data_27314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27314 _Entry.Title ; Acidothermus cellulolyticus endoglucanase 1 catalytic domain Y245G (E1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-16 _Entry.Accession_date 2017-11-16 _Entry.Last_release_date 2017-11-16 _Entry.Original_release_date 2017-11-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Chemical shifts (13C, 15N, 1H) for the backbone residues of the Y245G mutant of the catalytic domain of endoglucanase 1 (E1).' _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 Samantha Summers . R. . . 27314 2 Joel Kaar . L. . . 27314 3 Michael Summers . F. . . 27314 4 Jan Marchant . . . . 27314 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Kaar Lab; CU Boulder' . 27314 2 . 'Summers Lab; UMBC' . 27314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 803 27314 '15N chemical shifts' 247 27314 '1H chemical shifts' 247 27314 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-22 2017-11-16 update BMRB 'update entry citation' 27314 1 . . 2017-12-04 2017-11-16 original author 'original release' 27314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1ECE 'E1 catalytic domain, wild type (not containing Y245G mutation)' 27314 stop_ save_ ############### # Citations # ############### save_E1_ILs _Citation.Sf_category citations _Citation.Sf_framecode E1_ILs _Citation.Entry_ID 27314 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29120187 _Citation.Full_citation . _Citation.Title ; Mechanism of Competitive Inhibition and Destabilization of Acidothermus cellulolyticus Endoglucanase 1 by Ionic Liquids ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B' _Citation.Journal_name_full . _Citation.Journal_volume 121 _Citation.Journal_issue 48 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10793 _Citation.Page_last 10803 _Citation.Year 2017 _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 Samantha Summers . R. . . 27314 1 2 Kayla Sprenger . G. . . 27314 1 3 Jim Pfaendtner . . . . 27314 1 4 Jan Marchant . R. . . 27314 1 5 Michael Summers . . . . 27314 1 6 Joel Kaar . L. . . 27314 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1-butyl-3-methylimidazolium chloride' 27314 1 'Acidothermus cellulolyticus endocellulase E1' 27314 1 Cellulase 27314 1 HSQC 27314 1 'Ionic Liquid Inactivation' 27314 1 NMR 27314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27314 _Assembly.ID 1 _Assembly.Name 'E1 Y245G monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 40502 _Assembly.Enzyme_commission_number . _Assembly.Details 'monomeric E1 with Y245G mutation' _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 'E1 Y245G' 1 $E1_Y245G A . yes native no no . monomer . 27314 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 123 123 SG . . . . . . . . . . . . 27314 1 2 disulfide single . 1 . 1 CYS 171 171 SG . 1 . 1 CYS 174 174 SG . . . . . . . . . . . . 27314 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ECE . . X-ray 2.4 'monomer without Y245G mutation' 'Shift in residue-labeling scheme. 1ECE does not contain "MKL" starting residues.' 27314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E1_Y245G _Entity.Sf_category entity _Entity.Sf_framecode E1_Y245G _Entity.Entry_ID 27314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E1_Y245G _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 ; MKLAGGGYWHTSGREILDAN NVPVRIAGINWFGFETCNYV VHGLWSRDYRSMLDQIKSLG YNTIRLPYSDDILKPGTMPN SINFYQMNQDLQGLTSLQVM DKIVAYAGQIGLRIILDRHR PDCSGQSALWYTSSVSEATW ISDLQALAQRYKGNPTVVGF DLHNEPHDPACWGCGDPSID WRLAAERAGNAVLSVNPNLL IFVEGVQSYNGDSYWWGGNL QGAGQYPVVLNVPNRLVYSA HDYATSVGPQTWFSDPTFPN NMPGIWNKNWGYLFNQNIAP VWLGEFGTTLQSTTDQTWLK TLVQYLRPTAQYGADSFQWT FWSWNPDSGDTGGILKDDWQ TVDTVKDGYLAPIKSSIFDP V ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 361 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Y245G from wild-type E1' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40502 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; In publication, the naming scheme is based off of the PDB file 1ECE (lacks initial "MKL"). However, assignments are labeled according the the entered complete polymer sequence. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'endocellulose, without the cellulose binding module (CBM)' 27314 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27314 1 2 . LYS . 27314 1 3 . LEU . 27314 1 4 . ALA . 27314 1 5 . GLY . 27314 1 6 . GLY . 27314 1 7 . GLY . 27314 1 8 . TYR . 27314 1 9 . TRP . 27314 1 10 . HIS . 27314 1 11 . THR . 27314 1 12 . SER . 27314 1 13 . GLY . 27314 1 14 . ARG . 27314 1 15 . GLU . 27314 1 16 . ILE . 27314 1 17 . LEU . 27314 1 18 . ASP . 27314 1 19 . ALA . 27314 1 20 . ASN . 27314 1 21 . ASN . 27314 1 22 . VAL . 27314 1 23 . PRO . 27314 1 24 . VAL . 27314 1 25 . ARG . 27314 1 26 . ILE . 27314 1 27 . ALA . 27314 1 28 . GLY . 27314 1 29 . ILE . 27314 1 30 . ASN . 27314 1 31 . TRP . 27314 1 32 . PHE . 27314 1 33 . GLY . 27314 1 34 . PHE . 27314 1 35 . GLU . 27314 1 36 . THR . 27314 1 37 . CYS . 27314 1 38 . ASN . 27314 1 39 . TYR . 27314 1 40 . VAL . 27314 1 41 . VAL . 27314 1 42 . HIS . 27314 1 43 . GLY . 27314 1 44 . LEU . 27314 1 45 . TRP . 27314 1 46 . SER . 27314 1 47 . ARG . 27314 1 48 . ASP . 27314 1 49 . TYR . 27314 1 50 . ARG . 27314 1 51 . SER . 27314 1 52 . MET . 27314 1 53 . LEU . 27314 1 54 . ASP . 27314 1 55 . GLN . 27314 1 56 . ILE . 27314 1 57 . LYS . 27314 1 58 . SER . 27314 1 59 . LEU . 27314 1 60 . GLY . 27314 1 61 . TYR . 27314 1 62 . ASN . 27314 1 63 . THR . 27314 1 64 . ILE . 27314 1 65 . ARG . 27314 1 66 . LEU . 27314 1 67 . PRO . 27314 1 68 . TYR . 27314 1 69 . SER . 27314 1 70 . ASP . 27314 1 71 . ASP . 27314 1 72 . ILE . 27314 1 73 . LEU . 27314 1 74 . LYS . 27314 1 75 . PRO . 27314 1 76 . GLY . 27314 1 77 . THR . 27314 1 78 . MET . 27314 1 79 . PRO . 27314 1 80 . ASN . 27314 1 81 . SER . 27314 1 82 . ILE . 27314 1 83 . ASN . 27314 1 84 . PHE . 27314 1 85 . TYR . 27314 1 86 . GLN . 27314 1 87 . MET . 27314 1 88 . ASN . 27314 1 89 . GLN . 27314 1 90 . ASP . 27314 1 91 . LEU . 27314 1 92 . GLN . 27314 1 93 . GLY . 27314 1 94 . LEU . 27314 1 95 . THR . 27314 1 96 . SER . 27314 1 97 . LEU . 27314 1 98 . GLN . 27314 1 99 . VAL . 27314 1 100 . MET . 27314 1 101 . ASP . 27314 1 102 . LYS . 27314 1 103 . ILE . 27314 1 104 . VAL . 27314 1 105 . ALA . 27314 1 106 . TYR . 27314 1 107 . ALA . 27314 1 108 . GLY . 27314 1 109 . GLN . 27314 1 110 . ILE . 27314 1 111 . GLY . 27314 1 112 . LEU . 27314 1 113 . ARG . 27314 1 114 . ILE . 27314 1 115 . ILE . 27314 1 116 . LEU . 27314 1 117 . ASP . 27314 1 118 . ARG . 27314 1 119 . HIS . 27314 1 120 . ARG . 27314 1 121 . PRO . 27314 1 122 . ASP . 27314 1 123 . CYS . 27314 1 124 . SER . 27314 1 125 . GLY . 27314 1 126 . GLN . 27314 1 127 . SER . 27314 1 128 . ALA . 27314 1 129 . LEU . 27314 1 130 . TRP . 27314 1 131 . TYR . 27314 1 132 . THR . 27314 1 133 . SER . 27314 1 134 . SER . 27314 1 135 . VAL . 27314 1 136 . SER . 27314 1 137 . GLU . 27314 1 138 . ALA . 27314 1 139 . THR . 27314 1 140 . TRP . 27314 1 141 . ILE . 27314 1 142 . SER . 27314 1 143 . ASP . 27314 1 144 . LEU . 27314 1 145 . GLN . 27314 1 146 . ALA . 27314 1 147 . LEU . 27314 1 148 . ALA . 27314 1 149 . GLN . 27314 1 150 . ARG . 27314 1 151 . TYR . 27314 1 152 . LYS . 27314 1 153 . GLY . 27314 1 154 . ASN . 27314 1 155 . PRO . 27314 1 156 . THR . 27314 1 157 . VAL . 27314 1 158 . VAL . 27314 1 159 . GLY . 27314 1 160 . PHE . 27314 1 161 . ASP . 27314 1 162 . LEU . 27314 1 163 . HIS . 27314 1 164 . ASN . 27314 1 165 . GLU . 27314 1 166 . PRO . 27314 1 167 . HIS . 27314 1 168 . ASP . 27314 1 169 . PRO . 27314 1 170 . ALA . 27314 1 171 . CYS . 27314 1 172 . TRP . 27314 1 173 . GLY . 27314 1 174 . CYS . 27314 1 175 . GLY . 27314 1 176 . ASP . 27314 1 177 . PRO . 27314 1 178 . SER . 27314 1 179 . ILE . 27314 1 180 . ASP . 27314 1 181 . TRP . 27314 1 182 . ARG . 27314 1 183 . LEU . 27314 1 184 . ALA . 27314 1 185 . ALA . 27314 1 186 . GLU . 27314 1 187 . ARG . 27314 1 188 . ALA . 27314 1 189 . GLY . 27314 1 190 . ASN . 27314 1 191 . ALA . 27314 1 192 . VAL . 27314 1 193 . LEU . 27314 1 194 . SER . 27314 1 195 . VAL . 27314 1 196 . ASN . 27314 1 197 . PRO . 27314 1 198 . ASN . 27314 1 199 . LEU . 27314 1 200 . LEU . 27314 1 201 . ILE . 27314 1 202 . PHE . 27314 1 203 . VAL . 27314 1 204 . GLU . 27314 1 205 . GLY . 27314 1 206 . VAL . 27314 1 207 . GLN . 27314 1 208 . SER . 27314 1 209 . TYR . 27314 1 210 . ASN . 27314 1 211 . GLY . 27314 1 212 . ASP . 27314 1 213 . SER . 27314 1 214 . TYR . 27314 1 215 . TRP . 27314 1 216 . TRP . 27314 1 217 . GLY . 27314 1 218 . GLY . 27314 1 219 . ASN . 27314 1 220 . LEU . 27314 1 221 . GLN . 27314 1 222 . GLY . 27314 1 223 . ALA . 27314 1 224 . GLY . 27314 1 225 . GLN . 27314 1 226 . TYR . 27314 1 227 . PRO . 27314 1 228 . VAL . 27314 1 229 . VAL . 27314 1 230 . LEU . 27314 1 231 . ASN . 27314 1 232 . VAL . 27314 1 233 . PRO . 27314 1 234 . ASN . 27314 1 235 . ARG . 27314 1 236 . LEU . 27314 1 237 . VAL . 27314 1 238 . TYR . 27314 1 239 . SER . 27314 1 240 . ALA . 27314 1 241 . HIS . 27314 1 242 . ASP . 27314 1 243 . TYR . 27314 1 244 . ALA . 27314 1 245 . THR . 27314 1 246 . SER . 27314 1 247 . VAL . 27314 1 248 . GLY . 27314 1 249 . PRO . 27314 1 250 . GLN . 27314 1 251 . THR . 27314 1 252 . TRP . 27314 1 253 . PHE . 27314 1 254 . SER . 27314 1 255 . ASP . 27314 1 256 . PRO . 27314 1 257 . THR . 27314 1 258 . PHE . 27314 1 259 . PRO . 27314 1 260 . ASN . 27314 1 261 . ASN . 27314 1 262 . MET . 27314 1 263 . PRO . 27314 1 264 . GLY . 27314 1 265 . ILE . 27314 1 266 . TRP . 27314 1 267 . ASN . 27314 1 268 . LYS . 27314 1 269 . ASN . 27314 1 270 . TRP . 27314 1 271 . GLY . 27314 1 272 . TYR . 27314 1 273 . LEU . 27314 1 274 . PHE . 27314 1 275 . ASN . 27314 1 276 . GLN . 27314 1 277 . ASN . 27314 1 278 . ILE . 27314 1 279 . ALA . 27314 1 280 . PRO . 27314 1 281 . VAL . 27314 1 282 . TRP . 27314 1 283 . LEU . 27314 1 284 . GLY . 27314 1 285 . GLU . 27314 1 286 . PHE . 27314 1 287 . GLY . 27314 1 288 . THR . 27314 1 289 . THR . 27314 1 290 . LEU . 27314 1 291 . GLN . 27314 1 292 . SER . 27314 1 293 . THR . 27314 1 294 . THR . 27314 1 295 . ASP . 27314 1 296 . GLN . 27314 1 297 . THR . 27314 1 298 . TRP . 27314 1 299 . LEU . 27314 1 300 . LYS . 27314 1 301 . THR . 27314 1 302 . LEU . 27314 1 303 . VAL . 27314 1 304 . GLN . 27314 1 305 . TYR . 27314 1 306 . LEU . 27314 1 307 . ARG . 27314 1 308 . PRO . 27314 1 309 . THR . 27314 1 310 . ALA . 27314 1 311 . GLN . 27314 1 312 . TYR . 27314 1 313 . GLY . 27314 1 314 . ALA . 27314 1 315 . ASP . 27314 1 316 . SER . 27314 1 317 . PHE . 27314 1 318 . GLN . 27314 1 319 . TRP . 27314 1 320 . THR . 27314 1 321 . PHE . 27314 1 322 . TRP . 27314 1 323 . SER . 27314 1 324 . TRP . 27314 1 325 . ASN . 27314 1 326 . PRO . 27314 1 327 . ASP . 27314 1 328 . SER . 27314 1 329 . GLY . 27314 1 330 . ASP . 27314 1 331 . THR . 27314 1 332 . GLY . 27314 1 333 . GLY . 27314 1 334 . ILE . 27314 1 335 . LEU . 27314 1 336 . LYS . 27314 1 337 . ASP . 27314 1 338 . ASP . 27314 1 339 . TRP . 27314 1 340 . GLN . 27314 1 341 . THR . 27314 1 342 . VAL . 27314 1 343 . ASP . 27314 1 344 . THR . 27314 1 345 . VAL . 27314 1 346 . LYS . 27314 1 347 . ASP . 27314 1 348 . GLY . 27314 1 349 . TYR . 27314 1 350 . LEU . 27314 1 351 . ALA . 27314 1 352 . PRO . 27314 1 353 . ILE . 27314 1 354 . LYS . 27314 1 355 . SER . 27314 1 356 . SER . 27314 1 357 . ILE . 27314 1 358 . PHE . 27314 1 359 . ASP . 27314 1 360 . PRO . 27314 1 361 . VAL . 27314 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27314 1 . LYS 2 2 27314 1 . LEU 3 3 27314 1 . ALA 4 4 27314 1 . GLY 5 5 27314 1 . GLY 6 6 27314 1 . GLY 7 7 27314 1 . TYR 8 8 27314 1 . TRP 9 9 27314 1 . HIS 10 10 27314 1 . THR 11 11 27314 1 . SER 12 12 27314 1 . GLY 13 13 27314 1 . ARG 14 14 27314 1 . GLU 15 15 27314 1 . ILE 16 16 27314 1 . LEU 17 17 27314 1 . ASP 18 18 27314 1 . ALA 19 19 27314 1 . ASN 20 20 27314 1 . ASN 21 21 27314 1 . VAL 22 22 27314 1 . PRO 23 23 27314 1 . VAL 24 24 27314 1 . ARG 25 25 27314 1 . ILE 26 26 27314 1 . ALA 27 27 27314 1 . GLY 28 28 27314 1 . ILE 29 29 27314 1 . ASN 30 30 27314 1 . TRP 31 31 27314 1 . PHE 32 32 27314 1 . GLY 33 33 27314 1 . PHE 34 34 27314 1 . GLU 35 35 27314 1 . THR 36 36 27314 1 . CYS 37 37 27314 1 . ASN 38 38 27314 1 . TYR 39 39 27314 1 . VAL 40 40 27314 1 . VAL 41 41 27314 1 . HIS 42 42 27314 1 . GLY 43 43 27314 1 . LEU 44 44 27314 1 . TRP 45 45 27314 1 . SER 46 46 27314 1 . ARG 47 47 27314 1 . ASP 48 48 27314 1 . TYR 49 49 27314 1 . ARG 50 50 27314 1 . SER 51 51 27314 1 . MET 52 52 27314 1 . LEU 53 53 27314 1 . ASP 54 54 27314 1 . GLN 55 55 27314 1 . ILE 56 56 27314 1 . LYS 57 57 27314 1 . SER 58 58 27314 1 . LEU 59 59 27314 1 . GLY 60 60 27314 1 . TYR 61 61 27314 1 . ASN 62 62 27314 1 . THR 63 63 27314 1 . ILE 64 64 27314 1 . ARG 65 65 27314 1 . LEU 66 66 27314 1 . PRO 67 67 27314 1 . TYR 68 68 27314 1 . SER 69 69 27314 1 . ASP 70 70 27314 1 . ASP 71 71 27314 1 . ILE 72 72 27314 1 . LEU 73 73 27314 1 . LYS 74 74 27314 1 . PRO 75 75 27314 1 . GLY 76 76 27314 1 . THR 77 77 27314 1 . MET 78 78 27314 1 . PRO 79 79 27314 1 . ASN 80 80 27314 1 . SER 81 81 27314 1 . ILE 82 82 27314 1 . ASN 83 83 27314 1 . PHE 84 84 27314 1 . TYR 85 85 27314 1 . GLN 86 86 27314 1 . MET 87 87 27314 1 . ASN 88 88 27314 1 . GLN 89 89 27314 1 . ASP 90 90 27314 1 . LEU 91 91 27314 1 . GLN 92 92 27314 1 . GLY 93 93 27314 1 . LEU 94 94 27314 1 . THR 95 95 27314 1 . SER 96 96 27314 1 . LEU 97 97 27314 1 . GLN 98 98 27314 1 . VAL 99 99 27314 1 . MET 100 100 27314 1 . ASP 101 101 27314 1 . LYS 102 102 27314 1 . ILE 103 103 27314 1 . VAL 104 104 27314 1 . ALA 105 105 27314 1 . TYR 106 106 27314 1 . ALA 107 107 27314 1 . GLY 108 108 27314 1 . GLN 109 109 27314 1 . ILE 110 110 27314 1 . GLY 111 111 27314 1 . LEU 112 112 27314 1 . ARG 113 113 27314 1 . ILE 114 114 27314 1 . ILE 115 115 27314 1 . LEU 116 116 27314 1 . ASP 117 117 27314 1 . ARG 118 118 27314 1 . HIS 119 119 27314 1 . ARG 120 120 27314 1 . PRO 121 121 27314 1 . ASP 122 122 27314 1 . CYS 123 123 27314 1 . SER 124 124 27314 1 . GLY 125 125 27314 1 . GLN 126 126 27314 1 . SER 127 127 27314 1 . ALA 128 128 27314 1 . LEU 129 129 27314 1 . TRP 130 130 27314 1 . TYR 131 131 27314 1 . THR 132 132 27314 1 . SER 133 133 27314 1 . SER 134 134 27314 1 . VAL 135 135 27314 1 . SER 136 136 27314 1 . GLU 137 137 27314 1 . ALA 138 138 27314 1 . THR 139 139 27314 1 . TRP 140 140 27314 1 . ILE 141 141 27314 1 . SER 142 142 27314 1 . ASP 143 143 27314 1 . LEU 144 144 27314 1 . GLN 145 145 27314 1 . ALA 146 146 27314 1 . LEU 147 147 27314 1 . ALA 148 148 27314 1 . GLN 149 149 27314 1 . ARG 150 150 27314 1 . TYR 151 151 27314 1 . LYS 152 152 27314 1 . GLY 153 153 27314 1 . ASN 154 154 27314 1 . PRO 155 155 27314 1 . THR 156 156 27314 1 . VAL 157 157 27314 1 . VAL 158 158 27314 1 . GLY 159 159 27314 1 . PHE 160 160 27314 1 . ASP 161 161 27314 1 . LEU 162 162 27314 1 . HIS 163 163 27314 1 . ASN 164 164 27314 1 . GLU 165 165 27314 1 . PRO 166 166 27314 1 . HIS 167 167 27314 1 . ASP 168 168 27314 1 . PRO 169 169 27314 1 . ALA 170 170 27314 1 . CYS 171 171 27314 1 . TRP 172 172 27314 1 . GLY 173 173 27314 1 . CYS 174 174 27314 1 . GLY 175 175 27314 1 . ASP 176 176 27314 1 . PRO 177 177 27314 1 . SER 178 178 27314 1 . ILE 179 179 27314 1 . ASP 180 180 27314 1 . TRP 181 181 27314 1 . ARG 182 182 27314 1 . LEU 183 183 27314 1 . ALA 184 184 27314 1 . ALA 185 185 27314 1 . GLU 186 186 27314 1 . ARG 187 187 27314 1 . ALA 188 188 27314 1 . GLY 189 189 27314 1 . ASN 190 190 27314 1 . ALA 191 191 27314 1 . VAL 192 192 27314 1 . LEU 193 193 27314 1 . SER 194 194 27314 1 . VAL 195 195 27314 1 . ASN 196 196 27314 1 . PRO 197 197 27314 1 . ASN 198 198 27314 1 . LEU 199 199 27314 1 . LEU 200 200 27314 1 . ILE 201 201 27314 1 . PHE 202 202 27314 1 . VAL 203 203 27314 1 . GLU 204 204 27314 1 . GLY 205 205 27314 1 . VAL 206 206 27314 1 . GLN 207 207 27314 1 . SER 208 208 27314 1 . TYR 209 209 27314 1 . ASN 210 210 27314 1 . GLY 211 211 27314 1 . ASP 212 212 27314 1 . SER 213 213 27314 1 . TYR 214 214 27314 1 . TRP 215 215 27314 1 . TRP 216 216 27314 1 . GLY 217 217 27314 1 . GLY 218 218 27314 1 . ASN 219 219 27314 1 . LEU 220 220 27314 1 . GLN 221 221 27314 1 . GLY 222 222 27314 1 . ALA 223 223 27314 1 . GLY 224 224 27314 1 . GLN 225 225 27314 1 . TYR 226 226 27314 1 . PRO 227 227 27314 1 . VAL 228 228 27314 1 . VAL 229 229 27314 1 . LEU 230 230 27314 1 . ASN 231 231 27314 1 . VAL 232 232 27314 1 . PRO 233 233 27314 1 . ASN 234 234 27314 1 . ARG 235 235 27314 1 . LEU 236 236 27314 1 . VAL 237 237 27314 1 . TYR 238 238 27314 1 . SER 239 239 27314 1 . ALA 240 240 27314 1 . HIS 241 241 27314 1 . ASP 242 242 27314 1 . TYR 243 243 27314 1 . ALA 244 244 27314 1 . THR 245 245 27314 1 . SER 246 246 27314 1 . VAL 247 247 27314 1 . GLY 248 248 27314 1 . PRO 249 249 27314 1 . GLN 250 250 27314 1 . THR 251 251 27314 1 . TRP 252 252 27314 1 . PHE 253 253 27314 1 . SER 254 254 27314 1 . ASP 255 255 27314 1 . PRO 256 256 27314 1 . THR 257 257 27314 1 . PHE 258 258 27314 1 . PRO 259 259 27314 1 . ASN 260 260 27314 1 . ASN 261 261 27314 1 . MET 262 262 27314 1 . PRO 263 263 27314 1 . GLY 264 264 27314 1 . ILE 265 265 27314 1 . TRP 266 266 27314 1 . ASN 267 267 27314 1 . LYS 268 268 27314 1 . ASN 269 269 27314 1 . TRP 270 270 27314 1 . GLY 271 271 27314 1 . TYR 272 272 27314 1 . LEU 273 273 27314 1 . PHE 274 274 27314 1 . ASN 275 275 27314 1 . GLN 276 276 27314 1 . ASN 277 277 27314 1 . ILE 278 278 27314 1 . ALA 279 279 27314 1 . PRO 280 280 27314 1 . VAL 281 281 27314 1 . TRP 282 282 27314 1 . LEU 283 283 27314 1 . GLY 284 284 27314 1 . GLU 285 285 27314 1 . PHE 286 286 27314 1 . GLY 287 287 27314 1 . THR 288 288 27314 1 . THR 289 289 27314 1 . LEU 290 290 27314 1 . GLN 291 291 27314 1 . SER 292 292 27314 1 . THR 293 293 27314 1 . THR 294 294 27314 1 . ASP 295 295 27314 1 . GLN 296 296 27314 1 . THR 297 297 27314 1 . TRP 298 298 27314 1 . LEU 299 299 27314 1 . LYS 300 300 27314 1 . THR 301 301 27314 1 . LEU 302 302 27314 1 . VAL 303 303 27314 1 . GLN 304 304 27314 1 . TYR 305 305 27314 1 . LEU 306 306 27314 1 . ARG 307 307 27314 1 . PRO 308 308 27314 1 . THR 309 309 27314 1 . ALA 310 310 27314 1 . GLN 311 311 27314 1 . TYR 312 312 27314 1 . GLY 313 313 27314 1 . ALA 314 314 27314 1 . ASP 315 315 27314 1 . SER 316 316 27314 1 . PHE 317 317 27314 1 . GLN 318 318 27314 1 . TRP 319 319 27314 1 . THR 320 320 27314 1 . PHE 321 321 27314 1 . TRP 322 322 27314 1 . SER 323 323 27314 1 . TRP 324 324 27314 1 . ASN 325 325 27314 1 . PRO 326 326 27314 1 . ASP 327 327 27314 1 . SER 328 328 27314 1 . GLY 329 329 27314 1 . ASP 330 330 27314 1 . THR 331 331 27314 1 . GLY 332 332 27314 1 . GLY 333 333 27314 1 . ILE 334 334 27314 1 . LEU 335 335 27314 1 . LYS 336 336 27314 1 . ASP 337 337 27314 1 . ASP 338 338 27314 1 . TRP 339 339 27314 1 . GLN 340 340 27314 1 . THR 341 341 27314 1 . VAL 342 342 27314 1 . ASP 343 343 27314 1 . THR 344 344 27314 1 . VAL 345 345 27314 1 . LYS 346 346 27314 1 . ASP 347 347 27314 1 . GLY 348 348 27314 1 . TYR 349 349 27314 1 . LEU 350 350 27314 1 . ALA 351 351 27314 1 . PRO 352 352 27314 1 . ILE 353 353 27314 1 . LYS 354 354 27314 1 . SER 355 355 27314 1 . SER 356 356 27314 1 . ILE 357 357 27314 1 . PHE 358 358 27314 1 . ASP 359 359 27314 1 . PRO 360 360 27314 1 . VAL 361 361 27314 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27314 _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 $E1_Y245G . 28049 organism . 'Acidothermus cellulolyticus' 'Acidothermus cellulolyticus' . . Bacteria . Acidothermus cellulolyticus . . . . . . . . . . . . . 27314 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27314 _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 $E1_Y245G . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-21 . . . 27314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_E1_Y245G_sample _Sample.Sf_category sample _Sample.Sf_framecode E1_Y245G_sample _Sample.Entry_ID 27314 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Final sample conditions: after E1 was eluted (~ 25 mM Na phosphate pH 8.0), E1 was briefly dialyzed (1 hr, 20 mL sample, 8 L buffer) into 10 mM citrate pH 5.0 buffer. Final pH of sample was ~ 7.20. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'E1 Y245G' '[U-13C; U-15N]' . . 1 $E1_Y245G . . 150 100 200 mM . . . . 27314 1 2 'Na phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27314 1 stop_ save_ ####################### # Sample conditions # ####################### save_E1_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode E1_sample_conditions _Sample_condition_list.Entry_ID 27314 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Final sample conditions: after E1 was eluted (~ 25 mM Na phosphate pH 8.0; phosphate buffer was prepared using sodium phosphate dibasic anhydrous and then changing the pH with HCl to the desired value), E1 was briefly dialyzed (1 hr, 20 mL sample, 8 L buffer) into 10 mM citrate pH 5.0 buffer. Final pH of sample was ~ 7.20. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 27314 1 pH 7.2 . pH 27314 1 pressure 1 . atm 27314 1 temperature 273 . K 27314 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRFx_Processor_and_NMRViewJ _Software.Sf_category software _Software.Sf_framecode NMRFx_Processor_and_NMRViewJ _Software.Entry_ID 27314 _Software.ID 1 _Software.Type . _Software.Name NMRFx_Processor_and_NMRViewJ _Software.Version . _Software.DOI . _Software.Details 'From OneMoonScientific' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruce Johnson' . . 27314 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 27314 1 processing 27314 1 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 27314 _Software.ID 2 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Markus Zweckstetter' . . 27314 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27314 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27314 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Arash Bahrami' . . 27314 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27314 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_800 _NMR_spectrometer.Entry_ID 27314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27314 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_800 Bruker Avance . 800 . . . 27314 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27314 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $E1_Y245G_sample isotropic . . 1 $E1_sample_conditions . . . 1 $Bruker_800 . . . . . . . . . . . . . . . . 27314 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $E1_Y245G_sample isotropic . . 1 $E1_sample_conditions . . . 1 $Bruker_800 . . . . . . . . . . . . . . . . 27314 1 3 '3D HNCO' no . . . . . . . . . . 1 $E1_Y245G_sample isotropic . . 1 $E1_sample_conditions . . . 1 $Bruker_800 . . . . . . . . . . . . . . . . 27314 1 4 '3D HNCA' no . . . . . . . . . . 1 $E1_Y245G_sample isotropic . . 1 $E1_sample_conditions . . . 1 $Bruker_800 . . . . . . . . . . . . . . . . 27314 1 5 '3D HNCACB' no . . . . . . . . . . 1 $E1_Y245G_sample isotropic . . 1 $E1_sample_conditions . . . 1 $Bruker_800 . . . . . . . . . . . . . . . . 27314 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $E1_Y245G_sample isotropic . . 1 $E1_sample_conditions . . . 1 $Bruker_800 . . . . . . . . . . . . . . . . 27314 1 7 '3D HCACO' no . . . . . . . . . . 1 $E1_Y245G_sample isotropic . . 1 $E1_sample_conditions . . . 1 $Bruker_800 . . . . . . . . . . . . . . . . 27314 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_E1_Y245G_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode E1_Y245G_chemical_shift_reference _Chem_shift_reference.Entry_ID 27314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift of internal water reference was used to establish all chemical shifts. Water chemical shift relative to TMS was 4.496667 at 323 K. ; 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' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27314 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27314 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27314 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_E1_Y245G_assignments _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode E1_Y245G_assignments _Assigned_chem_shift_list.Entry_ID 27314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $E1_sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $E1_Y245G_chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27314 1 2 '3D CBCA(CO)NH' . . . 27314 1 3 '3D HNCO' . . . 27314 1 4 '3D HNCA' . . . 27314 1 5 '3D HNCACB' . . . 27314 1 6 '3D HN(CO)CA' . . . 27314 1 7 '3D HCACO' . . . 27314 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY C C 13 172.9863 0.0000 . 1 . . . . . 7 GLY C . 27314 1 2 . 1 1 7 7 GLY CA C 13 44.7663 0.0000 . 1 . . . . . 7 GLY CA . 27314 1 3 . 1 1 8 8 TYR H H 1 7.8766 0.0000 . 1 . . 50221 . . 8 TYR H . 27314 1 4 . 1 1 8 8 TYR C C 13 176.7498 0.0000 . 1 . . . . . 8 TYR C . 27314 1 5 . 1 1 8 8 TYR CA C 13 60.6702 0.0000 . 1 . . . . . 8 TYR CA . 27314 1 6 . 1 1 8 8 TYR CB C 13 39.6277 0.0000 . 1 . . . . . 8 TYR CB . 27314 1 7 . 1 1 8 8 TYR N N 15 115.2697 0.0000 . 1 . . 50222 . . 8 TYR N . 27314 1 8 . 1 1 9 9 TRP H H 1 8.7460 0.0000 . 1 . . 51655 . . 9 TRP H . 27314 1 9 . 1 1 9 9 TRP C C 13 175.1556 0.0000 . 1 . . . . . 9 TRP C . 27314 1 10 . 1 1 9 9 TRP CA C 13 54.2692 0.0000 . 1 . . . . . 9 TRP CA . 27314 1 11 . 1 1 9 9 TRP CB C 13 32.7788 0.0000 . 1 . . . . . 9 TRP CB . 27314 1 12 . 1 1 9 9 TRP N N 15 122.6154 0.0000 . 1 . . 51656 . . 9 TRP N . 27314 1 13 . 1 1 10 10 HIS H H 1 9.0672 0.0000 . 1 . . 50776 . . 10 HIS H . 27314 1 14 . 1 1 10 10 HIS C C 13 172.4842 0.0000 . 1 . . . . . 10 HIS C . 27314 1 15 . 1 1 10 10 HIS CA C 13 54.6580 0.0000 . 1 . . . . . 10 HIS CA . 27314 1 16 . 1 1 10 10 HIS CB C 13 32.5506 0.0000 . 1 . . . . . 10 HIS CB . 27314 1 17 . 1 1 10 10 HIS N N 15 111.6961 0.0000 . 1 . . 50777 . . 10 HIS N . 27314 1 18 . 1 1 11 11 THR H H 1 8.2090 0.0000 . 1 . . 50785 . . 11 THR H . 27314 1 19 . 1 1 11 11 THR C C 13 174.4431 0.0000 . 1 . . . . . 11 THR C . 27314 1 20 . 1 1 11 11 THR CA C 13 60.5381 0.0000 . 1 . . . . . 11 THR CA . 27314 1 21 . 1 1 11 11 THR CB C 13 69.8966 0.0000 . 1 . . . . . 11 THR CB . 27314 1 22 . 1 1 11 11 THR N N 15 109.9159 0.0000 . 1 . . 50786 . . 11 THR N . 27314 1 23 . 1 1 12 12 SER H H 1 8.5445 0.0000 . 1 . . 50332 . . 12 SER H . 27314 1 24 . 1 1 12 12 SER C C 13 175.3377 0.0000 . 1 . . . . . 12 SER C . 27314 1 25 . 1 1 12 12 SER CA C 13 57.6142 0.0000 . 1 . . . . . 12 SER CA . 27314 1 26 . 1 1 12 12 SER CB C 13 63.6400 0.0000 . 1 . . . . . 12 SER CB . 27314 1 27 . 1 1 12 12 SER N N 15 114.1824 0.0000 . 1 . . 50333 . . 12 SER N . 27314 1 28 . 1 1 13 13 GLY C C 13 173.8653 0.0000 . 1 . . . . . 13 GLY C . 27314 1 29 . 1 1 13 13 GLY CA C 13 47.1088 0.0000 . 1 . . . . . 13 GLY CA . 27314 1 30 . 1 1 14 14 ARG H H 1 8.2577 0.0000 . 1 . . 51841 . . 14 ARG H . 27314 1 31 . 1 1 14 14 ARG C C 13 173.0571 0.0000 . 1 . . . . . 14 ARG C . 27314 1 32 . 1 1 14 14 ARG CA C 13 54.6030 0.0000 . 1 . . . . . 14 ARG CA . 27314 1 33 . 1 1 14 14 ARG CB C 13 30.9748 0.0000 . 1 . . . . . 14 ARG CB . 27314 1 34 . 1 1 14 14 ARG N N 15 123.8933 0.0000 . 1 . . 51842 . . 14 ARG N . 27314 1 35 . 1 1 15 15 GLU H H 1 7.7319 0.0000 . 1 . . 49663 . . 15 GLU H . 27314 1 36 . 1 1 15 15 GLU C C 13 174.9158 0.0000 . 1 . . . . . 15 GLU C . 27314 1 37 . 1 1 15 15 GLU CA C 13 54.9935 0.0000 . 1 . . . . . 15 GLU CA . 27314 1 38 . 1 1 15 15 GLU CB C 13 33.8425 0.0000 . 1 . . . . . 15 GLU CB . 27314 1 39 . 1 1 15 15 GLU N N 15 119.8861 0.0000 . 1 . . 49664 . . 15 GLU N . 27314 1 40 . 1 1 16 16 ILE H H 1 8.8587 0.0000 . 1 . . 51712 . . 16 ILE H . 27314 1 41 . 1 1 16 16 ILE C C 13 172.9850 0.0000 . 1 . . . . . 16 ILE C . 27314 1 42 . 1 1 16 16 ILE CA C 13 61.1608 0.0000 . 1 . . . . . 16 ILE CA . 27314 1 43 . 1 1 16 16 ILE CB C 13 38.6077 0.0000 . 1 . . . . . 16 ILE CB . 27314 1 44 . 1 1 16 16 ILE N N 15 120.8337 0.0000 . 1 . . 51713 . . 16 ILE N . 27314 1 45 . 1 1 17 17 LEU H H 1 8.6340 0.0000 . 1 . . 48997 . . 17 LEU H . 27314 1 46 . 1 1 17 17 LEU C C 13 174.9850 0.0000 . 1 . . . . . 17 LEU C . 27314 1 47 . 1 1 17 17 LEU CA C 13 52.5483 0.0000 . 1 . . . . . 17 LEU CA . 27314 1 48 . 1 1 17 17 LEU CB C 13 45.7464 0.0000 . 1 . . . . . 17 LEU CB . 27314 1 49 . 1 1 17 17 LEU N N 15 125.3341 0.0000 . 1 . . 48998 . . 17 LEU N . 27314 1 50 . 1 1 18 18 ASP H H 1 8.0155 0.0000 . 1 . . 50125 . . 18 ASP H . 27314 1 51 . 1 1 18 18 ASP C C 13 177.8113 0.0000 . 1 . . . . . 18 ASP C . 27314 1 52 . 1 1 18 18 ASP CA C 13 51.8766 0.0000 . 1 . . . . . 18 ASP CA . 27314 1 53 . 1 1 18 18 ASP CB C 13 40.9394 0.0000 . 1 . . . . . 18 ASP CB . 27314 1 54 . 1 1 18 18 ASP N N 15 117.3976 0.0000 . 1 . . 50126 . . 18 ASP N . 27314 1 55 . 1 1 19 19 ALA H H 1 7.8107 0.0000 . 1 . . 50716 . . 19 ALA H . 27314 1 56 . 1 1 19 19 ALA C C 13 179.3432 0.0000 . 1 . . . . . 19 ALA C . 27314 1 57 . 1 1 19 19 ALA CA C 13 54.8842 0.0000 . 1 . . . . . 19 ALA CA . 27314 1 58 . 1 1 19 19 ALA CB C 13 18.9473 0.0000 . 1 . . . . . 19 ALA CB . 27314 1 59 . 1 1 19 19 ALA N N 15 117.6437 0.0000 . 1 . . 50717 . . 19 ALA N . 27314 1 60 . 1 1 20 20 ASN H H 1 8.6474 0.0000 . 1 . . 50035 . . 20 ASN H . 27314 1 61 . 1 1 20 20 ASN C C 13 174.4255 0.0000 . 1 . . . . . 20 ASN C . 27314 1 62 . 1 1 20 20 ASN CA C 13 52.6712 0.0000 . 1 . . . . . 20 ASN CA . 27314 1 63 . 1 1 20 20 ASN CB C 13 39.0138 0.0000 . 1 . . . . . 20 ASN CB . 27314 1 64 . 1 1 20 20 ASN N N 15 116.7731 0.0000 . 1 . . 50036 . . 20 ASN N . 27314 1 65 . 1 1 21 21 ASN H H 1 8.6430 0.0000 . 1 . . 50719 . . 21 ASN H . 27314 1 66 . 1 1 21 21 ASN C C 13 173.3086 0.0000 . 1 . . . . . 21 ASN C . 27314 1 67 . 1 1 21 21 ASN CA C 13 54.9385 0.0000 . 1 . . . . . 21 ASN CA . 27314 1 68 . 1 1 21 21 ASN CB C 13 36.0297 0.0000 . 1 . . . . . 21 ASN CB . 27314 1 69 . 1 1 21 21 ASN N N 15 114.6355 0.0000 . 1 . . 50720 . . 21 ASN N . 27314 1 70 . 1 1 22 22 VAL H H 1 8.4936 0.0000 . 1 . . 50725 . . 22 VAL H . 27314 1 71 . 1 1 22 22 VAL C C 13 174.7014 0.0000 . 1 . . . . . 22 VAL C . 27314 1 72 . 1 1 22 22 VAL CA C 13 60.6004 0.0000 . 1 . . . . . 22 VAL CA . 27314 1 73 . 1 1 22 22 VAL CB C 13 32.1942 0.0000 . 1 . . . . . 22 VAL CB . 27314 1 74 . 1 1 22 22 VAL N N 15 124.0955 0.0000 . 1 . . 50726 . . 22 VAL N . 27314 1 75 . 1 1 23 23 PRO C C 13 176.3011 0.0000 . 1 . . . . . 23 PRO C . 27314 1 76 . 1 1 23 23 PRO CA C 13 62.7031 0.0000 . 1 . . . . . 23 PRO CA . 27314 1 77 . 1 1 23 23 PRO CB C 13 32.9127 0.0000 . 1 . . . . . 23 PRO CB . 27314 1 78 . 1 1 24 24 VAL H H 1 8.6679 0.0000 . 1 . . 49942 . . 24 VAL H . 27314 1 79 . 1 1 24 24 VAL C C 13 172.6300 0.0000 . 1 . . . . . 24 VAL C . 27314 1 80 . 1 1 24 24 VAL CA C 13 59.1347 0.0000 . 1 . . . . . 24 VAL CA . 27314 1 81 . 1 1 24 24 VAL CB C 13 35.6104 0.0000 . 1 . . . . . 24 VAL CB . 27314 1 82 . 1 1 24 24 VAL N N 15 117.6758 0.0000 . 1 . . 49943 . . 24 VAL N . 27314 1 83 . 1 1 25 25 ARG H H 1 7.7433 0.0000 . 1 . . 50740 . . 25 ARG H . 27314 1 84 . 1 1 25 25 ARG C C 13 175.9497 0.0000 . 1 . . . . . 25 ARG C . 27314 1 85 . 1 1 25 25 ARG CA C 13 54.1041 0.0000 . 1 . . . . . 25 ARG CA . 27314 1 86 . 1 1 25 25 ARG CB C 13 34.4466 0.0000 . 1 . . . . . 25 ARG CB . 27314 1 87 . 1 1 25 25 ARG N N 15 119.8304 0.0000 . 1 . . 50741 . . 25 ARG N . 27314 1 88 . 1 1 26 26 ILE H H 1 9.6032 0.0000 . 1 . . 50743 . . 26 ILE H . 27314 1 89 . 1 1 26 26 ILE C C 13 174.3997 0.0000 . 1 . . . . . 26 ILE C . 27314 1 90 . 1 1 26 26 ILE CA C 13 63.3325 0.0000 . 1 . . . . . 26 ILE CA . 27314 1 91 . 1 1 26 26 ILE CB C 13 38.4737 0.0000 . 1 . . . . . 26 ILE CB . 27314 1 92 . 1 1 26 26 ILE N N 15 130.3380 0.0000 . 1 . . 50744 . . 26 ILE N . 27314 1 93 . 1 1 27 27 ALA H H 1 8.6907 0.0000 . 1 . . 50695 . . 27 ALA H . 27314 1 94 . 1 1 27 27 ALA C C 13 177.4201 0.0000 . 1 . . . . . 27 ALA C . 27314 1 95 . 1 1 27 27 ALA CA C 13 50.3510 0.0000 . 1 . . . . . 27 ALA CA . 27314 1 96 . 1 1 27 27 ALA CB C 13 19.6053 0.0000 . 1 . . . . . 27 ALA CB . 27314 1 97 . 1 1 27 27 ALA N N 15 101.4780 0.0000 . 1 . . 50696 . . 27 ALA N . 27314 1 98 . 1 1 28 28 GLY H H 1 7.9080 0.0000 . 1 . . 50752 . . 28 GLY H . 27314 1 99 . 1 1 28 28 GLY C C 13 172.1880 0.0000 . 1 . . . . . 28 GLY C . 27314 1 100 . 1 1 28 28 GLY CA C 13 46.3137 0.0000 . 1 . . . . . 28 GLY CA . 27314 1 101 . 1 1 28 28 GLY N N 15 107.6160 0.0000 . 1 . . 50753 . . 28 GLY N . 27314 1 102 . 1 1 43 43 GLY C C 13 174.7757 0.0000 . 1 . . . . . 43 GLY C . 27314 1 103 . 1 1 43 43 GLY CA C 13 42.8961 0.0000 . 1 . . . . . 43 GLY CA . 27314 1 104 . 1 1 44 44 LEU H H 1 8.1787 0.0000 . 1 . . 49624 . . 44 LEU H . 27314 1 105 . 1 1 44 44 LEU C C 13 176.0605 0.0000 . 1 . . . . . 44 LEU C . 27314 1 106 . 1 1 44 44 LEU CA C 13 54.6034 0.0000 . 1 . . . . . 44 LEU CA . 27314 1 107 . 1 1 44 44 LEU CB C 13 38.9433 0.0000 . 1 . . . . . 44 LEU CB . 27314 1 108 . 1 1 44 44 LEU N N 15 120.1006 0.0000 . 1 . . 49625 . . 44 LEU N . 27314 1 109 . 1 1 45 45 TRP H H 1 6.2777 0.0000 . 1 . . 50824 . . 45 TRP H . 27314 1 110 . 1 1 45 45 TRP C C 13 176.3679 0.0000 . 1 . . . . . 45 TRP C . 27314 1 111 . 1 1 45 45 TRP CA C 13 57.1788 0.0000 . 1 . . . . . 45 TRP CA . 27314 1 112 . 1 1 45 45 TRP CB C 13 26.8045 0.0000 . 1 . . . . . 45 TRP CB . 27314 1 113 . 1 1 45 45 TRP N N 15 112.6351 0.0000 . 1 . . 50825 . . 45 TRP N . 27314 1 114 . 1 1 46 46 SER H H 1 6.6199 0.0000 . 1 . . 50212 . . 46 SER H . 27314 1 115 . 1 1 46 46 SER C C 13 172.4741 0.0000 . 1 . . . . . 46 SER C . 27314 1 116 . 1 1 46 46 SER CA C 13 58.8103 0.0000 . 1 . . . . . 46 SER CA . 27314 1 117 . 1 1 46 46 SER CB C 13 66.4916 0.0000 . 1 . . . . . 46 SER CB . 27314 1 118 . 1 1 46 46 SER N N 15 115.3183 0.0000 . 1 . . 50213 . . 46 SER N . 27314 1 119 . 1 1 47 47 ARG H H 1 7.4531 0.0000 . 1 . . 49555 . . 47 ARG H . 27314 1 120 . 1 1 47 47 ARG C C 13 174.5915 0.0000 . 1 . . . . . 47 ARG C . 27314 1 121 . 1 1 47 47 ARG CA C 13 52.0778 0.0000 . 1 . . . . . 47 ARG CA . 27314 1 122 . 1 1 47 47 ARG CB C 13 33.0927 0.0000 . 1 . . . . . 47 ARG CB . 27314 1 123 . 1 1 47 47 ARG N N 15 119.9211 0.0000 . 1 . . 49556 . . 47 ARG N . 27314 1 124 . 1 1 48 48 ASP H H 1 8.2027 0.0000 . 1 . . 51481 . . 48 ASP H . 27314 1 125 . 1 1 48 48 ASP C C 13 179.4982 0.0000 . 1 . . . . . 48 ASP C . 27314 1 126 . 1 1 48 48 ASP CA C 13 53.1334 0.0000 . 1 . . . . . 48 ASP CA . 27314 1 127 . 1 1 48 48 ASP CB C 13 45.6680 0.0000 . 1 . . . . . 48 ASP CB . 27314 1 128 . 1 1 48 48 ASP N N 15 118.7834 0.0000 . 1 . . 51482 . . 48 ASP N . 27314 1 129 . 1 1 49 49 TYR H H 1 9.6748 0.0000 . 1 . . . . . 49 TYR H . 27314 1 130 . 1 1 49 49 TYR C C 13 175.7140 0.0000 . 1 . . . . . 49 TYR C . 27314 1 131 . 1 1 49 49 TYR CA C 13 61.5237 0.0000 . 1 . . . . . 49 TYR CA . 27314 1 132 . 1 1 49 49 TYR CB C 13 37.5797 0.0000 . 1 . . . . . 49 TYR CB . 27314 1 133 . 1 1 49 49 TYR N N 15 126.5380 0.0000 . 1 . . . . . 49 TYR N . 27314 1 134 . 1 1 50 50 ARG H H 1 7.3137 0.0000 . 1 . . 50137 . . 50 ARG H . 27314 1 135 . 1 1 50 50 ARG C C 13 177.6624 0.0000 . 1 . . . . . 50 ARG C . 27314 1 136 . 1 1 50 50 ARG CA C 13 58.8491 0.0000 . 1 . . . . . 50 ARG CA . 27314 1 137 . 1 1 50 50 ARG CB C 13 28.5575 0.0000 . 1 . . . . . 50 ARG CB . 27314 1 138 . 1 1 50 50 ARG N N 15 122.5519 0.0000 . 1 . . 50138 . . 50 ARG N . 27314 1 139 . 1 1 51 51 SER H H 1 6.9937 0.0000 . 1 . . 50845 . . 51 SER H . 27314 1 140 . 1 1 51 51 SER C C 13 178.7020 0.0000 . 1 . . . . . 51 SER C . 27314 1 141 . 1 1 51 51 SER CA C 13 60.7009 0.0000 . 1 . . . . . 51 SER CA . 27314 1 142 . 1 1 51 51 SER CB C 13 63.4995 0.0000 . 1 . . . . . 51 SER CB . 27314 1 143 . 1 1 51 51 SER N N 15 112.3958 0.0000 . 1 . . 50846 . . 51 SER N . 27314 1 144 . 1 1 52 52 MET H H 1 8.0308 0.0000 . 1 . . 50848 . . 52 MET H . 27314 1 145 . 1 1 52 52 MET C C 13 177.0551 0.0000 . 1 . . . . . 52 MET C . 27314 1 146 . 1 1 52 52 MET CA C 13 59.4000 0.0000 . 1 . . . . . 52 MET CA . 27314 1 147 . 1 1 52 52 MET CB C 13 35.6711 0.0000 . 1 . . . . . 52 MET CB . 27314 1 148 . 1 1 52 52 MET N N 15 118.7810 0.0000 . 1 . . 50849 . . 52 MET N . 27314 1 149 . 1 1 53 53 LEU H H 1 7.5900 0.0000 . 1 . . 49600 . . 53 LEU H . 27314 1 150 . 1 1 53 53 LEU C C 13 177.6240 0.0000 . 1 . . . . . 53 LEU C . 27314 1 151 . 1 1 53 53 LEU CA C 13 58.8105 0.0000 . 1 . . . . . 53 LEU CA . 27314 1 152 . 1 1 53 53 LEU CB C 13 41.7012 0.0000 . 1 . . . . . 53 LEU CB . 27314 1 153 . 1 1 53 53 LEU N N 15 119.8020 0.0000 . 1 . . 49601 . . 53 LEU N . 27314 1 154 . 1 1 54 54 ASP H H 1 8.8829 0.0000 . 1 . . 50866 . . 54 ASP H . 27314 1 155 . 1 1 54 54 ASP C C 13 179.3620 0.0000 . 1 . . . . . 54 ASP C . 27314 1 156 . 1 1 54 54 ASP CA C 13 57.5238 0.0000 . 1 . . . . . 54 ASP CA . 27314 1 157 . 1 1 54 54 ASP CB C 13 40.2929 0.0000 . 1 . . . . . 54 ASP CB . 27314 1 158 . 1 1 54 54 ASP N N 15 118.6153 0.0000 . 1 . . 50867 . . 54 ASP N . 27314 1 159 . 1 1 55 55 GLN H H 1 7.9832 0.0000 . 1 . . 49153 . . 55 GLN H . 27314 1 160 . 1 1 55 55 GLN C C 13 178.6050 0.0000 . 1 . . . . . 55 GLN C . 27314 1 161 . 1 1 55 55 GLN CA C 13 58.9106 0.0000 . 1 . . . . . 55 GLN CA . 27314 1 162 . 1 1 55 55 GLN CB C 13 28.0925 0.0000 . 1 . . . . . 55 GLN CB . 27314 1 163 . 1 1 55 55 GLN N N 15 123.5987 0.0000 . 1 . . 49154 . . 55 GLN N . 27314 1 164 . 1 1 56 56 ILE H H 1 7.8873 0.0000 . 1 . . 50878 . . 56 ILE H . 27314 1 165 . 1 1 56 56 ILE C C 13 177.8303 0.0000 . 1 . . . . . 56 ILE C . 27314 1 166 . 1 1 56 56 ILE CA C 13 66.7536 0.0000 . 1 . . . . . 56 ILE CA . 27314 1 167 . 1 1 56 56 ILE CB C 13 38.2864 0.0000 . 1 . . . . . 56 ILE CB . 27314 1 168 . 1 1 56 56 ILE N N 15 122.6153 0.0000 . 1 . . 50879 . . 56 ILE N . 27314 1 169 . 1 1 57 57 LYS H H 1 7.7710 0.0000 . 1 . . 51046 . . 57 LYS H . 27314 1 170 . 1 1 57 57 LYS C C 13 181.0243 0.0000 . 1 . . . . . 57 LYS C . 27314 1 171 . 1 1 57 57 LYS CA C 13 59.4173 0.0000 . 1 . . . . . 57 LYS CA . 27314 1 172 . 1 1 57 57 LYS CB C 13 32.5684 0.0000 . 1 . . . . . 57 LYS CB . 27314 1 173 . 1 1 57 57 LYS N N 15 117.8026 0.0000 . 1 . . 51047 . . 57 LYS N . 27314 1 174 . 1 1 58 58 SER H H 1 8.6497 0.0000 . 1 . . 50884 . . 58 SER H . 27314 1 175 . 1 1 58 58 SER C C 13 175.7888 0.0000 . 1 . . . . . 58 SER C . 27314 1 176 . 1 1 58 58 SER CA C 13 61.6301 0.0000 . 1 . . . . . 58 SER CA . 27314 1 177 . 1 1 58 58 SER CB C 13 62.7684 0.0000 . 1 . . . . . 58 SER CB . 27314 1 178 . 1 1 58 58 SER N N 15 118.3100 0.0000 . 1 . . 50885 . . 58 SER N . 27314 1 179 . 1 1 59 59 LEU H H 1 7.6314 0.0000 . 1 . . 51052 . . 59 LEU H . 27314 1 180 . 1 1 59 59 LEU C C 13 177.4212 0.0000 . 1 . . . . . 59 LEU C . 27314 1 181 . 1 1 59 59 LEU CA C 13 55.1019 0.0000 . 1 . . . . . 59 LEU CA . 27314 1 182 . 1 1 59 59 LEU CB C 13 42.8725 0.0000 . 1 . . . . . 59 LEU CB . 27314 1 183 . 1 1 59 59 LEU N N 15 120.9243 0.0000 . 1 . . 51053 . . 59 LEU N . 27314 1 184 . 1 1 60 60 GLY H H 1 8.1720 0.0000 . 1 . . 50890 . . 60 GLY H . 27314 1 185 . 1 1 60 60 GLY C C 13 173.7904 0.0000 . 1 . . . . . 60 GLY C . 27314 1 186 . 1 1 60 60 GLY CA C 13 45.6546 0.0000 . 1 . . . . . 60 GLY CA . 27314 1 187 . 1 1 60 60 GLY N N 15 107.5600 0.0000 . 1 . . 50891 . . 60 GLY N . 27314 1 188 . 1 1 61 61 TYR H H 1 6.9879 0.0000 . 1 . . 49672 . . 61 TYR H . 27314 1 189 . 1 1 61 61 TYR C C 13 174.4646 0.0000 . 1 . . . . . 61 TYR C . 27314 1 190 . 1 1 61 61 TYR CA C 13 58.6811 0.0000 . 1 . . . . . 61 TYR CA . 27314 1 191 . 1 1 61 61 TYR CB C 13 39.3851 0.0000 . 1 . . . . . 61 TYR CB . 27314 1 192 . 1 1 61 61 TYR N N 15 119.5601 0.0000 . 1 . . 49673 . . 61 TYR N . 27314 1 193 . 1 1 62 62 ASN H H 1 7.5551 0.0000 . 1 . . 50404 . . 62 ASN H . 27314 1 194 . 1 1 62 62 ASN C C 13 174.4788 0.0000 . 1 . . . . . 62 ASN C . 27314 1 195 . 1 1 62 62 ASN CA C 13 52.9671 0.0000 . 1 . . . . . 62 ASN CA . 27314 1 196 . 1 1 62 62 ASN CB C 13 40.6434 0.0000 . 1 . . . . . 62 ASN CB . 27314 1 197 . 1 1 62 62 ASN N N 15 113.5538 0.0000 . 1 . . 50405 . . 62 ASN N . 27314 1 198 . 1 1 63 63 THR H H 1 6.8029 0.0000 . 1 . . 50773 . . 63 THR H . 27314 1 199 . 1 1 63 63 THR C C 13 172.7601 0.0000 . 1 . . . . . 63 THR C . 27314 1 200 . 1 1 63 63 THR CA C 13 61.4635 0.0000 . 1 . . . . . 63 THR CA . 27314 1 201 . 1 1 63 63 THR CB C 13 73.6751 0.0000 . 1 . . . . . 63 THR CB . 27314 1 202 . 1 1 63 63 THR N N 15 113.2838 0.0000 . 1 . . 50774 . . 63 THR N . 27314 1 203 . 1 1 64 64 ILE H H 1 9.2486 0.0000 . 1 . . 50896 . . 64 ILE H . 27314 1 204 . 1 1 64 64 ILE C C 13 176.5894 0.0000 . 1 . . . . . 64 ILE C . 27314 1 205 . 1 1 64 64 ILE CA C 13 58.5975 0.0000 . 1 . . . . . 64 ILE CA . 27314 1 206 . 1 1 64 64 ILE CB C 13 40.6012 0.0000 . 1 . . . . . 64 ILE CB . 27314 1 207 . 1 1 64 64 ILE N N 15 125.4322 0.0000 . 1 . . 50897 . . 64 ILE N . 27314 1 208 . 1 1 65 65 ARG H H 1 8.5898 0.0000 . 1 . . 51541 . . 65 ARG H . 27314 1 209 . 1 1 65 65 ARG C C 13 173.8502 0.0000 . 1 . . . . . 65 ARG C . 27314 1 210 . 1 1 65 65 ARG CA C 13 55.7187 0.0000 . 1 . . . . . 65 ARG CA . 27314 1 211 . 1 1 65 65 ARG CB C 13 31.2170 0.0000 . 1 . . . . . 65 ARG CB . 27314 1 212 . 1 1 65 65 ARG N N 15 129.2545 0.0000 . 1 . . 51542 . . 65 ARG N . 27314 1 213 . 1 1 66 66 LEU H H 1 8.9846 0.0000 . 1 . . 51538 . . 66 LEU H . 27314 1 214 . 1 1 66 66 LEU CA C 13 51.8247 0.0000 . 1 . . . . . 66 LEU CA . 27314 1 215 . 1 1 66 66 LEU CB C 13 45.2281 0.0000 . 1 . . . . . 66 LEU CB . 27314 1 216 . 1 1 66 66 LEU N N 15 131.5895 0.0000 . 1 . . 51539 . . 66 LEU N . 27314 1 217 . 1 1 69 69 SER C C 13 173.4565 0.0000 . 1 . . . . . 69 SER C . 27314 1 218 . 1 1 69 69 SER CA C 13 57.6703 0.0000 . 1 . . . . . 69 SER CA . 27314 1 219 . 1 1 69 69 SER CB C 13 63.7907 0.0000 . 1 . . . . . 69 SER CB . 27314 1 220 . 1 1 70 70 ASP H H 1 6.7461 0.0000 . 1 . . 50791 . . 70 ASP H . 27314 1 221 . 1 1 70 70 ASP C C 13 176.1626 0.0000 . 1 . . . . . 70 ASP C . 27314 1 222 . 1 1 70 70 ASP CA C 13 52.5624 0.0000 . 1 . . . . . 70 ASP CA . 27314 1 223 . 1 1 70 70 ASP CB C 13 43.8349 0.0000 . 1 . . . . . 70 ASP CB . 27314 1 224 . 1 1 70 70 ASP N N 15 124.6856 0.0000 . 1 . . 50792 . . 70 ASP N . 27314 1 225 . 1 1 71 71 ASP H H 1 8.8980 0.0000 . 1 . . 50908 . . 71 ASP H . 27314 1 226 . 1 1 71 71 ASP C C 13 174.8832 0.0000 . 1 . . . . . 71 ASP C . 27314 1 227 . 1 1 71 71 ASP CA C 13 58.7448 0.0000 . 1 . . . . . 71 ASP CA . 27314 1 228 . 1 1 71 71 ASP CB C 13 43.1549 0.0000 . 1 . . . . . 71 ASP CB . 27314 1 229 . 1 1 71 71 ASP N N 15 113.7603 0.0000 . 1 . . 50909 . . 71 ASP N . 27314 1 230 . 1 1 76 76 GLY C C 13 174.6545 0.0000 . 1 . . . . . 76 GLY C . 27314 1 231 . 1 1 76 76 GLY CA C 13 45.4037 0.0000 . 1 . . . . . 76 GLY CA . 27314 1 232 . 1 1 77 77 THR H H 1 7.4312 0.0000 . 1 . . 49975 . . 77 THR H . 27314 1 233 . 1 1 77 77 THR C C 13 173.6993 0.0000 . 1 . . . . . 77 THR C . 27314 1 234 . 1 1 77 77 THR CA C 13 65.3238 0.0000 . 1 . . . . . 77 THR CA . 27314 1 235 . 1 1 77 77 THR CB C 13 68.6326 0.0000 . 1 . . . . . 77 THR CB . 27314 1 236 . 1 1 77 77 THR N N 15 117.2016 0.0000 . 1 . . 49976 . . 77 THR N . 27314 1 237 . 1 1 78 78 MET H H 1 8.4183 0.0000 . 1 . . 50917 . . 78 MET H . 27314 1 238 . 1 1 78 78 MET C C 13 173.4273 0.0000 . 1 . . . . . 78 MET C . 27314 1 239 . 1 1 78 78 MET CA C 13 51.8950 0.0000 . 1 . . . . . 78 MET CA . 27314 1 240 . 1 1 78 78 MET CB C 13 32.9752 0.0000 . 1 . . . . . 78 MET CB . 27314 1 241 . 1 1 78 78 MET N N 15 128.8376 0.0000 . 1 . . 50918 . . 78 MET N . 27314 1 242 . 1 1 81 81 SER C C 13 173.2479 0.0000 . 1 . . . . . 81 SER C . 27314 1 243 . 1 1 81 81 SER CA C 13 59.9628 0.0000 . 1 . . . . . 81 SER CA . 27314 1 244 . 1 1 81 81 SER CB C 13 63.5342 0.0000 . 1 . . . . . 81 SER CB . 27314 1 245 . 1 1 82 82 ILE H H 1 7.5647 0.0000 . 1 . . 50863 . . 82 ILE H . 27314 1 246 . 1 1 82 82 ILE C C 13 174.0965 0.0000 . 1 . . . . . 82 ILE C . 27314 1 247 . 1 1 82 82 ILE CA C 13 62.0294 0.0000 . 1 . . . . . 82 ILE CA . 27314 1 248 . 1 1 82 82 ILE CB C 13 39.0060 0.0000 . 1 . . . . . 82 ILE CB . 27314 1 249 . 1 1 82 82 ILE N N 15 120.1952 0.0000 . 1 . . 50864 . . 82 ILE N . 27314 1 250 . 1 1 83 83 ASN H H 1 7.6670 0.0000 . 1 . . 50929 . . 83 ASN H . 27314 1 251 . 1 1 83 83 ASN C C 13 173.6658 0.0000 . 1 . . . . . 83 ASN C . 27314 1 252 . 1 1 83 83 ASN CA C 13 51.9516 0.0000 . 1 . . . . . 83 ASN CA . 27314 1 253 . 1 1 83 83 ASN CB C 13 39.7003 0.0000 . 1 . . . . . 83 ASN CB . 27314 1 254 . 1 1 83 83 ASN N N 15 126.0901 0.0000 . 1 . . 50930 . . 83 ASN N . 27314 1 255 . 1 1 84 84 PHE H H 1 7.9705 0.0000 . 1 . . 49252 . . 84 PHE H . 27314 1 256 . 1 1 84 84 PHE C C 13 176.3671 0.0000 . 1 . . . . . 84 PHE C . 27314 1 257 . 1 1 84 84 PHE CA C 13 56.9143 0.0000 . 1 . . . . . 84 PHE CA . 27314 1 258 . 1 1 84 84 PHE CB C 13 39.7118 0.0000 . 1 . . . . . 84 PHE CB . 27314 1 259 . 1 1 84 84 PHE N N 15 122.2221 0.0000 . 1 . . 49253 . . 84 PHE N . 27314 1 260 . 1 1 85 85 TYR H H 1 8.0783 0.0000 . 1 . . 49459 . . 85 TYR H . 27314 1 261 . 1 1 85 85 TYR C C 13 174.1493 0.0000 . 1 . . . . . 85 TYR C . 27314 1 262 . 1 1 85 85 TYR CA C 13 58.3240 0.0000 . 1 . . . . . 85 TYR CA . 27314 1 263 . 1 1 85 85 TYR CB C 13 37.3455 0.0000 . 1 . . . . . 85 TYR CB . 27314 1 264 . 1 1 85 85 TYR N N 15 121.0686 0.0000 . 1 . . 49460 . . 85 TYR N . 27314 1 265 . 1 1 86 86 GLN C C 13 173.5257 0.0000 . 1 . . . . . 86 GLN C . 27314 1 266 . 1 1 86 86 GLN CA C 13 57.3015 0.0000 . 1 . . . . . 86 GLN CA . 27314 1 267 . 1 1 86 86 GLN CB C 13 26.0352 0.0000 . 1 . . . . . 86 GLN CB . 27314 1 268 . 1 1 87 87 MET H H 1 7.1389 0.0000 . 1 . . 50938 . . 87 MET H . 27314 1 269 . 1 1 87 87 MET C C 13 173.2677 0.0000 . 1 . . . . . 87 MET C . 27314 1 270 . 1 1 87 87 MET CA C 13 54.9863 0.0000 . 1 . . . . . 87 MET CA . 27314 1 271 . 1 1 87 87 MET CB C 13 35.9348 0.0000 . 1 . . . . . 87 MET CB . 27314 1 272 . 1 1 87 87 MET N N 15 112.6545 0.0000 . 1 . . 50939 . . 87 MET N . 27314 1 273 . 1 1 88 88 ASN H H 1 9.7728 0.0000 . 1 . . 50944 . . 88 ASN H . 27314 1 274 . 1 1 88 88 ASN C C 13 178.2710 0.0000 . 1 . . . . . 88 ASN C . 27314 1 275 . 1 1 88 88 ASN CA C 13 55.9141 0.0000 . 1 . . . . . 88 ASN CA . 27314 1 276 . 1 1 88 88 ASN CB C 13 38.6618 0.0000 . 1 . . . . . 88 ASN CB . 27314 1 277 . 1 1 88 88 ASN N N 15 110.5761 0.0000 . 1 . . 50945 . . 88 ASN N . 27314 1 278 . 1 1 89 89 GLN H H 1 9.4062 0.0000 . 1 . . 50953 . . 89 GLN H . 27314 1 279 . 1 1 89 89 GLN C C 13 178.7843 0.0000 . 1 . . . . . 89 GLN C . 27314 1 280 . 1 1 89 89 GLN CA C 13 62.1136 0.0000 . 1 . . . . . 89 GLN CA . 27314 1 281 . 1 1 89 89 GLN CB C 13 28.2015 0.0000 . 1 . . . . . 89 GLN CB . 27314 1 282 . 1 1 89 89 GLN N N 15 117.9362 0.0000 . 1 . . 50954 . . 89 GLN N . 27314 1 283 . 1 1 90 90 ASP H H 1 9.4210 0.0000 . 1 . . . . . 90 ASP H . 27314 1 284 . 1 1 90 90 ASP C C 13 176.3654 0.0000 . 1 . . . . . 90 ASP C . 27314 1 285 . 1 1 90 90 ASP CA C 13 54.0732 0.0000 . 1 . . . . . 90 ASP CA . 27314 1 286 . 1 1 90 90 ASP CB C 13 38.6047 0.0000 . 1 . . . . . 90 ASP CB . 27314 1 287 . 1 1 90 90 ASP N N 15 114.2563 0.0000 . 1 . . . . . 90 ASP N . 27314 1 288 . 1 1 91 91 LEU H H 1 8.1075 0.0000 . 1 . . 50227 . . 91 LEU H . 27314 1 289 . 1 1 91 91 LEU CA C 13 54.3369 0.0000 . 1 . . . . . 91 LEU CA . 27314 1 290 . 1 1 91 91 LEU CB C 13 41.0697 0.0000 . 1 . . . . . 91 LEU CB . 27314 1 291 . 1 1 91 91 LEU N N 15 115.2636 0.0000 . 1 . . 50228 . . 91 LEU N . 27314 1 292 . 1 1 93 93 GLY C C 13 173.4206 0.0000 . 1 . . . . . 93 GLY C . 27314 1 293 . 1 1 93 93 GLY CA C 13 45.6279 0.0000 . 1 . . . . . 93 GLY CA . 27314 1 294 . 1 1 94 94 LEU H H 1 7.0475 0.0000 . 1 . . 49429 . . 94 LEU H . 27314 1 295 . 1 1 94 94 LEU C C 13 177.4888 0.0000 . 1 . . . . . 94 LEU C . 27314 1 296 . 1 1 94 94 LEU CA C 13 54.5104 0.0000 . 1 . . . . . 94 LEU CA . 27314 1 297 . 1 1 94 94 LEU CB C 13 41.9902 0.0000 . 1 . . . . . 94 LEU CB . 27314 1 298 . 1 1 94 94 LEU N N 15 119.5388 0.0000 . 1 . . 49430 . . 94 LEU N . 27314 1 299 . 1 1 95 95 THR H H 1 8.4268 0.0000 . 1 . . 50962 . . 95 THR H . 27314 1 300 . 1 1 95 95 THR C C 13 175.8431 0.0000 . 1 . . . . . 95 THR C . 27314 1 301 . 1 1 95 95 THR CA C 13 61.3218 0.0000 . 1 . . . . . 95 THR CA . 27314 1 302 . 1 1 95 95 THR CB C 13 70.9046 0.0000 . 1 . . . . . 95 THR CB . 27314 1 303 . 1 1 95 95 THR N N 15 109.5562 0.0000 . 1 . . 50963 . . 95 THR N . 27314 1 304 . 1 1 96 96 SER H H 1 9.0318 0.0000 . 1 . . 52063 . . 96 SER H . 27314 1 305 . 1 1 96 96 SER C C 13 176.2618 0.0000 . 1 . . . . . 96 SER C . 27314 1 306 . 1 1 96 96 SER CA C 13 65.7017 0.0000 . 1 . . . . . 96 SER CA . 27314 1 307 . 1 1 96 96 SER CB C 13 63.0223 0.0000 . 1 . . . . . 96 SER CB . 27314 1 308 . 1 1 96 96 SER N N 15 117.0579 0.0000 . 1 . . 52064 . . 96 SER N . 27314 1 309 . 1 1 97 97 LEU H H 1 8.2975 0.0000 . 1 . . 50902 . . 97 LEU H . 27314 1 310 . 1 1 97 97 LEU C C 13 177.8562 0.0000 . 1 . . . . . 97 LEU C . 27314 1 311 . 1 1 97 97 LEU CA C 13 57.7095 0.0000 . 1 . . . . . 97 LEU CA . 27314 1 312 . 1 1 97 97 LEU CB C 13 42.0934 0.0000 . 1 . . . . . 97 LEU CB . 27314 1 313 . 1 1 97 97 LEU N N 15 119.6239 0.0000 . 1 . . 50903 . . 97 LEU N . 27314 1 314 . 1 1 98 98 GLN H H 1 7.2322 0.0000 . 1 . . 52039 . . 98 GLN H . 27314 1 315 . 1 1 98 98 GLN C C 13 179.7839 0.0000 . 1 . . . . . 98 GLN C . 27314 1 316 . 1 1 98 98 GLN CA C 13 58.5519 0.0000 . 1 . . . . . 98 GLN CA . 27314 1 317 . 1 1 98 98 GLN CB C 13 29.5479 0.0000 . 1 . . . . . 98 GLN CB . 27314 1 318 . 1 1 98 98 GLN N N 15 116.2926 0.0000 . 1 . . 52040 . . 98 GLN N . 27314 1 319 . 1 1 99 99 VAL H H 1 8.6594 0.0000 . 1 . . 49414 . . 99 VAL H . 27314 1 320 . 1 1 99 99 VAL C C 13 178.0431 0.0000 . 1 . . . . . 99 VAL C . 27314 1 321 . 1 1 99 99 VAL CA C 13 67.5275 0.0000 . 1 . . . . . 99 VAL CA . 27314 1 322 . 1 1 99 99 VAL CB C 13 30.8762 0.0000 . 1 . . . . . 99 VAL CB . 27314 1 323 . 1 1 99 99 VAL N N 15 121.4602 0.0000 . 1 . . 49415 . . 99 VAL N . 27314 1 324 . 1 1 100 100 MET H H 1 8.5179 0.0000 . 1 . . 50980 . . 100 MET H . 27314 1 325 . 1 1 100 100 MET C C 13 177.8741 0.0000 . 1 . . . . . 100 MET C . 27314 1 326 . 1 1 100 100 MET CA C 13 61.2631 0.0000 . 1 . . . . . 100 MET CA . 27314 1 327 . 1 1 100 100 MET CB C 13 32.1572 0.0000 . 1 . . . . . 100 MET CB . 27314 1 328 . 1 1 100 100 MET N N 15 122.7332 0.0000 . 1 . . 50981 . . 100 MET N . 27314 1 329 . 1 1 101 101 ASP H H 1 8.3575 0.0000 . 1 . . 49990 . . 101 ASP H . 27314 1 330 . 1 1 101 101 ASP C C 13 179.2964 0.0000 . 1 . . . . . 101 ASP C . 27314 1 331 . 1 1 101 101 ASP CA C 13 58.1052 0.0000 . 1 . . . . . 101 ASP CA . 27314 1 332 . 1 1 101 101 ASP CB C 13 39.9588 0.0000 . 1 . . . . . 101 ASP CB . 27314 1 333 . 1 1 101 101 ASP N N 15 117.0907 0.0000 . 1 . . 49991 . . 101 ASP N . 27314 1 334 . 1 1 102 102 LYS H H 1 7.4800 0.0000 . 1 . . 51418 . . 102 LYS H . 27314 1 335 . 1 1 102 102 LYS C C 13 179.8107 0.0000 . 1 . . . . . 102 LYS C . 27314 1 336 . 1 1 102 102 LYS CA C 13 58.8318 0.0000 . 1 . . . . . 102 LYS CA . 27314 1 337 . 1 1 102 102 LYS CB C 13 31.3432 0.0000 . 1 . . . . . 102 LYS CB . 27314 1 338 . 1 1 102 102 LYS N N 15 120.1497 0.0000 . 1 . . 51419 . . 102 LYS N . 27314 1 339 . 1 1 103 103 ILE H H 1 8.0857 0.0000 . 1 . . 51004 . . 103 ILE H . 27314 1 340 . 1 1 103 103 ILE C C 13 176.7795 0.0000 . 1 . . . . . 103 ILE C . 27314 1 341 . 1 1 103 103 ILE CA C 13 65.3872 0.0000 . 1 . . . . . 103 ILE CA . 27314 1 342 . 1 1 103 103 ILE CB C 13 37.4987 0.0000 . 1 . . . . . 103 ILE CB . 27314 1 343 . 1 1 103 103 ILE N N 15 122.4932 0.0000 . 1 . . 51005 . . 103 ILE N . 27314 1 344 . 1 1 104 104 VAL H H 1 8.6913 0.0000 . 1 . . 49714 . . 104 VAL H . 27314 1 345 . 1 1 104 104 VAL C C 13 177.9903 0.0000 . 1 . . . . . 104 VAL C . 27314 1 346 . 1 1 104 104 VAL CA C 13 66.8203 0.0000 . 1 . . . . . 104 VAL CA . 27314 1 347 . 1 1 104 104 VAL CB C 13 31.4750 0.0000 . 1 . . . . . 104 VAL CB . 27314 1 348 . 1 1 104 104 VAL N N 15 119.4964 0.0000 . 1 . . 49715 . . 104 VAL N . 27314 1 349 . 1 1 105 105 ALA H H 1 8.2498 0.0000 . 1 . . 49642 . . 105 ALA H . 27314 1 350 . 1 1 105 105 ALA C C 13 180.4700 0.0000 . 1 . . . . . 105 ALA C . 27314 1 351 . 1 1 105 105 ALA CA C 13 54.9104 0.0000 . 1 . . . . . 105 ALA CA . 27314 1 352 . 1 1 105 105 ALA CB C 13 18.4541 0.0000 . 1 . . . . . 105 ALA CB . 27314 1 353 . 1 1 105 105 ALA N N 15 119.7918 0.0000 . 1 . . 49643 . . 105 ALA N . 27314 1 354 . 1 1 106 106 TYR H H 1 8.0142 0.0000 . 1 . . 49834 . . 106 TYR H . 27314 1 355 . 1 1 106 106 TYR C C 13 176.5856 0.0000 . 1 . . . . . 106 TYR C . 27314 1 356 . 1 1 106 106 TYR CA C 13 62.7424 0.0000 . 1 . . . . . 106 TYR CA . 27314 1 357 . 1 1 106 106 TYR CB C 13 37.8757 0.0000 . 1 . . . . . 106 TYR CB . 27314 1 358 . 1 1 106 106 TYR N N 15 118.4137 0.0000 . 1 . . 49835 . . 106 TYR N . 27314 1 359 . 1 1 107 107 ALA H H 1 8.6646 0.0000 . 1 . . . . . 107 ALA H . 27314 1 360 . 1 1 107 107 ALA C C 13 179.4657 0.0000 . 1 . . . . . 107 ALA C . 27314 1 361 . 1 1 107 107 ALA CA C 13 55.7054 0.0000 . 1 . . . . . 107 ALA CA . 27314 1 362 . 1 1 107 107 ALA CB C 13 17.6486 0.0000 . 1 . . . . . 107 ALA CB . 27314 1 363 . 1 1 107 107 ALA N N 15 118.3100 0.0000 . 1 . . . . . 107 ALA N . 27314 1 364 . 1 1 108 108 GLY H H 1 8.1037 0.0000 . 1 . . 51598 . . 108 GLY H . 27314 1 365 . 1 1 108 108 GLY C C 13 177.8440 0.0000 . 1 . . . . . 108 GLY C . 27314 1 366 . 1 1 108 108 GLY CA C 13 48.2835 0.0000 . 1 . . . . . 108 GLY CA . 27314 1 367 . 1 1 108 108 GLY N N 15 102.4883 0.0000 . 1 . . 51599 . . 108 GLY N . 27314 1 368 . 1 1 109 109 GLN H H 1 7.6294 0.0000 . 1 . . 49351 . . 109 GLN H . 27314 1 369 . 1 1 109 109 GLN C C 13 177.6901 0.0000 . 1 . . . . . 109 GLN C . 27314 1 370 . 1 1 109 109 GLN CA C 13 58.5689 0.0000 . 1 . . . . . 109 GLN CA . 27314 1 371 . 1 1 109 109 GLN CB C 13 28.6547 0.0000 . 1 . . . . . 109 GLN CB . 27314 1 372 . 1 1 109 109 GLN N N 15 121.9929 0.0000 . 1 . . 49352 . . 109 GLN N . 27314 1 373 . 1 1 110 110 ILE H H 1 7.2197 0.0000 . 1 . . 50803 . . 110 ILE H . 27314 1 374 . 1 1 110 110 ILE C C 13 176.5627 0.0000 . 1 . . . . . 110 ILE C . 27314 1 375 . 1 1 110 110 ILE CA C 13 61.1820 0.0000 . 1 . . . . . 110 ILE CA . 27314 1 376 . 1 1 110 110 ILE CB C 13 38.3447 0.0000 . 1 . . . . . 110 ILE CB . 27314 1 377 . 1 1 110 110 ILE N N 15 108.0268 0.0000 . 1 . . 50804 . . 110 ILE N . 27314 1 378 . 1 1 111 111 GLY H H 1 7.6104 0.0000 . 1 . . 50587 . . 111 GLY H . 27314 1 379 . 1 1 111 111 GLY C C 13 172.7379 0.0000 . 1 . . . . . 111 GLY C . 27314 1 380 . 1 1 111 111 GLY CA C 13 45.8364 0.0000 . 1 . . . . . 111 GLY CA . 27314 1 381 . 1 1 111 111 GLY N N 15 108.8590 0.0000 . 1 . . 50588 . . 111 GLY N . 27314 1 382 . 1 1 112 112 LEU H H 1 8.0729 0.0000 . 1 . . 49897 . . 112 LEU H . 27314 1 383 . 1 1 112 112 LEU C C 13 177.8474 0.0000 . 1 . . . . . 112 LEU C . 27314 1 384 . 1 1 112 112 LEU CA C 13 53.4201 0.0000 . 1 . . . . . 112 LEU CA . 27314 1 385 . 1 1 112 112 LEU CB C 13 44.2610 0.0000 . 1 . . . . . 112 LEU CB . 27314 1 386 . 1 1 112 112 LEU N N 15 117.9116 0.0000 . 1 . . 49898 . . 112 LEU N . 27314 1 387 . 1 1 113 113 ARG H H 1 7.7056 0.0000 . 1 . . 49660 . . 113 ARG H . 27314 1 388 . 1 1 113 113 ARG C C 13 174.9960 0.0000 . 1 . . . . . 113 ARG C . 27314 1 389 . 1 1 113 113 ARG CA C 13 52.7642 0.0000 . 1 . . . . . 113 ARG CA . 27314 1 390 . 1 1 113 113 ARG CB C 13 32.7266 0.0000 . 1 . . . . . 113 ARG CB . 27314 1 391 . 1 1 113 113 ARG N N 15 115.3180 0.0000 . 1 . . 49661 . . 113 ARG N . 27314 1 392 . 1 1 114 114 ILE H H 1 8.7360 0.0000 . 1 . . . . . 114 ILE H . 27314 1 393 . 1 1 114 114 ILE C C 13 179.5318 0.0000 . 1 . . . . . 114 ILE C . 27314 1 394 . 1 1 114 114 ILE CA C 13 58.3369 0.0000 . 1 . . . . . 114 ILE CA . 27314 1 395 . 1 1 114 114 ILE CB C 13 41.4978 0.0000 . 1 . . . . . 114 ILE CB . 27314 1 396 . 1 1 114 114 ILE N N 15 119.5422 0.0000 . 1 . . . . . 114 ILE N . 27314 1 397 . 1 1 115 115 ILE H H 1 7.7207 0.0000 . 1 . . 51019 . . 115 ILE H . 27314 1 398 . 1 1 115 115 ILE C C 13 175.0062 0.0000 . 1 . . . . . 115 ILE C . 27314 1 399 . 1 1 115 115 ILE CA C 13 64.0272 0.0000 . 1 . . . . . 115 ILE CA . 27314 1 400 . 1 1 115 115 ILE CB C 13 37.9220 0.0000 . 1 . . . . . 115 ILE CB . 27314 1 401 . 1 1 115 115 ILE N N 15 109.6846 0.0000 . 1 . . 51020 . . 115 ILE N . 27314 1 402 . 1 1 116 116 LEU H H 1 7.2541 0.0000 . 1 . . 51031 . . 116 LEU H . 27314 1 403 . 1 1 116 116 LEU C C 13 177.8276 0.0000 . 1 . . . . . 116 LEU C . 27314 1 404 . 1 1 116 116 LEU CA C 13 55.9917 0.0000 . 1 . . . . . 116 LEU CA . 27314 1 405 . 1 1 116 116 LEU CB C 13 40.8983 0.0000 . 1 . . . . . 116 LEU CB . 27314 1 406 . 1 1 116 116 LEU N N 15 118.5941 0.0000 . 1 . . 51032 . . 116 LEU N . 27314 1 407 . 1 1 117 117 ASP H H 1 7.3109 0.0000 . 1 . . . . . 117 ASP H . 27314 1 408 . 1 1 117 117 ASP C C 13 175.7453 0.0000 . 1 . . . . . 117 ASP C . 27314 1 409 . 1 1 117 117 ASP CA C 13 55.9389 0.0000 . 1 . . . . . 117 ASP CA . 27314 1 410 . 1 1 117 117 ASP CB C 13 30.7239 0.0000 . 1 . . . . . 117 ASP CB . 27314 1 411 . 1 1 117 117 ASP N N 15 122.5437 0.0000 . 1 . . . . . 117 ASP N . 27314 1 412 . 1 1 118 118 ARG H H 1 7.7619 0.0000 . 1 . . 50236 . . 118 ARG H . 27314 1 413 . 1 1 118 118 ARG C C 13 182.3437 0.0000 . 1 . . . . . 118 ARG C . 27314 1 414 . 1 1 118 118 ARG CA C 13 53.8424 0.0000 . 1 . . . . . 118 ARG CA . 27314 1 415 . 1 1 118 118 ARG CB C 13 30.0065 0.0000 . 1 . . . . . 118 ARG CB . 27314 1 416 . 1 1 118 118 ARG N N 15 130.0969 0.0000 . 1 . . 50237 . . 118 ARG N . 27314 1 417 . 1 1 134 134 SER C C 13 174.0008 0.0000 . 1 . . . . . 134 SER C . 27314 1 418 . 1 1 134 134 SER CA C 13 58.9153 0.0000 . 1 . . . . . 134 SER CA . 27314 1 419 . 1 1 134 134 SER CB C 13 64.6876 0.0000 . 1 . . . . . 134 SER CB . 27314 1 420 . 1 1 135 135 VAL H H 1 7.5278 0.0000 . 1 . . 49033 . . 135 VAL H . 27314 1 421 . 1 1 135 135 VAL C C 13 174.9869 0.0000 . 1 . . . . . 135 VAL C . 27314 1 422 . 1 1 135 135 VAL CA C 13 62.4442 0.0000 . 1 . . . . . 135 VAL CA . 27314 1 423 . 1 1 135 135 VAL CB C 13 31.9117 0.0000 . 1 . . . . . 135 VAL CB . 27314 1 424 . 1 1 135 135 VAL N N 15 125.1989 0.0000 . 1 . . 49034 . . 135 VAL N . 27314 1 425 . 1 1 139 139 THR C C 13 177.2628 0.0000 . 1 . . . . . 139 THR C . 27314 1 426 . 1 1 139 139 THR CA C 13 65.3567 0.0000 . 1 . . . . . 139 THR CA . 27314 1 427 . 1 1 139 139 THR CB C 13 68.4840 0.0000 . 1 . . . . . 139 THR CB . 27314 1 428 . 1 1 140 140 TRP H H 1 6.5404 0.0000 . 1 . . 50239 . . 140 TRP H . 27314 1 429 . 1 1 140 140 TRP C C 13 177.7955 0.0000 . 1 . . . . . 140 TRP C . 27314 1 430 . 1 1 140 140 TRP CA C 13 58.5052 0.0000 . 1 . . . . . 140 TRP CA . 27314 1 431 . 1 1 140 140 TRP CB C 13 26.8200 0.0000 . 1 . . . . . 140 TRP CB . 27314 1 432 . 1 1 140 140 TRP N N 15 115.1777 0.0000 . 1 . . 50240 . . 140 TRP N . 27314 1 433 . 1 1 141 141 ILE H H 1 6.6661 0.0000 . 1 . . 51043 . . 141 ILE H . 27314 1 434 . 1 1 141 141 ILE C C 13 175.5210 0.0000 . 1 . . . . . 141 ILE C . 27314 1 435 . 1 1 141 141 ILE CA C 13 60.0209 0.0000 . 1 . . . . . 141 ILE CA . 27314 1 436 . 1 1 141 141 ILE CB C 13 38.3441 0.0000 . 1 . . . . . 141 ILE CB . 27314 1 437 . 1 1 141 141 ILE N N 15 116.6892 0.0000 . 1 . . 51044 . . 141 ILE N . 27314 1 438 . 1 1 142 142 SER H H 1 7.4351 0.0000 . 1 . . 51469 . . 142 SER H . 27314 1 439 . 1 1 142 142 SER C C 13 173.5596 0.0000 . 1 . . . . . 142 SER C . 27314 1 440 . 1 1 142 142 SER CA C 13 61.1974 0.0000 . 1 . . . . . 142 SER CA . 27314 1 441 . 1 1 142 142 SER CB C 13 63.3546 0.0000 . 1 . . . . . 142 SER CB . 27314 1 442 . 1 1 142 142 SER N N 15 111.9708 0.0000 . 1 . . 51470 . . 142 SER N . 27314 1 443 . 1 1 144 144 LEU C C 13 179.4171 0.0000 . 1 . . . . . 144 LEU C . 27314 1 444 . 1 1 144 144 LEU CA C 13 58.5529 0.0000 . 1 . . . . . 144 LEU CA . 27314 1 445 . 1 1 144 144 LEU CB C 13 42.7658 0.0000 . 1 . . . . . 144 LEU CB . 27314 1 446 . 1 1 145 145 GLN H H 1 8.3290 0.0000 . 1 . . 51493 . . 145 GLN H . 27314 1 447 . 1 1 145 145 GLN C C 13 178.1533 0.0000 . 1 . . . . . 145 GLN C . 27314 1 448 . 1 1 145 145 GLN CA C 13 60.0834 0.0000 . 1 . . . . . 145 GLN CA . 27314 1 449 . 1 1 145 145 GLN CB C 13 28.9613 0.0000 . 1 . . . . . 145 GLN CB . 27314 1 450 . 1 1 145 145 GLN N N 15 114.9288 0.0000 . 1 . . 51494 . . 145 GLN N . 27314 1 451 . 1 1 146 146 ALA H H 1 8.4569 0.0000 . 1 . . 49231 . . 146 ALA H . 27314 1 452 . 1 1 146 146 ALA C C 13 181.8499 0.0000 . 1 . . . . . 146 ALA C . 27314 1 453 . 1 1 146 146 ALA CA C 13 55.2287 0.0000 . 1 . . . . . 146 ALA CA . 27314 1 454 . 1 1 146 146 ALA CB C 13 18.0605 0.0000 . 1 . . . . . 146 ALA CB . 27314 1 455 . 1 1 146 146 ALA N N 15 122.4381 0.0000 . 1 . . 49232 . . 146 ALA N . 27314 1 456 . 1 1 147 147 LEU H H 1 7.9282 0.0000 . 1 . . 49735 . . 147 LEU H . 27314 1 457 . 1 1 147 147 LEU C C 13 178.2370 0.0000 . 1 . . . . . 147 LEU C . 27314 1 458 . 1 1 147 147 LEU CA C 13 57.6812 0.0000 . 1 . . . . . 147 LEU CA . 27314 1 459 . 1 1 147 147 LEU CB C 13 42.4622 0.0000 . 1 . . . . . 147 LEU CB . 27314 1 460 . 1 1 147 147 LEU N N 15 120.3060 0.0000 . 1 . . 49736 . . 147 LEU N . 27314 1 461 . 1 1 148 148 ALA H H 1 8.4695 0.0000 . 1 . . 49285 . . 148 ALA H . 27314 1 462 . 1 1 148 148 ALA C C 13 180.6551 0.0000 . 1 . . . . . 148 ALA C . 27314 1 463 . 1 1 148 148 ALA CA C 13 54.8871 0.0000 . 1 . . . . . 148 ALA CA . 27314 1 464 . 1 1 148 148 ALA CB C 13 17.8003 0.0000 . 1 . . . . . 148 ALA CB . 27314 1 465 . 1 1 148 148 ALA N N 15 121.9344 0.0000 . 1 . . 49286 . . 148 ALA N . 27314 1 466 . 1 1 149 149 GLN H H 1 8.5870 0.0000 . 1 . . 49831 . . 149 GLN H . 27314 1 467 . 1 1 149 149 GLN C C 13 178.1835 0.0000 . 1 . . . . . 149 GLN C . 27314 1 468 . 1 1 149 149 GLN CA C 13 58.6283 0.0000 . 1 . . 51855 . . 149 GLN CA . 27314 1 469 . 1 1 149 149 GLN CB C 13 28.5792 0.0000 . 1 . . . . . 149 GLN CB . 27314 1 470 . 1 1 149 149 GLN N N 15 117.9487 0.0000 . 1 . . . . . 149 GLN N . 27314 1 471 . 1 1 150 150 ARG H H 1 7.9290 0.0000 . 1 . . 51853 . . 150 ARG H . 27314 1 472 . 1 1 150 150 ARG C C 13 177.6488 0.0000 . 1 . . . . . 150 ARG C . 27314 1 473 . 1 1 150 150 ARG CA C 13 59.1836 0.0000 . 1 . . . . . 150 ARG CA . 27314 1 474 . 1 1 150 150 ARG CB C 13 30.3737 0.0000 . 1 . . . . . 150 ARG CB . 27314 1 475 . 1 1 150 150 ARG N N 15 121.5180 0.0000 . 1 . . 51854 . . 150 ARG N . 27314 1 476 . 1 1 151 151 TYR H H 1 6.9754 0.0000 . 1 . . 51463 . . 151 TYR H . 27314 1 477 . 1 1 151 151 TYR C C 13 174.5051 0.0000 . 1 . . . . . 151 TYR C . 27314 1 478 . 1 1 151 151 TYR CA C 13 57.1540 0.0000 . 1 . . . . . 151 TYR CA . 27314 1 479 . 1 1 151 151 TYR CB C 13 38.2754 0.0000 . 1 . . . . . 151 TYR CB . 27314 1 480 . 1 1 151 151 TYR N N 15 111.2484 0.0000 . 1 . . 51464 . . 151 TYR N . 27314 1 481 . 1 1 152 152 LYS H H 1 7.3599 0.0000 . 1 . . 49126 . . 152 LYS H . 27314 1 482 . 1 1 152 152 LYS C C 13 177.2538 0.0000 . 1 . . . . . 152 LYS C . 27314 1 483 . 1 1 152 152 LYS CA C 13 59.8602 0.0000 . 1 . . . . . 152 LYS CA . 27314 1 484 . 1 1 152 152 LYS CB C 13 32.1619 0.0000 . 1 . . . . . 152 LYS CB . 27314 1 485 . 1 1 152 152 LYS N N 15 125.1585 0.0000 . 1 . . 49127 . . 152 LYS N . 27314 1 486 . 1 1 155 155 PRO C C 13 174.6260 0.0000 . 1 . . . . . 155 PRO C . 27314 1 487 . 1 1 155 155 PRO CA C 13 63.4463 0.0000 . 1 . . . . . 155 PRO CA . 27314 1 488 . 1 1 155 155 PRO CB C 13 28.8180 0.0000 . 1 . . . . . 155 PRO CB . 27314 1 489 . 1 1 156 156 THR H H 1 7.6748 0.0000 . 1 . . 49972 . . 156 THR H . 27314 1 490 . 1 1 156 156 THR C C 13 175.4738 0.0000 . 1 . . . . . 156 THR C . 27314 1 491 . 1 1 156 156 THR CA C 13 67.2455 0.0000 . 1 . . . . . 156 THR CA . 27314 1 492 . 1 1 156 156 THR CB C 13 68.7113 0.0000 . 1 . . . . . 156 THR CB . 27314 1 493 . 1 1 156 156 THR N N 15 117.0040 0.0000 . 1 . . 49973 . . 156 THR N . 27314 1 494 . 1 1 157 157 VAL H H 1 6.5869 0.0000 . 1 . . 51973 . . 157 VAL H . 27314 1 495 . 1 1 157 157 VAL C C 13 175.8244 0.0000 . 1 . . . . . 157 VAL C . 27314 1 496 . 1 1 157 157 VAL CA C 13 61.1946 0.0000 . 1 . . . . . 157 VAL CA . 27314 1 497 . 1 1 157 157 VAL CB C 13 31.5940 0.0000 . 1 . . . . . 157 VAL CB . 27314 1 498 . 1 1 157 157 VAL N N 15 116.9817 0.0000 . 1 . . 51974 . . 157 VAL N . 27314 1 499 . 1 1 158 158 VAL H H 1 7.4898 0.0000 . 1 . . 51073 . . 158 VAL H . 27314 1 500 . 1 1 158 158 VAL C C 13 177.0811 0.0000 . 1 . . . . . 158 VAL C . 27314 1 501 . 1 1 158 158 VAL CA C 13 62.2091 0.0000 . 1 . . . . . 158 VAL CA . 27314 1 502 . 1 1 158 158 VAL CB C 13 32.5976 0.0000 . 1 . . . . . 158 VAL CB . 27314 1 503 . 1 1 158 158 VAL N N 15 117.9949 0.0000 . 1 . . 51074 . . 158 VAL N . 27314 1 504 . 1 1 159 159 GLY H H 1 7.1162 0.0000 . 1 . . 50668 . . 159 GLY H . 27314 1 505 . 1 1 159 159 GLY C C 13 170.1166 0.0000 . 1 . . . . . 159 GLY C . 27314 1 506 . 1 1 159 159 GLY CA C 13 47.7396 0.0000 . 1 . . . . . 159 GLY CA . 27314 1 507 . 1 1 159 159 GLY N N 15 103.5500 0.0000 . 1 . . 50669 . . 159 GLY N . 27314 1 508 . 1 1 160 160 PHE H H 1 7.9290 0.0000 . 1 . . 51379 . . 160 PHE H . 27314 1 509 . 1 1 160 160 PHE CA C 13 57.3868 0.0000 . 1 . . . . . 160 PHE CA . 27314 1 510 . 1 1 160 160 PHE CB C 13 45.5815 0.0000 . 1 . . . . . 160 PHE CB . 27314 1 511 . 1 1 160 160 PHE N N 15 114.8659 0.0000 . 1 . . 51380 . . 160 PHE N . 27314 1 512 . 1 1 169 169 PRO C C 13 175.3304 0.0000 . 1 . . . . . 169 PRO C . 27314 1 513 . 1 1 169 169 PRO CA C 13 63.7934 0.0000 . 1 . . . . . 169 PRO CA . 27314 1 514 . 1 1 169 169 PRO CB C 13 34.1930 0.0000 . 1 . . . . . 169 PRO CB . 27314 1 515 . 1 1 170 170 ALA H H 1 9.2705 0.0000 . 1 . . 48862 . . 170 ALA H . 27314 1 516 . 1 1 170 170 ALA C C 13 178.1017 0.0000 . 1 . . . . . 170 ALA C . 27314 1 517 . 1 1 170 170 ALA CA C 13 53.8912 0.0000 . 1 . . . . . 170 ALA CA . 27314 1 518 . 1 1 170 170 ALA CB C 13 18.6824 0.0000 . 1 . . . . . 170 ALA CB . 27314 1 519 . 1 1 170 170 ALA N N 15 128.2700 0.0000 . 1 . . 48863 . . 170 ALA N . 27314 1 520 . 1 1 171 171 CYS H H 1 9.3928 0.0000 . 1 . . 51094 . . 171 CYS H . 27314 1 521 . 1 1 171 171 CYS C C 13 171.3246 0.0000 . 1 . . . . . 171 CYS C . 27314 1 522 . 1 1 171 171 CYS CA C 13 51.7608 0.0000 . 1 . . . . . 171 CYS CA . 27314 1 523 . 1 1 171 171 CYS CB C 13 44.7872 0.0000 . 1 . . . . . 171 CYS CB . 27314 1 524 . 1 1 171 171 CYS N N 15 120.1804 0.0000 . 1 . . 51095 . . 171 CYS N . 27314 1 525 . 1 1 172 172 TRP H H 1 9.8586 0.0000 . 1 . . 51100 . . 172 TRP H . 27314 1 526 . 1 1 172 172 TRP C C 13 176.5347 0.0000 . 1 . . . . . 172 TRP C . 27314 1 527 . 1 1 172 172 TRP CA C 13 56.7528 0.0000 . 1 . . . . . 172 TRP CA . 27314 1 528 . 1 1 172 172 TRP CB C 13 29.5091 0.0000 . 1 . . . . . 172 TRP CB . 27314 1 529 . 1 1 172 172 TRP N N 15 123.4889 0.0000 . 1 . . 51101 . . 172 TRP N . 27314 1 530 . 1 1 173 173 GLY H H 1 8.8732 0.0000 . 1 . . . . . 173 GLY H . 27314 1 531 . 1 1 173 173 GLY C C 13 174.1906 0.0000 . 1 . . . . . 173 GLY C . 27314 1 532 . 1 1 173 173 GLY CA C 13 45.6794 0.0000 . 1 . . . . . 173 GLY CA . 27314 1 533 . 1 1 173 173 GLY N N 15 115.5949 0.0000 . 1 . . . . . 173 GLY N . 27314 1 534 . 1 1 174 174 CYS H H 1 8.0642 0.0000 . 1 . . 50389 . . 174 CYS H . 27314 1 535 . 1 1 174 174 CYS C C 13 176.0547 0.0000 . 1 . . . . . 174 CYS C . 27314 1 536 . 1 1 174 174 CYS CA C 13 61.0870 0.0000 . 1 . . . . . 174 CYS CA . 27314 1 537 . 1 1 174 174 CYS CB C 13 36.4092 0.0000 . 1 . . . . . 174 CYS CB . 27314 1 538 . 1 1 174 174 CYS N N 15 113.8976 0.0000 . 1 . . 50390 . . 174 CYS N . 27314 1 539 . 1 1 175 175 GLY H H 1 9.8384 0.0000 . 1 . . 52027 . . 175 GLY H . 27314 1 540 . 1 1 175 175 GLY C C 13 172.8224 0.0000 . 1 . . . . . 175 GLY C . 27314 1 541 . 1 1 175 175 GLY CA C 13 46.2831 0.0000 . 1 . . . . . 175 GLY CA . 27314 1 542 . 1 1 175 175 GLY N N 15 113.1657 0.0000 . 1 . . 52028 . . 175 GLY N . 27314 1 543 . 1 1 176 176 ASP H H 1 6.7440 0.0000 . 1 . . 49741 . . 176 ASP H . 27314 1 544 . 1 1 176 176 ASP C C 13 175.6283 0.0000 . 1 . . . . . 176 ASP C . 27314 1 545 . 1 1 176 176 ASP CA C 13 50.6460 0.0000 . 1 . . . . . 176 ASP CA . 27314 1 546 . 1 1 176 176 ASP CB C 13 41.7086 0.0000 . 1 . . . . . 176 ASP CB . 27314 1 547 . 1 1 176 176 ASP N N 15 119.8520 0.0000 . 1 . . 49742 . . 176 ASP N . 27314 1 548 . 1 1 177 177 PRO C C 13 178.8193 0.0000 . 1 . . . . . 177 PRO C . 27314 1 549 . 1 1 177 177 PRO CA C 13 64.2001 0.0000 . 1 . . . . . 177 PRO CA . 27314 1 550 . 1 1 177 177 PRO CB C 13 32.1566 0.0000 . 1 . . . . . 177 PRO CB . 27314 1 551 . 1 1 178 178 SER H H 1 8.5921 0.0000 . 1 . . . . . 178 SER H . 27314 1 552 . 1 1 178 178 SER C C 13 175.5244 0.0000 . 1 . . . . . 178 SER C . 27314 1 553 . 1 1 178 178 SER CA C 13 61.3693 0.0000 . 1 . . . . . 178 SER CA . 27314 1 554 . 1 1 178 178 SER CB C 13 63.8074 0.0000 . 1 . . . . . 178 SER CB . 27314 1 555 . 1 1 178 178 SER N N 15 114.0730 0.0000 . 1 . . . . . 178 SER N . 27314 1 556 . 1 1 179 179 ILE H H 1 7.4511 0.0000 . 1 . . 50590 . . 179 ILE H . 27314 1 557 . 1 1 179 179 ILE C C 13 176.7526 0.0000 . 1 . . . . . 179 ILE C . 27314 1 558 . 1 1 179 179 ILE CA C 13 62.4403 0.0000 . 1 . . . . . 179 ILE CA . 27314 1 559 . 1 1 179 179 ILE CB C 13 41.3722 0.0000 . 1 . . . . . 179 ILE CB . 27314 1 560 . 1 1 179 179 ILE N N 15 109.3466 0.0000 . 1 . . 50591 . . 179 ILE N . 27314 1 561 . 1 1 180 180 ASP H H 1 8.2614 0.0000 . 1 . . 49768 . . 180 ASP H . 27314 1 562 . 1 1 180 180 ASP C C 13 176.0065 0.0000 . 1 . . . . . 180 ASP C . 27314 1 563 . 1 1 180 180 ASP CA C 13 55.2352 0.0000 . 1 . . . . . 180 ASP CA . 27314 1 564 . 1 1 180 180 ASP CB C 13 40.9727 0.0000 . 1 . . . . . 180 ASP CB . 27314 1 565 . 1 1 180 180 ASP N N 15 122.3394 0.0000 . 1 . . 49769 . . 180 ASP N . 27314 1 566 . 1 1 181 181 TRP H H 1 9.3339 0.0000 . 1 . . 48802 . . 181 TRP H . 27314 1 567 . 1 1 181 181 TRP C C 13 174.8086 0.0000 . 1 . . . . . 181 TRP C . 27314 1 568 . 1 1 181 181 TRP CA C 13 57.4064 0.0000 . 1 . . . . . 181 TRP CA . 27314 1 569 . 1 1 181 181 TRP CB C 13 31.6456 0.0000 . 1 . . . . . 181 TRP CB . 27314 1 570 . 1 1 181 181 TRP N N 15 133.1688 0.0000 . 1 . . 48803 . . 181 TRP N . 27314 1 571 . 1 1 182 182 ARG H H 1 7.4821 0.0000 . 1 . . 51121 . . 182 ARG H . 27314 1 572 . 1 1 182 182 ARG C C 13 177.5299 0.0000 . 1 . . . . . 182 ARG C . 27314 1 573 . 1 1 182 182 ARG CA C 13 59.2300 0.0000 . 1 . . . . . 182 ARG CA . 27314 1 574 . 1 1 182 182 ARG CB C 13 28.0868 0.0000 . 1 . . . . . 182 ARG CB . 27314 1 575 . 1 1 182 182 ARG N N 15 118.4775 0.0000 . 1 . . 51122 . . 182 ARG N . 27314 1 576 . 1 1 183 183 LEU H H 1 6.1574 0.0000 . 1 . . 51127 . . 183 LEU H . 27314 1 577 . 1 1 183 183 LEU C C 13 179.0121 0.0000 . 1 . . . . . 183 LEU C . 27314 1 578 . 1 1 183 183 LEU CA C 13 56.4580 0.0000 . 1 . . . . . 183 LEU CA . 27314 1 579 . 1 1 183 183 LEU CB C 13 41.5852 0.0000 . 1 . . . . . 183 LEU CB . 27314 1 580 . 1 1 183 183 LEU N N 15 113.7871 0.0000 . 1 . . 51128 . . 183 LEU N . 27314 1 581 . 1 1 184 184 ALA H H 1 6.9690 0.0000 . 1 . . 51133 . . 184 ALA H . 27314 1 582 . 1 1 184 184 ALA C C 13 178.3090 0.0000 . 1 . . . . . 184 ALA C . 27314 1 583 . 1 1 184 184 ALA CA C 13 54.9454 0.0000 . 1 . . . . . 184 ALA CA . 27314 1 584 . 1 1 184 184 ALA CB C 13 16.1758 0.0000 . 1 . . . . . 184 ALA CB . 27314 1 585 . 1 1 184 184 ALA N N 15 122.6691 0.0000 . 1 . . 51134 . . 184 ALA N . 27314 1 586 . 1 1 185 185 ALA H H 1 7.8709 0.0000 . 1 . . 51142 . . 185 ALA H . 27314 1 587 . 1 1 185 185 ALA C C 13 180.1047 0.0000 . 1 . . . . . 185 ALA C . 27314 1 588 . 1 1 185 185 ALA CA C 13 54.4235 0.0000 . 1 . . . . . 185 ALA CA . 27314 1 589 . 1 1 185 185 ALA CB C 13 17.7531 0.0000 . 1 . . . . . 185 ALA CB . 27314 1 590 . 1 1 185 185 ALA N N 15 119.0978 0.0000 . 1 . . 51143 . . 185 ALA N . 27314 1 591 . 1 1 186 186 GLU H H 1 6.9108 0.0000 . 1 . . 51148 . . 186 GLU H . 27314 1 592 . 1 1 186 186 GLU C C 13 178.0416 0.0000 . 1 . . . . . 186 GLU C . 27314 1 593 . 1 1 186 186 GLU CA C 13 59.6910 0.0000 . 1 . . . . . 186 GLU CA . 27314 1 594 . 1 1 186 186 GLU CB C 13 30.4110 0.0000 . 1 . . . . . 186 GLU CB . 27314 1 595 . 1 1 186 186 GLU N N 15 116.1664 0.0000 . 1 . . 51149 . . 186 GLU N . 27314 1 596 . 1 1 187 187 ARG H H 1 7.5500 0.0000 . 1 . . 50029 . . 187 ARG H . 27314 1 597 . 1 1 187 187 ARG C C 13 180.2748 0.0000 . 1 . . . . . 187 ARG C . 27314 1 598 . 1 1 187 187 ARG CA C 13 60.2573 0.0000 . 1 . . . . . 187 ARG CA . 27314 1 599 . 1 1 187 187 ARG CB C 13 30.2892 0.0000 . 1 . . . . . 187 ARG CB . 27314 1 600 . 1 1 187 187 ARG N N 15 116.9674 0.0000 . 1 . . 50030 . . 187 ARG N . 27314 1 601 . 1 1 188 188 ALA H H 1 8.5944 0.0000 . 1 . . 49282 . . 188 ALA H . 27314 1 602 . 1 1 188 188 ALA C C 13 179.0682 0.0000 . 1 . . . . . 188 ALA C . 27314 1 603 . 1 1 188 188 ALA CA C 13 54.7824 0.0000 . 1 . . . . . 188 ALA CA . 27314 1 604 . 1 1 188 188 ALA CB C 13 19.7360 0.0000 . 1 . . . . . 188 ALA CB . 27314 1 605 . 1 1 188 188 ALA N N 15 122.1072 0.0000 . 1 . . 49283 . . 188 ALA N . 27314 1 606 . 1 1 189 189 GLY H H 1 8.8925 0.0000 . 1 . . 50620 . . 189 GLY H . 27314 1 607 . 1 1 189 189 GLY C C 13 175.1413 0.0000 . 1 . . . . . 189 GLY C . 27314 1 608 . 1 1 189 189 GLY CA C 13 47.8196 0.0000 . 1 . . . . . 189 GLY CA . 27314 1 609 . 1 1 189 189 GLY N N 15 107.5080 0.0000 . 1 . . 50621 . . 189 GLY N . 27314 1 610 . 1 1 190 190 ASN H H 1 8.2826 0.0000 . 1 . . 49738 . . 190 ASN H . 27314 1 611 . 1 1 190 190 ASN C C 13 178.7806 0.0000 . 1 . . . . . 190 ASN C . 27314 1 612 . 1 1 190 190 ASN CA C 13 55.7579 0.0000 . 1 . . . . . 190 ASN CA . 27314 1 613 . 1 1 190 190 ASN CB C 13 37.2877 0.0000 . 1 . . . . . 190 ASN CB . 27314 1 614 . 1 1 190 190 ASN N N 15 119.1955 0.0000 . 1 . . 49739 . . 190 ASN N . 27314 1 615 . 1 1 191 191 ALA H H 1 7.6233 0.0000 . 1 . . 49039 . . 191 ALA H . 27314 1 616 . 1 1 191 191 ALA C C 13 181.5755 0.0000 . 1 . . . . . 191 ALA C . 27314 1 617 . 1 1 191 191 ALA CA C 13 55.2802 0.0000 . 1 . . . . . 191 ALA CA . 27314 1 618 . 1 1 191 191 ALA CB C 13 18.4184 0.0000 . 1 . . . . . 191 ALA CB . 27314 1 619 . 1 1 191 191 ALA N N 15 124.6380 0.0000 . 1 . . 49040 . . 191 ALA N . 27314 1 620 . 1 1 192 192 VAL H H 1 8.1904 0.0000 . 1 . . 51154 . . 192 VAL H . 27314 1 621 . 1 1 192 192 VAL C C 13 177.9533 0.0000 . 1 . . . . . 192 VAL C . 27314 1 622 . 1 1 192 192 VAL CA C 13 68.0023 0.0000 . 1 . . . . . 192 VAL CA . 27314 1 623 . 1 1 192 192 VAL CB C 13 31.2669 0.0000 . 1 . . . . . 192 VAL CB . 27314 1 624 . 1 1 192 192 VAL N N 15 121.8253 0.0000 . 1 . . 51155 . . 192 VAL N . 27314 1 625 . 1 1 193 193 LEU H H 1 8.2122 0.0000 . 1 . . 49639 . . 193 LEU H . 27314 1 626 . 1 1 193 193 LEU C C 13 178.4503 0.0000 . 1 . . . . . 193 LEU C . 27314 1 627 . 1 1 193 193 LEU CA C 13 56.6400 0.0000 . 1 . . . . . 193 LEU CA . 27314 1 628 . 1 1 193 193 LEU CB C 13 41.8993 0.0000 . 1 . . . . . 193 LEU CB . 27314 1 629 . 1 1 193 193 LEU N N 15 119.6340 0.0000 . 1 . . 49640 . . 193 LEU N . 27314 1 630 . 1 1 194 194 SER H H 1 7.4440 0.0000 . 1 . . 50521 . . 194 SER H . 27314 1 631 . 1 1 194 194 SER C C 13 175.3096 0.0000 . 1 . . . . . 194 SER C . 27314 1 632 . 1 1 194 194 SER CA C 13 61.0831 0.0000 . 1 . . . . . 194 SER CA . 27314 1 633 . 1 1 194 194 SER CB C 13 63.0844 0.0000 . 1 . . . . . 194 SER CB . 27314 1 634 . 1 1 194 194 SER N N 15 111.9154 0.0000 . 1 . . 50522 . . 194 SER N . 27314 1 635 . 1 1 195 195 VAL H H 1 7.1913 0.0000 . 1 . . 49522 . . 195 VAL H . 27314 1 636 . 1 1 195 195 VAL C C 13 175.9051 0.0000 . 1 . . . . . 195 VAL C . 27314 1 637 . 1 1 195 195 VAL CA C 13 64.1868 0.0000 . 1 . . . . . 195 VAL CA . 27314 1 638 . 1 1 195 195 VAL CB C 13 32.0242 0.0000 . 1 . . . . . 195 VAL CB . 27314 1 639 . 1 1 195 195 VAL N N 15 120.3772 0.0000 . 1 . . 49523 . . 195 VAL N . 27314 1 640 . 1 1 196 196 ASN H H 1 7.6720 0.0000 . 1 . . 50488 . . 196 ASN H . 27314 1 641 . 1 1 196 196 ASN C C 13 172.5915 0.0000 . 1 . . . . . 196 ASN C . 27314 1 642 . 1 1 196 196 ASN CA C 13 49.2913 0.0000 . 1 . . . . . 196 ASN CA . 27314 1 643 . 1 1 196 196 ASN CB C 13 38.6010 0.0000 . 1 . . . . . 196 ASN CB . 27314 1 644 . 1 1 196 196 ASN N N 15 112.3029 0.0000 . 1 . . 50489 . . 196 ASN N . 27314 1 645 . 1 1 197 197 PRO C C 13 175.5782 0.0000 . 1 . . . . . 197 PRO C . 27314 1 646 . 1 1 197 197 PRO CA C 13 63.8896 0.0000 . 1 . . . . . 197 PRO CA . 27314 1 647 . 1 1 197 197 PRO CB C 13 32.0516 0.0000 . 1 . . . . . 197 PRO CB . 27314 1 648 . 1 1 198 198 ASN H H 1 7.1374 0.0000 . 1 . . 50194 . . 198 ASN H . 27314 1 649 . 1 1 198 198 ASN C C 13 173.4359 0.0000 . 1 . . . . . 198 ASN C . 27314 1 650 . 1 1 198 198 ASN CA C 13 53.3913 0.0000 . 1 . . . . . 198 ASN CA . 27314 1 651 . 1 1 198 198 ASN CB C 13 39.3893 0.0000 . 1 . . . . . 198 ASN CB . 27314 1 652 . 1 1 198 198 ASN N N 15 115.3456 0.0000 . 1 . . 50195 . . 198 ASN N . 27314 1 653 . 1 1 199 199 LEU H H 1 6.3739 0.0000 . 1 . . 51160 . . 199 LEU H . 27314 1 654 . 1 1 199 199 LEU C C 13 174.4812 0.0000 . 1 . . . . . 199 LEU C . 27314 1 655 . 1 1 199 199 LEU CA C 13 54.9784 0.0000 . 1 . . . . . 199 LEU CA . 27314 1 656 . 1 1 199 199 LEU CB C 13 43.9685 0.0000 . 1 . . . . . 199 LEU CB . 27314 1 657 . 1 1 199 199 LEU N N 15 117.8084 0.0000 . 1 . . 51161 . . 199 LEU N . 27314 1 658 . 1 1 200 200 LEU H H 1 7.9562 0.0000 . 1 . . 51163 . . 200 LEU H . 27314 1 659 . 1 1 200 200 LEU C C 13 175.7531 0.0000 . 1 . . . . . 200 LEU C . 27314 1 660 . 1 1 200 200 LEU CA C 13 53.8775 0.0000 . 1 . . . . . 200 LEU CA . 27314 1 661 . 1 1 200 200 LEU CB C 13 43.0293 0.0000 . 1 . . . . . 200 LEU CB . 27314 1 662 . 1 1 200 200 LEU N N 15 114.1705 0.0000 . 1 . . 51164 . . 200 LEU N . 27314 1 663 . 1 1 201 201 ILE H H 1 8.2438 0.0000 . 1 . . 49387 . . 201 ILE H . 27314 1 664 . 1 1 201 201 ILE C C 13 173.4907 0.0000 . 1 . . . . . 201 ILE C . 27314 1 665 . 1 1 201 201 ILE CA C 13 57.0600 0.0000 . 1 . . . . . 201 ILE CA . 27314 1 666 . 1 1 201 201 ILE CB C 13 36.0703 0.0000 . 1 . . . . . 201 ILE CB . 27314 1 667 . 1 1 201 201 ILE N N 15 121.7980 0.0000 . 1 . . 49388 . . 201 ILE N . 27314 1 668 . 1 1 202 202 PHE H H 1 8.9841 0.0000 . 1 . . 51169 . . 202 PHE H . 27314 1 669 . 1 1 202 202 PHE C C 13 175.5552 0.0000 . 1 . . . . . 202 PHE C . 27314 1 670 . 1 1 202 202 PHE CA C 13 56.0087 0.0000 . 1 . . . . . 202 PHE CA . 27314 1 671 . 1 1 202 202 PHE CB C 13 40.5429 0.0000 . 1 . . . . . 202 PHE CB . 27314 1 672 . 1 1 202 202 PHE N N 15 124.8455 0.0000 . 1 . . 51170 . . 202 PHE N . 27314 1 673 . 1 1 203 203 VAL H H 1 8.6696 0.0000 . 1 . . 49180 . . 203 VAL H . 27314 1 674 . 1 1 203 203 VAL C C 13 176.2659 0.0000 . 1 . . . . . 203 VAL C . 27314 1 675 . 1 1 203 203 VAL CA C 13 62.5465 0.0000 . 1 . . . . . 203 VAL CA . 27314 1 676 . 1 1 203 203 VAL CB C 13 34.7406 0.0000 . 1 . . . . . 203 VAL CB . 27314 1 677 . 1 1 203 203 VAL N N 15 122.8781 0.0000 . 1 . . 49181 . . 203 VAL N . 27314 1 678 . 1 1 204 204 GLU H H 1 8.8838 0.0000 . 1 . . 51754 . . 204 GLU H . 27314 1 679 . 1 1 204 204 GLU C C 13 176.3512 0.0000 . 1 . . . . . 204 GLU C . 27314 1 680 . 1 1 204 204 GLU CA C 13 55.6967 0.0000 . 1 . . . . . 204 GLU CA . 27314 1 681 . 1 1 204 204 GLU CB C 13 31.2788 0.0000 . 1 . . . . . 204 GLU CB . 27314 1 682 . 1 1 204 204 GLU N N 15 126.7133 0.0000 . 1 . . 51755 . . 204 GLU N . 27314 1 683 . 1 1 205 205 GLY H H 1 7.7040 0.0000 . 1 . . 51175 . . 205 GLY H . 27314 1 684 . 1 1 205 205 GLY CA C 13 44.6775 0.0000 . 1 . . . . . 205 GLY CA . 27314 1 685 . 1 1 205 205 GLY N N 15 103.8904 0.0000 . 1 . . 51176 . . 205 GLY N . 27314 1 686 . 1 1 211 211 GLY C C 13 173.4495 0.0000 . 1 . . . . . 211 GLY C . 27314 1 687 . 1 1 211 211 GLY CA C 13 45.5581 0.0000 . 1 . . . . . 211 GLY CA . 27314 1 688 . 1 1 212 212 ASP H H 1 8.0546 0.0000 . 1 . . . . . 212 ASP H . 27314 1 689 . 1 1 212 212 ASP C C 13 176.0711 0.0000 . 1 . . . . . 212 ASP C . 27314 1 690 . 1 1 212 212 ASP CA C 13 53.6486 0.0000 . 1 . . . . . 212 ASP CA . 27314 1 691 . 1 1 212 212 ASP CB C 13 44.1932 0.0000 . 1 . . . . . 212 ASP CB . 27314 1 692 . 1 1 212 212 ASP N N 15 122.6946 0.0000 . 1 . . . . . 212 ASP N . 27314 1 693 . 1 1 213 213 SER H H 1 8.3837 0.0000 . 1 . . 49873 . . 213 SER H . 27314 1 694 . 1 1 213 213 SER C C 13 172.9419 0.0000 . 1 . . . . . 213 SER C . 27314 1 695 . 1 1 213 213 SER CA C 13 58.3647 0.0000 . 1 . . . . . 213 SER CA . 27314 1 696 . 1 1 213 213 SER CB C 13 65.4535 0.0000 . 1 . . . . . 213 SER CB . 27314 1 697 . 1 1 213 213 SER N N 15 119.9823 0.0000 . 1 . . 49874 . . 213 SER N . 27314 1 698 . 1 1 214 214 TYR H H 1 8.8368 0.0000 . 1 . . 51700 . . 214 TYR H . 27314 1 699 . 1 1 214 214 TYR C C 13 174.1472 0.0000 . 1 . . . . . 214 TYR C . 27314 1 700 . 1 1 214 214 TYR CA C 13 55.5215 0.0000 . 1 . . . . . 214 TYR CA . 27314 1 701 . 1 1 214 214 TYR CB C 13 43.1872 0.0000 . 1 . . . . . 214 TYR CB . 27314 1 702 . 1 1 214 214 TYR N N 15 127.6565 0.0000 . 1 . . 51701 . . 214 TYR N . 27314 1 703 . 1 1 215 215 TRP H H 1 5.5138 0.0000 . 1 . . 51532 . . 215 TRP H . 27314 1 704 . 1 1 215 215 TRP C C 13 175.6296 0.0000 . 1 . . . . . 215 TRP C . 27314 1 705 . 1 1 215 215 TRP CA C 13 57.2537 0.0000 . 1 . . . . . 215 TRP CA . 27314 1 706 . 1 1 215 215 TRP CB C 13 29.6962 0.0000 . 1 . . . . . 215 TRP CB . 27314 1 707 . 1 1 215 215 TRP N N 15 123.0177 0.0000 . 1 . . 51533 . . 215 TRP N . 27314 1 708 . 1 1 216 216 TRP H H 1 8.0719 0.0000 . 1 . . 51298 . . 216 TRP H . 27314 1 709 . 1 1 216 216 TRP C C 13 176.8763 0.0000 . 1 . . . . . 216 TRP C . 27314 1 710 . 1 1 216 216 TRP CA C 13 56.9749 0.0000 . 1 . . . . . 216 TRP CA . 27314 1 711 . 1 1 216 216 TRP CB C 13 30.1594 0.0000 . 1 . . . . . 216 TRP CB . 27314 1 712 . 1 1 216 216 TRP N N 15 118.3591 0.0000 . 1 . . 51299 . . 216 TRP N . 27314 1 713 . 1 1 217 217 GLY H H 1 7.0096 0.0000 . 1 . . 51745 . . 217 GLY H . 27314 1 714 . 1 1 217 217 GLY C C 13 173.6909 0.0000 . 1 . . . . . 217 GLY C . 27314 1 715 . 1 1 217 217 GLY CA C 13 46.1927 0.0000 . 1 . . . . . 217 GLY CA . 27314 1 716 . 1 1 217 217 GLY N N 15 106.2158 0.0000 . 1 . . 51746 . . 217 GLY N . 27314 1 717 . 1 1 218 218 GLY H H 1 8.6531 0.0000 . 1 . . 51376 . . 218 GLY H . 27314 1 718 . 1 1 218 218 GLY C C 13 171.7310 0.0000 . 1 . . . . . 218 GLY C . 27314 1 719 . 1 1 218 218 GLY CA C 13 45.9181 0.0000 . 1 . . . . . 218 GLY CA . 27314 1 720 . 1 1 218 218 GLY N N 15 103.3855 0.0000 . 1 . . 51377 . . 218 GLY N . 27314 1 721 . 1 1 219 219 ASN H H 1 9.3148 0.0000 . 1 . . 50167 . . 219 ASN H . 27314 1 722 . 1 1 219 219 ASN C C 13 176.5416 0.0000 . 1 . . . . . 219 ASN C . 27314 1 723 . 1 1 219 219 ASN CA C 13 53.1373 0.0000 . 1 . . . . . 219 ASN CA . 27314 1 724 . 1 1 219 219 ASN CB C 13 38.9136 0.0000 . 1 . . . . . 219 ASN CB . 27314 1 725 . 1 1 219 219 ASN N N 15 115.7027 0.0000 . 1 . . 50168 . . 219 ASN N . 27314 1 726 . 1 1 220 220 LEU H H 1 8.9825 0.0000 . 1 . . 48826 . . 220 LEU H . 27314 1 727 . 1 1 220 220 LEU C C 13 179.1152 0.0000 . 1 . . . . . 220 LEU C . 27314 1 728 . 1 1 220 220 LEU CA C 13 53.9410 0.0000 . 1 . . . . . 220 LEU CA . 27314 1 729 . 1 1 220 220 LEU CB C 13 41.1895 0.0000 . 1 . . . . . 220 LEU CB . 27314 1 730 . 1 1 220 220 LEU N N 15 129.9352 0.0000 . 1 . . 48827 . . 220 LEU N . 27314 1 731 . 1 1 221 221 GLN H H 1 8.6308 0.0000 . 1 . . 49249 . . 221 GLN H . 27314 1 732 . 1 1 221 221 GLN C C 13 176.5519 0.0000 . 1 . . . . . 221 GLN C . 27314 1 733 . 1 1 221 221 GLN CA C 13 60.4376 0.0000 . 1 . . . . . 221 GLN CA . 27314 1 734 . 1 1 221 221 GLN CB C 13 29.9271 0.0000 . 1 . . . . . 221 GLN CB . 27314 1 735 . 1 1 221 221 GLN N N 15 122.6064 0.0000 . 1 . . 49250 . . 221 GLN N . 27314 1 736 . 1 1 222 222 GLY H H 1 7.8529 0.0000 . 1 . . 51184 . . 222 GLY H . 27314 1 737 . 1 1 222 222 GLY C C 13 173.6641 0.0000 . 1 . . . . . 222 GLY C . 27314 1 738 . 1 1 222 222 GLY CA C 13 45.7577 0.0000 . 1 . . . . . 222 GLY CA . 27314 1 739 . 1 1 222 222 GLY N N 15 103.3276 0.0000 . 1 . . 51185 . . 222 GLY N . 27314 1 740 . 1 1 223 223 ALA H H 1 6.4230 0.0000 . 1 . . 49210 . . 223 ALA H . 27314 1 741 . 1 1 223 223 ALA C C 13 177.6053 0.0000 . 1 . . . . . 223 ALA C . 27314 1 742 . 1 1 223 223 ALA CA C 13 54.7738 0.0000 . 1 . . . . . 223 ALA CA . 27314 1 743 . 1 1 223 223 ALA CB C 13 18.3294 0.0000 . 1 . . . . . 223 ALA CB . 27314 1 744 . 1 1 223 223 ALA N N 15 121.4055 0.0000 . 1 . . 49211 . . 223 ALA N . 27314 1 745 . 1 1 224 224 GLY H H 1 7.6769 0.0000 . 1 . . 51193 . . 224 GLY H . 27314 1 746 . 1 1 224 224 GLY C C 13 175.0133 0.0000 . 1 . . . . . 224 GLY C . 27314 1 747 . 1 1 224 224 GLY CA C 13 46.4709 0.0000 . 1 . . . . . 224 GLY CA . 27314 1 748 . 1 1 224 224 GLY N N 15 102.5924 0.0000 . 1 . . 51194 . . 224 GLY N . 27314 1 749 . 1 1 225 225 GLN H H 1 7.8266 0.0000 . 1 . . 49960 . . 225 GLN H . 27314 1 750 . 1 1 225 225 GLN C C 13 175.3757 0.0000 . 1 . . . . . 225 GLN C . 27314 1 751 . 1 1 225 225 GLN CA C 13 56.7706 0.0000 . 1 . . . . . 225 GLN CA . 27314 1 752 . 1 1 225 225 GLN CB C 13 30.1590 0.0000 . 1 . . . . . 225 GLN CB . 27314 1 753 . 1 1 225 225 GLN N N 15 119.0954 0.0000 . 1 . . 49961 . . 225 GLN N . 27314 1 754 . 1 1 226 226 TYR H H 1 8.2408 0.0000 . 1 . . 51199 . . 226 TYR H . 27314 1 755 . 1 1 226 226 TYR C C 13 171.7272 0.0000 . 1 . . . . . 226 TYR C . 27314 1 756 . 1 1 226 226 TYR CA C 13 54.4130 0.0000 . 1 . . . . . 226 TYR CA . 27314 1 757 . 1 1 226 226 TYR CB C 13 38.4430 0.0000 . 1 . . . . . 226 TYR CB . 27314 1 758 . 1 1 226 226 TYR N N 15 116.9610 0.0000 . 1 . . 51200 . . 226 TYR N . 27314 1 759 . 1 1 227 227 PRO C C 13 178.7671 0.0000 . 1 . . . . . 227 PRO C . 27314 1 760 . 1 1 227 227 PRO CA C 13 63.1758 0.0000 . 1 . . . . . 227 PRO CA . 27314 1 761 . 1 1 227 227 PRO CB C 13 32.5863 0.0000 . 1 . . . . . 227 PRO CB . 27314 1 762 . 1 1 228 228 VAL H H 1 7.4267 0.0000 . 1 . . 48814 . . 228 VAL H . 27314 1 763 . 1 1 228 228 VAL C C 13 174.5261 0.0000 . 1 . . . . . 228 VAL C . 27314 1 764 . 1 1 228 228 VAL CA C 13 63.4645 0.0000 . 1 . . . . . 228 VAL CA . 27314 1 765 . 1 1 228 228 VAL CB C 13 32.1024 0.0000 . 1 . . . . . 228 VAL CB . 27314 1 766 . 1 1 228 228 VAL N N 15 121.5128 0.0000 . 1 . . 48815 . . 228 VAL N . 27314 1 767 . 1 1 229 229 VAL H H 1 9.7256 0.0000 . 1 . . 49114 . . 229 VAL H . 27314 1 768 . 1 1 229 229 VAL C C 13 175.1349 0.0000 . 1 . . . . . 229 VAL C . 27314 1 769 . 1 1 229 229 VAL CA C 13 62.5739 0.0000 . 1 . . . . . 229 VAL CA . 27314 1 770 . 1 1 229 229 VAL CB C 13 31.4684 0.0000 . 1 . . . . . 229 VAL CB . 27314 1 771 . 1 1 229 229 VAL N N 15 132.1568 0.0000 . 1 . . 49115 . . 229 VAL N . 27314 1 772 . 1 1 230 230 LEU H H 1 7.8498 0.0000 . 1 . . 49084 . . 230 LEU H . 27314 1 773 . 1 1 230 230 LEU C C 13 178.6206 0.0000 . 1 . . . . . 230 LEU C . 27314 1 774 . 1 1 230 230 LEU CA C 13 52.6167 0.0000 . 1 . . . . . 230 LEU CA . 27314 1 775 . 1 1 230 230 LEU CB C 13 42.8541 0.0000 . 1 . . . . . 230 LEU CB . 27314 1 776 . 1 1 230 230 LEU N N 15 124.2117 0.0000 . 1 . . 49085 . . 230 LEU N . 27314 1 777 . 1 1 231 231 ASN H H 1 9.2049 0.0000 . 1 . . 50047 . . 231 ASN H . 27314 1 778 . 1 1 231 231 ASN C C 13 175.0294 0.0000 . 1 . . . . . 231 ASN C . 27314 1 779 . 1 1 231 231 ASN CA C 13 54.1962 0.0000 . 1 . . . . . 231 ASN CA . 27314 1 780 . 1 1 231 231 ASN CB C 13 38.3250 0.0000 . 1 . . . . . 231 ASN CB . 27314 1 781 . 1 1 231 231 ASN N N 15 116.9725 0.0000 . 1 . . 50048 . . 231 ASN N . 27314 1 782 . 1 1 232 232 VAL H H 1 6.4656 0.0000 . 1 . . 49837 . . 232 VAL H . 27314 1 783 . 1 1 232 232 VAL C C 13 173.2572 0.0000 . 1 . . . . . 232 VAL C . 27314 1 784 . 1 1 232 232 VAL CA C 13 59.1082 0.0000 . 1 . . . . . 232 VAL CA . 27314 1 785 . 1 1 232 232 VAL CB C 13 34.3516 0.0000 . 1 . . . . . 232 VAL CB . 27314 1 786 . 1 1 232 232 VAL N N 15 118.2906 0.0000 . 1 . . 49838 . . 232 VAL N . 27314 1 787 . 1 1 233 233 PRO C C 13 176.4387 0.0000 . 1 . . . . . 233 PRO C . 27314 1 788 . 1 1 233 233 PRO CA C 13 62.6148 0.0000 . 1 . . . . . 233 PRO CA . 27314 1 789 . 1 1 233 233 PRO CB C 13 32.5697 0.0000 . 1 . . . . . 233 PRO CB . 27314 1 790 . 1 1 234 234 ASN H H 1 8.6412 0.0000 . 1 . . 51082 . . 234 ASN H . 27314 1 791 . 1 1 234 234 ASN C C 13 177.3072 0.0000 . 1 . . . . . 234 ASN C . 27314 1 792 . 1 1 234 234 ASN CA C 13 55.7074 0.0000 . 1 . . . . . 234 ASN CA . 27314 1 793 . 1 1 234 234 ASN CB C 13 36.2357 0.0000 . 1 . . . . . 234 ASN CB . 27314 1 794 . 1 1 234 234 ASN N N 15 112.8165 0.0000 . 1 . . 51083 . . 234 ASN N . 27314 1 795 . 1 1 235 235 ARG H H 1 8.7889 0.0000 . 1 . . 50122 . . 235 ARG H . 27314 1 796 . 1 1 235 235 ARG C C 13 173.7939 0.0000 . 1 . . . . . 235 ARG C . 27314 1 797 . 1 1 235 235 ARG CA C 13 54.0530 0.0000 . 1 . . . . . 235 ARG CA . 27314 1 798 . 1 1 235 235 ARG CB C 13 31.8093 0.0000 . 1 . . . . . 235 ARG CB . 27314 1 799 . 1 1 235 235 ARG N N 15 116.1046 0.0000 . 1 . . 50123 . . 235 ARG N . 27314 1 800 . 1 1 236 236 LEU H H 1 6.8521 0.0000 . 1 . . 51205 . . 236 LEU H . 27314 1 801 . 1 1 236 236 LEU C C 13 175.0941 0.0000 . 1 . . . . . 236 LEU C . 27314 1 802 . 1 1 236 236 LEU CA C 13 54.8679 0.0000 . 1 . . . . . 236 LEU CA . 27314 1 803 . 1 1 236 236 LEU CB C 13 44.1770 0.0000 . 1 . . . . . 236 LEU CB . 27314 1 804 . 1 1 236 236 LEU N N 15 120.6776 0.0000 . 1 . . 51206 . . 236 LEU N . 27314 1 805 . 1 1 237 237 VAL H H 1 8.6477 0.0000 . 1 . . 48913 . . 237 VAL H . 27314 1 806 . 1 1 237 237 VAL C C 13 175.9703 0.0000 . 1 . . . . . 237 VAL C . 27314 1 807 . 1 1 237 237 VAL CA C 13 61.1072 0.0000 . 1 . . . . . 237 VAL CA . 27314 1 808 . 1 1 237 237 VAL CB C 13 34.5029 0.0000 . 1 . . . . . 237 VAL CB . 27314 1 809 . 1 1 237 237 VAL N N 15 126.9130 0.0000 . 1 . . 48914 . . 237 VAL N . 27314 1 810 . 1 1 238 238 TYR H H 1 7.7772 0.0000 . 1 . . 49060 . . 238 TYR H . 27314 1 811 . 1 1 238 238 TYR C C 13 176.0883 0.0000 . 1 . . . . . 238 TYR C . 27314 1 812 . 1 1 238 238 TYR CA C 13 58.7937 0.0000 . 1 . . . . . 238 TYR CA . 27314 1 813 . 1 1 238 238 TYR CB C 13 41.1665 0.0000 . 1 . . . . . 238 TYR CB . 27314 1 814 . 1 1 238 238 TYR N N 15 124.4235 0.0000 . 1 . . 49061 . . 238 TYR N . 27314 1 815 . 1 1 239 239 SER H H 1 9.2082 0.0000 . 1 . . 50179 . . 239 SER H . 27314 1 816 . 1 1 239 239 SER C C 13 170.3878 0.0000 . 1 . . . . . 239 SER C . 27314 1 817 . 1 1 239 239 SER CA C 13 54.6017 0.0000 . 1 . . . . . 239 SER CA . 27314 1 818 . 1 1 239 239 SER CB C 13 66.2244 0.0000 . 1 . . . . . 239 SER CB . 27314 1 819 . 1 1 239 239 SER N N 15 115.3187 0.0000 . 1 . . 50180 . . 239 SER N . 27314 1 820 . 1 1 240 240 ALA H H 1 7.6920 0.0000 . 1 . . 51217 . . 240 ALA H . 27314 1 821 . 1 1 240 240 ALA C C 13 176.6657 0.0000 . 1 . . . . . 240 ALA C . 27314 1 822 . 1 1 240 240 ALA CA C 13 49.0568 0.0000 . 1 . . . . . 240 ALA CA . 27314 1 823 . 1 1 240 240 ALA CB C 13 23.0310 0.0000 . 1 . . . . . 240 ALA CB . 27314 1 824 . 1 1 240 240 ALA N N 15 124.4600 0.0000 . 1 . . 51218 . . 240 ALA N . 27314 1 825 . 1 1 241 241 HIS H H 1 6.2073 0.0000 . 1 . . 51223 . . 241 HIS H . 27314 1 826 . 1 1 241 241 HIS C C 13 171.2399 0.0000 . 1 . . . . . 241 HIS C . 27314 1 827 . 1 1 241 241 HIS CA C 13 52.5925 0.0000 . 1 . . . . . 241 HIS CA . 27314 1 828 . 1 1 241 241 HIS CB C 13 32.9247 0.0000 . 1 . . . . . 241 HIS CB . 27314 1 829 . 1 1 241 241 HIS N N 15 117.1947 0.0000 . 1 . . 51224 . . 241 HIS N . 27314 1 830 . 1 1 243 243 TYR C C 13 171.3995 0.0000 . 1 . . . . . 243 TYR C . 27314 1 831 . 1 1 243 243 TYR CA C 13 57.5657 0.0000 . 1 . . . . . 243 TYR CA . 27314 1 832 . 1 1 243 243 TYR CB C 13 42.3674 0.0000 . 1 . . . . . 243 TYR CB . 27314 1 833 . 1 1 244 244 ALA H H 1 7.4569 0.0000 . 1 . . 49381 . . 244 ALA H . 27314 1 834 . 1 1 244 244 ALA C C 13 177.0290 0.0000 . 1 . . . . . 244 ALA C . 27314 1 835 . 1 1 244 244 ALA CA C 13 50.6594 0.0000 . 1 . . . . . 244 ALA CA . 27314 1 836 . 1 1 244 244 ALA CB C 13 16.1105 0.0000 . 1 . . . . . 244 ALA CB . 27314 1 837 . 1 1 244 244 ALA N N 15 121.6272 0.0000 . 1 . . 49382 . . 244 ALA N . 27314 1 838 . 1 1 245 245 THR H H 1 7.6500 0.0000 . 1 . . 51421 . . 245 THR H . 27314 1 839 . 1 1 245 245 THR C C 13 177.6054 0.0000 . 1 . . . . . 245 THR C . 27314 1 840 . 1 1 245 245 THR CA C 13 64.5023 0.0000 . 1 . . . . . 245 THR CA . 27314 1 841 . 1 1 245 245 THR CB C 13 69.1429 0.0000 . 1 . . . . . 245 THR CB . 27314 1 842 . 1 1 245 245 THR N N 15 109.0510 0.0000 . 1 . . 51422 . . 245 THR N . 27314 1 843 . 1 1 246 246 SER H H 1 8.8851 0.0000 . 1 . . 49807 . . 246 SER H . 27314 1 844 . 1 1 246 246 SER C C 13 174.4520 0.0000 . 1 . . . . . 246 SER C . 27314 1 845 . 1 1 246 246 SER CA C 13 61.5163 0.0000 . 1 . . . . . 246 SER CA . 27314 1 846 . 1 1 246 246 SER CB C 13 63.2147 0.0000 . 1 . . . . . 246 SER CB . 27314 1 847 . 1 1 246 246 SER N N 15 118.4520 0.0000 . 1 . . 49808 . . 246 SER N . 27314 1 848 . 1 1 247 247 VAL H H 1 7.2359 0.0000 . 1 . . 51427 . . 247 VAL H . 27314 1 849 . 1 1 247 247 VAL C C 13 176.7645 0.0000 . 1 . . . . . 247 VAL C . 27314 1 850 . 1 1 247 247 VAL CA C 13 65.0713 0.0000 . 1 . . . . . 247 VAL CA . 27314 1 851 . 1 1 247 247 VAL CB C 13 31.8449 0.0000 . 1 . . . . . 247 VAL CB . 27314 1 852 . 1 1 247 247 VAL N N 15 122.2450 0.0000 . 1 . . 51428 . . 247 VAL N . 27314 1 853 . 1 1 248 248 GLY H H 1 7.8328 0.0000 . 1 . . 51430 . . 248 GLY H . 27314 1 854 . 1 1 248 248 GLY C C 13 168.8959 0.0000 . 1 . . . . . 248 GLY C . 27314 1 855 . 1 1 248 248 GLY CA C 13 45.7945 0.0000 . 1 . . . . . 248 GLY CA . 27314 1 856 . 1 1 248 248 GLY N N 15 107.5897 0.0000 . 1 . . 51431 . . 248 GLY N . 27314 1 857 . 1 1 251 251 THR CA C 13 67.0272 0.0000 . 1 . . . . . 251 THR CA . 27314 1 858 . 1 1 251 251 THR CB C 13 68.5350 0.0000 . 1 . . . . . 251 THR CB . 27314 1 859 . 1 1 252 252 TRP H H 1 8.3243 0.0000 . 1 . . . . . 252 TRP H . 27314 1 860 . 1 1 252 252 TRP CA C 13 59.9503 0.0000 . 1 . . . . . 252 TRP CA . 27314 1 861 . 1 1 252 252 TRP CB C 13 28.2654 0.0000 . 1 . . . . . 252 TRP CB . 27314 1 862 . 1 1 252 252 TRP N N 15 123.8806 0.0000 . 1 . . . . . 252 TRP N . 27314 1 863 . 1 1 256 256 PRO C C 13 177.7033 0.0000 . 1 . . . . . 256 PRO C . 27314 1 864 . 1 1 256 256 PRO CA C 13 64.9331 0.0000 . 1 . . . . . 256 PRO CA . 27314 1 865 . 1 1 256 256 PRO CB C 13 32.2371 0.0000 . 1 . . . . . 256 PRO CB . 27314 1 866 . 1 1 257 257 THR H H 1 9.2200 0.0000 . 1 . . 51793 . . 257 THR H . 27314 1 867 . 1 1 257 257 THR C C 13 174.7765 0.0000 . 1 . . . . . 257 THR C . 27314 1 868 . 1 1 257 257 THR CA C 13 61.8014 0.0000 . 1 . . . . . 257 THR CA . 27314 1 869 . 1 1 257 257 THR CB C 13 70.0964 0.0000 . 1 . . . . . 257 THR CB . 27314 1 870 . 1 1 257 257 THR N N 15 109.3894 0.0000 . 1 . . 51794 . . 257 THR N . 27314 1 871 . 1 1 258 258 PHE H H 1 8.0721 0.0000 . 1 . . 51829 . . 258 PHE H . 27314 1 872 . 1 1 258 258 PHE C C 13 175.3786 0.0000 . 1 . . . . . 258 PHE C . 27314 1 873 . 1 1 258 258 PHE CA C 13 56.7270 0.0000 . 1 . . . . . 258 PHE CA . 27314 1 874 . 1 1 258 258 PHE CB C 13 39.9145 0.0000 . 1 . . . . . 258 PHE CB . 27314 1 875 . 1 1 258 258 PHE N N 15 125.7070 0.0000 . 1 . . 51830 . . 258 PHE N . 27314 1 876 . 1 1 259 259 PRO C C 13 176.7480 0.0000 . 1 . . . . . 259 PRO C . 27314 1 877 . 1 1 259 259 PRO CA C 13 64.5326 0.0000 . 1 . . . . . 259 PRO CA . 27314 1 878 . 1 1 259 259 PRO CB C 13 32.6894 0.0000 . 1 . . . . . 259 PRO CB . 27314 1 879 . 1 1 260 260 ASN H H 1 9.2429 0.0000 . 1 . . 49855 . . 260 ASN H . 27314 1 880 . 1 1 260 260 ASN C C 13 174.6056 0.0000 . 1 . . . . . 260 ASN C . 27314 1 881 . 1 1 260 260 ASN CA C 13 56.0614 0.0000 . 1 . . . . . 260 ASN CA . 27314 1 882 . 1 1 260 260 ASN CB C 13 38.1437 0.0000 . 1 . . . . . 260 ASN CB . 27314 1 883 . 1 1 260 260 ASN N N 15 126.6364 0.0000 . 1 . . 49856 . . 260 ASN N . 27314 1 884 . 1 1 261 261 ASN H H 1 8.9402 0.0000 . 1 . . 50293 . . 261 ASN H . 27314 1 885 . 1 1 261 261 ASN C C 13 176.3604 0.0000 . 1 . . . . . 261 ASN C . 27314 1 886 . 1 1 261 261 ASN CA C 13 53.9779 0.0000 . 1 . . . . . 261 ASN CA . 27314 1 887 . 1 1 261 261 ASN CB C 13 35.8789 0.0000 . 1 . . . . . 261 ASN CB . 27314 1 888 . 1 1 261 261 ASN N N 15 114.2592 0.0000 . 1 . . 50294 . . 261 ASN N . 27314 1 889 . 1 1 262 262 MET H H 1 7.2717 0.0000 . 1 . . 51949 . . 262 MET H . 27314 1 890 . 1 1 262 262 MET C C 13 174.1119 0.0000 . 1 . . . . . 262 MET C . 27314 1 891 . 1 1 262 262 MET CA C 13 56.1674 0.0000 . 1 . . . . . 262 MET CA . 27314 1 892 . 1 1 262 262 MET CB C 13 24.7590 0.0000 . 1 . . . . . 262 MET CB . 27314 1 893 . 1 1 262 262 MET N N 15 120.0025 0.0000 . 1 . . 51950 . . 262 MET N . 27314 1 894 . 1 1 263 263 PRO C C 13 177.5724 0.0000 . 1 . . . . . 263 PRO C . 27314 1 895 . 1 1 263 263 PRO CA C 13 66.4239 0.0000 . 1 . . . . . 263 PRO CA . 27314 1 896 . 1 1 263 263 PRO CB C 13 30.4136 0.0000 . 1 . . . . . 263 PRO CB . 27314 1 897 . 1 1 264 264 GLY H H 1 7.6875 0.0000 . 1 . . 50440 . . 264 GLY H . 27314 1 898 . 1 1 264 264 GLY C C 13 176.4873 0.0000 . 1 . . . . . 264 GLY C . 27314 1 899 . 1 1 264 264 GLY CA C 13 47.0650 0.0000 . 1 . . . . . 264 GLY CA . 27314 1 900 . 1 1 264 264 GLY N N 15 102.5847 0.0000 . 1 . . 50441 . . 264 GLY N . 27314 1 901 . 1 1 265 265 ILE H H 1 6.9495 0.0000 . 1 . . 49012 . . 265 ILE H . 27314 1 902 . 1 1 265 265 ILE C C 13 178.4983 0.0000 . 1 . . . . . 265 ILE C . 27314 1 903 . 1 1 265 265 ILE CA C 13 63.9580 0.0000 . 1 . . . . . 265 ILE CA . 27314 1 904 . 1 1 265 265 ILE CB C 13 36.9969 0.0000 . 1 . . . . . 265 ILE CB . 27314 1 905 . 1 1 265 265 ILE N N 15 125.2875 0.0000 . 1 . . 49013 . . 265 ILE N . 27314 1 906 . 1 1 266 266 TRP H H 1 8.0908 0.0000 . 1 . . 51646 . . 266 TRP H . 27314 1 907 . 1 1 266 266 TRP C C 13 179.5068 0.0000 . 1 . . . . . 266 TRP C . 27314 1 908 . 1 1 266 266 TRP CA C 13 58.7284 0.0000 . 1 . . . . . 266 TRP CA . 27314 1 909 . 1 1 266 266 TRP CB C 13 27.8753 0.0000 . 1 . . . . . 266 TRP CB . 27314 1 910 . 1 1 266 266 TRP N N 15 123.1524 0.0000 . 1 . . 51647 . . 266 TRP N . 27314 1 911 . 1 1 267 267 ASN H H 1 9.1336 0.0000 . 1 . . 49756 . . 267 ASN H . 27314 1 912 . 1 1 267 267 ASN C C 13 176.2659 0.0000 . 1 . . . . . 267 ASN C . 27314 1 913 . 1 1 267 267 ASN CA C 13 55.9917 0.0000 . 1 . . . . . 267 ASN CA . 27314 1 914 . 1 1 267 267 ASN CB C 13 38.1411 0.0000 . 1 . . . . . 267 ASN CB . 27314 1 915 . 1 1 267 267 ASN N N 15 118.6414 0.0000 . 1 . . 49757 . . 267 ASN N . 27314 1 916 . 1 1 268 268 LYS H H 1 7.2838 0.0000 . 1 . . 51448 . . 268 LYS H . 27314 1 917 . 1 1 268 268 LYS C C 13 176.7232 0.0000 . 1 . . . . . 268 LYS C . 27314 1 918 . 1 1 268 268 LYS CA C 13 58.9228 0.0000 . 1 . . . . . 268 LYS CA . 27314 1 919 . 1 1 268 268 LYS CB C 13 32.5468 0.0000 . 1 . . . . . 268 LYS CB . 27314 1 920 . 1 1 268 268 LYS N N 15 116.2942 0.0000 . 1 . . 51449 . . 268 LYS N . 27314 1 921 . 1 1 269 269 ASN H H 1 7.0146 0.0000 . 1 . . 51232 . . 269 ASN H . 27314 1 922 . 1 1 269 269 ASN C C 13 174.5500 0.0000 . 1 . . . . . 269 ASN C . 27314 1 923 . 1 1 269 269 ASN CA C 13 57.4356 0.0000 . 1 . . . . . 269 ASN CA . 27314 1 924 . 1 1 269 269 ASN CB C 13 41.8242 0.0000 . 1 . . . . . 269 ASN CB . 27314 1 925 . 1 1 269 269 ASN N N 15 111.9272 0.0000 . 1 . . 51233 . . 269 ASN N . 27314 1 926 . 1 1 270 270 TRP H H 1 7.5267 0.0000 . 1 . . 51235 . . 270 TRP H . 27314 1 927 . 1 1 270 270 TRP C C 13 176.0146 0.0000 . 1 . . . . . 270 TRP C . 27314 1 928 . 1 1 270 270 TRP CA C 13 58.7928 0.0000 . 1 . . . . . 270 TRP CA . 27314 1 929 . 1 1 270 270 TRP CB C 13 30.4475 0.0000 . 1 . . . . . 270 TRP CB . 27314 1 930 . 1 1 270 270 TRP N N 15 110.6995 0.0000 . 1 . . 51236 . . 270 TRP N . 27314 1 931 . 1 1 271 271 GLY H H 1 8.7638 0.0000 . 1 . . 51241 . . 271 GLY H . 27314 1 932 . 1 1 271 271 GLY C C 13 177.0033 0.0000 . 1 . . . . . 271 GLY C . 27314 1 933 . 1 1 271 271 GLY CA C 13 47.9449 0.0000 . 1 . . . . . 271 GLY CA . 27314 1 934 . 1 1 271 271 GLY N N 15 110.5908 0.0000 . 1 . . 51242 . . 271 GLY N . 27314 1 935 . 1 1 272 272 TYR H H 1 9.3327 0.0000 . 1 . . 49675 . . 272 TYR H . 27314 1 936 . 1 1 272 272 TYR C C 13 175.8765 0.0000 . 1 . . . . . 272 TYR C . 27314 1 937 . 1 1 272 272 TYR CA C 13 60.5559 0.0000 . 1 . . . . . 272 TYR CA . 27314 1 938 . 1 1 272 272 TYR CB C 13 35.4900 0.0000 . 1 . . . . . 272 TYR CB . 27314 1 939 . 1 1 272 272 TYR N N 15 120.5067 0.0000 . 1 . . 49676 . . 272 TYR N . 27314 1 940 . 1 1 273 273 LEU H H 1 6.2576 0.0000 . 1 . . 49093 . . 273 LEU H . 27314 1 941 . 1 1 273 273 LEU C C 13 177.6111 0.0000 . 1 . . . . . 273 LEU C . 27314 1 942 . 1 1 273 273 LEU CA C 13 57.6657 0.0000 . 1 . . . . . 273 LEU CA . 27314 1 943 . 1 1 273 273 LEU CB C 13 42.5532 0.0000 . 1 . . . . . 273 LEU CB . 27314 1 944 . 1 1 273 273 LEU N N 15 122.2160 0.0000 . 1 . . 49094 . . 273 LEU N . 27314 1 945 . 1 1 274 274 PHE H H 1 7.0468 0.0000 . 1 . . 49006 . . 274 PHE H . 27314 1 946 . 1 1 274 274 PHE C C 13 179.5468 0.0000 . 1 . . . . . 274 PHE C . 27314 1 947 . 1 1 274 274 PHE CA C 13 60.3871 0.0000 . 1 . . . . . 274 PHE CA . 27314 1 948 . 1 1 274 274 PHE CB C 13 41.9675 0.0000 . 1 . . . . . 274 PHE CB . 27314 1 949 . 1 1 274 274 PHE N N 15 119.5388 0.0000 . 1 . . 49007 . . 274 PHE N . 27314 1 950 . 1 1 275 275 ASN H H 1 8.8045 0.0000 . 1 . . 51253 . . 275 ASN H . 27314 1 951 . 1 1 275 275 ASN C C 13 176.9179 0.0000 . 1 . . . . . 275 ASN C . 27314 1 952 . 1 1 275 275 ASN CA C 13 56.2853 0.0000 . 1 . . . . . 275 ASN CA . 27314 1 953 . 1 1 275 275 ASN CB C 13 37.9909 0.0000 . 1 . . . . . 275 ASN CB . 27314 1 954 . 1 1 275 275 ASN N N 15 121.2421 0.0000 . 1 . . 51254 . . 275 ASN N . 27314 1 955 . 1 1 276 276 GLN H H 1 8.1047 0.0000 . 1 . . 51259 . . 276 GLN H . 27314 1 956 . 1 1 276 276 GLN C C 13 175.0647 0.0000 . 1 . . . . . 276 GLN C . 27314 1 957 . 1 1 276 276 GLN CA C 13 55.7226 0.0000 . 1 . . . . . 276 GLN CA . 27314 1 958 . 1 1 276 276 GLN CB C 13 28.4858 0.0000 . 1 . . . . . 276 GLN CB . 27314 1 959 . 1 1 276 276 GLN N N 15 114.3235 0.0000 . 1 . . 51260 . . 276 GLN N . 27314 1 960 . 1 1 277 277 ASN H H 1 8.0409 0.0000 . 1 . . 51262 . . 277 ASN H . 27314 1 961 . 1 1 277 277 ASN C C 13 173.5275 0.0000 . 1 . . . . . 277 ASN C . 27314 1 962 . 1 1 277 277 ASN CA C 13 54.4900 0.0000 . 1 . . . . . 277 ASN CA . 27314 1 963 . 1 1 277 277 ASN CB C 13 37.6169 0.0000 . 1 . . . . . 277 ASN CB . 27314 1 964 . 1 1 277 277 ASN N N 15 117.3976 0.0000 . 1 . . 51263 . . 277 ASN N . 27314 1 965 . 1 1 278 278 ILE H H 1 8.2774 0.0000 . 1 . . 51268 . . 278 ILE H . 27314 1 966 . 1 1 278 278 ILE C C 13 176.4984 0.0000 . 1 . . . . . 278 ILE C . 27314 1 967 . 1 1 278 278 ILE CA C 13 64.0913 0.0000 . 1 . . . . . 278 ILE CA . 27314 1 968 . 1 1 278 278 ILE CB C 13 38.1363 0.0000 . 1 . . . . . 278 ILE CB . 27314 1 969 . 1 1 278 278 ILE N N 15 117.8470 0.0000 . 1 . . 51269 . . 278 ILE N . 27314 1 970 . 1 1 279 279 ALA H H 1 7.5310 0.0000 . 1 . . 49591 . . 279 ALA H . 27314 1 971 . 1 1 279 279 ALA C C 13 172.2391 0.0000 . 1 . . . . . 279 ALA C . 27314 1 972 . 1 1 279 279 ALA CA C 13 50.4984 0.0000 . 1 . . . . . 279 ALA CA . 27314 1 973 . 1 1 279 279 ALA CB C 13 20.0440 0.0000 . 1 . . . . . 279 ALA CB . 27314 1 974 . 1 1 279 279 ALA N N 15 119.8059 0.0000 . 1 . . 49592 . . 279 ALA N . 27314 1 975 . 1 1 280 280 PRO C C 13 175.1697 0.0000 . 1 . . . . . 280 PRO C . 27314 1 976 . 1 1 280 280 PRO CA C 13 62.1685 0.0000 . 1 . . . . . 280 PRO CA . 27314 1 977 . 1 1 280 280 PRO CB C 13 30.9799 0.0000 . 1 . . . . . 280 PRO CB . 27314 1 978 . 1 1 281 281 VAL H H 1 7.8561 0.0000 . 1 . . 50098 . . 281 VAL H . 27314 1 979 . 1 1 281 281 VAL C C 13 174.2329 0.0000 . 1 . . . . . 281 VAL C . 27314 1 980 . 1 1 281 281 VAL CA C 13 61.0755 0.0000 . 1 . . . . . 281 VAL CA . 27314 1 981 . 1 1 281 281 VAL CB C 13 35.4793 0.0000 . 1 . . . . . 281 VAL CB . 27314 1 982 . 1 1 281 281 VAL N N 15 116.5828 0.0000 . 1 . . 50099 . . 281 VAL N . 27314 1 983 . 1 1 282 282 TRP H H 1 9.4816 0.0000 . 1 . . 48883 . . 282 TRP H . 27314 1 984 . 1 1 282 282 TRP C C 13 175.1572 0.0000 . 1 . . . . . 282 TRP C . 27314 1 985 . 1 1 282 282 TRP CA C 13 52.1745 0.0000 . 1 . . . . . 282 TRP CA . 27314 1 986 . 1 1 282 282 TRP CB C 13 31.9108 0.0000 . 1 . . . . . 282 TRP CB . 27314 1 987 . 1 1 282 282 TRP N N 15 127.4009 0.0000 . 1 . . 48884 . . 282 TRP N . 27314 1 988 . 1 1 283 283 LEU H H 1 9.4247 0.0000 . 1 . . 50344 . . 283 LEU H . 27314 1 989 . 1 1 283 283 LEU C C 13 173.7038 0.0000 . 1 . . . . . 283 LEU C . 27314 1 990 . 1 1 283 283 LEU CA C 13 53.2928 0.0000 . 1 . . . . . 283 LEU CA . 27314 1 991 . 1 1 283 283 LEU CB C 13 39.9186 0.0000 . 1 . . . . . 283 LEU CB . 27314 1 992 . 1 1 283 283 LEU N N 15 136.3764 0.0000 . 1 . . 50345 . . 283 LEU N . 27314 1 993 . 1 1 284 284 GLY H H 1 7.4425 0.0000 . 1 . . 51748 . . 284 GLY H . 27314 1 994 . 1 1 284 284 GLY C C 13 173.3463 0.0000 . 1 . . . . . 284 GLY C . 27314 1 995 . 1 1 284 284 GLY CA C 13 44.3095 0.0000 . 1 . . . . . 284 GLY CA . 27314 1 996 . 1 1 284 284 GLY N N 15 113.4312 0.0000 . 1 . . 51749 . . 284 GLY N . 27314 1 997 . 1 1 285 285 GLU H H 1 6.5060 0.0000 . 1 . . 49132 . . 285 GLU H . 27314 1 998 . 1 1 285 285 GLU C C 13 173.7306 0.0000 . 1 . . . . . 285 GLU C . 27314 1 999 . 1 1 285 285 GLU CA C 13 57.9202 0.0000 . 1 . . . . . 285 GLU CA . 27314 1 1000 . 1 1 285 285 GLU CB C 13 34.7283 0.0000 . 1 . . . . . 285 GLU CB . 27314 1 1001 . 1 1 285 285 GLU N N 15 112.7444 0.0000 . 1 . . 49133 . . 285 GLU N . 27314 1 1002 . 1 1 286 286 PHE H H 1 6.2983 0.0000 . 1 . . 49129 . . 286 PHE H . 27314 1 1003 . 1 1 286 286 PHE C C 13 173.0675 0.0000 . 1 . . . . . 286 PHE C . 27314 1 1004 . 1 1 286 286 PHE CA C 13 56.6867 0.0000 . 1 . . . . . 286 PHE CA . 27314 1 1005 . 1 1 286 286 PHE CB C 13 38.6311 0.0000 . 1 . . . . . 286 PHE CB . 27314 1 1006 . 1 1 286 286 PHE N N 15 114.2305 0.0000 . 1 . . 49130 . . 286 PHE N . 27314 1 1007 . 1 1 287 287 GLY H H 1 6.7095 0.0000 . 1 . . 51739 . . 287 GLY H . 27314 1 1008 . 1 1 287 287 GLY C C 13 170.8919 0.0000 . 1 . . . . . 287 GLY C . 27314 1 1009 . 1 1 287 287 GLY CA C 13 46.4575 0.0000 . 1 . . . . . 287 GLY CA . 27314 1 1010 . 1 1 287 287 GLY N N 15 106.0143 0.0000 . 1 . . 51740 . . 287 GLY N . 27314 1 1011 . 1 1 288 288 THR H H 1 8.3337 0.0000 . 1 . . 50380 . . 288 THR H . 27314 1 1012 . 1 1 288 288 THR C C 13 171.2905 0.0000 . 1 . . . . . 288 THR C . 27314 1 1013 . 1 1 288 288 THR CA C 13 61.0565 0.0000 . 1 . . . . . 288 THR CA . 27314 1 1014 . 1 1 288 288 THR CB C 13 65.8964 0.0000 . 1 . . . . . 288 THR CB . 27314 1 1015 . 1 1 288 288 THR N N 15 113.7783 0.0000 . 1 . . 50381 . . 288 THR N . 27314 1 1016 . 1 1 289 289 THR H H 1 7.0834 0.0000 . 1 . . 50023 . . 289 THR H . 27314 1 1017 . 1 1 289 289 THR C C 13 176.5781 0.0000 . 1 . . . . . 289 THR C . 27314 1 1018 . 1 1 289 289 THR CA C 13 62.6923 0.0000 . 1 . . . . . 289 THR CA . 27314 1 1019 . 1 1 289 289 THR CB C 13 69.8226 0.0000 . 1 . . . . . 289 THR CB . 27314 1 1020 . 1 1 289 289 THR N N 15 116.9835 0.0000 . 1 . . 50024 . . 289 THR N . 27314 1 1021 . 1 1 290 290 LEU H H 1 9.1887 0.0000 . 1 . . . . . 290 LEU H . 27314 1 1022 . 1 1 290 290 LEU C C 13 175.8436 0.0000 . 1 . . . . . 290 LEU C . 27314 1 1023 . 1 1 290 290 LEU CB C 13 42.9664 0.0000 . 1 . . . . . 290 LEU CB . 27314 1 1024 . 1 1 290 290 LEU N N 15 116.4908 0.0000 . 1 . . . . . 290 LEU N . 27314 1 1025 . 1 1 294 294 THR C C 13 175.4776 0.0000 . 1 . . . . . 294 THR C . 27314 1 1026 . 1 1 294 294 THR CA C 13 67.1621 0.0000 . 1 . . . . . 294 THR CA . 27314 1 1027 . 1 1 294 294 THR CB C 13 68.8269 0.0000 . 1 . . . . . 294 THR CB . 27314 1 1028 . 1 1 295 295 ASP H H 1 7.4720 0.0000 . 1 . . 49138 . . 295 ASP H . 27314 1 1029 . 1 1 295 295 ASP C C 13 178.9189 0.0000 . 1 . . . . . 295 ASP C . 27314 1 1030 . 1 1 295 295 ASP CA C 13 57.6109 0.0000 . 1 . . . . . 295 ASP CA . 27314 1 1031 . 1 1 295 295 ASP CB C 13 39.1279 0.0000 . 1 . . . . . 295 ASP CB . 27314 1 1032 . 1 1 295 295 ASP N N 15 123.7584 0.0000 . 1 . . 49139 . . 295 ASP N . 27314 1 1033 . 1 1 296 296 GLN H H 1 7.8895 0.0000 . 1 . . 49558 . . 296 GLN H . 27314 1 1034 . 1 1 296 296 GLN C C 13 178.0846 0.0000 . 1 . . . . . 296 GLN C . 27314 1 1035 . 1 1 296 296 GLN CA C 13 59.5883 0.0000 . 1 . . . . . 296 GLN CA . 27314 1 1036 . 1 1 296 296 GLN CB C 13 27.9816 0.0000 . 1 . . . . . 296 GLN CB . 27314 1 1037 . 1 1 296 296 GLN N N 15 120.3060 0.0000 . 1 . . 49559 . . 296 GLN N . 27314 1 1038 . 1 1 297 297 THR H H 1 8.5793 0.0000 . 1 . . 49933 . . 297 THR H . 27314 1 1039 . 1 1 297 297 THR C C 13 177.9573 0.0000 . 1 . . . . . 297 THR C . 27314 1 1040 . 1 1 297 297 THR CA C 13 67.0376 0.0000 . 1 . . . . . 297 THR CA . 27314 1 1041 . 1 1 297 297 THR CB C 13 68.6591 0.0000 . 1 . . . . . 297 THR CB . 27314 1 1042 . 1 1 297 297 THR N N 15 116.6435 0.0000 . 1 . . 49934 . . 297 THR N . 27314 1 1043 . 1 1 298 298 TRP H H 1 9.5797 0.0000 . 1 . . 50809 . . 298 TRP H . 27314 1 1044 . 1 1 298 298 TRP C C 13 175.6897 0.0000 . 1 . . . . . 298 TRP C . 27314 1 1045 . 1 1 298 298 TRP CA C 13 63.2836 0.0000 . 1 . . . . . 298 TRP CA . 27314 1 1046 . 1 1 298 298 TRP CB C 13 29.2808 0.0000 . 1 . . . . . 298 TRP CB . 27314 1 1047 . 1 1 298 298 TRP N N 15 126.4874 0.0000 . 1 . . 50810 . . 298 TRP N . 27314 1 1048 . 1 1 299 299 LEU H H 1 8.7353 0.0000 . 1 . . . . . 299 LEU H . 27314 1 1049 . 1 1 299 299 LEU C C 13 178.1647 0.0000 . 1 . . . . . 299 LEU C . 27314 1 1050 . 1 1 299 299 LEU CA C 13 57.9465 0.0000 . 1 . . . . . 299 LEU CA . 27314 1 1051 . 1 1 299 299 LEU CB C 13 40.2896 0.0000 . 1 . . . . . 299 LEU CB . 27314 1 1052 . 1 1 299 299 LEU N N 15 119.5504 0.0000 . 1 . . . . . 299 LEU N . 27314 1 1053 . 1 1 300 300 LYS H H 1 8.0950 0.0000 . 1 . . 50101 . . 300 LYS H . 27314 1 1054 . 1 1 300 300 LYS C C 13 179.6988 0.0000 . 1 . . . . . 300 LYS C . 27314 1 1055 . 1 1 300 300 LYS CA C 13 60.1145 0.0000 . 1 . . . . . 300 LYS CA . 27314 1 1056 . 1 1 300 300 LYS CB C 13 33.0218 0.0000 . 1 . . . . . 300 LYS CB . 27314 1 1057 . 1 1 300 300 LYS N N 15 116.5733 0.0000 . 1 . . 50102 . . 300 LYS N . 27314 1 1058 . 1 1 301 301 THR H H 1 7.9815 0.0000 . 1 . . 51304 . . 301 THR H . 27314 1 1059 . 1 1 301 301 THR C C 13 176.0245 0.0000 . 1 . . . . . 301 THR C . 27314 1 1060 . 1 1 301 301 THR CA C 13 67.0963 0.0000 . 1 . . . . . 301 THR CA . 27314 1 1061 . 1 1 301 301 THR CB C 13 69.0548 0.0000 . 1 . . . . . 301 THR CB . 27314 1 1062 . 1 1 301 301 THR N N 15 116.3862 0.0000 . 1 . . 51305 . . 301 THR N . 27314 1 1063 . 1 1 302 302 LEU H H 1 8.8760 0.0000 . 1 . . 51310 . . 302 LEU H . 27314 1 1064 . 1 1 302 302 LEU C C 13 177.4640 0.0000 . 1 . . . . . 302 LEU C . 27314 1 1065 . 1 1 302 302 LEU CA C 13 57.3396 0.0000 . 1 . . . . . 302 LEU CA . 27314 1 1066 . 1 1 302 302 LEU CB C 13 40.7682 0.0000 . 1 . . . . . 302 LEU CB . 27314 1 1067 . 1 1 302 302 LEU N N 15 127.1133 0.0000 . 1 . . 51311 . . 302 LEU N . 27314 1 1068 . 1 1 303 303 VAL H H 1 8.2236 0.0000 . 1 . . 51316 . . 303 VAL H . 27314 1 1069 . 1 1 303 303 VAL C C 13 176.4500 0.0000 . 1 . . . . . 303 VAL C . 27314 1 1070 . 1 1 303 303 VAL CA C 13 67.9345 0.0000 . 1 . . . . . 303 VAL CA . 27314 1 1071 . 1 1 303 303 VAL CB C 13 31.2087 0.0000 . 1 . . . . . 303 VAL CB . 27314 1 1072 . 1 1 303 303 VAL N N 15 118.0288 0.0000 . 1 . . 51317 . . 303 VAL N . 27314 1 1073 . 1 1 304 304 GLN H H 1 6.7455 0.0000 . 1 . . 50446 . . 304 GLN H . 27314 1 1074 . 1 1 304 304 GLN C C 13 179.6350 0.0000 . 1 . . . . . 304 GLN C . 27314 1 1075 . 1 1 304 304 GLN CA C 13 58.7721 0.0000 . 1 . . . . . 304 GLN CA . 27314 1 1076 . 1 1 304 304 GLN CB C 13 28.2177 0.0000 . 1 . . . . . 304 GLN CB . 27314 1 1077 . 1 1 304 304 GLN N N 15 112.7247 0.0000 . 1 . . 50447 . . 304 GLN N . 27314 1 1078 . 1 1 305 305 TYR H H 1 8.0036 0.0000 . 1 . . 51325 . . 305 TYR H . 27314 1 1079 . 1 1 305 305 TYR C C 13 175.9088 0.0000 . 1 . . . . . 305 TYR C . 27314 1 1080 . 1 1 305 305 TYR CA C 13 61.5695 0.0000 . 1 . . . . . 305 TYR CA . 27314 1 1081 . 1 1 305 305 TYR CB C 13 39.3059 0.0000 . 1 . . . . . 305 TYR CB . 27314 1 1082 . 1 1 305 305 TYR N N 15 123.8012 0.0000 . 1 . . 51326 . . 305 TYR N . 27314 1 1083 . 1 1 306 306 LEU H H 1 8.1203 0.0000 . 1 . . 51037 . . 306 LEU H . 27314 1 1084 . 1 1 306 306 LEU C C 13 177.8581 0.0000 . 1 . . . . . 306 LEU C . 27314 1 1085 . 1 1 306 306 LEU CA C 13 56.9615 0.0000 . 1 . . . . . 306 LEU CA . 27314 1 1086 . 1 1 306 306 LEU CB C 13 41.7966 0.0000 . 1 . . . . . 306 LEU CB . 27314 1 1087 . 1 1 306 306 LEU N N 15 115.9619 0.0000 . 1 . . 51038 . . 306 LEU N . 27314 1 1088 . 1 1 307 307 ARG H H 1 7.2237 0.0000 . 1 . . . . . 307 ARG H . 27314 1 1089 . 1 1 307 307 ARG C C 13 173.1488 0.0000 . 1 . . . . . 307 ARG C . 27314 1 1090 . 1 1 307 307 ARG CA C 13 57.3604 0.0000 . 1 . . . . . 307 ARG CA . 27314 1 1091 . 1 1 307 307 ARG CB C 13 26.4259 0.0000 . 1 . . . . . 307 ARG CB . 27314 1 1092 . 1 1 307 307 ARG N N 15 106.3803 0.0000 . 1 . . . . . 307 ARG N . 27314 1 1093 . 1 1 308 308 PRO C C 13 176.6089 0.0000 . 1 . . . . . 308 PRO C . 27314 1 1094 . 1 1 308 308 PRO CA C 13 63.9042 0.0000 . 1 . . . . . 308 PRO CA . 27314 1 1095 . 1 1 308 308 PRO CB C 13 33.5125 0.0000 . 1 . . . . . 308 PRO CB . 27314 1 1096 . 1 1 309 309 THR H H 1 8.8680 0.0000 . 1 . . . . . 309 THR H . 27314 1 1097 . 1 1 309 309 THR C C 13 176.6835 0.0000 . 1 . . . . . 309 THR C . 27314 1 1098 . 1 1 309 309 THR CA C 13 65.2566 0.0000 . 1 . . . . . 309 THR CA . 27314 1 1099 . 1 1 309 309 THR CB C 13 69.4318 0.0000 . 1 . . . . . 309 THR CB . 27314 1 1100 . 1 1 309 309 THR N N 15 123.1316 0.0000 . 1 . . . . . 309 THR N . 27314 1 1101 . 1 1 310 310 ALA C C 13 177.9195 0.0000 . 1 . . . . . 310 ALA C . 27314 1 1102 . 1 1 310 310 ALA CA C 13 55.4188 0.0000 . 1 . . . . . 310 ALA CA . 27314 1 1103 . 1 1 310 310 ALA CB C 13 17.8902 0.0000 . 1 . . . . . 310 ALA CB . 27314 1 1104 . 1 1 311 311 GLN H H 1 6.6489 0.0000 . 1 . . 50509 . . 311 GLN H . 27314 1 1105 . 1 1 311 311 GLN C C 13 176.6389 0.0000 . 1 . . . . . 311 GLN C . 27314 1 1106 . 1 1 311 311 GLN CA C 13 57.2728 0.0000 . 1 . . . . . 311 GLN CA . 27314 1 1107 . 1 1 311 311 GLN CB C 13 30.9322 0.0000 . 1 . . . . . 311 GLN CB . 27314 1 1108 . 1 1 311 311 GLN N N 15 111.9492 0.0000 . 1 . . 50510 . . 311 GLN N . 27314 1 1109 . 1 1 312 312 TYR H H 1 7.7787 0.0000 . 1 . . 50215 . . 312 TYR H . 27314 1 1110 . 1 1 312 312 TYR C C 13 176.2349 0.0000 . 1 . . . . . 312 TYR C . 27314 1 1111 . 1 1 312 312 TYR CA C 13 58.6595 0.0000 . 1 . . . . . 312 TYR CA . 27314 1 1112 . 1 1 312 312 TYR CB C 13 40.0507 0.0000 . 1 . . . . . 312 TYR CB . 27314 1 1113 . 1 1 312 312 TYR N N 15 114.9368 0.0000 . 1 . . 50216 . . 312 TYR N . 27314 1 1114 . 1 1 313 313 GLY H H 1 8.9054 0.0000 . 1 . . . . . 313 GLY H . 27314 1 1115 . 1 1 313 313 GLY C C 13 173.5907 0.0000 . 1 . . . . . 313 GLY C . 27314 1 1116 . 1 1 313 313 GLY CA C 13 47.0962 0.0000 . 1 . . . . . 313 GLY CA . 27314 1 1117 . 1 1 313 313 GLY N N 15 112.9048 0.0000 . 1 . . . . . 313 GLY N . 27314 1 1118 . 1 1 314 314 ALA C C 13 176.5558 0.0000 . 1 . . . . . 314 ALA C . 27314 1 1119 . 1 1 314 314 ALA CA C 13 51.8126 0.0000 . 1 . . . . . 314 ALA CA . 27314 1 1120 . 1 1 314 314 ALA CB C 13 18.5237 0.0000 . 1 . . . . . 314 ALA CB . 27314 1 1121 . 1 1 315 315 ASP H H 1 8.0093 0.0000 . 1 . . 49255 . . 315 ASP H . 27314 1 1122 . 1 1 315 315 ASP C C 13 176.8142 0.0000 . 1 . . . . . 315 ASP C . 27314 1 1123 . 1 1 315 315 ASP CA C 13 52.7690 0.0000 . 1 . . . . . 315 ASP CA . 27314 1 1124 . 1 1 315 315 ASP CB C 13 38.1759 0.0000 . 1 . . . . . 315 ASP CB . 27314 1 1125 . 1 1 315 315 ASP N N 15 122.2848 0.0000 . 1 . . 49256 . . 315 ASP N . 27314 1 1126 . 1 1 316 316 SER H H 1 8.3614 0.0000 . 1 . . 51337 . . 316 SER H . 27314 1 1127 . 1 1 316 316 SER C C 13 171.7281 0.0000 . 1 . . . . . 316 SER C . 27314 1 1128 . 1 1 316 316 SER CA C 13 57.4246 0.0000 . 1 . . . . . 316 SER CA . 27314 1 1129 . 1 1 316 316 SER CB C 13 63.8952 0.0000 . 1 . . . . . 316 SER CB . 27314 1 1130 . 1 1 316 316 SER N N 15 112.4922 0.0000 . 1 . . 51338 . . 316 SER N . 27314 1 1131 . 1 1 317 317 PHE H H 1 7.1175 0.0000 . 1 . . 52081 . . 317 PHE H . 27314 1 1132 . 1 1 317 317 PHE C C 13 177.7987 0.0000 . 1 . . . . . 317 PHE C . 27314 1 1133 . 1 1 317 317 PHE CA C 13 60.4532 0.0000 . 1 . . . . . 317 PHE CA . 27314 1 1134 . 1 1 317 317 PHE CB C 13 40.3787 0.0000 . 1 . . . . . 317 PHE CB . 27314 1 1135 . 1 1 317 317 PHE N N 15 113.9845 0.0000 . 1 . . 52082 . . 317 PHE N . 27314 1 1136 . 1 1 318 318 GLN H H 1 8.9547 0.0000 . 1 . . 49489 . . 318 GLN H . 27314 1 1137 . 1 1 318 318 GLN C C 13 177.4538 0.0000 . 1 . . . . . 318 GLN C . 27314 1 1138 . 1 1 318 318 GLN CA C 13 52.8332 0.0000 . 1 . . . . . 318 GLN CA . 27314 1 1139 . 1 1 318 318 GLN CB C 13 27.3537 0.0000 . 1 . . . . . 318 GLN CB . 27314 1 1140 . 1 1 318 318 GLN N N 15 120.9202 0.0000 . 1 . . 49490 . . 318 GLN N . 27314 1 1141 . 1 1 319 319 TRP H H 1 9.4658 0.0000 . 1 . . 51343 . . 319 TRP H . 27314 1 1142 . 1 1 319 319 TRP C C 13 174.7513 0.0000 . 1 . . . . . 319 TRP C . 27314 1 1143 . 1 1 319 319 TRP CA C 13 56.9573 0.0000 . 1 . . . . . 319 TRP CA . 27314 1 1144 . 1 1 319 319 TRP CB C 13 31.1769 0.0000 . 1 . . . . . 319 TRP CB . 27314 1 1145 . 1 1 319 319 TRP N N 15 121.1672 0.0000 . 1 . . 51344 . . 319 TRP N . 27314 1 1146 . 1 1 320 320 THR H H 1 9.0573 0.0000 . 1 . . 51349 . . 320 THR H . 27314 1 1147 . 1 1 320 320 THR C C 13 172.9782 0.0000 . 1 . . . . . 320 THR C . 27314 1 1148 . 1 1 320 320 THR CA C 13 59.9547 0.0000 . 1 . . . . . 320 THR CA . 27314 1 1149 . 1 1 320 320 THR CB C 13 71.7573 0.0000 . 1 . . . . . 320 THR CB . 27314 1 1150 . 1 1 320 320 THR N N 15 109.7721 0.0000 . 1 . . 51350 . . 320 THR N . 27314 1 1151 . 1 1 321 321 PHE H H 1 8.6294 0.0000 . 1 . . 51355 . . 321 PHE H . 27314 1 1152 . 1 1 321 321 PHE C C 13 175.7411 0.0000 . 1 . . . . . 321 PHE C . 27314 1 1153 . 1 1 321 321 PHE CA C 13 58.4709 0.0000 . 1 . . . . . 321 PHE CA . 27314 1 1154 . 1 1 321 321 PHE CB C 13 41.8064 0.0000 . 1 . . . . . 321 PHE CB . 27314 1 1155 . 1 1 321 321 PHE N N 15 124.0915 0.0000 . 1 . . 51356 . . 321 PHE N . 27314 1 1156 . 1 1 322 322 TRP H H 1 8.6697 0.0000 . 1 . . 51361 . . 322 TRP H . 27314 1 1157 . 1 1 322 322 TRP C C 13 172.6843 0.0000 . 1 . . . . . 322 TRP C . 27314 1 1158 . 1 1 322 322 TRP CA C 13 52.2502 0.0000 . 1 . . . . . 322 TRP CA . 27314 1 1159 . 1 1 322 322 TRP CB C 13 31.0138 0.0000 . 1 . . . . . 322 TRP CB . 27314 1 1160 . 1 1 322 322 TRP N N 15 132.4621 0.0000 . 1 . . 51362 . . 322 TRP N . 27314 1 1161 . 1 1 323 323 SER H H 1 6.5341 0.0000 . 1 . . 51373 . . 323 SER H . 27314 1 1162 . 1 1 323 323 SER C C 13 172.3526 0.0000 . 1 . . . . . 323 SER C . 27314 1 1163 . 1 1 323 323 SER CA C 13 59.6767 0.0000 . 1 . . . . . 323 SER CA . 27314 1 1164 . 1 1 323 323 SER CB C 13 67.7811 0.0000 . 1 . . . . . 323 SER CB . 27314 1 1165 . 1 1 323 323 SER N N 15 114.3562 0.0000 . 1 . . 51374 . . 323 SER N . 27314 1 1166 . 1 1 324 324 TRP H H 1 9.0922 0.0000 . 1 . . 49456 . . 324 TRP H . 27314 1 1167 . 1 1 324 324 TRP C C 13 173.6339 0.0000 . 1 . . . . . 324 TRP C . 27314 1 1168 . 1 1 324 324 TRP CA C 13 59.9010 0.0000 . 1 . . . . . 324 TRP CA . 27314 1 1169 . 1 1 324 324 TRP CB C 13 31.6579 0.0000 . 1 . . . . . 324 TRP CB . 27314 1 1170 . 1 1 324 324 TRP N N 15 121.0013 0.0000 . 1 . . 49457 . . 324 TRP N . 27314 1 1171 . 1 1 333 333 GLY C C 13 174.4715 0.0000 . 1 . . . . . 333 GLY C . 27314 1 1172 . 1 1 333 333 GLY CA C 13 45.9285 0.0000 . 1 . . . . . 333 GLY CA . 27314 1 1173 . 1 1 334 334 ILE H H 1 7.7031 0.0000 . 1 . . 49579 . . 334 ILE H . 27314 1 1174 . 1 1 334 334 ILE C C 13 176.0341 0.0000 . 1 . . . . . 334 ILE C . 27314 1 1175 . 1 1 334 334 ILE CA C 13 59.8556 0.0000 . 1 . . . . . 334 ILE CA . 27314 1 1176 . 1 1 334 334 ILE CB C 13 37.0816 0.0000 . 1 . . . . . 334 ILE CB . 27314 1 1177 . 1 1 334 334 ILE N N 15 119.8848 0.0000 . 1 . . 49580 . . 334 ILE N . 27314 1 1178 . 1 1 335 335 LEU H H 1 6.6326 0.0000 . 1 . . 50086 . . 335 LEU H . 27314 1 1179 . 1 1 335 335 LEU C C 13 177.6732 0.0000 . 1 . . . . . 335 LEU C . 27314 1 1180 . 1 1 335 335 LEU CA C 13 53.9267 0.0000 . 1 . . . . . 335 LEU CA . 27314 1 1181 . 1 1 335 335 LEU CB C 13 43.1465 0.0000 . 1 . . . . . 335 LEU CB . 27314 1 1182 . 1 1 335 335 LEU N N 15 116.9994 0.0000 . 1 . . 50087 . . 335 LEU N . 27314 1 1183 . 1 1 336 336 LYS H H 1 8.0468 0.0000 . 1 . . 49954 . . 336 LYS H . 27314 1 1184 . 1 1 336 336 LYS C C 13 176.9363 0.0000 . 1 . . . . . 336 LYS C . 27314 1 1185 . 1 1 336 336 LYS CA C 13 55.3138 0.0000 . 1 . . . . . 336 LYS CA . 27314 1 1186 . 1 1 336 336 LYS CB C 13 32.2348 0.0000 . 1 . . . . . 336 LYS CB . 27314 1 1187 . 1 1 336 336 LYS N N 15 116.3843 0.0000 . 1 . . 49955 . . 336 LYS N . 27314 1 1188 . 1 1 337 337 ASP H H 1 7.8392 0.0000 . 1 . . 51382 . . 337 ASP H . 27314 1 1189 . 1 1 337 337 ASP C C 13 175.1039 0.0000 . 1 . . . . . 337 ASP C . 27314 1 1190 . 1 1 337 337 ASP CA C 13 56.7260 0.0000 . 1 . . . . . 337 ASP CA . 27314 1 1191 . 1 1 337 337 ASP CB C 13 40.5209 0.0000 . 1 . . . . . 337 ASP CB . 27314 1 1192 . 1 1 337 337 ASP N N 15 115.4493 0.0000 . 1 . . 51383 . . 337 ASP N . 27314 1 1193 . 1 1 338 338 ASP H H 1 7.1160 0.0000 . 1 . . 51388 . . 338 ASP H . 27314 1 1194 . 1 1 338 338 ASP C C 13 176.5996 0.0000 . 1 . . . . . 338 ASP C . 27314 1 1195 . 1 1 338 338 ASP CA C 13 53.6785 0.0000 . 1 . . . . . 338 ASP CA . 27314 1 1196 . 1 1 338 338 ASP CB C 13 39.7837 0.0000 . 1 . . . . . 338 ASP CB . 27314 1 1197 . 1 1 338 338 ASP N N 15 116.1785 0.0000 . 1 . . 51389 . . 338 ASP N . 27314 1 1198 . 1 1 339 339 TRP H H 1 8.6368 0.0000 . 1 . . 52024 . . 339 TRP H . 27314 1 1199 . 1 1 339 339 TRP C C 13 173.2820 0.0000 . 1 . . . . . 339 TRP C . 27314 1 1200 . 1 1 339 339 TRP CA C 13 61.0065 0.0000 . 1 . . . . . 339 TRP CA . 27314 1 1201 . 1 1 339 339 TRP CB C 13 24.5639 0.0000 . 1 . . . . . 339 TRP CB . 27314 1 1202 . 1 1 339 339 TRP N N 15 113.5834 0.0000 . 1 . . 52025 . . 339 TRP N . 27314 1 1203 . 1 1 340 340 GLN H H 1 8.2536 0.0000 . 1 . . 50209 . . 340 GLN H . 27314 1 1204 . 1 1 340 340 GLN C C 13 174.8031 0.0000 . 1 . . . . . 340 GLN C . 27314 1 1205 . 1 1 340 340 GLN CA C 13 58.4936 0.0000 . 1 . . . . . 340 GLN CA . 27314 1 1206 . 1 1 340 340 GLN CB C 13 33.1218 0.0000 . 1 . . . . . 340 GLN CB . 27314 1 1207 . 1 1 340 340 GLN N N 15 114.6723 0.0000 . 1 . . 50210 . . 340 GLN N . 27314 1 1208 . 1 1 341 341 THR H H 1 9.9368 0.0000 . 1 . . 51097 . . 341 THR H . 27314 1 1209 . 1 1 341 341 THR C C 13 172.9026 0.0000 . 1 . . . . . 341 THR C . 27314 1 1210 . 1 1 341 341 THR CA C 13 63.7689 0.0000 . 1 . . . . . 341 THR CA . 27314 1 1211 . 1 1 341 341 THR CB C 13 68.2105 0.0000 . 1 . . . . . 341 THR CB . 27314 1 1212 . 1 1 341 341 THR N N 15 121.9491 0.0000 . 1 . . 51098 . . 341 THR N . 27314 1 1213 . 1 1 342 342 VAL H H 1 8.1822 0.0000 . 1 . . 48955 . . 342 VAL H . 27314 1 1214 . 1 1 342 342 VAL C C 13 176.1826 0.0000 . 1 . . . . . 342 VAL C . 27314 1 1215 . 1 1 342 342 VAL CA C 13 62.1266 0.0000 . 1 . . . . . 342 VAL CA . 27314 1 1216 . 1 1 342 342 VAL CB C 13 33.5927 0.0000 . 1 . . . . . 342 VAL CB . 27314 1 1217 . 1 1 342 342 VAL N N 15 125.6550 0.0000 . 1 . . 48956 . . 342 VAL N . 27314 1 1218 . 1 1 343 343 ASP H H 1 9.3512 0.0000 . 1 . . 48994 . . 343 ASP H . 27314 1 1219 . 1 1 343 343 ASP C C 13 175.1039 0.0000 . 1 . . . . . 343 ASP C . 27314 1 1220 . 1 1 343 343 ASP CA C 13 52.8074 0.0000 . 1 . . . . . 343 ASP CA . 27314 1 1221 . 1 1 343 343 ASP CB C 13 39.1701 0.0000 . 1 . . . . . 343 ASP CB . 27314 1 1222 . 1 1 343 343 ASP N N 15 125.3357 0.0000 . 1 . . 48995 . . 343 ASP N . 27314 1 1223 . 1 1 344 344 THR H H 1 7.6753 0.0000 . 1 . . 51403 . . 344 THR H . 27314 1 1224 . 1 1 344 344 THR C C 13 177.7265 0.0000 . 1 . . . . . 344 THR C . 27314 1 1225 . 1 1 344 344 THR CA C 13 64.4875 0.0000 . 1 . . . . . 344 THR CA . 27314 1 1226 . 1 1 344 344 THR CB C 13 68.3036 0.0000 . 1 . . . . . 344 THR CB . 27314 1 1227 . 1 1 344 344 THR N N 15 118.1209 0.0000 . 1 . . 51404 . . 344 THR N . 27314 1 1228 . 1 1 345 345 VAL H H 1 7.8221 0.0000 . 1 . . 51784 . . 345 VAL H . 27314 1 1229 . 1 1 345 345 VAL C C 13 178.2486 0.0000 . 1 . . . . . 345 VAL C . 27314 1 1230 . 1 1 345 345 VAL CA C 13 66.0445 0.0000 . 1 . . . . . 345 VAL CA . 27314 1 1231 . 1 1 345 345 VAL CB C 13 31.2981 0.0000 . 1 . . . . . 345 VAL CB . 27314 1 1232 . 1 1 345 345 VAL N N 15 124.7913 0.0000 . 1 . . 51785 . . 345 VAL N . 27314 1 1233 . 1 1 346 346 LYS H H 1 7.7132 0.0000 . 1 . . 51691 . . 346 LYS H . 27314 1 1234 . 1 1 346 346 LYS C C 13 177.7742 0.0000 . 1 . . . . . 346 LYS C . 27314 1 1235 . 1 1 346 346 LYS CA C 13 60.4675 0.0000 . 1 . . . . . 346 LYS CA . 27314 1 1236 . 1 1 346 346 LYS CB C 13 32.7260 0.0000 . 1 . . . . . 346 LYS CB . 27314 1 1237 . 1 1 346 346 LYS N N 15 121.7594 0.0000 . 1 . . 51692 . . 346 LYS N . 27314 1 1238 . 1 1 347 347 ASP H H 1 8.0956 0.0000 . 1 . . 50263 . . 347 ASP H . 27314 1 1239 . 1 1 347 347 ASP C C 13 178.7244 0.0000 . 1 . . . . . 347 ASP C . 27314 1 1240 . 1 1 347 347 ASP CA C 13 58.1031 0.0000 . 1 . . . . . 347 ASP CA . 27314 1 1241 . 1 1 347 347 ASP CB C 13 43.5928 0.0000 . 1 . . . . . 347 ASP CB . 27314 1 1242 . 1 1 347 347 ASP N N 15 114.5536 0.0000 . 1 . . 50264 . . 347 ASP N . 27314 1 1243 . 1 1 348 348 GLY H H 1 7.8083 0.0000 . 1 . . . . . 348 GLY H . 27314 1 1244 . 1 1 348 348 GLY C C 13 177.3359 0.0000 . 1 . . . . . 348 GLY C . 27314 1 1245 . 1 1 348 348 GLY CA C 13 47.0774 0.0000 . 1 . . . . . 348 GLY CA . 27314 1 1246 . 1 1 348 348 GLY N N 15 104.8538 0.0000 . 1 . . . . . 348 GLY N . 27314 1 1247 . 1 1 349 349 TYR H H 1 7.8419 0.0000 . 1 . . 49540 . . 349 TYR H . 27314 1 1248 . 1 1 349 349 TYR C C 13 176.9863 0.0000 . 1 . . . . . 349 TYR C . 27314 1 1249 . 1 1 349 349 TYR CA C 13 61.3730 0.0000 . 1 . . . . . 349 TYR CA . 27314 1 1250 . 1 1 349 349 TYR CB C 13 38.8023 0.0000 . 1 . . . . . 349 TYR CB . 27314 1 1251 . 1 1 349 349 TYR N N 15 120.6702 0.0000 . 1 . . 49541 . . 349 TYR N . 27314 1 1252 . 1 1 350 350 LEU H H 1 7.0115 0.0000 . 1 . . 49288 . . 350 LEU H . 27314 1 1253 . 1 1 350 350 LEU C C 13 176.7128 0.0000 . 1 . . . . . 350 LEU C . 27314 1 1254 . 1 1 350 350 LEU CA C 13 54.0646 0.0000 . 1 . . . . . 350 LEU CA . 27314 1 1255 . 1 1 350 350 LEU CB C 13 41.1155 0.0000 . 1 . . . . . 350 LEU CB . 27314 1 1256 . 1 1 350 350 LEU N N 15 112.9948 0.0000 . 1 . . 49289 . . 350 LEU N . 27314 1 1257 . 1 1 351 351 ALA H H 1 6.9744 0.0000 . 1 . . . . . 351 ALA H . 27314 1 1258 . 1 1 351 351 ALA C C 13 176.6727 0.0000 . 1 . . . . . 351 ALA C . 27314 1 1259 . 1 1 351 351 ALA CA C 13 57.0630 0.0000 . 1 . . . . . 351 ALA CA . 27314 1 1260 . 1 1 351 351 ALA CB C 13 16.5723 0.0000 . 1 . . . . . 351 ALA CB . 27314 1 1261 . 1 1 351 351 ALA N N 15 121.3198 0.0000 . 1 . . . . . 351 ALA N . 27314 1 1262 . 1 1 352 352 PRO C C 13 178.4759 0.0000 . 1 . . . . . 352 PRO C . 27314 1 1263 . 1 1 352 352 PRO CA C 13 65.4180 0.0000 . 1 . . . . . 352 PRO CA . 27314 1 1264 . 1 1 352 352 PRO CB C 13 32.7698 0.0000 . 1 . . . . . 352 PRO CB . 27314 1 1265 . 1 1 353 353 ILE H H 1 7.5877 0.0000 . 1 . . 50647 . . 353 ILE H . 27314 1 1266 . 1 1 353 353 ILE C C 13 175.8938 0.0000 . 1 . . . . . 353 ILE C . 27314 1 1267 . 1 1 353 353 ILE CA C 13 61.1845 0.0000 . 1 . . . . . 353 ILE CA . 27314 1 1268 . 1 1 353 353 ILE CB C 13 37.9646 0.0000 . 1 . . . . . 353 ILE CB . 27314 1 1269 . 1 1 353 353 ILE N N 15 106.4252 0.0000 . 1 . . 50648 . . 353 ILE N . 27314 1 1270 . 1 1 354 354 LYS H H 1 7.2352 0.0000 . 1 . . 51667 . . 354 LYS H . 27314 1 1271 . 1 1 354 354 LYS C C 13 177.9142 0.0000 . 1 . . . . . 354 LYS C . 27314 1 1272 . 1 1 354 354 LYS CA C 13 58.8182 0.0000 . 1 . . . . . 354 LYS CA . 27314 1 1273 . 1 1 354 354 LYS CB C 13 34.3437 0.0000 . 1 . . . . . 354 LYS CB . 27314 1 1274 . 1 1 354 354 LYS N N 15 122.4491 0.0000 . 1 . . 51668 . . 354 LYS N . 27314 1 1275 . 1 1 355 355 SER H H 1 9.9496 0.0000 . 1 . . 49531 . . 355 SER H . 27314 1 1276 . 1 1 355 355 SER C C 13 173.0288 0.0000 . 1 . . . . . 355 SER C . 27314 1 1277 . 1 1 355 355 SER CA C 13 55.1479 0.0000 . 1 . . . . . 355 SER CA . 27314 1 1278 . 1 1 355 355 SER CB C 13 64.6907 0.0000 . 1 . . . . . 355 SER CB . 27314 1 1279 . 1 1 355 355 SER N N 15 120.6124 0.0000 . 1 . . 49532 . . 355 SER N . 27314 1 1280 . 1 1 356 356 SER C C 13 174.0328 0.0000 . 1 . . . . . 356 SER C . 27314 1 1281 . 1 1 356 356 SER CA C 13 57.3238 0.0000 . 1 . . . . . 356 SER CA . 27314 1 1282 . 1 1 356 356 SER CB C 13 64.8919 0.0000 . 1 . . . . . 356 SER CB . 27314 1 1283 . 1 1 357 357 ILE H H 1 7.6706 0.0000 . 1 . . 51826 . . 357 ILE H . 27314 1 1284 . 1 1 357 357 ILE C C 13 174.1696 0.0000 . 1 . . . . . 357 ILE C . 27314 1 1285 . 1 1 357 357 ILE CA C 13 59.6289 0.0000 . 1 . . . . . 357 ILE CA . 27314 1 1286 . 1 1 357 357 ILE CB C 13 36.9255 0.0000 . 1 . . . . . 357 ILE CB . 27314 1 1287 . 1 1 357 357 ILE N N 15 120.2795 0.0000 . 1 . . 51827 . . 357 ILE N . 27314 1 1288 . 1 1 358 358 PHE H H 1 7.6259 0.0000 . 1 . . 50080 . . 358 PHE H . 27314 1 1289 . 1 1 358 358 PHE C C 13 174.6978 0.0000 . 1 . . . . . 358 PHE C . 27314 1 1290 . 1 1 358 358 PHE CA C 13 57.2445 0.0000 . 1 . . . . . 358 PHE CA . 27314 1 1291 . 1 1 358 358 PHE CB C 13 39.7618 0.0000 . 1 . . . . . 358 PHE CB . 27314 1 1292 . 1 1 358 358 PHE N N 15 121.7841 0.0000 . 1 . . 50081 . . 358 PHE N . 27314 1 1293 . 1 1 359 359 ASP H H 1 7.9689 0.0000 . 1 . . 51112 . . 359 ASP H . 27314 1 1294 . 1 1 359 359 ASP C C 13 175.1925 0.0000 . 1 . . . . . 359 ASP C . 27314 1 1295 . 1 1 359 359 ASP CA C 13 53.2974 0.0000 . 1 . . . . . 359 ASP CA . 27314 1 1296 . 1 1 359 359 ASP CB C 13 41.3474 0.0000 . 1 . . . . . 359 ASP CB . 27314 1 1297 . 1 1 359 359 ASP N N 15 118.3719 0.0000 . 1 . . 51113 . . 359 ASP N . 27314 1 stop_ save_