data_16271 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16271 _Entry.Title ; A PH domain within OCRL bridges clathrin mediated membrane trafficking to phosphoinositide metabolis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-03 _Entry.Accession_date 2009-05-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yuxin Mao . . . 16271 2 Daniel Balkin . M. . 16271 3 Roberto Zoncu . . . 16271 4 Kai Erdmann . . . 16271 5 Livia Tomasini . . . 16271 6 Fenghua Hu . . . 16271 7 Moonsoon Jin . M. . 16271 8 Michael Hodsdon . E. . 16271 9 Pietro 'De Camilli' . . . 16271 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16271 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID clathrin . 16271 endocytosis . 16271 INPP5B . 16271 OCRL . 16271 PH . 16271 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16271 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 16271 '15N chemical shifts' 131 16271 '1H chemical shifts' 899 16271 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-05-28 2009-05-03 update BMRB 'edit entity/assembly name' 16271 2 . . 2009-07-13 2009-05-03 update BMRB 'complete entry citation' 16271 1 . . 2009-06-25 2009-05-03 original author 'original release' 16271 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KIE 'BMRB Entry Tracking System' 16271 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16271 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19536138 _Citation.Full_citation . _Citation.Title 'A PH domain within OCRL bridges clathrin-mediated membrane trafficking to phosphoinositide metabolism' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 13 _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 1831 _Citation.Page_last 1842 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuxin Mao . . . 16271 1 2 Daniel Balkin . M. . 16271 1 3 Roberto Zoncu . . . 16271 1 4 Kai Erdmann . S. . 16271 1 5 Livia Tomasini . . . 16271 1 6 Fenghua Hu . . . 16271 1 7 Moonsoon Jin . M. . 16271 1 8 Michael Hodsdon . E. . 16271 1 9 Pietro 'De Camilli' . . . 16271 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16271 _Assembly.ID 1 _Assembly.Name 'OCRL bridges clathrin-mediated membrane' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity A . yes native no no . . . 16271 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 87 87 SG . 1 . 1 CYS 109 109 SG . . . . . . . . . . 16271 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16271 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMEPPLPVGAQPLATV EGMEMKGPLREPCALTLAQR NGQYELIIQLHEKEQHVQDI IPINSHFRCVQEAEETLLID IASNSGCKIRVQGDWIRERR FEIPDEEHCLKFLSAVLAAQ KAQSGPLGSMEPPLPVGAQP LATVEGMEMKGPLREPCALT LAQRNGQYELIIQLHEKEQH VQDIIPINSHFRCVQEAEET LLIDIASNSGCKIRVQGDWI RERRFEIPDEEHCLKFLSAV LAAQKAQSGPLGSMEPPLPV GAQPLATVEGMEMKGPLREP CALTLAQRNGQYELIIQLHE KEQHVQDIIPINSHFRCVQE AEETLLIDIASNSGCKIRVQ GDWIRERRFEIPDEEHCLKF LSAVLAAQKAQS ; _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 372 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 41573.961 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16271 1 2 . PRO . 16271 1 3 . LEU . 16271 1 4 . GLY . 16271 1 5 . SER . 16271 1 6 . MET . 16271 1 7 . GLU . 16271 1 8 . PRO . 16271 1 9 . PRO . 16271 1 10 . LEU . 16271 1 11 . PRO . 16271 1 12 . VAL . 16271 1 13 . GLY . 16271 1 14 . ALA . 16271 1 15 . GLN . 16271 1 16 . PRO . 16271 1 17 . LEU . 16271 1 18 . ALA . 16271 1 19 . THR . 16271 1 20 . VAL . 16271 1 21 . GLU . 16271 1 22 . GLY . 16271 1 23 . MET . 16271 1 24 . GLU . 16271 1 25 . MET . 16271 1 26 . LYS . 16271 1 27 . GLY . 16271 1 28 . PRO . 16271 1 29 . LEU . 16271 1 30 . ARG . 16271 1 31 . GLU . 16271 1 32 . PRO . 16271 1 33 . CYS . 16271 1 34 . ALA . 16271 1 35 . LEU . 16271 1 36 . THR . 16271 1 37 . LEU . 16271 1 38 . ALA . 16271 1 39 . GLN . 16271 1 40 . ARG . 16271 1 41 . ASN . 16271 1 42 . GLY . 16271 1 43 . GLN . 16271 1 44 . TYR . 16271 1 45 . GLU . 16271 1 46 . LEU . 16271 1 47 . ILE . 16271 1 48 . ILE . 16271 1 49 . GLN . 16271 1 50 . LEU . 16271 1 51 . HIS . 16271 1 52 . GLU . 16271 1 53 . LYS . 16271 1 54 . GLU . 16271 1 55 . GLN . 16271 1 56 . HIS . 16271 1 57 . VAL . 16271 1 58 . GLN . 16271 1 59 . ASP . 16271 1 60 . ILE . 16271 1 61 . ILE . 16271 1 62 . PRO . 16271 1 63 . ILE . 16271 1 64 . ASN . 16271 1 65 . SER . 16271 1 66 . HIS . 16271 1 67 . PHE . 16271 1 68 . ARG . 16271 1 69 . CYS . 16271 1 70 . VAL . 16271 1 71 . GLN . 16271 1 72 . GLU . 16271 1 73 . ALA . 16271 1 74 . GLU . 16271 1 75 . GLU . 16271 1 76 . THR . 16271 1 77 . LEU . 16271 1 78 . LEU . 16271 1 79 . ILE . 16271 1 80 . ASP . 16271 1 81 . ILE . 16271 1 82 . ALA . 16271 1 83 . SER . 16271 1 84 . ASN . 16271 1 85 . SER . 16271 1 86 . GLY . 16271 1 87 . CYS . 16271 1 88 . LYS . 16271 1 89 . ILE . 16271 1 90 . ARG . 16271 1 91 . VAL . 16271 1 92 . GLN . 16271 1 93 . GLY . 16271 1 94 . ASP . 16271 1 95 . TRP . 16271 1 96 . ILE . 16271 1 97 . ARG . 16271 1 98 . GLU . 16271 1 99 . ARG . 16271 1 100 . ARG . 16271 1 101 . PHE . 16271 1 102 . GLU . 16271 1 103 . ILE . 16271 1 104 . PRO . 16271 1 105 . ASP . 16271 1 106 . GLU . 16271 1 107 . GLU . 16271 1 108 . HIS . 16271 1 109 . CYS . 16271 1 110 . LEU . 16271 1 111 . LYS . 16271 1 112 . PHE . 16271 1 113 . LEU . 16271 1 114 . SER . 16271 1 115 . ALA . 16271 1 116 . VAL . 16271 1 117 . LEU . 16271 1 118 . ALA . 16271 1 119 . ALA . 16271 1 120 . GLN . 16271 1 121 . LYS . 16271 1 122 . ALA . 16271 1 123 . GLN . 16271 1 124 . SER . 16271 1 125 . GLY . 16271 1 126 . PRO . 16271 1 127 . LEU . 16271 1 128 . GLY . 16271 1 129 . SER . 16271 1 130 . MET . 16271 1 131 . GLU . 16271 1 132 . PRO . 16271 1 133 . PRO . 16271 1 134 . LEU . 16271 1 135 . PRO . 16271 1 136 . VAL . 16271 1 137 . GLY . 16271 1 138 . ALA . 16271 1 139 . GLN . 16271 1 140 . PRO . 16271 1 141 . LEU . 16271 1 142 . ALA . 16271 1 143 . THR . 16271 1 144 . VAL . 16271 1 145 . GLU . 16271 1 146 . GLY . 16271 1 147 . MET . 16271 1 148 . GLU . 16271 1 149 . MET . 16271 1 150 . LYS . 16271 1 151 . GLY . 16271 1 152 . PRO . 16271 1 153 . LEU . 16271 1 154 . ARG . 16271 1 155 . GLU . 16271 1 156 . PRO . 16271 1 157 . CYS . 16271 1 158 . ALA . 16271 1 159 . LEU . 16271 1 160 . THR . 16271 1 161 . LEU . 16271 1 162 . ALA . 16271 1 163 . GLN . 16271 1 164 . ARG . 16271 1 165 . ASN . 16271 1 166 . GLY . 16271 1 167 . GLN . 16271 1 168 . TYR . 16271 1 169 . GLU . 16271 1 170 . LEU . 16271 1 171 . ILE . 16271 1 172 . ILE . 16271 1 173 . GLN . 16271 1 174 . LEU . 16271 1 175 . HIS . 16271 1 176 . GLU . 16271 1 177 . LYS . 16271 1 178 . GLU . 16271 1 179 . GLN . 16271 1 180 . HIS . 16271 1 181 . VAL . 16271 1 182 . GLN . 16271 1 183 . ASP . 16271 1 184 . ILE . 16271 1 185 . ILE . 16271 1 186 . PRO . 16271 1 187 . ILE . 16271 1 188 . ASN . 16271 1 189 . SER . 16271 1 190 . HIS . 16271 1 191 . PHE . 16271 1 192 . ARG . 16271 1 193 . CYS . 16271 1 194 . VAL . 16271 1 195 . GLN . 16271 1 196 . GLU . 16271 1 197 . ALA . 16271 1 198 . GLU . 16271 1 199 . GLU . 16271 1 200 . THR . 16271 1 201 . LEU . 16271 1 202 . LEU . 16271 1 203 . ILE . 16271 1 204 . ASP . 16271 1 205 . ILE . 16271 1 206 . ALA . 16271 1 207 . SER . 16271 1 208 . ASN . 16271 1 209 . SER . 16271 1 210 . GLY . 16271 1 211 . CYS . 16271 1 212 . LYS . 16271 1 213 . ILE . 16271 1 214 . ARG . 16271 1 215 . VAL . 16271 1 216 . GLN . 16271 1 217 . GLY . 16271 1 218 . ASP . 16271 1 219 . TRP . 16271 1 220 . ILE . 16271 1 221 . ARG . 16271 1 222 . GLU . 16271 1 223 . ARG . 16271 1 224 . ARG . 16271 1 225 . PHE . 16271 1 226 . GLU . 16271 1 227 . ILE . 16271 1 228 . PRO . 16271 1 229 . ASP . 16271 1 230 . GLU . 16271 1 231 . GLU . 16271 1 232 . HIS . 16271 1 233 . CYS . 16271 1 234 . LEU . 16271 1 235 . LYS . 16271 1 236 . PHE . 16271 1 237 . LEU . 16271 1 238 . SER . 16271 1 239 . ALA . 16271 1 240 . VAL . 16271 1 241 . LEU . 16271 1 242 . ALA . 16271 1 243 . ALA . 16271 1 244 . GLN . 16271 1 245 . LYS . 16271 1 246 . ALA . 16271 1 247 . GLN . 16271 1 248 . SER . 16271 1 249 . GLY . 16271 1 250 . PRO . 16271 1 251 . LEU . 16271 1 252 . GLY . 16271 1 253 . SER . 16271 1 254 . MET . 16271 1 255 . GLU . 16271 1 256 . PRO . 16271 1 257 . PRO . 16271 1 258 . LEU . 16271 1 259 . PRO . 16271 1 260 . VAL . 16271 1 261 . GLY . 16271 1 262 . ALA . 16271 1 263 . GLN . 16271 1 264 . PRO . 16271 1 265 . LEU . 16271 1 266 . ALA . 16271 1 267 . THR . 16271 1 268 . VAL . 16271 1 269 . GLU . 16271 1 270 . GLY . 16271 1 271 . MET . 16271 1 272 . GLU . 16271 1 273 . MET . 16271 1 274 . LYS . 16271 1 275 . GLY . 16271 1 276 . PRO . 16271 1 277 . LEU . 16271 1 278 . ARG . 16271 1 279 . GLU . 16271 1 280 . PRO . 16271 1 281 . CYS . 16271 1 282 . ALA . 16271 1 283 . LEU . 16271 1 284 . THR . 16271 1 285 . LEU . 16271 1 286 . ALA . 16271 1 287 . GLN . 16271 1 288 . ARG . 16271 1 289 . ASN . 16271 1 290 . GLY . 16271 1 291 . GLN . 16271 1 292 . TYR . 16271 1 293 . GLU . 16271 1 294 . LEU . 16271 1 295 . ILE . 16271 1 296 . ILE . 16271 1 297 . GLN . 16271 1 298 . LEU . 16271 1 299 . HIS . 16271 1 300 . GLU . 16271 1 301 . LYS . 16271 1 302 . GLU . 16271 1 303 . GLN . 16271 1 304 . HIS . 16271 1 305 . VAL . 16271 1 306 . GLN . 16271 1 307 . ASP . 16271 1 308 . ILE . 16271 1 309 . ILE . 16271 1 310 . PRO . 16271 1 311 . ILE . 16271 1 312 . ASN . 16271 1 313 . SER . 16271 1 314 . HIS . 16271 1 315 . PHE . 16271 1 316 . ARG . 16271 1 317 . CYS . 16271 1 318 . VAL . 16271 1 319 . GLN . 16271 1 320 . GLU . 16271 1 321 . ALA . 16271 1 322 . GLU . 16271 1 323 . GLU . 16271 1 324 . THR . 16271 1 325 . LEU . 16271 1 326 . LEU . 16271 1 327 . ILE . 16271 1 328 . ASP . 16271 1 329 . ILE . 16271 1 330 . ALA . 16271 1 331 . SER . 16271 1 332 . ASN . 16271 1 333 . SER . 16271 1 334 . GLY . 16271 1 335 . CYS . 16271 1 336 . LYS . 16271 1 337 . ILE . 16271 1 338 . ARG . 16271 1 339 . VAL . 16271 1 340 . GLN . 16271 1 341 . GLY . 16271 1 342 . ASP . 16271 1 343 . TRP . 16271 1 344 . ILE . 16271 1 345 . ARG . 16271 1 346 . GLU . 16271 1 347 . ARG . 16271 1 348 . ARG . 16271 1 349 . PHE . 16271 1 350 . GLU . 16271 1 351 . ILE . 16271 1 352 . PRO . 16271 1 353 . ASP . 16271 1 354 . GLU . 16271 1 355 . GLU . 16271 1 356 . HIS . 16271 1 357 . CYS . 16271 1 358 . LEU . 16271 1 359 . LYS . 16271 1 360 . PHE . 16271 1 361 . LEU . 16271 1 362 . SER . 16271 1 363 . ALA . 16271 1 364 . VAL . 16271 1 365 . LEU . 16271 1 366 . ALA . 16271 1 367 . ALA . 16271 1 368 . GLN . 16271 1 369 . LYS . 16271 1 370 . ALA . 16271 1 371 . GLN . 16271 1 372 . SER . 16271 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 . GLY 1 1 16271 1 . PRO 2 2 16271 1 . LEU 3 3 16271 1 . GLY 4 4 16271 1 . SER 5 5 16271 1 . MET 6 6 16271 1 . GLU 7 7 16271 1 . PRO 8 8 16271 1 . PRO 9 9 16271 1 . LEU 10 10 16271 1 . PRO 11 11 16271 1 . VAL 12 12 16271 1 . GLY 13 13 16271 1 . ALA 14 14 16271 1 . GLN 15 15 16271 1 . PRO 16 16 16271 1 . LEU 17 17 16271 1 . ALA 18 18 16271 1 . THR 19 19 16271 1 . VAL 20 20 16271 1 . GLU 21 21 16271 1 . GLY 22 22 16271 1 . MET 23 23 16271 1 . GLU 24 24 16271 1 . MET 25 25 16271 1 . LYS 26 26 16271 1 . GLY 27 27 16271 1 . PRO 28 28 16271 1 . LEU 29 29 16271 1 . ARG 30 30 16271 1 . GLU 31 31 16271 1 . PRO 32 32 16271 1 . CYS 33 33 16271 1 . ALA 34 34 16271 1 . LEU 35 35 16271 1 . THR 36 36 16271 1 . LEU 37 37 16271 1 . ALA 38 38 16271 1 . GLN 39 39 16271 1 . ARG 40 40 16271 1 . ASN 41 41 16271 1 . GLY 42 42 16271 1 . GLN 43 43 16271 1 . TYR 44 44 16271 1 . GLU 45 45 16271 1 . LEU 46 46 16271 1 . ILE 47 47 16271 1 . ILE 48 48 16271 1 . GLN 49 49 16271 1 . LEU 50 50 16271 1 . HIS 51 51 16271 1 . GLU 52 52 16271 1 . LYS 53 53 16271 1 . GLU 54 54 16271 1 . GLN 55 55 16271 1 . HIS 56 56 16271 1 . VAL 57 57 16271 1 . GLN 58 58 16271 1 . ASP 59 59 16271 1 . ILE 60 60 16271 1 . ILE 61 61 16271 1 . PRO 62 62 16271 1 . ILE 63 63 16271 1 . ASN 64 64 16271 1 . SER 65 65 16271 1 . HIS 66 66 16271 1 . PHE 67 67 16271 1 . ARG 68 68 16271 1 . CYS 69 69 16271 1 . VAL 70 70 16271 1 . GLN 71 71 16271 1 . GLU 72 72 16271 1 . ALA 73 73 16271 1 . GLU 74 74 16271 1 . GLU 75 75 16271 1 . THR 76 76 16271 1 . LEU 77 77 16271 1 . LEU 78 78 16271 1 . ILE 79 79 16271 1 . ASP 80 80 16271 1 . ILE 81 81 16271 1 . ALA 82 82 16271 1 . SER 83 83 16271 1 . ASN 84 84 16271 1 . SER 85 85 16271 1 . GLY 86 86 16271 1 . CYS 87 87 16271 1 . LYS 88 88 16271 1 . ILE 89 89 16271 1 . ARG 90 90 16271 1 . VAL 91 91 16271 1 . GLN 92 92 16271 1 . GLY 93 93 16271 1 . ASP 94 94 16271 1 . TRP 95 95 16271 1 . ILE 96 96 16271 1 . ARG 97 97 16271 1 . GLU 98 98 16271 1 . ARG 99 99 16271 1 . ARG 100 100 16271 1 . PHE 101 101 16271 1 . GLU 102 102 16271 1 . ILE 103 103 16271 1 . PRO 104 104 16271 1 . ASP 105 105 16271 1 . GLU 106 106 16271 1 . GLU 107 107 16271 1 . HIS 108 108 16271 1 . CYS 109 109 16271 1 . LEU 110 110 16271 1 . LYS 111 111 16271 1 . PHE 112 112 16271 1 . LEU 113 113 16271 1 . SER 114 114 16271 1 . ALA 115 115 16271 1 . VAL 116 116 16271 1 . LEU 117 117 16271 1 . ALA 118 118 16271 1 . ALA 119 119 16271 1 . GLN 120 120 16271 1 . LYS 121 121 16271 1 . ALA 122 122 16271 1 . GLN 123 123 16271 1 . SER 124 124 16271 1 . GLY 125 125 16271 1 . PRO 126 126 16271 1 . LEU 127 127 16271 1 . GLY 128 128 16271 1 . SER 129 129 16271 1 . MET 130 130 16271 1 . GLU 131 131 16271 1 . PRO 132 132 16271 1 . PRO 133 133 16271 1 . LEU 134 134 16271 1 . PRO 135 135 16271 1 . VAL 136 136 16271 1 . GLY 137 137 16271 1 . ALA 138 138 16271 1 . GLN 139 139 16271 1 . PRO 140 140 16271 1 . LEU 141 141 16271 1 . ALA 142 142 16271 1 . THR 143 143 16271 1 . VAL 144 144 16271 1 . GLU 145 145 16271 1 . GLY 146 146 16271 1 . MET 147 147 16271 1 . GLU 148 148 16271 1 . MET 149 149 16271 1 . LYS 150 150 16271 1 . GLY 151 151 16271 1 . PRO 152 152 16271 1 . LEU 153 153 16271 1 . ARG 154 154 16271 1 . GLU 155 155 16271 1 . PRO 156 156 16271 1 . CYS 157 157 16271 1 . ALA 158 158 16271 1 . LEU 159 159 16271 1 . THR 160 160 16271 1 . LEU 161 161 16271 1 . ALA 162 162 16271 1 . GLN 163 163 16271 1 . ARG 164 164 16271 1 . ASN 165 165 16271 1 . GLY 166 166 16271 1 . GLN 167 167 16271 1 . TYR 168 168 16271 1 . GLU 169 169 16271 1 . LEU 170 170 16271 1 . ILE 171 171 16271 1 . ILE 172 172 16271 1 . GLN 173 173 16271 1 . LEU 174 174 16271 1 . HIS 175 175 16271 1 . GLU 176 176 16271 1 . LYS 177 177 16271 1 . GLU 178 178 16271 1 . GLN 179 179 16271 1 . HIS 180 180 16271 1 . VAL 181 181 16271 1 . GLN 182 182 16271 1 . ASP 183 183 16271 1 . ILE 184 184 16271 1 . ILE 185 185 16271 1 . PRO 186 186 16271 1 . ILE 187 187 16271 1 . ASN 188 188 16271 1 . SER 189 189 16271 1 . HIS 190 190 16271 1 . PHE 191 191 16271 1 . ARG 192 192 16271 1 . CYS 193 193 16271 1 . VAL 194 194 16271 1 . GLN 195 195 16271 1 . GLU 196 196 16271 1 . ALA 197 197 16271 1 . GLU 198 198 16271 1 . GLU 199 199 16271 1 . THR 200 200 16271 1 . LEU 201 201 16271 1 . LEU 202 202 16271 1 . ILE 203 203 16271 1 . ASP 204 204 16271 1 . ILE 205 205 16271 1 . ALA 206 206 16271 1 . SER 207 207 16271 1 . ASN 208 208 16271 1 . SER 209 209 16271 1 . GLY 210 210 16271 1 . CYS 211 211 16271 1 . LYS 212 212 16271 1 . ILE 213 213 16271 1 . ARG 214 214 16271 1 . VAL 215 215 16271 1 . GLN 216 216 16271 1 . GLY 217 217 16271 1 . ASP 218 218 16271 1 . TRP 219 219 16271 1 . ILE 220 220 16271 1 . ARG 221 221 16271 1 . GLU 222 222 16271 1 . ARG 223 223 16271 1 . ARG 224 224 16271 1 . PHE 225 225 16271 1 . GLU 226 226 16271 1 . ILE 227 227 16271 1 . PRO 228 228 16271 1 . ASP 229 229 16271 1 . GLU 230 230 16271 1 . GLU 231 231 16271 1 . HIS 232 232 16271 1 . CYS 233 233 16271 1 . LEU 234 234 16271 1 . LYS 235 235 16271 1 . PHE 236 236 16271 1 . LEU 237 237 16271 1 . SER 238 238 16271 1 . ALA 239 239 16271 1 . VAL 240 240 16271 1 . LEU 241 241 16271 1 . ALA 242 242 16271 1 . ALA 243 243 16271 1 . GLN 244 244 16271 1 . LYS 245 245 16271 1 . ALA 246 246 16271 1 . GLN 247 247 16271 1 . SER 248 248 16271 1 . GLY 249 249 16271 1 . PRO 250 250 16271 1 . LEU 251 251 16271 1 . GLY 252 252 16271 1 . SER 253 253 16271 1 . MET 254 254 16271 1 . GLU 255 255 16271 1 . PRO 256 256 16271 1 . PRO 257 257 16271 1 . LEU 258 258 16271 1 . PRO 259 259 16271 1 . VAL 260 260 16271 1 . GLY 261 261 16271 1 . ALA 262 262 16271 1 . GLN 263 263 16271 1 . PRO 264 264 16271 1 . LEU 265 265 16271 1 . ALA 266 266 16271 1 . THR 267 267 16271 1 . VAL 268 268 16271 1 . GLU 269 269 16271 1 . GLY 270 270 16271 1 . MET 271 271 16271 1 . GLU 272 272 16271 1 . MET 273 273 16271 1 . LYS 274 274 16271 1 . GLY 275 275 16271 1 . PRO 276 276 16271 1 . LEU 277 277 16271 1 . ARG 278 278 16271 1 . GLU 279 279 16271 1 . PRO 280 280 16271 1 . CYS 281 281 16271 1 . ALA 282 282 16271 1 . LEU 283 283 16271 1 . THR 284 284 16271 1 . LEU 285 285 16271 1 . ALA 286 286 16271 1 . GLN 287 287 16271 1 . ARG 288 288 16271 1 . ASN 289 289 16271 1 . GLY 290 290 16271 1 . GLN 291 291 16271 1 . TYR 292 292 16271 1 . GLU 293 293 16271 1 . LEU 294 294 16271 1 . ILE 295 295 16271 1 . ILE 296 296 16271 1 . GLN 297 297 16271 1 . LEU 298 298 16271 1 . HIS 299 299 16271 1 . GLU 300 300 16271 1 . LYS 301 301 16271 1 . GLU 302 302 16271 1 . GLN 303 303 16271 1 . HIS 304 304 16271 1 . VAL 305 305 16271 1 . GLN 306 306 16271 1 . ASP 307 307 16271 1 . ILE 308 308 16271 1 . ILE 309 309 16271 1 . PRO 310 310 16271 1 . ILE 311 311 16271 1 . ASN 312 312 16271 1 . SER 313 313 16271 1 . HIS 314 314 16271 1 . PHE 315 315 16271 1 . ARG 316 316 16271 1 . CYS 317 317 16271 1 . VAL 318 318 16271 1 . GLN 319 319 16271 1 . GLU 320 320 16271 1 . ALA 321 321 16271 1 . GLU 322 322 16271 1 . GLU 323 323 16271 1 . THR 324 324 16271 1 . LEU 325 325 16271 1 . LEU 326 326 16271 1 . ILE 327 327 16271 1 . ASP 328 328 16271 1 . ILE 329 329 16271 1 . ALA 330 330 16271 1 . SER 331 331 16271 1 . ASN 332 332 16271 1 . SER 333 333 16271 1 . GLY 334 334 16271 1 . CYS 335 335 16271 1 . LYS 336 336 16271 1 . ILE 337 337 16271 1 . ARG 338 338 16271 1 . VAL 339 339 16271 1 . GLN 340 340 16271 1 . GLY 341 341 16271 1 . ASP 342 342 16271 1 . TRP 343 343 16271 1 . ILE 344 344 16271 1 . ARG 345 345 16271 1 . GLU 346 346 16271 1 . ARG 347 347 16271 1 . ARG 348 348 16271 1 . PHE 349 349 16271 1 . GLU 350 350 16271 1 . ILE 351 351 16271 1 . PRO 352 352 16271 1 . ASP 353 353 16271 1 . GLU 354 354 16271 1 . GLU 355 355 16271 1 . HIS 356 356 16271 1 . CYS 357 357 16271 1 . LEU 358 358 16271 1 . LYS 359 359 16271 1 . PHE 360 360 16271 1 . LEU 361 361 16271 1 . SER 362 362 16271 1 . ALA 363 363 16271 1 . VAL 364 364 16271 1 . LEU 365 365 16271 1 . ALA 366 366 16271 1 . ALA 367 367 16271 1 . GLN 368 368 16271 1 . LYS 369 369 16271 1 . ALA 370 370 16271 1 . GLN 371 371 16271 1 . SER 372 372 16271 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 16271 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 plasmid . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16271 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 16271 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX6p-1 . . . . . . 16271 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16271 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 'potasium phosphate' _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 entity . . . 1 $entity . . 1 . . mM . . . . 16271 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16271 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16271 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 . pH 16271 1 pressure 1 . atm 16271 1 temperature 298 . K 16271 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16271 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16271 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16271 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16271 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16271 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16271 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16271 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16271 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16271 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16271 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16271 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16271 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16271 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16271 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16271 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 16271 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16271 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16271 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl proton' . . . . ppm 0 internal direct 1.0 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 16271 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16271 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16271 1 2 '3D HNCO' . . . 16271 1 3 '3D HNCA' . . . 16271 1 4 '3D HNCACB' . . . 16271 1 5 '3D HN(CO)CA' . . . 16271 1 6 '3D CBCA(CO)NH' . . . 16271 1 7 '3D C(CO)NH' . . . 16271 1 8 '3D H(CCO)NH' . . . 16271 1 9 '3D HCCH-TOCSY' . . . 16271 1 10 '3D 1H-15N NOESY' . . . 16271 1 11 '3D 1H-13C NOESY' . . . 16271 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.866 0.002 . 9 . . . . 1 GLY HA2 . 16271 1 2 . 1 1 1 1 GLY HA3 H 1 3.519 0.003 . 9 . . . . 1 GLY HA3 . 16271 1 3 . 1 1 1 1 GLY CA C 13 43.128 0.035 . 9 . . . . 1 GLY CA . 16271 1 4 . 1 1 2 2 PRO HA H 1 4.417 0.005 . 9 . . . . 2 PRO HA . 16271 1 5 . 1 1 2 2 PRO HB2 H 1 2.262 0.006 . 9 . . . . 2 PRO HB2 . 16271 1 6 . 1 1 2 2 PRO HB3 H 1 1.901 0.003 . 9 . . . . 2 PRO HB3 . 16271 1 7 . 1 1 2 2 PRO HD2 H 1 3.521 0.003 . 9 . . . . 2 PRO QD . 16271 1 8 . 1 1 2 2 PRO HD3 H 1 3.521 0.003 . 9 . . . . 2 PRO QD . 16271 1 9 . 1 1 2 2 PRO HG2 H 1 1.960 0.009 . 9 . . . . 2 PRO QG . 16271 1 10 . 1 1 2 2 PRO HG3 H 1 1.960 0.009 . 9 . . . . 2 PRO QG . 16271 1 11 . 1 1 2 2 PRO CA C 13 63.168 0.085 . 9 . . . . 2 PRO CA . 16271 1 12 . 1 1 2 2 PRO CB C 13 32.290 0.038 . 9 . . . . 2 PRO CB . 16271 1 13 . 1 1 2 2 PRO CD C 13 49.651 0.044 . 9 . . . . 2 PRO CD . 16271 1 14 . 1 1 2 2 PRO CG C 13 27.042 0.040 . 9 . . . . 2 PRO CG . 16271 1 15 . 1 1 3 3 LEU H H 1 8.514 0.001 . 9 . . . . 3 LEU H . 16271 1 16 . 1 1 3 3 LEU HA H 1 4.268 0.001 . 9 . . . . 3 LEU HA . 16271 1 17 . 1 1 3 3 LEU HB2 H 1 1.585 0.003 . 9 . . . . 3 LEU QB . 16271 1 18 . 1 1 3 3 LEU HB3 H 1 1.585 0.003 . 9 . . . . 3 LEU QB . 16271 1 19 . 1 1 3 3 LEU HD11 H 1 0.824 0.000 . 9 . . . . 3 LEU QD1 . 16271 1 20 . 1 1 3 3 LEU HD12 H 1 0.824 0.000 . 9 . . . . 3 LEU QD1 . 16271 1 21 . 1 1 3 3 LEU HD13 H 1 0.824 0.000 . 9 . . . . 3 LEU QD1 . 16271 1 22 . 1 1 3 3 LEU HD21 H 1 0.861 0.000 . 9 . . . . 3 LEU QD2 . 16271 1 23 . 1 1 3 3 LEU HD22 H 1 0.861 0.000 . 9 . . . . 3 LEU QD2 . 16271 1 24 . 1 1 3 3 LEU HD23 H 1 0.861 0.000 . 9 . . . . 3 LEU QD2 . 16271 1 25 . 1 1 3 3 LEU HG H 1 1.597 0.000 . 9 . . . . 3 LEU HG . 16271 1 26 . 1 1 3 3 LEU CA C 13 55.432 0.022 . 9 . . . . 3 LEU CA . 16271 1 27 . 1 1 3 3 LEU CB C 13 42.121 0.031 . 9 . . . . 3 LEU CB . 16271 1 28 . 1 1 3 3 LEU CD1 C 13 23.422 0.035 . 9 . . . . 3 LEU CD1 . 16271 1 29 . 1 1 3 3 LEU CD2 C 13 24.812 0.004 . 9 . . . . 3 LEU CD2 . 16271 1 30 . 1 1 3 3 LEU CG C 13 27.095 0.017 . 9 . . . . 3 LEU CG . 16271 1 31 . 1 1 3 3 LEU N N 15 122.136 0.016 . 9 . . . . 3 LEU N . 16271 1 32 . 1 1 4 4 GLY H H 1 8.379 0.003 . 9 . . . . 4 GLY H . 16271 1 33 . 1 1 4 4 GLY HA2 H 1 3.979 0.003 . 9 . . . . 4 GLY HA2 . 16271 1 34 . 1 1 4 4 GLY HA3 H 1 3.877 0.010 . 9 . . . . 4 GLY HA3 . 16271 1 35 . 1 1 4 4 GLY CA C 13 45.339 0.005 . 9 . . . . 4 GLY CA . 16271 1 36 . 1 1 4 4 GLY N N 15 109.871 0.017 . 9 . . . . 4 GLY N . 16271 1 37 . 1 1 5 5 SER H H 1 8.142 0.001 . 9 . . . . 5 SER H . 16271 1 38 . 1 1 5 5 SER HA H 1 4.385 0.006 . 9 . . . . 5 SER HA . 16271 1 39 . 1 1 5 5 SER HB2 H 1 3.824 0.006 . 9 . . . . 5 SER QB . 16271 1 40 . 1 1 5 5 SER HB3 H 1 3.824 0.006 . 9 . . . . 5 SER QB . 16271 1 41 . 1 1 5 5 SER CA C 13 58.423 0.050 . 9 . . . . 5 SER CA . 16271 1 42 . 1 1 5 5 SER CB C 13 63.868 0.053 . 9 . . . . 5 SER CB . 16271 1 43 . 1 1 5 5 SER N N 15 115.654 0.011 . 9 . . . . 5 SER N . 16271 1 44 . 1 1 6 6 MET H H 1 8.370 0.002 . 9 . . . . 6 MET H . 16271 1 45 . 1 1 6 6 MET HA H 1 4.446 0.004 . 9 . . . . 6 MET HA . 16271 1 46 . 1 1 6 6 MET HB2 H 1 2.042 0.007 . 9 . . . . 6 MET HB2 . 16271 1 47 . 1 1 6 6 MET HB3 H 1 1.921 0.004 . 9 . . . . 6 MET HB3 . 16271 1 48 . 1 1 6 6 MET HG2 H 1 2.455 0.001 . 9 . . . . 6 MET HG2 . 16271 1 49 . 1 1 6 6 MET HG3 H 1 2.532 0.004 . 9 . . . . 6 MET HG3 . 16271 1 50 . 1 1 6 6 MET CA C 13 55.177 0.016 . 9 . . . . 6 MET CA . 16271 1 51 . 1 1 6 6 MET CB C 13 32.910 0.004 . 9 . . . . 6 MET CB . 16271 1 52 . 1 1 6 6 MET CG C 13 31.966 0.022 . 9 . . . . 6 MET CG . 16271 1 53 . 1 1 6 6 MET N N 15 121.793 0.035 . 9 . . . . 6 MET N . 16271 1 54 . 1 1 7 7 GLU H H 1 8.211 0.003 . 9 . . . . 7 GLU H . 16271 1 55 . 1 1 7 7 GLU HA H 1 4.369 0.001 . 9 . . . . 7 GLU HA . 16271 1 56 . 1 1 7 7 GLU HB2 H 1 1.747 0.004 . 9 . . . . 7 GLU HB2 . 16271 1 57 . 1 1 7 7 GLU HB3 H 1 1.897 0.006 . 9 . . . . 7 GLU HB3 . 16271 1 58 . 1 1 7 7 GLU HG2 H 1 2.172 0.011 . 9 . . . . 7 GLU QG . 16271 1 59 . 1 1 7 7 GLU HG3 H 1 2.172 0.011 . 9 . . . . 7 GLU QG . 16271 1 60 . 1 1 7 7 GLU CA C 13 54.378 0.056 . 9 . . . . 7 GLU CA . 16271 1 61 . 1 1 7 7 GLU CB C 13 29.434 0.056 . 9 . . . . 7 GLU CB . 16271 1 62 . 1 1 7 7 GLU CG C 13 36.006 0.036 . 9 . . . . 7 GLU CG . 16271 1 63 . 1 1 7 7 GLU N N 15 123.061 0.025 . 9 . . . . 7 GLU N . 16271 1 64 . 1 1 8 8 PRO HA H 1 4.556 0.004 . 9 . . . . 8 PRO HA . 16271 1 65 . 1 1 8 8 PRO HB2 H 1 2.178 0.004 . 9 . . . . 8 PRO HB2 . 16271 1 66 . 1 1 8 8 PRO HB3 H 1 1.788 0.001 . 9 . . . . 8 PRO HB3 . 16271 1 67 . 1 1 8 8 PRO HD2 H 1 3.680 0.008 . 9 . . . . 8 PRO HD2 . 16271 1 68 . 1 1 8 8 PRO HD3 H 1 3.542 0.004 . 9 . . . . 8 PRO HD3 . 16271 1 69 . 1 1 8 8 PRO HG2 H 1 1.914 0.005 . 9 . . . . 8 PRO HG2 . 16271 1 70 . 1 1 8 8 PRO HG3 H 1 1.856 0.002 . 9 . . . . 8 PRO HG3 . 16271 1 71 . 1 1 8 8 PRO CA C 13 61.397 0.019 . 9 . . . . 8 PRO CA . 16271 1 72 . 1 1 8 8 PRO CB C 13 30.808 0.033 . 9 . . . . 8 PRO CB . 16271 1 73 . 1 1 8 8 PRO CD C 13 50.455 0.060 . 9 . . . . 8 PRO CD . 16271 1 74 . 1 1 8 8 PRO CG C 13 27.350 0.000 . 9 . . . . 8 PRO CG . 16271 1 75 . 1 1 9 9 PRO HA H 1 4.394 0.005 . 9 . . . . 9 PRO HA . 16271 1 76 . 1 1 9 9 PRO HB2 H 1 2.171 0.004 . 9 . . . . 9 PRO HB2 . 16271 1 77 . 1 1 9 9 PRO HB3 H 1 1.895 0.008 . 9 . . . . 9 PRO HB3 . 16271 1 78 . 1 1 9 9 PRO HD2 H 1 3.544 0.008 . 9 . . . . 9 PRO HD2 . 16271 1 79 . 1 1 9 9 PRO HD3 H 1 3.694 0.013 . 9 . . . . 9 PRO HD3 . 16271 1 80 . 1 1 9 9 PRO HG2 H 1 1.870 0.001 . 9 . . . . 9 PRO QG . 16271 1 81 . 1 1 9 9 PRO HG3 H 1 1.870 0.001 . 9 . . . . 9 PRO QG . 16271 1 82 . 1 1 9 9 PRO CA C 13 62.542 0.060 . 9 . . . . 9 PRO CA . 16271 1 83 . 1 1 9 9 PRO CB C 13 31.874 0.069 . 9 . . . . 9 PRO CB . 16271 1 84 . 1 1 9 9 PRO CD C 13 50.296 0.046 . 9 . . . . 9 PRO CD . 16271 1 85 . 1 1 9 9 PRO CG C 13 27.025 0.036 . 9 . . . . 9 PRO CG . 16271 1 86 . 1 1 10 10 LEU H H 1 8.122 0.008 . 9 . . . . 10 LEU H . 16271 1 87 . 1 1 10 10 LEU HA H 1 4.426 0.004 . 9 . . . . 10 LEU HA . 16271 1 88 . 1 1 10 10 LEU HB2 H 1 1.235 0.004 . 9 . . . . 10 LEU HB2 . 16271 1 89 . 1 1 10 10 LEU HB3 H 1 1.587 0.005 . 9 . . . . 10 LEU HB3 . 16271 1 90 . 1 1 10 10 LEU HD11 H 1 0.769 0.006 . 9 . . . . 10 LEU QD1 . 16271 1 91 . 1 1 10 10 LEU HD12 H 1 0.769 0.006 . 9 . . . . 10 LEU QD1 . 16271 1 92 . 1 1 10 10 LEU HD13 H 1 0.769 0.006 . 9 . . . . 10 LEU QD1 . 16271 1 93 . 1 1 10 10 LEU HD21 H 1 0.794 0.003 . 9 . . . . 10 LEU QD2 . 16271 1 94 . 1 1 10 10 LEU HD22 H 1 0.794 0.003 . 9 . . . . 10 LEU QD2 . 16271 1 95 . 1 1 10 10 LEU HD23 H 1 0.794 0.003 . 9 . . . . 10 LEU QD2 . 16271 1 96 . 1 1 10 10 LEU HG H 1 1.705 0.008 . 9 . . . . 10 LEU HG . 16271 1 97 . 1 1 10 10 LEU CA C 13 52.939 0.001 . 9 . . . . 10 LEU CA . 16271 1 98 . 1 1 10 10 LEU CB C 13 41.823 0.103 . 9 . . . . 10 LEU CB . 16271 1 99 . 1 1 10 10 LEU CD1 C 13 23.145 0.064 . 9 . . . . 10 LEU CD1 . 16271 1 100 . 1 1 10 10 LEU CD2 C 13 25.727 0.044 . 9 . . . . 10 LEU CD2 . 16271 1 101 . 1 1 10 10 LEU CG C 13 26.943 0.064 . 9 . . . . 10 LEU CG . 16271 1 102 . 1 1 10 10 LEU N N 15 121.191 0.022 . 9 . . . . 10 LEU N . 16271 1 103 . 1 1 11 11 PRO HA H 1 4.325 0.004 . 9 . . . . 11 PRO HA . 16271 1 104 . 1 1 11 11 PRO HB2 H 1 1.572 0.004 . 9 . . . . 11 PRO HB2 . 16271 1 105 . 1 1 11 11 PRO HB3 H 1 2.226 0.006 . 9 . . . . 11 PRO HB3 . 16271 1 106 . 1 1 11 11 PRO HD2 H 1 3.221 0.007 . 9 . . . . 11 PRO HD2 . 16271 1 107 . 1 1 11 11 PRO HD3 H 1 3.651 0.022 . 9 . . . . 11 PRO HD3 . 16271 1 108 . 1 1 11 11 PRO HG2 H 1 1.888 0.005 . 9 . . . . 11 PRO HG2 . 16271 1 109 . 1 1 11 11 PRO HG3 H 1 1.780 0.003 . 9 . . . . 11 PRO HG3 . 16271 1 110 . 1 1 11 11 PRO CA C 13 62.707 0.033 . 9 . . . . 11 PRO CA . 16271 1 111 . 1 1 11 11 PRO CB C 13 31.882 0.042 . 9 . . . . 11 PRO CB . 16271 1 112 . 1 1 11 11 PRO CD C 13 50.159 0.046 . 9 . . . . 11 PRO CD . 16271 1 113 . 1 1 11 11 PRO CG C 13 27.698 0.053 . 9 . . . . 11 PRO CG . 16271 1 114 . 1 1 12 12 VAL H H 1 8.209 0.003 . 9 . . . . 12 VAL H . 16271 1 115 . 1 1 12 12 VAL HA H 1 3.749 0.006 . 9 . . . . 12 VAL HA . 16271 1 116 . 1 1 12 12 VAL HB H 1 1.920 0.004 . 9 . . . . 12 VAL HB . 16271 1 117 . 1 1 12 12 VAL HG11 H 1 0.898 0.004 . 9 . . . . 12 VAL QG1 . 16271 1 118 . 1 1 12 12 VAL HG12 H 1 0.898 0.004 . 9 . . . . 12 VAL QG1 . 16271 1 119 . 1 1 12 12 VAL HG13 H 1 0.898 0.004 . 9 . . . . 12 VAL QG1 . 16271 1 120 . 1 1 12 12 VAL HG21 H 1 1.008 0.007 . 9 . . . . 12 VAL QG2 . 16271 1 121 . 1 1 12 12 VAL HG22 H 1 1.008 0.007 . 9 . . . . 12 VAL QG2 . 16271 1 122 . 1 1 12 12 VAL HG23 H 1 1.008 0.007 . 9 . . . . 12 VAL QG2 . 16271 1 123 . 1 1 12 12 VAL CA C 13 64.129 0.049 . 9 . . . . 12 VAL CA . 16271 1 124 . 1 1 12 12 VAL CB C 13 31.763 0.058 . 9 . . . . 12 VAL CB . 16271 1 125 . 1 1 12 12 VAL CG1 C 13 20.696 0.055 . 9 . . . . 12 VAL CG1 . 16271 1 126 . 1 1 12 12 VAL CG2 C 13 21.490 0.077 . 9 . . . . 12 VAL CG2 . 16271 1 127 . 1 1 12 12 VAL N N 15 122.313 0.024 . 9 . . . . 12 VAL N . 16271 1 128 . 1 1 13 13 GLY H H 1 8.737 0.004 . 9 . . . . 13 GLY H . 16271 1 129 . 1 1 13 13 GLY HA2 H 1 3.668 0.005 . 9 . . . . 13 GLY HA2 . 16271 1 130 . 1 1 13 13 GLY HA3 H 1 4.156 0.006 . 9 . . . . 13 GLY HA3 . 16271 1 131 . 1 1 13 13 GLY CA C 13 44.781 0.025 . 9 . . . . 13 GLY CA . 16271 1 132 . 1 1 13 13 GLY N N 15 114.166 0.025 . 9 . . . . 13 GLY N . 16271 1 133 . 1 1 14 14 ALA H H 1 7.916 0.003 . 9 . . . . 14 ALA H . 16271 1 134 . 1 1 14 14 ALA HA H 1 4.426 0.003 . 9 . . . . 14 ALA HA . 16271 1 135 . 1 1 14 14 ALA HB1 H 1 1.110 0.003 . 9 . . . . 14 ALA QB . 16271 1 136 . 1 1 14 14 ALA HB2 H 1 1.110 0.003 . 9 . . . . 14 ALA QB . 16271 1 137 . 1 1 14 14 ALA HB3 H 1 1.110 0.003 . 9 . . . . 14 ALA QB . 16271 1 138 . 1 1 14 14 ALA CA C 13 51.578 0.013 . 9 . . . . 14 ALA CA . 16271 1 139 . 1 1 14 14 ALA CB C 13 19.559 0.043 . 9 . . . . 14 ALA CB . 16271 1 140 . 1 1 14 14 ALA N N 15 122.190 0.017 . 9 . . . . 14 ALA N . 16271 1 141 . 1 1 15 15 GLN H H 1 8.843 0.004 . 9 . . . . 15 GLN H . 16271 1 142 . 1 1 15 15 GLN HA H 1 4.872 0.004 . 9 . . . . 15 GLN HA . 16271 1 143 . 1 1 15 15 GLN HB2 H 1 1.997 0.004 . 9 . . . . 15 GLN HB2 . 16271 1 144 . 1 1 15 15 GLN HB3 H 1 2.085 0.005 . 9 . . . . 15 GLN HB3 . 16271 1 145 . 1 1 15 15 GLN HE21 H 1 6.792 0.001 . 9 . . . . 15 GLN HE21 . 16271 1 146 . 1 1 15 15 GLN HE22 H 1 7.334 0.002 . 9 . . . . 15 GLN HE22 . 16271 1 147 . 1 1 15 15 GLN HG2 H 1 2.268 0.005 . 9 . . . . 15 GLN QG . 16271 1 148 . 1 1 15 15 GLN HG3 H 1 2.268 0.005 . 9 . . . . 15 GLN QG . 16271 1 149 . 1 1 15 15 GLN CA C 13 52.002 0.081 . 9 . . . . 15 GLN CA . 16271 1 150 . 1 1 15 15 GLN CB C 13 29.938 0.051 . 9 . . . . 15 GLN CB . 16271 1 151 . 1 1 15 15 GLN CG C 13 33.162 0.022 . 9 . . . . 15 GLN CG . 16271 1 152 . 1 1 15 15 GLN N N 15 123.058 0.029 . 9 . . . . 15 GLN N . 16271 1 153 . 1 1 15 15 GLN NE2 N 15 111.789 0.138 . 9 . . . . 15 GLN NE2 . 16271 1 154 . 1 1 16 16 PRO HA H 1 4.306 0.003 . 9 . . . . 16 PRO HA . 16271 1 155 . 1 1 16 16 PRO HB2 H 1 1.913 0.003 . 9 . . . . 16 PRO QB . 16271 1 156 . 1 1 16 16 PRO HB3 H 1 1.913 0.003 . 9 . . . . 16 PRO QB . 16271 1 157 . 1 1 16 16 PRO HD2 H 1 3.828 0.002 . 9 . . . . 16 PRO HD2 . 16271 1 158 . 1 1 16 16 PRO HD3 H 1 3.729 0.003 . 9 . . . . 16 PRO HD3 . 16271 1 159 . 1 1 16 16 PRO HG2 H 1 2.207 0.007 . 9 . . . . 16 PRO QG . 16271 1 160 . 1 1 16 16 PRO HG3 H 1 2.207 0.007 . 9 . . . . 16 PRO QG . 16271 1 161 . 1 1 16 16 PRO CA C 13 62.914 0.051 . 9 . . . . 16 PRO CA . 16271 1 162 . 1 1 16 16 PRO CB C 13 32.080 0.046 . 9 . . . . 16 PRO CB . 16271 1 163 . 1 1 16 16 PRO CD C 13 50.780 0.000 . 9 . . . . 16 PRO CD . 16271 1 164 . 1 1 16 16 PRO CG C 13 27.221 0.025 . 9 . . . . 16 PRO CG . 16271 1 165 . 1 1 17 17 LEU H H 1 9.476 0.005 . 9 . . . . 17 LEU H . 16271 1 166 . 1 1 17 17 LEU HA H 1 4.495 0.006 . 9 . . . . 17 LEU HA . 16271 1 167 . 1 1 17 17 LEU HB2 H 1 1.536 0.040 . 9 . . . . 17 LEU HB2 . 16271 1 168 . 1 1 17 17 LEU HB3 H 1 1.396 0.005 . 9 . . . . 17 LEU HB3 . 16271 1 169 . 1 1 17 17 LEU HD11 H 1 0.837 0.003 . 9 . . . . 17 LEU QD1 . 16271 1 170 . 1 1 17 17 LEU HD12 H 1 0.837 0.003 . 9 . . . . 17 LEU QD1 . 16271 1 171 . 1 1 17 17 LEU HD13 H 1 0.837 0.003 . 9 . . . . 17 LEU QD1 . 16271 1 172 . 1 1 17 17 LEU HD21 H 1 0.924 0.006 . 9 . . . . 17 LEU QD2 . 16271 1 173 . 1 1 17 17 LEU HD22 H 1 0.924 0.006 . 9 . . . . 17 LEU QD2 . 16271 1 174 . 1 1 17 17 LEU HD23 H 1 0.924 0.006 . 9 . . . . 17 LEU QD2 . 16271 1 175 . 1 1 17 17 LEU HG H 1 1.724 0.004 . 9 . . . . 17 LEU HG . 16271 1 176 . 1 1 17 17 LEU CA C 13 55.775 0.059 . 9 . . . . 17 LEU CA . 16271 1 177 . 1 1 17 17 LEU CB C 13 43.308 0.024 . 9 . . . . 17 LEU CB . 16271 1 178 . 1 1 17 17 LEU CD1 C 13 23.314 0.028 . 9 . . . . 17 LEU CD1 . 16271 1 179 . 1 1 17 17 LEU CD2 C 13 25.608 0.061 . 9 . . . . 17 LEU CD2 . 16271 1 180 . 1 1 17 17 LEU CG C 13 27.785 0.050 . 9 . . . . 17 LEU CG . 16271 1 181 . 1 1 17 17 LEU N N 15 124.151 0.027 . 9 . . . . 17 LEU N . 16271 1 182 . 1 1 18 18 ALA H H 1 7.583 0.003 . 9 . . . . 18 ALA H . 16271 1 183 . 1 1 18 18 ALA HA H 1 4.611 0.004 . 9 . . . . 18 ALA HA . 16271 1 184 . 1 1 18 18 ALA HB1 H 1 1.393 0.002 . 9 . . . . 18 ALA QB . 16271 1 185 . 1 1 18 18 ALA HB2 H 1 1.393 0.002 . 9 . . . . 18 ALA QB . 16271 1 186 . 1 1 18 18 ALA HB3 H 1 1.393 0.002 . 9 . . . . 18 ALA QB . 16271 1 187 . 1 1 18 18 ALA CA C 13 52.631 0.019 . 9 . . . . 18 ALA CA . 16271 1 188 . 1 1 18 18 ALA CB C 13 21.565 0.032 . 9 . . . . 18 ALA CB . 16271 1 189 . 1 1 18 18 ALA N N 15 118.780 0.032 . 9 . . . . 18 ALA N . 16271 1 190 . 1 1 19 19 THR H H 1 8.671 0.002 . 9 . . . . 19 THR H . 16271 1 191 . 1 1 19 19 THR HA H 1 5.679 0.009 . 9 . . . . 19 THR HA . 16271 1 192 . 1 1 19 19 THR HB H 1 3.829 0.005 . 9 . . . . 19 THR HB . 16271 1 193 . 1 1 19 19 THR HG21 H 1 1.041 0.004 . 9 . . . . 19 THR QG2 . 16271 1 194 . 1 1 19 19 THR HG22 H 1 1.041 0.004 . 9 . . . . 19 THR QG2 . 16271 1 195 . 1 1 19 19 THR HG23 H 1 1.041 0.004 . 9 . . . . 19 THR QG2 . 16271 1 196 . 1 1 19 19 THR CA C 13 61.081 0.090 . 9 . . . . 19 THR CA . 16271 1 197 . 1 1 19 19 THR CB C 13 71.721 0.059 . 9 . . . . 19 THR CB . 16271 1 198 . 1 1 19 19 THR CG2 C 13 20.487 0.172 . 9 . . . . 19 THR CG2 . 16271 1 199 . 1 1 19 19 THR N N 15 118.330 0.028 . 9 . . . . 19 THR N . 16271 1 200 . 1 1 20 20 VAL H H 1 8.770 0.003 . 9 . . . . 20 VAL H . 16271 1 201 . 1 1 20 20 VAL HA H 1 4.495 0.003 . 9 . . . . 20 VAL HA . 16271 1 202 . 1 1 20 20 VAL HB H 1 1.747 0.004 . 9 . . . . 20 VAL HB . 16271 1 203 . 1 1 20 20 VAL HG11 H 1 0.356 0.004 . 9 . . . . 20 VAL QG1 . 16271 1 204 . 1 1 20 20 VAL HG12 H 1 0.356 0.004 . 9 . . . . 20 VAL QG1 . 16271 1 205 . 1 1 20 20 VAL HG13 H 1 0.356 0.004 . 9 . . . . 20 VAL QG1 . 16271 1 206 . 1 1 20 20 VAL HG21 H 1 0.306 0.002 . 9 . . . . 20 VAL QG2 . 16271 1 207 . 1 1 20 20 VAL HG22 H 1 0.306 0.002 . 9 . . . . 20 VAL QG2 . 16271 1 208 . 1 1 20 20 VAL HG23 H 1 0.306 0.002 . 9 . . . . 20 VAL QG2 . 16271 1 209 . 1 1 20 20 VAL CA C 13 59.598 0.154 . 9 . . . . 20 VAL CA . 16271 1 210 . 1 1 20 20 VAL CB C 13 35.448 0.050 . 9 . . . . 20 VAL CB . 16271 1 211 . 1 1 20 20 VAL CG1 C 13 20.313 0.060 . 9 . . . . 20 VAL CG1 . 16271 1 212 . 1 1 20 20 VAL CG2 C 13 21.812 0.062 . 9 . . . . 20 VAL CG2 . 16271 1 213 . 1 1 20 20 VAL N N 15 121.390 0.034 . 9 . . . . 20 VAL N . 16271 1 214 . 1 1 21 21 GLU H H 1 8.147 0.009 . 9 . . . . 21 GLU H . 16271 1 215 . 1 1 21 21 GLU HA H 1 4.858 0.002 . 9 . . . . 21 GLU HA . 16271 1 216 . 1 1 21 21 GLU HB2 H 1 2.167 0.001 . 9 . . . . 21 GLU HB2 . 16271 1 217 . 1 1 21 21 GLU HB3 H 1 1.888 0.003 . 9 . . . . 21 GLU HB3 . 16271 1 218 . 1 1 21 21 GLU HG2 H 1 2.295 0.006 . 9 . . . . 21 GLU HG2 . 16271 1 219 . 1 1 21 21 GLU HG3 H 1 2.183 0.011 . 9 . . . . 21 GLU HG3 . 16271 1 220 . 1 1 21 21 GLU CA C 13 55.115 0.092 . 9 . . . . 21 GLU CA . 16271 1 221 . 1 1 21 21 GLU CB C 13 31.577 0.131 . 9 . . . . 21 GLU CB . 16271 1 222 . 1 1 21 21 GLU CG C 13 36.109 0.144 . 9 . . . . 21 GLU CG . 16271 1 223 . 1 1 21 21 GLU N N 15 122.494 0.054 . 9 . . . . 21 GLU N . 16271 1 224 . 1 1 22 22 GLY H H 1 8.585 0.002 . 9 . . . . 22 GLY H . 16271 1 225 . 1 1 22 22 GLY HA2 H 1 3.937 0.006 . 9 . . . . 22 GLY HA2 . 16271 1 226 . 1 1 22 22 GLY HA3 H 1 4.495 0.004 . 9 . . . . 22 GLY HA3 . 16271 1 227 . 1 1 22 22 GLY CA C 13 46.180 0.040 . 9 . . . . 22 GLY CA . 16271 1 228 . 1 1 22 22 GLY N N 15 107.556 0.033 . 9 . . . . 22 GLY N . 16271 1 229 . 1 1 23 23 MET H H 1 9.129 0.004 . 9 . . . . 23 MET H . 16271 1 230 . 1 1 23 23 MET HA H 1 5.351 0.007 . 9 . . . . 23 MET HA . 16271 1 231 . 1 1 23 23 MET HB2 H 1 1.588 0.006 . 9 . . . . 23 MET HB2 . 16271 1 232 . 1 1 23 23 MET HB3 H 1 1.942 0.006 . 9 . . . . 23 MET HB3 . 16271 1 233 . 1 1 23 23 MET HE1 H 1 2.000 0.000 . 9 . . . . 23 MET QE . 16271 1 234 . 1 1 23 23 MET HE2 H 1 2.000 0.000 . 9 . . . . 23 MET QE . 16271 1 235 . 1 1 23 23 MET HE3 H 1 2.000 0.000 . 9 . . . . 23 MET QE . 16271 1 236 . 1 1 23 23 MET HG2 H 1 2.554 0.027 . 9 . . . . 23 MET HG2 . 16271 1 237 . 1 1 23 23 MET HG3 H 1 2.453 0.005 . 9 . . . . 23 MET HG3 . 16271 1 238 . 1 1 23 23 MET CA C 13 53.678 0.034 . 9 . . . . 23 MET CA . 16271 1 239 . 1 1 23 23 MET CB C 13 36.556 0.064 . 9 . . . . 23 MET CB . 16271 1 240 . 1 1 23 23 MET CE C 13 18.270 0.000 . 9 . . . . 23 MET CE . 16271 1 241 . 1 1 23 23 MET CG C 13 32.435 0.051 . 9 . . . . 23 MET CG . 16271 1 242 . 1 1 23 23 MET N N 15 121.032 0.042 . 9 . . . . 23 MET N . 16271 1 243 . 1 1 24 24 GLU H H 1 9.942 0.012 . 9 . . . . 24 GLU H . 16271 1 244 . 1 1 24 24 GLU HA H 1 4.489 0.006 . 9 . . . . 24 GLU HA . 16271 1 245 . 1 1 24 24 GLU HB2 H 1 1.757 0.004 . 9 . . . . 24 GLU HB2 . 16271 1 246 . 1 1 24 24 GLU HB3 H 1 2.072 0.003 . 9 . . . . 24 GLU HB3 . 16271 1 247 . 1 1 24 24 GLU HG2 H 1 1.847 0.004 . 9 . . . . 24 GLU HG2 . 16271 1 248 . 1 1 24 24 GLU HG3 H 1 1.758 0.002 . 9 . . . . 24 GLU HG3 . 16271 1 249 . 1 1 24 24 GLU CA C 13 56.277 0.012 . 9 . . . . 24 GLU CA . 16271 1 250 . 1 1 24 24 GLU CB C 13 29.181 0.020 . 9 . . . . 24 GLU CB . 16271 1 251 . 1 1 24 24 GLU CG C 13 36.313 0.023 . 9 . . . . 24 GLU CG . 16271 1 252 . 1 1 24 24 GLU N N 15 125.797 0.027 . 9 . . . . 24 GLU N . 16271 1 253 . 1 1 25 25 MET H H 1 8.485 0.006 . 9 . . . . 25 MET H . 16271 1 254 . 1 1 25 25 MET HA H 1 4.655 0.010 . 9 . . . . 25 MET HA . 16271 1 255 . 1 1 25 25 MET HB2 H 1 2.009 0.022 . 9 . . . . 25 MET HB2 . 16271 1 256 . 1 1 25 25 MET HB3 H 1 1.812 0.000 . 9 . . . . 25 MET HB3 . 16271 1 257 . 1 1 25 25 MET HE1 H 1 1.856 0.001 . 9 . . . . 25 MET QE . 16271 1 258 . 1 1 25 25 MET HE2 H 1 1.856 0.001 . 9 . . . . 25 MET QE . 16271 1 259 . 1 1 25 25 MET HE3 H 1 1.856 0.001 . 9 . . . . 25 MET QE . 16271 1 260 . 1 1 25 25 MET HG2 H 1 2.052 0.004 . 9 . . . . 25 MET HG2 . 16271 1 261 . 1 1 25 25 MET HG3 H 1 2.265 0.005 . 9 . . . . 25 MET HG3 . 16271 1 262 . 1 1 25 25 MET CA C 13 55.004 0.085 . 9 . . . . 25 MET CA . 16271 1 263 . 1 1 25 25 MET CB C 13 33.381 0.056 . 9 . . . . 25 MET CB . 16271 1 264 . 1 1 25 25 MET CE C 13 17.080 0.045 . 9 . . . . 25 MET CE . 16271 1 265 . 1 1 25 25 MET CG C 13 31.518 0.045 . 9 . . . . 25 MET CG . 16271 1 266 . 1 1 25 25 MET N N 15 125.891 0.028 . 9 . . . . 25 MET N . 16271 1 267 . 1 1 26 26 LYS H H 1 8.231 0.005 . 9 . . . . 26 LYS H . 16271 1 268 . 1 1 26 26 LYS HA H 1 4.589 0.005 . 9 . . . . 26 LYS HA . 16271 1 269 . 1 1 26 26 LYS HB2 H 1 1.689 0.006 . 9 . . . . 26 LYS HB2 . 16271 1 270 . 1 1 26 26 LYS HB3 H 1 1.516 0.003 . 9 . . . . 26 LYS HB3 . 16271 1 271 . 1 1 26 26 LYS HD2 H 1 1.543 0.005 . 9 . . . . 26 LYS QD . 16271 1 272 . 1 1 26 26 LYS HD3 H 1 1.543 0.005 . 9 . . . . 26 LYS QD . 16271 1 273 . 1 1 26 26 LYS HE2 H 1 2.792 0.025 . 9 . . . . 26 LYS HE2 . 16271 1 274 . 1 1 26 26 LYS HE3 H 1 2.729 0.006 . 9 . . . . 26 LYS HE3 . 16271 1 275 . 1 1 26 26 LYS HG2 H 1 1.196 0.003 . 9 . . . . 26 LYS QG . 16271 1 276 . 1 1 26 26 LYS HG3 H 1 1.196 0.003 . 9 . . . . 26 LYS QG . 16271 1 277 . 1 1 26 26 LYS CA C 13 54.318 0.072 . 9 . . . . 26 LYS CA . 16271 1 278 . 1 1 26 26 LYS CB C 13 32.857 0.032 . 9 . . . . 26 LYS CB . 16271 1 279 . 1 1 26 26 LYS CD C 13 29.331 0.036 . 9 . . . . 26 LYS CD . 16271 1 280 . 1 1 26 26 LYS CE C 13 41.875 0.014 . 9 . . . . 26 LYS CE . 16271 1 281 . 1 1 26 26 LYS CG C 13 24.643 0.049 . 9 . . . . 26 LYS CG . 16271 1 282 . 1 1 26 26 LYS N N 15 128.274 0.083 . 9 . . . . 26 LYS N . 16271 1 283 . 1 1 27 27 GLY H H 1 8.774 0.005 . 9 . . . . 27 GLY H . 16271 1 284 . 1 1 27 27 GLY HA2 H 1 4.202 0.003 . 9 . . . . 27 GLY HA2 . 16271 1 285 . 1 1 27 27 GLY HA3 H 1 3.535 0.006 . 9 . . . . 27 GLY HA3 . 16271 1 286 . 1 1 27 27 GLY CA C 13 45.058 0.014 . 9 . . . . 27 GLY CA . 16271 1 287 . 1 1 27 27 GLY N N 15 118.123 0.078 . 9 . . . . 27 GLY N . 16271 1 288 . 1 1 28 28 PRO HA H 1 4.540 0.007 . 9 . . . . 28 PRO HA . 16271 1 289 . 1 1 28 28 PRO HB2 H 1 2.206 0.007 . 9 . . . . 28 PRO HB2 . 16271 1 290 . 1 1 28 28 PRO HB3 H 1 2.033 0.006 . 9 . . . . 28 PRO HB3 . 16271 1 291 . 1 1 28 28 PRO HD2 H 1 3.713 0.006 . 9 . . . . 28 PRO HD2 . 16271 1 292 . 1 1 28 28 PRO HD3 H 1 3.960 0.009 . 9 . . . . 28 PRO HD3 . 16271 1 293 . 1 1 28 28 PRO HG2 H 1 1.875 0.005 . 9 . . . . 28 PRO HG2 . 16271 1 294 . 1 1 28 28 PRO HG3 H 1 2.047 0.006 . 9 . . . . 28 PRO HG3 . 16271 1 295 . 1 1 28 28 PRO CA C 13 63.532 0.033 . 9 . . . . 28 PRO CA . 16271 1 296 . 1 1 28 28 PRO CB C 13 32.334 0.087 . 9 . . . . 28 PRO CB . 16271 1 297 . 1 1 28 28 PRO CD C 13 50.382 0.089 . 9 . . . . 28 PRO CD . 16271 1 298 . 1 1 28 28 PRO CG C 13 26.190 0.039 . 9 . . . . 28 PRO CG . 16271 1 299 . 1 1 29 29 LEU H H 1 7.613 0.004 . 9 . . . . 29 LEU H . 16271 1 300 . 1 1 29 29 LEU HA H 1 4.420 0.005 . 9 . . . . 29 LEU HA . 16271 1 301 . 1 1 29 29 LEU HB2 H 1 1.903 0.003 . 9 . . . . 29 LEU HB2 . 16271 1 302 . 1 1 29 29 LEU HB3 H 1 1.568 0.003 . 9 . . . . 29 LEU HB3 . 16271 1 303 . 1 1 29 29 LEU HD11 H 1 0.928 0.002 . 9 . . . . 29 LEU QD1 . 16271 1 304 . 1 1 29 29 LEU HD12 H 1 0.928 0.002 . 9 . . . . 29 LEU QD1 . 16271 1 305 . 1 1 29 29 LEU HD13 H 1 0.928 0.002 . 9 . . . . 29 LEU QD1 . 16271 1 306 . 1 1 29 29 LEU HD21 H 1 0.847 0.003 . 9 . . . . 29 LEU QD2 . 16271 1 307 . 1 1 29 29 LEU HD22 H 1 0.847 0.003 . 9 . . . . 29 LEU QD2 . 16271 1 308 . 1 1 29 29 LEU HD23 H 1 0.847 0.003 . 9 . . . . 29 LEU QD2 . 16271 1 309 . 1 1 29 29 LEU HG H 1 1.600 0.004 . 9 . . . . 29 LEU HG . 16271 1 310 . 1 1 29 29 LEU CA C 13 54.558 0.049 . 9 . . . . 29 LEU CA . 16271 1 311 . 1 1 29 29 LEU CB C 13 42.787 0.071 . 9 . . . . 29 LEU CB . 16271 1 312 . 1 1 29 29 LEU CD1 C 13 25.017 0.030 . 9 . . . . 29 LEU CD1 . 16271 1 313 . 1 1 29 29 LEU CD2 C 13 22.757 0.017 . 9 . . . . 29 LEU CD2 . 16271 1 314 . 1 1 29 29 LEU CG C 13 27.300 0.000 . 9 . . . . 29 LEU CG . 16271 1 315 . 1 1 29 29 LEU N N 15 120.716 0.028 . 9 . . . . 29 LEU N . 16271 1 316 . 1 1 30 30 ARG H H 1 8.487 0.004 . 9 . . . . 30 ARG H . 16271 1 317 . 1 1 30 30 ARG HA H 1 5.127 0.007 . 9 . . . . 30 ARG HA . 16271 1 318 . 1 1 30 30 ARG HB2 H 1 1.558 0.005 . 9 . . . . 30 ARG HB2 . 16271 1 319 . 1 1 30 30 ARG HB3 H 1 1.743 0.004 . 9 . . . . 30 ARG HB3 . 16271 1 320 . 1 1 30 30 ARG HD2 H 1 3.016 0.008 . 9 . . . . 30 ARG HD2 . 16271 1 321 . 1 1 30 30 ARG HD3 H 1 3.100 0.009 . 9 . . . . 30 ARG HD3 . 16271 1 322 . 1 1 30 30 ARG HG2 H 1 1.415 0.003 . 9 . . . . 30 ARG HG2 . 16271 1 323 . 1 1 30 30 ARG HG3 H 1 1.619 0.009 . 9 . . . . 30 ARG HG3 . 16271 1 324 . 1 1 30 30 ARG CA C 13 53.833 0.025 . 9 . . . . 30 ARG CA . 16271 1 325 . 1 1 30 30 ARG CB C 13 32.494 0.036 . 9 . . . . 30 ARG CB . 16271 1 326 . 1 1 30 30 ARG CD C 13 43.306 0.026 . 9 . . . . 30 ARG CD . 16271 1 327 . 1 1 30 30 ARG CG C 13 27.001 0.057 . 9 . . . . 30 ARG CG . 16271 1 328 . 1 1 30 30 ARG N N 15 123.346 0.028 . 9 . . . . 30 ARG N . 16271 1 329 . 1 1 31 31 GLU H H 1 8.743 0.006 . 9 . . . . 31 GLU H . 16271 1 330 . 1 1 31 31 GLU HA H 1 5.112 0.004 . 9 . . . . 31 GLU HA . 16271 1 331 . 1 1 31 31 GLU HB2 H 1 1.815 0.007 . 9 . . . . 31 GLU HB2 . 16271 1 332 . 1 1 31 31 GLU HB3 H 1 2.053 0.005 . 9 . . . . 31 GLU HB3 . 16271 1 333 . 1 1 31 31 GLU HG2 H 1 2.154 0.001 . 9 . . . . 31 GLU QG . 16271 1 334 . 1 1 31 31 GLU HG3 H 1 2.154 0.001 . 9 . . . . 31 GLU QG . 16271 1 335 . 1 1 31 31 GLU CA C 13 52.706 0.012 . 9 . . . . 31 GLU CA . 16271 1 336 . 1 1 31 31 GLU CB C 13 32.428 0.027 . 9 . . . . 31 GLU CB . 16271 1 337 . 1 1 31 31 GLU CG C 13 35.672 0.028 . 9 . . . . 31 GLU CG . 16271 1 338 . 1 1 31 31 GLU N N 15 123.481 0.028 . 9 . . . . 31 GLU N . 16271 1 339 . 1 1 32 32 PRO HA H 1 5.049 0.006 . 9 . . . . 32 PRO HA . 16271 1 340 . 1 1 32 32 PRO HB2 H 1 2.488 0.007 . 9 . . . . 32 PRO HB2 . 16271 1 341 . 1 1 32 32 PRO HB3 H 1 2.041 0.003 . 9 . . . . 32 PRO HB3 . 16271 1 342 . 1 1 32 32 PRO HD2 H 1 3.954 0.005 . 9 . . . . 32 PRO QD . 16271 1 343 . 1 1 32 32 PRO HD3 H 1 3.954 0.005 . 9 . . . . 32 PRO QD . 16271 1 344 . 1 1 32 32 PRO HG2 H 1 2.260 0.004 . 9 . . . . 32 PRO HG2 . 16271 1 345 . 1 1 32 32 PRO HG3 H 1 2.014 0.007 . 9 . . . . 32 PRO HG3 . 16271 1 346 . 1 1 32 32 PRO CA C 13 63.888 0.040 . 9 . . . . 32 PRO CA . 16271 1 347 . 1 1 32 32 PRO CB C 13 32.810 0.106 . 9 . . . . 32 PRO CB . 16271 1 348 . 1 1 32 32 PRO CD C 13 51.339 0.029 . 9 . . . . 32 PRO CD . 16271 1 349 . 1 1 32 32 PRO CG C 13 28.011 0.045 . 9 . . . . 32 PRO CG . 16271 1 350 . 1 1 33 33 CYS H H 1 8.962 0.012 . 9 . . . . 33 CYS H . 16271 1 351 . 1 1 33 33 CYS HA H 1 5.142 0.008 . 9 . . . . 33 CYS HA . 16271 1 352 . 1 1 33 33 CYS HB2 H 1 2.703 0.011 . 9 . . . . 33 CYS HB2 . 16271 1 353 . 1 1 33 33 CYS HB3 H 1 2.910 0.003 . 9 . . . . 33 CYS HB3 . 16271 1 354 . 1 1 33 33 CYS CA C 13 56.019 0.081 . 9 . . . . 33 CYS CA . 16271 1 355 . 1 1 33 33 CYS CB C 13 32.292 0.058 . 9 . . . . 33 CYS CB . 16271 1 356 . 1 1 33 33 CYS N N 15 118.464 0.055 . 9 . . . . 33 CYS N . 16271 1 357 . 1 1 34 34 ALA H H 1 8.485 0.007 . 9 . . . . 34 ALA H . 16271 1 358 . 1 1 34 34 ALA HA H 1 5.030 0.006 . 9 . . . . 34 ALA HA . 16271 1 359 . 1 1 34 34 ALA HB1 H 1 1.260 0.003 . 9 . . . . 34 ALA QB . 16271 1 360 . 1 1 34 34 ALA HB2 H 1 1.260 0.003 . 9 . . . . 34 ALA QB . 16271 1 361 . 1 1 34 34 ALA HB3 H 1 1.260 0.003 . 9 . . . . 34 ALA QB . 16271 1 362 . 1 1 34 34 ALA CA C 13 50.837 0.043 . 9 . . . . 34 ALA CA . 16271 1 363 . 1 1 34 34 ALA CB C 13 21.705 0.063 . 9 . . . . 34 ALA CB . 16271 1 364 . 1 1 34 34 ALA N N 15 121.415 0.027 . 9 . . . . 34 ALA N . 16271 1 365 . 1 1 35 35 LEU H H 1 8.734 0.004 . 9 . . . . 35 LEU H . 16271 1 366 . 1 1 35 35 LEU HA H 1 4.945 0.009 . 9 . . . . 35 LEU HA . 16271 1 367 . 1 1 35 35 LEU HB2 H 1 1.063 0.007 . 9 . . . . 35 LEU HB2 . 16271 1 368 . 1 1 35 35 LEU HB3 H 1 0.902 0.005 . 9 . . . . 35 LEU HB3 . 16271 1 369 . 1 1 35 35 LEU HD11 H 1 0.019 0.005 . 9 . . . . 35 LEU QD1 . 16271 1 370 . 1 1 35 35 LEU HD12 H 1 0.019 0.005 . 9 . . . . 35 LEU QD1 . 16271 1 371 . 1 1 35 35 LEU HD13 H 1 0.019 0.005 . 9 . . . . 35 LEU QD1 . 16271 1 372 . 1 1 35 35 LEU HD21 H 1 -0.177 0.008 . 9 . . . . 35 LEU QD2 . 16271 1 373 . 1 1 35 35 LEU HD22 H 1 -0.177 0.008 . 9 . . . . 35 LEU QD2 . 16271 1 374 . 1 1 35 35 LEU HD23 H 1 -0.177 0.008 . 9 . . . . 35 LEU QD2 . 16271 1 375 . 1 1 35 35 LEU HG H 1 0.931 0.005 . 9 . . . . 35 LEU HG . 16271 1 376 . 1 1 35 35 LEU CA C 13 54.210 0.033 . 9 . . . . 35 LEU CA . 16271 1 377 . 1 1 35 35 LEU CB C 13 43.796 0.075 . 9 . . . . 35 LEU CB . 16271 1 378 . 1 1 35 35 LEU CD1 C 13 24.736 0.041 . 9 . . . . 35 LEU CD1 . 16271 1 379 . 1 1 35 35 LEU CD2 C 13 25.185 0.038 . 9 . . . . 35 LEU CD2 . 16271 1 380 . 1 1 35 35 LEU CG C 13 27.951 0.055 . 9 . . . . 35 LEU CG . 16271 1 381 . 1 1 35 35 LEU N N 15 122.352 0.043 . 9 . . . . 35 LEU N . 16271 1 382 . 1 1 36 36 THR H H 1 9.087 0.006 . 9 . . . . 36 THR H . 16271 1 383 . 1 1 36 36 THR HA H 1 5.372 0.006 . 9 . . . . 36 THR HA . 16271 1 384 . 1 1 36 36 THR HB H 1 3.817 0.004 . 9 . . . . 36 THR HB . 16271 1 385 . 1 1 36 36 THR HG21 H 1 1.106 0.009 . 9 . . . . 36 THR QG2 . 16271 1 386 . 1 1 36 36 THR HG22 H 1 1.106 0.009 . 9 . . . . 36 THR QG2 . 16271 1 387 . 1 1 36 36 THR HG23 H 1 1.106 0.009 . 9 . . . . 36 THR QG2 . 16271 1 388 . 1 1 36 36 THR CA C 13 61.501 0.099 . 9 . . . . 36 THR CA . 16271 1 389 . 1 1 36 36 THR CB C 13 72.170 0.035 . 9 . . . . 36 THR CB . 16271 1 390 . 1 1 36 36 THR CG2 C 13 21.167 0.068 . 9 . . . . 36 THR CG2 . 16271 1 391 . 1 1 36 36 THR N N 15 117.822 0.023 . 9 . . . . 36 THR N . 16271 1 392 . 1 1 37 37 LEU H H 1 9.230 0.009 . 9 . . . . 37 LEU H . 16271 1 393 . 1 1 37 37 LEU HA H 1 4.993 0.008 . 9 . . . . 37 LEU HA . 16271 1 394 . 1 1 37 37 LEU HB2 H 1 1.775 0.007 . 9 . . . . 37 LEU HB2 . 16271 1 395 . 1 1 37 37 LEU HB3 H 1 1.025 0.004 . 9 . . . . 37 LEU HB3 . 16271 1 396 . 1 1 37 37 LEU HD11 H 1 0.655 0.005 . 9 . . . . 37 LEU QD1 . 16271 1 397 . 1 1 37 37 LEU HD12 H 1 0.655 0.005 . 9 . . . . 37 LEU QD1 . 16271 1 398 . 1 1 37 37 LEU HD13 H 1 0.655 0.005 . 9 . . . . 37 LEU QD1 . 16271 1 399 . 1 1 37 37 LEU HD21 H 1 0.501 0.004 . 9 . . . . 37 LEU QD2 . 16271 1 400 . 1 1 37 37 LEU HD22 H 1 0.501 0.004 . 9 . . . . 37 LEU QD2 . 16271 1 401 . 1 1 37 37 LEU HD23 H 1 0.501 0.004 . 9 . . . . 37 LEU QD2 . 16271 1 402 . 1 1 37 37 LEU HG H 1 1.374 0.005 . 9 . . . . 37 LEU HG . 16271 1 403 . 1 1 37 37 LEU CA C 13 53.638 0.045 . 9 . . . . 37 LEU CA . 16271 1 404 . 1 1 37 37 LEU CB C 13 43.354 0.061 . 9 . . . . 37 LEU CB . 16271 1 405 . 1 1 37 37 LEU CD1 C 13 23.621 0.017 . 9 . . . . 37 LEU CD1 . 16271 1 406 . 1 1 37 37 LEU CD2 C 13 26.503 0.030 . 9 . . . . 37 LEU CD2 . 16271 1 407 . 1 1 37 37 LEU CG C 13 27.607 0.035 . 9 . . . . 37 LEU CG . 16271 1 408 . 1 1 37 37 LEU N N 15 129.377 0.028 . 9 . . . . 37 LEU N . 16271 1 409 . 1 1 38 38 ALA H H 1 9.570 0.006 . 9 . . . . 38 ALA H . 16271 1 410 . 1 1 38 38 ALA HA H 1 5.310 0.006 . 9 . . . . 38 ALA HA . 16271 1 411 . 1 1 38 38 ALA HB1 H 1 1.092 0.003 . 9 . . . . 38 ALA QB . 16271 1 412 . 1 1 38 38 ALA HB2 H 1 1.092 0.003 . 9 . . . . 38 ALA QB . 16271 1 413 . 1 1 38 38 ALA HB3 H 1 1.092 0.003 . 9 . . . . 38 ALA QB . 16271 1 414 . 1 1 38 38 ALA CA C 13 50.209 0.017 . 9 . . . . 38 ALA CA . 16271 1 415 . 1 1 38 38 ALA CB C 13 24.067 0.031 . 9 . . . . 38 ALA CB . 16271 1 416 . 1 1 38 38 ALA N N 15 131.095 0.034 . 9 . . . . 38 ALA N . 16271 1 417 . 1 1 39 39 GLN H H 1 8.319 0.006 . 9 . . . . 39 GLN H . 16271 1 418 . 1 1 39 39 GLN HA H 1 4.962 0.004 . 9 . . . . 39 GLN HA . 16271 1 419 . 1 1 39 39 GLN HB2 H 1 1.531 0.005 . 9 . . . . 39 GLN HB2 . 16271 1 420 . 1 1 39 39 GLN HB3 H 1 1.825 0.007 . 9 . . . . 39 GLN HB3 . 16271 1 421 . 1 1 39 39 GLN HE21 H 1 6.276 0.003 . 9 . . . . 39 GLN HE21 . 16271 1 422 . 1 1 39 39 GLN HE22 H 1 6.569 0.044 . 9 . . . . 39 GLN HE22 . 16271 1 423 . 1 1 39 39 GLN HG2 H 1 1.531 0.006 . 9 . . . . 39 GLN HG2 . 16271 1 424 . 1 1 39 39 GLN HG3 H 1 1.698 0.006 . 9 . . . . 39 GLN HG3 . 16271 1 425 . 1 1 39 39 GLN CA C 13 54.036 0.024 . 9 . . . . 39 GLN CA . 16271 1 426 . 1 1 39 39 GLN CB C 13 31.835 0.043 . 9 . . . . 39 GLN CB . 16271 1 427 . 1 1 39 39 GLN CG C 13 33.840 0.040 . 9 . . . . 39 GLN CG . 16271 1 428 . 1 1 39 39 GLN N N 15 118.695 0.020 . 9 . . . . 39 GLN N . 16271 1 429 . 1 1 39 39 GLN NE2 N 15 109.456 0.052 . 9 . . . . 39 GLN NE2 . 16271 1 430 . 1 1 40 40 ARG H H 1 8.951 0.007 . 9 . . . . 40 ARG H . 16271 1 431 . 1 1 40 40 ARG HA H 1 4.388 0.006 . 9 . . . . 40 ARG HA . 16271 1 432 . 1 1 40 40 ARG HB2 H 1 1.636 0.006 . 9 . . . . 40 ARG HB2 . 16271 1 433 . 1 1 40 40 ARG HB3 H 1 1.229 0.008 . 9 . . . . 40 ARG HB3 . 16271 1 434 . 1 1 40 40 ARG HD2 H 1 3.250 0.004 . 9 . . . . 40 ARG HD2 . 16271 1 435 . 1 1 40 40 ARG HD3 H 1 2.638 0.006 . 9 . . . . 40 ARG HD3 . 16271 1 436 . 1 1 40 40 ARG HE H 1 9.581 0.003 . 9 . . . . 40 ARG HE . 16271 1 437 . 1 1 40 40 ARG HG2 H 1 1.219 0.008 . 9 . . . . 40 ARG HG2 . 16271 1 438 . 1 1 40 40 ARG HG3 H 1 1.113 0.010 . 9 . . . . 40 ARG HG3 . 16271 1 439 . 1 1 40 40 ARG CA C 13 56.180 0.003 . 9 . . . . 40 ARG CA . 16271 1 440 . 1 1 40 40 ARG CB C 13 33.826 0.029 . 9 . . . . 40 ARG CB . 16271 1 441 . 1 1 40 40 ARG CD C 13 43.483 0.045 . 9 . . . . 40 ARG CD . 16271 1 442 . 1 1 40 40 ARG CG C 13 27.534 0.065 . 9 . . . . 40 ARG CG . 16271 1 443 . 1 1 40 40 ARG N N 15 126.821 0.037 . 9 . . . . 40 ARG N . 16271 1 444 . 1 1 40 40 ARG NE N 15 119.278 0.000 . 9 . . . . 40 ARG NE . 16271 1 445 . 1 1 41 41 ASN H H 1 9.638 0.007 . 9 . . . . 41 ASN H . 16271 1 446 . 1 1 41 41 ASN HA H 1 4.299 0.005 . 9 . . . . 41 ASN HA . 16271 1 447 . 1 1 41 41 ASN HB2 H 1 2.719 0.003 . 9 . . . . 41 ASN HB2 . 16271 1 448 . 1 1 41 41 ASN HB3 H 1 2.976 0.002 . 9 . . . . 41 ASN HB3 . 16271 1 449 . 1 1 41 41 ASN HD21 H 1 6.813 0.006 . 9 . . . . 41 ASN HD21 . 16271 1 450 . 1 1 41 41 ASN HD22 H 1 7.703 0.003 . 9 . . . . 41 ASN HD22 . 16271 1 451 . 1 1 41 41 ASN CA C 13 54.361 0.058 . 9 . . . . 41 ASN CA . 16271 1 452 . 1 1 41 41 ASN CB C 13 37.194 0.040 . 9 . . . . 41 ASN CB . 16271 1 453 . 1 1 41 41 ASN N N 15 126.842 0.034 . 9 . . . . 41 ASN N . 16271 1 454 . 1 1 41 41 ASN ND2 N 15 113.060 0.248 . 9 . . . . 41 ASN ND2 . 16271 1 455 . 1 1 42 42 GLY H H 1 8.726 0.009 . 9 . . . . 42 GLY H . 16271 1 456 . 1 1 42 42 GLY HA2 H 1 4.028 0.008 . 9 . . . . 42 GLY HA2 . 16271 1 457 . 1 1 42 42 GLY HA3 H 1 3.391 0.004 . 9 . . . . 42 GLY HA3 . 16271 1 458 . 1 1 42 42 GLY CA C 13 45.397 0.036 . 9 . . . . 42 GLY CA . 16271 1 459 . 1 1 42 42 GLY N N 15 103.853 0.038 . 9 . . . . 42 GLY N . 16271 1 460 . 1 1 43 43 GLN H H 1 7.547 0.008 . 9 . . . . 43 GLN H . 16271 1 461 . 1 1 43 43 GLN HA H 1 4.545 0.004 . 9 . . . . 43 GLN HA . 16271 1 462 . 1 1 43 43 GLN HB2 H 1 1.917 0.006 . 9 . . . . 43 GLN HB2 . 16271 1 463 . 1 1 43 43 GLN HB3 H 1 2.213 0.016 . 9 . . . . 43 GLN HB3 . 16271 1 464 . 1 1 43 43 GLN HE21 H 1 7.601 0.000 . 9 . . . . 43 GLN HE21 . 16271 1 465 . 1 1 43 43 GLN HE22 H 1 6.805 0.009 . 9 . . . . 43 GLN HE22 . 16271 1 466 . 1 1 43 43 GLN HG2 H 1 2.283 0.010 . 9 . . . . 43 GLN QG . 16271 1 467 . 1 1 43 43 GLN HG3 H 1 2.283 0.010 . 9 . . . . 43 GLN QG . 16271 1 468 . 1 1 43 43 GLN CA C 13 53.601 0.022 . 9 . . . . 43 GLN CA . 16271 1 469 . 1 1 43 43 GLN CB C 13 31.480 0.027 . 9 . . . . 43 GLN CB . 16271 1 470 . 1 1 43 43 GLN CG C 13 33.521 0.043 . 9 . . . . 43 GLN CG . 16271 1 471 . 1 1 43 43 GLN N N 15 119.239 0.025 . 9 . . . . 43 GLN N . 16271 1 472 . 1 1 43 43 GLN NE2 N 15 112.481 0.033 . 9 . . . . 43 GLN NE2 . 16271 1 473 . 1 1 44 44 TYR H H 1 9.093 0.016 . 9 . . . . 44 TYR H . 16271 1 474 . 1 1 44 44 TYR HA H 1 5.310 0.006 . 9 . . . . 44 TYR HA . 16271 1 475 . 1 1 44 44 TYR HB2 H 1 2.623 0.008 . 9 . . . . 44 TYR QB . 16271 1 476 . 1 1 44 44 TYR HB3 H 1 2.623 0.008 . 9 . . . . 44 TYR QB . 16271 1 477 . 1 1 44 44 TYR HD1 H 1 6.921 0.005 . 9 . . . . 44 TYR QD . 16271 1 478 . 1 1 44 44 TYR HD2 H 1 6.921 0.005 . 9 . . . . 44 TYR QD . 16271 1 479 . 1 1 44 44 TYR HE1 H 1 6.632 0.007 . 9 . . . . 44 TYR QE . 16271 1 480 . 1 1 44 44 TYR HE2 H 1 6.632 0.007 . 9 . . . . 44 TYR QE . 16271 1 481 . 1 1 44 44 TYR CA C 13 57.839 0.055 . 9 . . . . 44 TYR CA . 16271 1 482 . 1 1 44 44 TYR CB C 13 40.598 0.037 . 9 . . . . 44 TYR CB . 16271 1 483 . 1 1 44 44 TYR CD1 C 13 132.983 0.072 . 9 . . . . 44 TYR CD1 . 16271 1 484 . 1 1 44 44 TYR CE1 C 13 118.176 0.007 . 9 . . . . 44 TYR CE1 . 16271 1 485 . 1 1 44 44 TYR N N 15 121.010 0.061 . 9 . . . . 44 TYR N . 16271 1 486 . 1 1 45 45 GLU H H 1 9.155 0.003 . 9 . . . . 45 GLU H . 16271 1 487 . 1 1 45 45 GLU HA H 1 4.678 0.008 . 9 . . . . 45 GLU HA . 16271 1 488 . 1 1 45 45 GLU HB2 H 1 1.556 0.006 . 9 . . . . 45 GLU HB2 . 16271 1 489 . 1 1 45 45 GLU HB3 H 1 1.822 0.009 . 9 . . . . 45 GLU HB3 . 16271 1 490 . 1 1 45 45 GLU HG2 H 1 1.839 0.005 . 9 . . . . 45 GLU QG . 16271 1 491 . 1 1 45 45 GLU HG3 H 1 1.839 0.005 . 9 . . . . 45 GLU QG . 16271 1 492 . 1 1 45 45 GLU CA C 13 54.569 0.025 . 9 . . . . 45 GLU CA . 16271 1 493 . 1 1 45 45 GLU CB C 13 33.570 0.032 . 9 . . . . 45 GLU CB . 16271 1 494 . 1 1 45 45 GLU CG C 13 34.578 0.027 . 9 . . . . 45 GLU CG . 16271 1 495 . 1 1 45 45 GLU N N 15 119.701 0.035 . 9 . . . . 45 GLU N . 16271 1 496 . 1 1 46 46 LEU H H 1 9.019 0.009 . 9 . . . . 46 LEU H . 16271 1 497 . 1 1 46 46 LEU HA H 1 5.142 0.004 . 9 . . . . 46 LEU HA . 16271 1 498 . 1 1 46 46 LEU HB2 H 1 1.094 0.005 . 9 . . . . 46 LEU HB2 . 16271 1 499 . 1 1 46 46 LEU HB3 H 1 1.915 0.004 . 9 . . . . 46 LEU HB3 . 16271 1 500 . 1 1 46 46 LEU HD11 H 1 0.915 0.004 . 9 . . . . 46 LEU QD1 . 16271 1 501 . 1 1 46 46 LEU HD12 H 1 0.915 0.004 . 9 . . . . 46 LEU QD1 . 16271 1 502 . 1 1 46 46 LEU HD13 H 1 0.915 0.004 . 9 . . . . 46 LEU QD1 . 16271 1 503 . 1 1 46 46 LEU HD21 H 1 0.929 0.004 . 9 . . . . 46 LEU QD2 . 16271 1 504 . 1 1 46 46 LEU HD22 H 1 0.929 0.004 . 9 . . . . 46 LEU QD2 . 16271 1 505 . 1 1 46 46 LEU HD23 H 1 0.929 0.004 . 9 . . . . 46 LEU QD2 . 16271 1 506 . 1 1 46 46 LEU HG H 1 1.431 0.004 . 9 . . . . 46 LEU HG . 16271 1 507 . 1 1 46 46 LEU CA C 13 53.002 0.090 . 9 . . . . 46 LEU CA . 16271 1 508 . 1 1 46 46 LEU CB C 13 44.752 0.066 . 9 . . . . 46 LEU CB . 16271 1 509 . 1 1 46 46 LEU CD1 C 13 24.272 0.031 . 9 . . . . 46 LEU CD1 . 16271 1 510 . 1 1 46 46 LEU CD2 C 13 26.612 0.042 . 9 . . . . 46 LEU CD2 . 16271 1 511 . 1 1 46 46 LEU CG C 13 27.570 0.094 . 9 . . . . 46 LEU CG . 16271 1 512 . 1 1 46 46 LEU N N 15 122.715 0.024 . 9 . . . . 46 LEU N . 16271 1 513 . 1 1 47 47 ILE H H 1 9.563 0.006 . 9 . . . . 47 ILE H . 16271 1 514 . 1 1 47 47 ILE HA H 1 4.765 0.007 . 9 . . . . 47 ILE HA . 16271 1 515 . 1 1 47 47 ILE HB H 1 1.660 0.006 . 9 . . . . 47 ILE HB . 16271 1 516 . 1 1 47 47 ILE HD11 H 1 0.685 0.006 . 9 . . . . 47 ILE QD1 . 16271 1 517 . 1 1 47 47 ILE HD12 H 1 0.685 0.006 . 9 . . . . 47 ILE QD1 . 16271 1 518 . 1 1 47 47 ILE HD13 H 1 0.685 0.006 . 9 . . . . 47 ILE QD1 . 16271 1 519 . 1 1 47 47 ILE HG12 H 1 0.897 0.001 . 9 . . . . 47 ILE HG12 . 16271 1 520 . 1 1 47 47 ILE HG13 H 1 1.446 0.003 . 9 . . . . 47 ILE HG13 . 16271 1 521 . 1 1 47 47 ILE HG21 H 1 0.674 0.004 . 9 . . . . 47 ILE QG2 . 16271 1 522 . 1 1 47 47 ILE HG22 H 1 0.674 0.004 . 9 . . . . 47 ILE QG2 . 16271 1 523 . 1 1 47 47 ILE HG23 H 1 0.674 0.004 . 9 . . . . 47 ILE QG2 . 16271 1 524 . 1 1 47 47 ILE CA C 13 60.557 0.099 . 9 . . . . 47 ILE CA . 16271 1 525 . 1 1 47 47 ILE CB C 13 39.671 0.092 . 9 . . . . 47 ILE CB . 16271 1 526 . 1 1 47 47 ILE CD1 C 13 14.456 0.085 . 9 . . . . 47 ILE CD1 . 16271 1 527 . 1 1 47 47 ILE CG1 C 13 28.209 0.060 . 9 . . . . 47 ILE CG1 . 16271 1 528 . 1 1 47 47 ILE CG2 C 13 17.787 0.048 . 9 . . . . 47 ILE CG2 . 16271 1 529 . 1 1 47 47 ILE N N 15 126.751 0.035 . 9 . . . . 47 ILE N . 16271 1 530 . 1 1 48 48 ILE H H 1 9.148 0.008 . 9 . . . . 48 ILE H . 16271 1 531 . 1 1 48 48 ILE HA H 1 4.598 0.004 . 9 . . . . 48 ILE HA . 16271 1 532 . 1 1 48 48 ILE HB H 1 1.868 0.003 . 9 . . . . 48 ILE HB . 16271 1 533 . 1 1 48 48 ILE HD11 H 1 0.679 0.002 . 9 . . . . 48 ILE QD1 . 16271 1 534 . 1 1 48 48 ILE HD12 H 1 0.679 0.002 . 9 . . . . 48 ILE QD1 . 16271 1 535 . 1 1 48 48 ILE HD13 H 1 0.679 0.002 . 9 . . . . 48 ILE QD1 . 16271 1 536 . 1 1 48 48 ILE HG12 H 1 0.844 0.003 . 9 . . . . 48 ILE HG12 . 16271 1 537 . 1 1 48 48 ILE HG13 H 1 1.377 0.002 . 9 . . . . 48 ILE HG13 . 16271 1 538 . 1 1 48 48 ILE HG21 H 1 0.791 0.003 . 9 . . . . 48 ILE QG2 . 16271 1 539 . 1 1 48 48 ILE HG22 H 1 0.791 0.003 . 9 . . . . 48 ILE QG2 . 16271 1 540 . 1 1 48 48 ILE HG23 H 1 0.791 0.003 . 9 . . . . 48 ILE QG2 . 16271 1 541 . 1 1 48 48 ILE CA C 13 60.445 0.058 . 9 . . . . 48 ILE CA . 16271 1 542 . 1 1 48 48 ILE CB C 13 39.440 0.052 . 9 . . . . 48 ILE CB . 16271 1 543 . 1 1 48 48 ILE CD1 C 13 13.948 0.044 . 9 . . . . 48 ILE CD1 . 16271 1 544 . 1 1 48 48 ILE CG1 C 13 27.161 0.047 . 9 . . . . 48 ILE CG1 . 16271 1 545 . 1 1 48 48 ILE CG2 C 13 18.058 0.040 . 9 . . . . 48 ILE CG2 . 16271 1 546 . 1 1 48 48 ILE N N 15 128.456 0.053 . 9 . . . . 48 ILE N . 16271 1 547 . 1 1 49 49 GLN H H 1 8.873 0.004 . 9 . . . . 49 GLN H . 16271 1 548 . 1 1 49 49 GLN HA H 1 4.974 0.008 . 9 . . . . 49 GLN HA . 16271 1 549 . 1 1 49 49 GLN HB2 H 1 1.896 0.002 . 9 . . . . 49 GLN QB . 16271 1 550 . 1 1 49 49 GLN HB3 H 1 1.896 0.002 . 9 . . . . 49 GLN QB . 16271 1 551 . 1 1 49 49 GLN HE21 H 1 7.638 0.006 . 9 . . . . 49 GLN HE21 . 16271 1 552 . 1 1 49 49 GLN HE22 H 1 6.742 0.006 . 9 . . . . 49 GLN HE22 . 16271 1 553 . 1 1 49 49 GLN HG2 H 1 2.005 0.006 . 9 . . . . 49 GLN HG2 . 16271 1 554 . 1 1 49 49 GLN HG3 H 1 2.210 0.004 . 9 . . . . 49 GLN HG3 . 16271 1 555 . 1 1 49 49 GLN CA C 13 54.098 0.046 . 9 . . . . 49 GLN CA . 16271 1 556 . 1 1 49 49 GLN CB C 13 31.882 0.005 . 9 . . . . 49 GLN CB . 16271 1 557 . 1 1 49 49 GLN CG C 13 34.046 0.034 . 9 . . . . 49 GLN CG . 16271 1 558 . 1 1 49 49 GLN N N 15 127.024 0.037 . 9 . . . . 49 GLN N . 16271 1 559 . 1 1 49 49 GLN NE2 N 15 112.576 0.052 . 9 . . . . 49 GLN NE2 . 16271 1 560 . 1 1 50 50 LEU H H 1 8.794 0.005 . 9 . . . . 50 LEU H . 16271 1 561 . 1 1 50 50 LEU HA H 1 4.546 0.011 . 9 . . . . 50 LEU HA . 16271 1 562 . 1 1 50 50 LEU HB2 H 1 1.725 0.003 . 9 . . . . 50 LEU HB2 . 16271 1 563 . 1 1 50 50 LEU HB3 H 1 1.599 0.008 . 9 . . . . 50 LEU HB3 . 16271 1 564 . 1 1 50 50 LEU HD11 H 1 0.874 0.003 . 9 . . . . 50 LEU QD1 . 16271 1 565 . 1 1 50 50 LEU HD12 H 1 0.874 0.003 . 9 . . . . 50 LEU QD1 . 16271 1 566 . 1 1 50 50 LEU HD13 H 1 0.874 0.003 . 9 . . . . 50 LEU QD1 . 16271 1 567 . 1 1 50 50 LEU HD21 H 1 0.882 0.006 . 9 . . . . 50 LEU QD2 . 16271 1 568 . 1 1 50 50 LEU HD22 H 1 0.882 0.006 . 9 . . . . 50 LEU QD2 . 16271 1 569 . 1 1 50 50 LEU HD23 H 1 0.882 0.006 . 9 . . . . 50 LEU QD2 . 16271 1 570 . 1 1 50 50 LEU HG H 1 1.600 0.006 . 9 . . . . 50 LEU HG . 16271 1 571 . 1 1 50 50 LEU CA C 13 55.034 0.034 . 9 . . . . 50 LEU CA . 16271 1 572 . 1 1 50 50 LEU CB C 13 43.069 0.036 . 9 . . . . 50 LEU CB . 16271 1 573 . 1 1 50 50 LEU CD1 C 13 24.176 0.051 . 9 . . . . 50 LEU CD1 . 16271 1 574 . 1 1 50 50 LEU CD2 C 13 25.150 0.038 . 9 . . . . 50 LEU CD2 . 16271 1 575 . 1 1 50 50 LEU CG C 13 28.065 0.058 . 9 . . . . 50 LEU CG . 16271 1 576 . 1 1 50 50 LEU N N 15 127.206 0.024 . 9 . . . . 50 LEU N . 16271 1 577 . 1 1 51 51 HIS H H 1 8.312 0.005 . 9 . . . . 51 HIS H . 16271 1 578 . 1 1 51 51 HIS HA H 1 4.947 0.004 . 9 . . . . 51 HIS HA . 16271 1 579 . 1 1 51 51 HIS HB2 H 1 2.959 0.009 . 9 . . . . 51 HIS HB2 . 16271 1 580 . 1 1 51 51 HIS HB3 H 1 3.180 0.010 . 9 . . . . 51 HIS HB3 . 16271 1 581 . 1 1 51 51 HIS HD2 H 1 6.847 0.005 . 9 . . . . 51 HIS HD2 . 16271 1 582 . 1 1 51 51 HIS HE1 H 1 8.213 0.005 . 9 . . . . 51 HIS HE1 . 16271 1 583 . 1 1 51 51 HIS CA C 13 55.280 0.056 . 9 . . . . 51 HIS CA . 16271 1 584 . 1 1 51 51 HIS CB C 13 30.241 0.046 . 9 . . . . 51 HIS CB . 16271 1 585 . 1 1 51 51 HIS CD2 C 13 119.318 0.020 . 9 . . . . 51 HIS CD2 . 16271 1 586 . 1 1 51 51 HIS CE1 C 13 137.479 0.028 . 9 . . . . 51 HIS CE1 . 16271 1 587 . 1 1 51 51 HIS N N 15 121.293 0.032 . 9 . . . . 51 HIS N . 16271 1 588 . 1 1 52 52 GLU H H 1 8.540 0.004 . 9 . . . . 52 GLU H . 16271 1 589 . 1 1 52 52 GLU HA H 1 4.313 0.005 . 9 . . . . 52 GLU HA . 16271 1 590 . 1 1 52 52 GLU HB2 H 1 1.981 0.000 . 9 . . . . 52 GLU QB . 16271 1 591 . 1 1 52 52 GLU HB3 H 1 1.981 0.000 . 9 . . . . 52 GLU QB . 16271 1 592 . 1 1 52 52 GLU HG2 H 1 2.161 0.000 . 9 . . . . 52 GLU QG . 16271 1 593 . 1 1 52 52 GLU HG3 H 1 2.161 0.000 . 9 . . . . 52 GLU QG . 16271 1 594 . 1 1 52 52 GLU CA C 13 56.302 0.009 . 9 . . . . 52 GLU CA . 16271 1 595 . 1 1 52 52 GLU CB C 13 30.175 0.034 . 9 . . . . 52 GLU CB . 16271 1 596 . 1 1 52 52 GLU CG C 13 36.436 0.000 . 9 . . . . 52 GLU CG . 16271 1 597 . 1 1 52 52 GLU N N 15 120.311 0.049 . 9 . . . . 52 GLU N . 16271 1 598 . 1 1 53 53 LYS H H 1 8.234 0.004 . 9 . . . . 53 LYS H . 16271 1 599 . 1 1 53 53 LYS HA H 1 4.147 0.002 . 9 . . . . 53 LYS HA . 16271 1 600 . 1 1 53 53 LYS HB2 H 1 1.829 0.005 . 9 . . . . 53 LYS QB . 16271 1 601 . 1 1 53 53 LYS HB3 H 1 1.829 0.005 . 9 . . . . 53 LYS QB . 16271 1 602 . 1 1 53 53 LYS HD2 H 1 1.662 0.005 . 9 . . . . 53 LYS QD . 16271 1 603 . 1 1 53 53 LYS HD3 H 1 1.662 0.005 . 9 . . . . 53 LYS QD . 16271 1 604 . 1 1 53 53 LYS HE2 H 1 2.972 0.001 . 9 . . . . 53 LYS QE . 16271 1 605 . 1 1 53 53 LYS HE3 H 1 2.972 0.001 . 9 . . . . 53 LYS QE . 16271 1 606 . 1 1 53 53 LYS HG2 H 1 1.415 0.001 . 9 . . . . 53 LYS QG . 16271 1 607 . 1 1 53 53 LYS HG3 H 1 1.415 0.001 . 9 . . . . 53 LYS QG . 16271 1 608 . 1 1 53 53 LYS CA C 13 56.877 0.023 . 9 . . . . 53 LYS CA . 16271 1 609 . 1 1 53 53 LYS CB C 13 32.725 0.039 . 9 . . . . 53 LYS CB . 16271 1 610 . 1 1 53 53 LYS CD C 13 28.920 0.080 . 9 . . . . 53 LYS CD . 16271 1 611 . 1 1 53 53 LYS CE C 13 42.249 0.000 . 9 . . . . 53 LYS CE . 16271 1 612 . 1 1 53 53 LYS CG C 13 25.010 0.057 . 9 . . . . 53 LYS CG . 16271 1 613 . 1 1 53 53 LYS N N 15 120.916 0.021 . 9 . . . . 53 LYS N . 16271 1 614 . 1 1 54 54 GLU H H 1 8.465 0.002 . 9 . . . . 54 GLU H . 16271 1 615 . 1 1 54 54 GLU HA H 1 4.127 0.006 . 9 . . . . 54 GLU HA . 16271 1 616 . 1 1 54 54 GLU HB2 H 1 2.082 0.003 . 9 . . . . 54 GLU HB2 . 16271 1 617 . 1 1 54 54 GLU HB3 H 1 1.944 0.004 . 9 . . . . 54 GLU HB3 . 16271 1 618 . 1 1 54 54 GLU HG2 H 1 2.177 0.005 . 9 . . . . 54 GLU HG2 . 16271 1 619 . 1 1 54 54 GLU HG3 H 1 2.222 0.004 . 9 . . . . 54 GLU HG3 . 16271 1 620 . 1 1 54 54 GLU CA C 13 57.184 0.025 . 9 . . . . 54 GLU CA . 16271 1 621 . 1 1 54 54 GLU CB C 13 29.614 0.031 . 9 . . . . 54 GLU CB . 16271 1 622 . 1 1 54 54 GLU CG C 13 36.490 0.062 . 9 . . . . 54 GLU CG . 16271 1 623 . 1 1 54 54 GLU N N 15 117.859 0.052 . 9 . . . . 54 GLU N . 16271 1 624 . 1 1 55 55 GLN H H 1 7.997 0.005 . 9 . . . . 55 GLN H . 16271 1 625 . 1 1 55 55 GLN HA H 1 4.330 0.011 . 9 . . . . 55 GLN HA . 16271 1 626 . 1 1 55 55 GLN HB2 H 1 2.051 0.001 . 9 . . . . 55 GLN HB2 . 16271 1 627 . 1 1 55 55 GLN HB3 H 1 1.927 0.005 . 9 . . . . 55 GLN HB3 . 16271 1 628 . 1 1 55 55 GLN HE21 H 1 6.775 0.002 . 9 . . . . 55 GLN HE21 . 16271 1 629 . 1 1 55 55 GLN HE22 H 1 7.508 0.007 . 9 . . . . 55 GLN HE22 . 16271 1 630 . 1 1 55 55 GLN HG2 H 1 2.259 0.004 . 9 . . . . 55 GLN QG . 16271 1 631 . 1 1 55 55 GLN HG3 H 1 2.259 0.004 . 9 . . . . 55 GLN QG . 16271 1 632 . 1 1 55 55 GLN CA C 13 55.520 0.045 . 9 . . . . 55 GLN CA . 16271 1 633 . 1 1 55 55 GLN CB C 13 30.068 0.068 . 9 . . . . 55 GLN CB . 16271 1 634 . 1 1 55 55 GLN CG C 13 33.681 0.021 . 9 . . . . 55 GLN CG . 16271 1 635 . 1 1 55 55 GLN N N 15 118.109 0.025 . 9 . . . . 55 GLN N . 16271 1 636 . 1 1 55 55 GLN NE2 N 15 112.151 0.039 . 9 . . . . 55 GLN NE2 . 16271 1 637 . 1 1 56 56 HIS H H 1 8.491 0.007 . 9 . . . . 56 HIS H . 16271 1 638 . 1 1 56 56 HIS HA H 1 4.797 0.001 . 9 . . . . 56 HIS HA . 16271 1 639 . 1 1 56 56 HIS HB2 H 1 3.039 0.004 . 9 . . . . 56 HIS HB2 . 16271 1 640 . 1 1 56 56 HIS HB3 H 1 3.109 0.004 . 9 . . . . 56 HIS HB3 . 16271 1 641 . 1 1 56 56 HIS HD2 H 1 7.010 0.005 . 9 . . . . 56 HIS HD2 . 16271 1 642 . 1 1 56 56 HIS CA C 13 55.959 0.078 . 9 . . . . 56 HIS CA . 16271 1 643 . 1 1 56 56 HIS CB C 13 30.374 0.082 . 9 . . . . 56 HIS CB . 16271 1 644 . 1 1 56 56 HIS CD2 C 13 119.651 0.089 . 9 . . . . 56 HIS CD2 . 16271 1 645 . 1 1 56 56 HIS N N 15 120.426 0.099 . 9 . . . . 56 HIS N . 16271 1 646 . 1 1 57 57 VAL H H 1 8.258 0.008 . 9 . . . . 57 VAL H . 16271 1 647 . 1 1 57 57 VAL HA H 1 4.129 0.008 . 9 . . . . 57 VAL HA . 16271 1 648 . 1 1 57 57 VAL HB H 1 2.002 0.006 . 9 . . . . 57 VAL HB . 16271 1 649 . 1 1 57 57 VAL HG11 H 1 0.844 0.003 . 9 . . . . 57 VAL QG1 . 16271 1 650 . 1 1 57 57 VAL HG12 H 1 0.844 0.003 . 9 . . . . 57 VAL QG1 . 16271 1 651 . 1 1 57 57 VAL HG13 H 1 0.844 0.003 . 9 . . . . 57 VAL QG1 . 16271 1 652 . 1 1 57 57 VAL HG21 H 1 0.877 0.004 . 9 . . . . 57 VAL QG2 . 16271 1 653 . 1 1 57 57 VAL HG22 H 1 0.877 0.004 . 9 . . . . 57 VAL QG2 . 16271 1 654 . 1 1 57 57 VAL HG23 H 1 0.877 0.004 . 9 . . . . 57 VAL QG2 . 16271 1 655 . 1 1 57 57 VAL CA C 13 62.239 0.053 . 9 . . . . 57 VAL CA . 16271 1 656 . 1 1 57 57 VAL CB C 13 33.765 0.058 . 9 . . . . 57 VAL CB . 16271 1 657 . 1 1 57 57 VAL CG1 C 13 20.579 0.091 . 9 . . . . 57 VAL CG1 . 16271 1 658 . 1 1 57 57 VAL CG2 C 13 21.304 0.085 . 9 . . . . 57 VAL CG2 . 16271 1 659 . 1 1 57 57 VAL N N 15 122.212 0.028 . 9 . . . . 57 VAL N . 16271 1 660 . 1 1 58 58 GLN H H 1 8.513 0.005 . 9 . . . . 58 GLN H . 16271 1 661 . 1 1 58 58 GLN HA H 1 4.908 0.005 . 9 . . . . 58 GLN HA . 16271 1 662 . 1 1 58 58 GLN HB2 H 1 1.893 0.010 . 9 . . . . 58 GLN QB . 16271 1 663 . 1 1 58 58 GLN HB3 H 1 1.893 0.010 . 9 . . . . 58 GLN QB . 16271 1 664 . 1 1 58 58 GLN HE21 H 1 6.651 0.006 . 9 . . . . 58 GLN HE21 . 16271 1 665 . 1 1 58 58 GLN HE22 H 1 7.429 0.001 . 9 . . . . 58 GLN HE22 . 16271 1 666 . 1 1 58 58 GLN HG2 H 1 2.082 0.004 . 9 . . . . 58 GLN HG2 . 16271 1 667 . 1 1 58 58 GLN HG3 H 1 1.948 0.010 . 9 . . . . 58 GLN HG3 . 16271 1 668 . 1 1 58 58 GLN CA C 13 54.994 0.067 . 9 . . . . 58 GLN CA . 16271 1 669 . 1 1 58 58 GLN CB C 13 31.467 0.123 . 9 . . . . 58 GLN CB . 16271 1 670 . 1 1 58 58 GLN CG C 13 34.833 0.013 . 9 . . . . 58 GLN CG . 16271 1 671 . 1 1 58 58 GLN N N 15 124.879 0.050 . 9 . . . . 58 GLN N . 16271 1 672 . 1 1 58 58 GLN NE2 N 15 109.952 0.057 . 9 . . . . 58 GLN NE2 . 16271 1 673 . 1 1 59 59 ASP H H 1 8.683 0.008 . 9 . . . . 59 ASP H . 16271 1 674 . 1 1 59 59 ASP HA H 1 4.971 0.006 . 9 . . . . 59 ASP HA . 16271 1 675 . 1 1 59 59 ASP HB2 H 1 2.433 0.006 . 9 . . . . 59 ASP HB2 . 16271 1 676 . 1 1 59 59 ASP HB3 H 1 2.680 0.011 . 9 . . . . 59 ASP HB3 . 16271 1 677 . 1 1 59 59 ASP CA C 13 53.644 0.056 . 9 . . . . 59 ASP CA . 16271 1 678 . 1 1 59 59 ASP CB C 13 43.734 0.029 . 9 . . . . 59 ASP CB . 16271 1 679 . 1 1 59 59 ASP N N 15 124.794 0.030 . 9 . . . . 59 ASP N . 16271 1 680 . 1 1 60 60 ILE H H 1 8.297 0.006 . 9 . . . . 60 ILE H . 16271 1 681 . 1 1 60 60 ILE HA H 1 4.636 0.004 . 9 . . . . 60 ILE HA . 16271 1 682 . 1 1 60 60 ILE HB H 1 1.659 0.005 . 9 . . . . 60 ILE HB . 16271 1 683 . 1 1 60 60 ILE HD11 H 1 0.737 0.006 . 9 . . . . 60 ILE QD1 . 16271 1 684 . 1 1 60 60 ILE HD12 H 1 0.737 0.006 . 9 . . . . 60 ILE QD1 . 16271 1 685 . 1 1 60 60 ILE HD13 H 1 0.737 0.006 . 9 . . . . 60 ILE QD1 . 16271 1 686 . 1 1 60 60 ILE HG12 H 1 0.825 0.007 . 9 . . . . 60 ILE HG12 . 16271 1 687 . 1 1 60 60 ILE HG13 H 1 1.461 0.004 . 9 . . . . 60 ILE HG13 . 16271 1 688 . 1 1 60 60 ILE HG21 H 1 0.583 0.004 . 9 . . . . 60 ILE QG2 . 16271 1 689 . 1 1 60 60 ILE HG22 H 1 0.583 0.004 . 9 . . . . 60 ILE QG2 . 16271 1 690 . 1 1 60 60 ILE HG23 H 1 0.583 0.004 . 9 . . . . 60 ILE QG2 . 16271 1 691 . 1 1 60 60 ILE CA C 13 61.006 0.092 . 9 . . . . 60 ILE CA . 16271 1 692 . 1 1 60 60 ILE CB C 13 39.718 0.065 . 9 . . . . 60 ILE CB . 16271 1 693 . 1 1 60 60 ILE CD1 C 13 13.710 0.038 . 9 . . . . 60 ILE CD1 . 16271 1 694 . 1 1 60 60 ILE CG1 C 13 27.721 0.043 . 9 . . . . 60 ILE CG1 . 16271 1 695 . 1 1 60 60 ILE CG2 C 13 17.967 0.040 . 9 . . . . 60 ILE CG2 . 16271 1 696 . 1 1 60 60 ILE N N 15 121.515 0.032 . 9 . . . . 60 ILE N . 16271 1 697 . 1 1 61 61 ILE H H 1 9.531 0.003 . 9 . . . . 61 ILE H . 16271 1 698 . 1 1 61 61 ILE HA H 1 4.796 0.001 . 9 . . . . 61 ILE HA . 16271 1 699 . 1 1 61 61 ILE HB H 1 1.978 0.003 . 9 . . . . 61 ILE HB . 16271 1 700 . 1 1 61 61 ILE HD11 H 1 0.745 0.004 . 9 . . . . 61 ILE QD1 . 16271 1 701 . 1 1 61 61 ILE HD12 H 1 0.745 0.004 . 9 . . . . 61 ILE QD1 . 16271 1 702 . 1 1 61 61 ILE HD13 H 1 0.745 0.004 . 9 . . . . 61 ILE QD1 . 16271 1 703 . 1 1 61 61 ILE HG12 H 1 1.444 0.008 . 9 . . . . 61 ILE HG12 . 16271 1 704 . 1 1 61 61 ILE HG13 H 1 1.135 0.003 . 9 . . . . 61 ILE HG13 . 16271 1 705 . 1 1 61 61 ILE HG21 H 1 1.079 0.006 . 9 . . . . 61 ILE QG2 . 16271 1 706 . 1 1 61 61 ILE HG22 H 1 1.079 0.006 . 9 . . . . 61 ILE QG2 . 16271 1 707 . 1 1 61 61 ILE HG23 H 1 1.079 0.006 . 9 . . . . 61 ILE QG2 . 16271 1 708 . 1 1 61 61 ILE CA C 13 57.783 0.062 . 9 . . . . 61 ILE CA . 16271 1 709 . 1 1 61 61 ILE CB C 13 40.942 0.066 . 9 . . . . 61 ILE CB . 16271 1 710 . 1 1 61 61 ILE CD1 C 13 14.370 0.029 . 9 . . . . 61 ILE CD1 . 16271 1 711 . 1 1 61 61 ILE CG2 C 13 17.690 0.016 . 9 . . . . 61 ILE CG2 . 16271 1 712 . 1 1 61 61 ILE N N 15 129.728 0.050 . 9 . . . . 61 ILE N . 16271 1 713 . 1 1 62 62 PRO HA H 1 4.373 0.011 . 9 . . . . 62 PRO HA . 16271 1 714 . 1 1 62 62 PRO HB2 H 1 1.841 0.007 . 9 . . . . 62 PRO HB2 . 16271 1 715 . 1 1 62 62 PRO HB3 H 1 2.380 0.009 . 9 . . . . 62 PRO HB3 . 16271 1 716 . 1 1 62 62 PRO HD2 H 1 3.947 0.004 . 9 . . . . 62 PRO QD . 16271 1 717 . 1 1 62 62 PRO HD3 H 1 3.947 0.004 . 9 . . . . 62 PRO QD . 16271 1 718 . 1 1 62 62 PRO HG2 H 1 2.103 0.005 . 9 . . . . 62 PRO HG2 . 16271 1 719 . 1 1 62 62 PRO HG3 H 1 2.258 0.011 . 9 . . . . 62 PRO HG3 . 16271 1 720 . 1 1 62 62 PRO CA C 13 63.023 0.037 . 9 . . . . 62 PRO CA . 16271 1 721 . 1 1 62 62 PRO CB C 13 32.271 0.065 . 9 . . . . 62 PRO CB . 16271 1 722 . 1 1 62 62 PRO CD C 13 51.254 0.061 . 9 . . . . 62 PRO CD . 16271 1 723 . 1 1 62 62 PRO CG C 13 27.454 0.165 . 9 . . . . 62 PRO CG . 16271 1 724 . 1 1 63 63 ILE H H 1 8.010 0.005 . 9 . . . . 63 ILE H . 16271 1 725 . 1 1 63 63 ILE HA H 1 3.422 0.009 . 9 . . . . 63 ILE HA . 16271 1 726 . 1 1 63 63 ILE HB H 1 1.413 0.005 . 9 . . . . 63 ILE HB . 16271 1 727 . 1 1 63 63 ILE HD11 H 1 0.059 0.005 . 9 . . . . 63 ILE QD1 . 16271 1 728 . 1 1 63 63 ILE HD12 H 1 0.059 0.005 . 9 . . . . 63 ILE QD1 . 16271 1 729 . 1 1 63 63 ILE HD13 H 1 0.059 0.005 . 9 . . . . 63 ILE QD1 . 16271 1 730 . 1 1 63 63 ILE HG12 H 1 0.800 0.007 . 9 . . . . 63 ILE HG12 . 16271 1 731 . 1 1 63 63 ILE HG13 H 1 -0.881 0.009 . 9 . . . . 63 ILE HG13 . 16271 1 732 . 1 1 63 63 ILE HG21 H 1 0.373 0.004 . 9 . . . . 63 ILE QG2 . 16271 1 733 . 1 1 63 63 ILE HG22 H 1 0.373 0.004 . 9 . . . . 63 ILE QG2 . 16271 1 734 . 1 1 63 63 ILE HG23 H 1 0.373 0.004 . 9 . . . . 63 ILE QG2 . 16271 1 735 . 1 1 63 63 ILE CA C 13 61.447 0.087 . 9 . . . . 63 ILE CA . 16271 1 736 . 1 1 63 63 ILE CB C 13 35.064 0.095 . 9 . . . . 63 ILE CB . 16271 1 737 . 1 1 63 63 ILE CD1 C 13 13.246 0.017 . 9 . . . . 63 ILE CD1 . 16271 1 738 . 1 1 63 63 ILE CG1 C 13 26.214 0.081 . 9 . . . . 63 ILE CG1 . 16271 1 739 . 1 1 63 63 ILE CG2 C 13 16.078 0.048 . 9 . . . . 63 ILE CG2 . 16271 1 740 . 1 1 63 63 ILE N N 15 122.639 0.049 . 9 . . . . 63 ILE N . 16271 1 741 . 1 1 64 64 ASN H H 1 6.821 0.003 . 9 . . . . 64 ASN H . 16271 1 742 . 1 1 64 64 ASN HA H 1 4.954 0.004 . 9 . . . . 64 ASN HA . 16271 1 743 . 1 1 64 64 ASN HB2 H 1 3.013 0.005 . 9 . . . . 64 ASN HB2 . 16271 1 744 . 1 1 64 64 ASN HB3 H 1 3.448 0.006 . 9 . . . . 64 ASN HB3 . 16271 1 745 . 1 1 64 64 ASN HD21 H 1 7.664 0.010 . 9 . . . . 64 ASN HD21 . 16271 1 746 . 1 1 64 64 ASN HD22 H 1 7.989 0.007 . 9 . . . . 64 ASN HD22 . 16271 1 747 . 1 1 64 64 ASN CA C 13 51.257 0.043 . 9 . . . . 64 ASN CA . 16271 1 748 . 1 1 64 64 ASN CB C 13 38.979 0.009 . 9 . . . . 64 ASN CB . 16271 1 749 . 1 1 64 64 ASN N N 15 124.816 0.037 . 9 . . . . 64 ASN N . 16271 1 750 . 1 1 64 64 ASN ND2 N 15 115.035 0.053 . 9 . . . . 64 ASN ND2 . 16271 1 751 . 1 1 65 65 SER HA H 1 4.282 0.005 . 9 . . . . 65 SER HA . 16271 1 752 . 1 1 65 65 SER HB2 H 1 3.920 0.004 . 9 . . . . 65 SER QB . 16271 1 753 . 1 1 65 65 SER HB3 H 1 3.920 0.004 . 9 . . . . 65 SER QB . 16271 1 754 . 1 1 65 65 SER CA C 13 61.429 0.036 . 9 . . . . 65 SER CA . 16271 1 755 . 1 1 65 65 SER CB C 13 62.840 0.002 . 9 . . . . 65 SER CB . 16271 1 756 . 1 1 66 66 HIS H H 1 7.866 0.004 . 9 . . . . 66 HIS H . 16271 1 757 . 1 1 66 66 HIS HA H 1 4.769 0.002 . 9 . . . . 66 HIS HA . 16271 1 758 . 1 1 66 66 HIS HB2 H 1 3.236 0.006 . 9 . . . . 66 HIS HB2 . 16271 1 759 . 1 1 66 66 HIS HB3 H 1 3.010 0.003 . 9 . . . . 66 HIS HB3 . 16271 1 760 . 1 1 66 66 HIS HD2 H 1 7.003 0.003 . 9 . . . . 66 HIS HD2 . 16271 1 761 . 1 1 66 66 HIS HE1 H 1 8.093 0.006 . 9 . . . . 66 HIS HE1 . 16271 1 762 . 1 1 66 66 HIS CA C 13 54.237 0.040 . 9 . . . . 66 HIS CA . 16271 1 763 . 1 1 66 66 HIS CB C 13 29.577 0.092 . 9 . . . . 66 HIS CB . 16271 1 764 . 1 1 66 66 HIS CD2 C 13 119.053 0.031 . 9 . . . . 66 HIS CD2 . 16271 1 765 . 1 1 66 66 HIS CE1 C 13 138.137 0.062 . 9 . . . . 66 HIS CE1 . 16271 1 766 . 1 1 66 66 HIS N N 15 118.374 0.044 . 9 . . . . 66 HIS N . 16271 1 767 . 1 1 67 67 PHE H H 1 7.686 0.003 . 9 . . . . 67 PHE H . 16271 1 768 . 1 1 67 67 PHE HA H 1 5.023 0.007 . 9 . . . . 67 PHE HA . 16271 1 769 . 1 1 67 67 PHE HB2 H 1 3.325 0.005 . 9 . . . . 67 PHE HB2 . 16271 1 770 . 1 1 67 67 PHE HB3 H 1 3.449 0.003 . 9 . . . . 67 PHE HB3 . 16271 1 771 . 1 1 67 67 PHE HD1 H 1 7.115 0.005 . 9 . . . . 67 PHE QD . 16271 1 772 . 1 1 67 67 PHE HD2 H 1 7.115 0.005 . 9 . . . . 67 PHE QD . 16271 1 773 . 1 1 67 67 PHE HE1 H 1 6.918 0.003 . 9 . . . . 67 PHE QE . 16271 1 774 . 1 1 67 67 PHE HE2 H 1 6.918 0.003 . 9 . . . . 67 PHE QE . 16271 1 775 . 1 1 67 67 PHE HZ H 1 6.829 0.003 . 9 . . . . 67 PHE HZ . 16271 1 776 . 1 1 67 67 PHE CA C 13 58.010 0.062 . 9 . . . . 67 PHE CA . 16271 1 777 . 1 1 67 67 PHE CB C 13 41.013 0.042 . 9 . . . . 67 PHE CB . 16271 1 778 . 1 1 67 67 PHE CD1 C 13 133.071 0.028 . 9 . . . . 67 PHE CD1 . 16271 1 779 . 1 1 67 67 PHE CE1 C 13 130.810 0.073 . 9 . . . . 67 PHE CE1 . 16271 1 780 . 1 1 67 67 PHE CZ C 13 128.018 0.024 . 9 . . . . 67 PHE CZ . 16271 1 781 . 1 1 67 67 PHE N N 15 121.803 0.027 . 9 . . . . 67 PHE N . 16271 1 782 . 1 1 68 68 ARG H H 1 8.206 0.004 . 9 . . . . 68 ARG H . 16271 1 783 . 1 1 68 68 ARG HA H 1 4.331 0.009 . 9 . . . . 68 ARG HA . 16271 1 784 . 1 1 68 68 ARG HB2 H 1 1.490 0.005 . 9 . . . . 68 ARG QB . 16271 1 785 . 1 1 68 68 ARG HB3 H 1 1.490 0.005 . 9 . . . . 68 ARG QB . 16271 1 786 . 1 1 68 68 ARG HD2 H 1 3.148 0.006 . 9 . . . . 68 ARG HD2 . 16271 1 787 . 1 1 68 68 ARG HD3 H 1 2.999 0.008 . 9 . . . . 68 ARG HD3 . 16271 1 788 . 1 1 68 68 ARG HG2 H 1 1.414 0.004 . 9 . . . . 68 ARG QG . 16271 1 789 . 1 1 68 68 ARG HG3 H 1 1.414 0.004 . 9 . . . . 68 ARG QG . 16271 1 790 . 1 1 68 68 ARG CA C 13 54.592 0.012 . 9 . . . . 68 ARG CA . 16271 1 791 . 1 1 68 68 ARG CB C 13 34.246 0.029 . 9 . . . . 68 ARG CB . 16271 1 792 . 1 1 68 68 ARG CD C 13 43.264 0.043 . 9 . . . . 68 ARG CD . 16271 1 793 . 1 1 68 68 ARG CG C 13 26.854 0.084 . 9 . . . . 68 ARG CG . 16271 1 794 . 1 1 68 68 ARG N N 15 127.396 0.030 . 9 . . . . 68 ARG N . 16271 1 795 . 1 1 69 69 CYS H H 1 8.413 0.006 . 9 . . . . 69 CYS H . 16271 1 796 . 1 1 69 69 CYS HA H 1 5.110 0.004 . 9 . . . . 69 CYS HA . 16271 1 797 . 1 1 69 69 CYS HB2 H 1 2.471 0.013 . 9 . . . . 69 CYS HB2 . 16271 1 798 . 1 1 69 69 CYS HB3 H 1 2.676 0.006 . 9 . . . . 69 CYS HB3 . 16271 1 799 . 1 1 69 69 CYS CA C 13 57.849 0.112 . 9 . . . . 69 CYS CA . 16271 1 800 . 1 1 69 69 CYS CB C 13 28.023 0.028 . 9 . . . . 69 CYS CB . 16271 1 801 . 1 1 69 69 CYS N N 15 123.291 0.032 . 9 . . . . 69 CYS N . 16271 1 802 . 1 1 70 70 VAL H H 1 8.667 0.004 . 9 . . . . 70 VAL H . 16271 1 803 . 1 1 70 70 VAL HA H 1 4.586 0.003 . 9 . . . . 70 VAL HA . 16271 1 804 . 1 1 70 70 VAL HB H 1 2.006 0.005 . 9 . . . . 70 VAL HB . 16271 1 805 . 1 1 70 70 VAL HG11 H 1 0.789 0.001 . 9 . . . . 70 VAL QG1 . 16271 1 806 . 1 1 70 70 VAL HG12 H 1 0.789 0.001 . 9 . . . . 70 VAL QG1 . 16271 1 807 . 1 1 70 70 VAL HG13 H 1 0.789 0.001 . 9 . . . . 70 VAL QG1 . 16271 1 808 . 1 1 70 70 VAL HG21 H 1 0.854 0.007 . 9 . . . . 70 VAL QG2 . 16271 1 809 . 1 1 70 70 VAL HG22 H 1 0.854 0.007 . 9 . . . . 70 VAL QG2 . 16271 1 810 . 1 1 70 70 VAL HG23 H 1 0.854 0.007 . 9 . . . . 70 VAL QG2 . 16271 1 811 . 1 1 70 70 VAL CA C 13 59.611 0.089 . 9 . . . . 70 VAL CA . 16271 1 812 . 1 1 70 70 VAL CB C 13 36.020 0.050 . 9 . . . . 70 VAL CB . 16271 1 813 . 1 1 70 70 VAL CG1 C 13 19.609 0.034 . 9 . . . . 70 VAL CG1 . 16271 1 814 . 1 1 70 70 VAL CG2 C 13 21.197 0.048 . 9 . . . . 70 VAL CG2 . 16271 1 815 . 1 1 70 70 VAL N N 15 123.316 0.028 . 9 . . . . 70 VAL N . 16271 1 816 . 1 1 71 71 GLN H H 1 8.816 0.010 . 9 . . . . 71 GLN H . 16271 1 817 . 1 1 71 71 GLN HA H 1 4.812 0.005 . 9 . . . . 71 GLN HA . 16271 1 818 . 1 1 71 71 GLN HB2 H 1 1.869 0.005 . 9 . . . . 71 GLN HB2 . 16271 1 819 . 1 1 71 71 GLN HB3 H 1 2.016 0.008 . 9 . . . . 71 GLN HB3 . 16271 1 820 . 1 1 71 71 GLN HE21 H 1 6.741 0.003 . 9 . . . . 71 GLN HE21 . 16271 1 821 . 1 1 71 71 GLN HE22 H 1 7.433 0.003 . 9 . . . . 71 GLN HE22 . 16271 1 822 . 1 1 71 71 GLN HG2 H 1 2.392 0.005 . 9 . . . . 71 GLN QG . 16271 1 823 . 1 1 71 71 GLN HG3 H 1 2.392 0.005 . 9 . . . . 71 GLN QG . 16271 1 824 . 1 1 71 71 GLN CA C 13 55.446 0.014 . 9 . . . . 71 GLN CA . 16271 1 825 . 1 1 71 71 GLN CB C 13 29.154 0.013 . 9 . . . . 71 GLN CB . 16271 1 826 . 1 1 71 71 GLN CG C 13 33.955 0.032 . 9 . . . . 71 GLN CG . 16271 1 827 . 1 1 71 71 GLN N N 15 124.256 0.040 . 9 . . . . 71 GLN N . 16271 1 828 . 1 1 71 71 GLN NE2 N 15 109.574 0.038 . 9 . . . . 71 GLN NE2 . 16271 1 829 . 1 1 72 72 GLU H H 1 8.721 0.005 . 9 . . . . 72 GLU H . 16271 1 830 . 1 1 72 72 GLU HA H 1 4.216 0.002 . 9 . . . . 72 GLU HA . 16271 1 831 . 1 1 72 72 GLU HB2 H 1 1.773 0.005 . 9 . . . . 72 GLU HB2 . 16271 1 832 . 1 1 72 72 GLU HB3 H 1 1.929 0.002 . 9 . . . . 72 GLU HB3 . 16271 1 833 . 1 1 72 72 GLU HG2 H 1 2.066 0.004 . 9 . . . . 72 GLU QG . 16271 1 834 . 1 1 72 72 GLU HG3 H 1 2.066 0.004 . 9 . . . . 72 GLU QG . 16271 1 835 . 1 1 72 72 GLU CA C 13 56.615 0.080 . 9 . . . . 72 GLU CA . 16271 1 836 . 1 1 72 72 GLU CB C 13 30.839 0.028 . 9 . . . . 72 GLU CB . 16271 1 837 . 1 1 72 72 GLU CG C 13 36.617 0.005 . 9 . . . . 72 GLU CG . 16271 1 838 . 1 1 72 72 GLU N N 15 127.195 0.035 . 9 . . . . 72 GLU N . 16271 1 839 . 1 1 73 73 ALA H H 1 8.463 0.003 . 9 . . . . 73 ALA H . 16271 1 840 . 1 1 73 73 ALA HA H 1 4.386 0.004 . 9 . . . . 73 ALA HA . 16271 1 841 . 1 1 73 73 ALA HB1 H 1 1.332 0.004 . 9 . . . . 73 ALA QB . 16271 1 842 . 1 1 73 73 ALA HB2 H 1 1.332 0.004 . 9 . . . . 73 ALA QB . 16271 1 843 . 1 1 73 73 ALA HB3 H 1 1.332 0.004 . 9 . . . . 73 ALA QB . 16271 1 844 . 1 1 73 73 ALA CA C 13 51.936 0.067 . 9 . . . . 73 ALA CA . 16271 1 845 . 1 1 73 73 ALA CB C 13 19.603 0.038 . 9 . . . . 73 ALA CB . 16271 1 846 . 1 1 73 73 ALA N N 15 126.878 0.038 . 9 . . . . 73 ALA N . 16271 1 847 . 1 1 74 74 GLU H H 1 8.482 0.004 . 9 . . . . 74 GLU H . 16271 1 848 . 1 1 74 74 GLU HA H 1 4.239 0.001 . 9 . . . . 74 GLU HA . 16271 1 849 . 1 1 74 74 GLU HB2 H 1 2.016 0.006 . 9 . . . . 74 GLU HB2 . 16271 1 850 . 1 1 74 74 GLU HB3 H 1 1.887 0.003 . 9 . . . . 74 GLU HB3 . 16271 1 851 . 1 1 74 74 GLU HG2 H 1 2.220 0.004 . 9 . . . . 74 GLU QG . 16271 1 852 . 1 1 74 74 GLU HG3 H 1 2.220 0.004 . 9 . . . . 74 GLU QG . 16271 1 853 . 1 1 74 74 GLU CA C 13 56.487 0.043 . 9 . . . . 74 GLU CA . 16271 1 854 . 1 1 74 74 GLU CB C 13 30.428 0.148 . 9 . . . . 74 GLU CB . 16271 1 855 . 1 1 74 74 GLU CG C 13 36.264 0.057 . 9 . . . . 74 GLU CG . 16271 1 856 . 1 1 74 74 GLU N N 15 121.327 0.019 . 9 . . . . 74 GLU N . 16271 1 857 . 1 1 74 74 GLU C C 13 176.580 0.000 . 9 . . . . 74 GLU O . 16271 1 858 . 1 1 75 75 GLU H H 1 8.624 0.003 . 9 . . . . 75 GLU H . 16271 1 859 . 1 1 75 75 GLU HA H 1 4.254 0.007 . 9 . . . . 75 GLU HA . 16271 1 860 . 1 1 75 75 GLU HB2 H 1 2.021 0.006 . 9 . . . . 75 GLU HB2 . 16271 1 861 . 1 1 75 75 GLU HB3 H 1 1.904 0.002 . 9 . . . . 75 GLU HB3 . 16271 1 862 . 1 1 75 75 GLU HG2 H 1 2.225 0.009 . 9 . . . . 75 GLU QG . 16271 1 863 . 1 1 75 75 GLU HG3 H 1 2.225 0.009 . 9 . . . . 75 GLU QG . 16271 1 864 . 1 1 75 75 GLU CA C 13 56.817 0.046 . 9 . . . . 75 GLU CA . 16271 1 865 . 1 1 75 75 GLU CB C 13 30.283 0.019 . 9 . . . . 75 GLU CB . 16271 1 866 . 1 1 75 75 GLU CG C 13 36.321 0.017 . 9 . . . . 75 GLU CG . 16271 1 867 . 1 1 75 75 GLU N N 15 122.708 0.016 . 9 . . . . 75 GLU N . 16271 1 868 . 1 1 75 75 GLU C C 13 176.582 0.000 . 9 . . . . 75 GLU O . 16271 1 869 . 1 1 76 76 THR H H 1 8.106 0.003 . 9 . . . . 76 THR H . 16271 1 870 . 1 1 76 76 THR HA H 1 4.239 0.003 . 9 . . . . 76 THR HA . 16271 1 871 . 1 1 76 76 THR HB H 1 4.134 0.001 . 9 . . . . 76 THR HB . 16271 1 872 . 1 1 76 76 THR HG21 H 1 1.142 0.005 . 9 . . . . 76 THR QG2 . 16271 1 873 . 1 1 76 76 THR HG22 H 1 1.142 0.005 . 9 . . . . 76 THR QG2 . 16271 1 874 . 1 1 76 76 THR HG23 H 1 1.142 0.005 . 9 . . . . 76 THR QG2 . 16271 1 875 . 1 1 76 76 THR CA C 13 62.157 0.082 . 9 . . . . 76 THR CA . 16271 1 876 . 1 1 76 76 THR CB C 13 69.603 0.024 . 9 . . . . 76 THR CB . 16271 1 877 . 1 1 76 76 THR CG2 C 13 21.550 0.105 . 9 . . . . 76 THR CG2 . 16271 1 878 . 1 1 76 76 THR N N 15 115.188 0.015 . 9 . . . . 76 THR N . 16271 1 879 . 1 1 76 76 THR C C 13 174.224 0.000 . 9 . . . . 76 THR O . 16271 1 880 . 1 1 77 77 LEU H H 1 8.211 0.005 . 9 . . . . 77 LEU H . 16271 1 881 . 1 1 77 77 LEU HA H 1 4.275 0.002 . 9 . . . . 77 LEU HA . 16271 1 882 . 1 1 77 77 LEU HB2 H 1 1.542 0.004 . 9 . . . . 77 LEU HB2 . 16271 1 883 . 1 1 77 77 LEU HB3 H 1 1.622 0.000 . 9 . . . . 77 LEU HB3 . 16271 1 884 . 1 1 77 77 LEU HD11 H 1 0.812 0.000 . 9 . . . . 77 LEU QD1 . 16271 1 885 . 1 1 77 77 LEU HD12 H 1 0.812 0.000 . 9 . . . . 77 LEU QD1 . 16271 1 886 . 1 1 77 77 LEU HD13 H 1 0.812 0.000 . 9 . . . . 77 LEU QD1 . 16271 1 887 . 1 1 77 77 LEU HD21 H 1 0.868 0.000 . 9 . . . . 77 LEU QD2 . 16271 1 888 . 1 1 77 77 LEU HD22 H 1 0.868 0.000 . 9 . . . . 77 LEU QD2 . 16271 1 889 . 1 1 77 77 LEU HD23 H 1 0.868 0.000 . 9 . . . . 77 LEU QD2 . 16271 1 890 . 1 1 77 77 LEU HG H 1 1.568 0.000 . 9 . . . . 77 LEU HG . 16271 1 891 . 1 1 77 77 LEU CA C 13 55.328 0.011 . 9 . . . . 77 LEU CA . 16271 1 892 . 1 1 77 77 LEU CB C 13 42.372 0.014 . 9 . . . . 77 LEU CB . 16271 1 893 . 1 1 77 77 LEU CD1 C 13 23.504 0.000 . 9 . . . . 77 LEU CD1 . 16271 1 894 . 1 1 77 77 LEU CD2 C 13 24.864 0.000 . 9 . . . . 77 LEU CD2 . 16271 1 895 . 1 1 77 77 LEU CG C 13 27.112 0.000 . 9 . . . . 77 LEU CG . 16271 1 896 . 1 1 77 77 LEU N N 15 124.182 0.027 . 9 . . . . 77 LEU N . 16271 1 897 . 1 1 78 78 LEU H H 1 8.113 0.003 . 9 . . . . 78 LEU H . 16271 1 898 . 1 1 78 78 LEU HA H 1 4.317 0.000 . 9 . . . . 78 LEU HA . 16271 1 899 . 1 1 78 78 LEU HB2 H 1 1.613 0.001 . 9 . . . . 78 LEU HB2 . 16271 1 900 . 1 1 78 78 LEU HB3 H 1 1.535 0.003 . 9 . . . . 78 LEU HB3 . 16271 1 901 . 1 1 78 78 LEU HD11 H 1 0.822 0.000 . 9 . . . . 78 LEU QD1 . 16271 1 902 . 1 1 78 78 LEU HD12 H 1 0.822 0.000 . 9 . . . . 78 LEU QD1 . 16271 1 903 . 1 1 78 78 LEU HD13 H 1 0.822 0.000 . 9 . . . . 78 LEU QD1 . 16271 1 904 . 1 1 78 78 LEU HD21 H 1 0.873 0.000 . 9 . . . . 78 LEU QD2 . 16271 1 905 . 1 1 78 78 LEU HD22 H 1 0.873 0.000 . 9 . . . . 78 LEU QD2 . 16271 1 906 . 1 1 78 78 LEU HD23 H 1 0.873 0.000 . 9 . . . . 78 LEU QD2 . 16271 1 907 . 1 1 78 78 LEU HG H 1 1.531 0.000 . 9 . . . . 78 LEU HG . 16271 1 908 . 1 1 78 78 LEU CA C 13 55.104 0.019 . 9 . . . . 78 LEU CA . 16271 1 909 . 1 1 78 78 LEU CB C 13 42.016 0.013 . 9 . . . . 78 LEU CB . 16271 1 910 . 1 1 78 78 LEU CD1 C 13 23.355 0.000 . 9 . . . . 78 LEU CD1 . 16271 1 911 . 1 1 78 78 LEU CD2 C 13 24.994 0.000 . 9 . . . . 78 LEU CD2 . 16271 1 912 . 1 1 78 78 LEU CG C 13 27.098 0.000 . 9 . . . . 78 LEU CG . 16271 1 913 . 1 1 78 78 LEU N N 15 122.186 0.022 . 9 . . . . 78 LEU N . 16271 1 914 . 1 1 79 79 ILE H H 1 7.809 0.011 . 9 . . . . 79 ILE H . 16271 1 915 . 1 1 79 79 ILE HA H 1 4.097 0.006 . 9 . . . . 79 ILE HA . 16271 1 916 . 1 1 79 79 ILE HB H 1 1.814 0.004 . 9 . . . . 79 ILE HB . 16271 1 917 . 1 1 79 79 ILE HD11 H 1 0.809 0.003 . 9 . . . . 79 ILE QD1 . 16271 1 918 . 1 1 79 79 ILE HD12 H 1 0.809 0.003 . 9 . . . . 79 ILE QD1 . 16271 1 919 . 1 1 79 79 ILE HD13 H 1 0.809 0.003 . 9 . . . . 79 ILE QD1 . 16271 1 920 . 1 1 79 79 ILE HG12 H 1 1.112 0.007 . 9 . . . . 79 ILE HG12 . 16271 1 921 . 1 1 79 79 ILE HG13 H 1 1.383 0.004 . 9 . . . . 79 ILE HG13 . 16271 1 922 . 1 1 79 79 ILE HG21 H 1 0.841 0.004 . 9 . . . . 79 ILE QG2 . 16271 1 923 . 1 1 79 79 ILE HG22 H 1 0.841 0.004 . 9 . . . . 79 ILE QG2 . 16271 1 924 . 1 1 79 79 ILE HG23 H 1 0.841 0.004 . 9 . . . . 79 ILE QG2 . 16271 1 925 . 1 1 79 79 ILE CA C 13 61.402 0.060 . 9 . . . . 79 ILE CA . 16271 1 926 . 1 1 79 79 ILE CB C 13 38.868 0.131 . 9 . . . . 79 ILE CB . 16271 1 927 . 1 1 79 79 ILE CD1 C 13 13.070 0.033 . 9 . . . . 79 ILE CD1 . 16271 1 928 . 1 1 79 79 ILE CG1 C 13 27.198 0.030 . 9 . . . . 79 ILE CG1 . 16271 1 929 . 1 1 79 79 ILE CG2 C 13 17.499 0.025 . 9 . . . . 79 ILE CG2 . 16271 1 930 . 1 1 79 79 ILE N N 15 119.634 0.018 . 9 . . . . 79 ILE N . 16271 1 931 . 1 1 80 80 ASP H H 1 8.231 0.003 . 9 . . . . 80 ASP H . 16271 1 932 . 1 1 80 80 ASP HA H 1 4.572 0.004 . 9 . . . . 80 ASP HA . 16271 1 933 . 1 1 80 80 ASP HB2 H 1 2.568 0.007 . 9 . . . . 80 ASP HB2 . 16271 1 934 . 1 1 80 80 ASP HB3 H 1 2.694 0.005 . 9 . . . . 80 ASP HB3 . 16271 1 935 . 1 1 80 80 ASP CA C 13 54.276 0.067 . 9 . . . . 80 ASP CA . 16271 1 936 . 1 1 80 80 ASP CB C 13 41.100 0.060 . 9 . . . . 80 ASP CB . 16271 1 937 . 1 1 80 80 ASP N N 15 122.552 0.037 . 9 . . . . 80 ASP N . 16271 1 938 . 1 1 81 81 ILE H H 1 7.894 0.005 . 9 . . . . 81 ILE H . 16271 1 939 . 1 1 81 81 ILE HA H 1 4.101 0.003 . 9 . . . . 81 ILE HA . 16271 1 940 . 1 1 81 81 ILE HB H 1 1.874 0.004 . 9 . . . . 81 ILE HB . 16271 1 941 . 1 1 81 81 ILE HD11 H 1 0.831 0.007 . 9 . . . . 81 ILE QD1 . 16271 1 942 . 1 1 81 81 ILE HD12 H 1 0.831 0.007 . 9 . . . . 81 ILE QD1 . 16271 1 943 . 1 1 81 81 ILE HD13 H 1 0.831 0.007 . 9 . . . . 81 ILE QD1 . 16271 1 944 . 1 1 81 81 ILE HG12 H 1 1.155 0.010 . 9 . . . . 81 ILE HG12 . 16271 1 945 . 1 1 81 81 ILE HG13 H 1 1.392 0.006 . 9 . . . . 81 ILE HG13 . 16271 1 946 . 1 1 81 81 ILE HG21 H 1 0.879 0.004 . 9 . . . . 81 ILE QG2 . 16271 1 947 . 1 1 81 81 ILE HG22 H 1 0.879 0.004 . 9 . . . . 81 ILE QG2 . 16271 1 948 . 1 1 81 81 ILE HG23 H 1 0.879 0.004 . 9 . . . . 81 ILE QG2 . 16271 1 949 . 1 1 81 81 ILE CA C 13 61.656 0.085 . 9 . . . . 81 ILE CA . 16271 1 950 . 1 1 81 81 ILE CB C 13 38.849 0.064 . 9 . . . . 81 ILE CB . 16271 1 951 . 1 1 81 81 ILE CD1 C 13 13.248 0.023 . 9 . . . . 81 ILE CD1 . 16271 1 952 . 1 1 81 81 ILE CG1 C 13 27.215 0.023 . 9 . . . . 81 ILE CG1 . 16271 1 953 . 1 1 81 81 ILE CG2 C 13 17.558 0.061 . 9 . . . . 81 ILE CG2 . 16271 1 954 . 1 1 81 81 ILE N N 15 120.163 0.025 . 9 . . . . 81 ILE N . 16271 1 955 . 1 1 82 82 ALA H H 1 8.268 0.007 . 9 . . . . 82 ALA H . 16271 1 956 . 1 1 82 82 ALA HA H 1 4.309 0.003 . 9 . . . . 82 ALA HA . 16271 1 957 . 1 1 82 82 ALA HB1 H 1 1.368 0.003 . 9 . . . . 82 ALA QB . 16271 1 958 . 1 1 82 82 ALA HB2 H 1 1.368 0.003 . 9 . . . . 82 ALA QB . 16271 1 959 . 1 1 82 82 ALA HB3 H 1 1.368 0.003 . 9 . . . . 82 ALA QB . 16271 1 960 . 1 1 82 82 ALA CA C 13 52.658 0.045 . 9 . . . . 82 ALA CA . 16271 1 961 . 1 1 82 82 ALA CB C 13 19.150 0.051 . 9 . . . . 82 ALA CB . 16271 1 962 . 1 1 82 82 ALA N N 15 126.176 0.027 . 9 . . . . 82 ALA N . 16271 1 963 . 1 1 83 83 SER H H 1 8.060 0.003 . 9 . . . . 83 SER H . 16271 1 964 . 1 1 83 83 SER HA H 1 4.396 0.002 . 9 . . . . 83 SER HA . 16271 1 965 . 1 1 83 83 SER HB2 H 1 3.832 0.003 . 9 . . . . 83 SER QB . 16271 1 966 . 1 1 83 83 SER HB3 H 1 3.832 0.003 . 9 . . . . 83 SER QB . 16271 1 967 . 1 1 83 83 SER CA C 13 58.361 0.039 . 9 . . . . 83 SER CA . 16271 1 968 . 1 1 83 83 SER CB C 13 63.839 0.024 . 9 . . . . 83 SER CB . 16271 1 969 . 1 1 83 83 SER N N 15 114.321 0.019 . 9 . . . . 83 SER N . 16271 1 970 . 1 1 84 84 ASN H H 1 8.376 0.002 . 9 . . . . 84 ASN H . 16271 1 971 . 1 1 84 84 ASN HA H 1 4.775 0.003 . 9 . . . . 84 ASN HA . 16271 1 972 . 1 1 84 84 ASN HB2 H 1 2.734 0.004 . 9 . . . . 84 ASN HB2 . 16271 1 973 . 1 1 84 84 ASN HB3 H 1 2.850 0.005 . 9 . . . . 84 ASN HB3 . 16271 1 974 . 1 1 84 84 ASN HD21 H 1 6.907 0.005 . 9 . . . . 84 ASN HD21 . 16271 1 975 . 1 1 84 84 ASN HD22 H 1 7.634 0.003 . 9 . . . . 84 ASN HD22 . 16271 1 976 . 1 1 84 84 ASN CA C 13 53.308 0.058 . 9 . . . . 84 ASN CA . 16271 1 977 . 1 1 84 84 ASN CB C 13 39.221 0.025 . 9 . . . . 84 ASN CB . 16271 1 978 . 1 1 84 84 ASN N N 15 120.773 0.031 . 9 . . . . 84 ASN N . 16271 1 979 . 1 1 84 84 ASN ND2 N 15 113.051 0.239 . 9 . . . . 84 ASN ND2 . 16271 1 980 . 1 1 85 85 SER H H 1 8.289 0.003 . 9 . . . . 85 SER H . 16271 1 981 . 1 1 85 85 SER HA H 1 4.501 0.001 . 9 . . . . 85 SER HA . 16271 1 982 . 1 1 85 85 SER HB2 H 1 3.886 0.004 . 9 . . . . 85 SER HB2 . 16271 1 983 . 1 1 85 85 SER HB3 H 1 3.830 0.001 . 9 . . . . 85 SER HB3 . 16271 1 984 . 1 1 85 85 SER CA C 13 58.431 0.076 . 9 . . . . 85 SER CA . 16271 1 985 . 1 1 85 85 SER CB C 13 64.271 0.044 . 9 . . . . 85 SER CB . 16271 1 986 . 1 1 85 85 SER N N 15 116.250 0.017 . 9 . . . . 85 SER N . 16271 1 987 . 1 1 86 86 GLY H H 1 8.450 0.004 . 9 . . . . 86 GLY H . 16271 1 988 . 1 1 86 86 GLY HA2 H 1 4.251 0.006 . 9 . . . . 86 GLY HA2 . 16271 1 989 . 1 1 86 86 GLY HA3 H 1 3.714 0.004 . 9 . . . . 86 GLY HA3 . 16271 1 990 . 1 1 86 86 GLY CA C 13 45.250 0.030 . 9 . . . . 86 GLY CA . 16271 1 991 . 1 1 86 86 GLY N N 15 110.181 0.027 . 9 . . . . 86 GLY N . 16271 1 992 . 1 1 87 87 CYS H H 1 8.695 0.004 . 9 . . . . 87 CYS H . 16271 1 993 . 1 1 87 87 CYS HA H 1 4.909 0.003 . 9 . . . . 87 CYS HA . 16271 1 994 . 1 1 87 87 CYS HB2 H 1 3.364 0.005 . 9 . . . . 87 CYS HB2 . 16271 1 995 . 1 1 87 87 CYS HB3 H 1 3.168 0.002 . 9 . . . . 87 CYS HB3 . 16271 1 996 . 1 1 87 87 CYS CA C 13 54.731 0.135 . 9 . . . . 87 CYS CA . 16271 1 997 . 1 1 87 87 CYS CB C 13 45.521 0.004 . 9 . . . . 87 CYS CB . 16271 1 998 . 1 1 87 87 CYS N N 15 118.094 0.025 . 9 . . . . 87 CYS N . 16271 1 999 . 1 1 88 88 LYS H H 1 8.870 0.006 . 9 . . . . 88 LYS H . 16271 1 1000 . 1 1 88 88 LYS HA H 1 5.396 0.008 . 9 . . . . 88 LYS HA . 16271 1 1001 . 1 1 88 88 LYS HB2 H 1 1.704 0.004 . 9 . . . . 88 LYS QB . 16271 1 1002 . 1 1 88 88 LYS HB3 H 1 1.704 0.004 . 9 . . . . 88 LYS QB . 16271 1 1003 . 1 1 88 88 LYS HD2 H 1 1.551 0.002 . 9 . . . . 88 LYS QD . 16271 1 1004 . 1 1 88 88 LYS HD3 H 1 1.551 0.002 . 9 . . . . 88 LYS QD . 16271 1 1005 . 1 1 88 88 LYS HE2 H 1 2.895 0.018 . 9 . . . . 88 LYS HE2 . 16271 1 1006 . 1 1 88 88 LYS HE3 H 1 2.842 0.001 . 9 . . . . 88 LYS HE3 . 16271 1 1007 . 1 1 88 88 LYS HG2 H 1 1.475 0.004 . 9 . . . . 88 LYS HG2 . 16271 1 1008 . 1 1 88 88 LYS HG3 H 1 1.312 0.007 . 9 . . . . 88 LYS HG3 . 16271 1 1009 . 1 1 88 88 LYS CA C 13 55.629 0.091 . 9 . . . . 88 LYS CA . 16271 1 1010 . 1 1 88 88 LYS CB C 13 34.906 0.042 . 9 . . . . 88 LYS CB . 16271 1 1011 . 1 1 88 88 LYS CD C 13 29.528 0.072 . 9 . . . . 88 LYS CD . 16271 1 1012 . 1 1 88 88 LYS CE C 13 42.090 0.000 . 9 . . . . 88 LYS CE . 16271 1 1013 . 1 1 88 88 LYS CG C 13 25.817 0.121 . 9 . . . . 88 LYS CG . 16271 1 1014 . 1 1 88 88 LYS N N 15 124.133 0.037 . 9 . . . . 88 LYS N . 16271 1 1015 . 1 1 89 89 ILE H H 1 9.132 0.005 . 9 . . . . 89 ILE H . 16271 1 1016 . 1 1 89 89 ILE HA H 1 5.353 0.004 . 9 . . . . 89 ILE HA . 16271 1 1017 . 1 1 89 89 ILE HB H 1 1.722 0.005 . 9 . . . . 89 ILE HB . 16271 1 1018 . 1 1 89 89 ILE HD11 H 1 0.648 0.003 . 9 . . . . 89 ILE QD1 . 16271 1 1019 . 1 1 89 89 ILE HD12 H 1 0.648 0.003 . 9 . . . . 89 ILE QD1 . 16271 1 1020 . 1 1 89 89 ILE HD13 H 1 0.648 0.003 . 9 . . . . 89 ILE QD1 . 16271 1 1021 . 1 1 89 89 ILE HG12 H 1 1.590 0.004 . 9 . . . . 89 ILE HG12 . 16271 1 1022 . 1 1 89 89 ILE HG13 H 1 0.998 0.005 . 9 . . . . 89 ILE HG13 . 16271 1 1023 . 1 1 89 89 ILE HG21 H 1 0.802 0.004 . 9 . . . . 89 ILE QG2 . 16271 1 1024 . 1 1 89 89 ILE HG22 H 1 0.802 0.004 . 9 . . . . 89 ILE QG2 . 16271 1 1025 . 1 1 89 89 ILE HG23 H 1 0.802 0.004 . 9 . . . . 89 ILE QG2 . 16271 1 1026 . 1 1 89 89 ILE CA C 13 58.774 0.039 . 9 . . . . 89 ILE CA . 16271 1 1027 . 1 1 89 89 ILE CB C 13 42.647 0.036 . 9 . . . . 89 ILE CB . 16271 1 1028 . 1 1 89 89 ILE CD1 C 13 13.011 0.068 . 9 . . . . 89 ILE CD1 . 16271 1 1029 . 1 1 89 89 ILE CG1 C 13 26.716 0.040 . 9 . . . . 89 ILE CG1 . 16271 1 1030 . 1 1 89 89 ILE CG2 C 13 18.117 0.025 . 9 . . . . 89 ILE CG2 . 16271 1 1031 . 1 1 89 89 ILE N N 15 116.289 0.026 . 9 . . . . 89 ILE N . 16271 1 1032 . 1 1 90 90 ARG H H 1 9.099 0.006 . 9 . . . . 90 ARG H . 16271 1 1033 . 1 1 90 90 ARG HA H 1 5.299 0.005 . 9 . . . . 90 ARG HA . 16271 1 1034 . 1 1 90 90 ARG HB2 H 1 1.673 0.006 . 9 . . . . 90 ARG QB . 16271 1 1035 . 1 1 90 90 ARG HB3 H 1 1.673 0.006 . 9 . . . . 90 ARG QB . 16271 1 1036 . 1 1 90 90 ARG HD2 H 1 3.039 0.006 . 9 . . . . 90 ARG QD . 16271 1 1037 . 1 1 90 90 ARG HD3 H 1 3.039 0.006 . 9 . . . . 90 ARG QD . 16271 1 1038 . 1 1 90 90 ARG HE H 1 7.746 0.006 . 9 . . . . 90 ARG HE . 16271 1 1039 . 1 1 90 90 ARG HG2 H 1 1.465 0.000 . 9 . . . . 90 ARG QG . 16271 1 1040 . 1 1 90 90 ARG HG3 H 1 1.465 0.000 . 9 . . . . 90 ARG QG . 16271 1 1041 . 1 1 90 90 ARG CA C 13 54.479 0.028 . 9 . . . . 90 ARG CA . 16271 1 1042 . 1 1 90 90 ARG CB C 13 33.439 0.084 . 9 . . . . 90 ARG CB . 16271 1 1043 . 1 1 90 90 ARG CD C 13 43.624 0.005 . 9 . . . . 90 ARG CD . 16271 1 1044 . 1 1 90 90 ARG CG C 13 27.614 0.016 . 9 . . . . 90 ARG CG . 16271 1 1045 . 1 1 90 90 ARG N N 15 122.978 0.037 . 9 . . . . 90 ARG N . 16271 1 1046 . 1 1 90 90 ARG NE N 15 119.245 0.045 . 9 . . . . 90 ARG NE . 16271 1 1047 . 1 1 91 91 VAL H H 1 9.316 0.004 . 9 . . . . 91 VAL H . 16271 1 1048 . 1 1 91 91 VAL HA H 1 4.857 0.009 . 9 . . . . 91 VAL HA . 16271 1 1049 . 1 1 91 91 VAL HB H 1 1.888 0.005 . 9 . . . . 91 VAL HB . 16271 1 1050 . 1 1 91 91 VAL HG11 H 1 0.802 0.002 . 9 . . . . 91 VAL QG1 . 16271 1 1051 . 1 1 91 91 VAL HG12 H 1 0.802 0.002 . 9 . . . . 91 VAL QG1 . 16271 1 1052 . 1 1 91 91 VAL HG13 H 1 0.802 0.002 . 9 . . . . 91 VAL QG1 . 16271 1 1053 . 1 1 91 91 VAL HG21 H 1 0.913 0.002 . 9 . . . . 91 VAL QG2 . 16271 1 1054 . 1 1 91 91 VAL HG22 H 1 0.913 0.002 . 9 . . . . 91 VAL QG2 . 16271 1 1055 . 1 1 91 91 VAL HG23 H 1 0.913 0.002 . 9 . . . . 91 VAL QG2 . 16271 1 1056 . 1 1 91 91 VAL CA C 13 60.581 0.074 . 9 . . . . 91 VAL CA . 16271 1 1057 . 1 1 91 91 VAL CB C 13 35.419 0.063 . 9 . . . . 91 VAL CB . 16271 1 1058 . 1 1 91 91 VAL CG1 C 13 21.752 0.014 . 9 . . . . 91 VAL CG1 . 16271 1 1059 . 1 1 91 91 VAL CG2 C 13 21.872 0.142 . 9 . . . . 91 VAL CG2 . 16271 1 1060 . 1 1 91 91 VAL N N 15 124.286 0.026 . 9 . . . . 91 VAL N . 16271 1 1061 . 1 1 92 92 GLN H H 1 8.492 0.007 . 9 . . . . 92 GLN H . 16271 1 1062 . 1 1 92 92 GLN HA H 1 4.325 0.004 . 9 . . . . 92 GLN HA . 16271 1 1063 . 1 1 92 92 GLN HB2 H 1 1.751 0.001 . 9 . . . . 92 GLN HB2 . 16271 1 1064 . 1 1 92 92 GLN HB3 H 1 1.909 0.003 . 9 . . . . 92 GLN HB3 . 16271 1 1065 . 1 1 92 92 GLN HE21 H 1 6.692 0.002 . 9 . . . . 92 GLN HE21 . 16271 1 1066 . 1 1 92 92 GLN HE22 H 1 7.590 0.002 . 9 . . . . 92 GLN HE22 . 16271 1 1067 . 1 1 92 92 GLN HG2 H 1 2.231 0.008 . 9 . . . . 92 GLN HG2 . 16271 1 1068 . 1 1 92 92 GLN HG3 H 1 2.407 0.003 . 9 . . . . 92 GLN HG3 . 16271 1 1069 . 1 1 92 92 GLN CA C 13 54.805 0.034 . 9 . . . . 92 GLN CA . 16271 1 1070 . 1 1 92 92 GLN CB C 13 33.035 0.013 . 9 . . . . 92 GLN CB . 16271 1 1071 . 1 1 92 92 GLN CG C 13 33.877 0.032 . 9 . . . . 92 GLN CG . 16271 1 1072 . 1 1 92 92 GLN N N 15 123.420 0.042 . 9 . . . . 92 GLN N . 16271 1 1073 . 1 1 92 92 GLN NE2 N 15 110.815 0.276 . 9 . . . . 92 GLN NE2 . 16271 1 1074 . 1 1 93 93 GLY H H 1 7.060 0.003 . 9 . . . . 93 GLY H . 16271 1 1075 . 1 1 93 93 GLY HA2 H 1 3.836 0.004 . 9 . . . . 93 GLY HA2 . 16271 1 1076 . 1 1 93 93 GLY HA3 H 1 4.009 0.001 . 9 . . . . 93 GLY HA3 . 16271 1 1077 . 1 1 93 93 GLY CA C 13 45.079 0.024 . 9 . . . . 93 GLY CA . 16271 1 1078 . 1 1 93 93 GLY N N 15 105.562 0.029 . 9 . . . . 93 GLY N . 16271 1 1079 . 1 1 94 94 ASP H H 1 9.458 0.003 . 9 . . . . 94 ASP H . 16271 1 1080 . 1 1 94 94 ASP HA H 1 3.884 0.004 . 9 . . . . 94 ASP HA . 16271 1 1081 . 1 1 94 94 ASP HB2 H 1 1.982 0.006 . 9 . . . . 94 ASP HB2 . 16271 1 1082 . 1 1 94 94 ASP HB3 H 1 0.409 0.005 . 9 . . . . 94 ASP HB3 . 16271 1 1083 . 1 1 94 94 ASP CA C 13 48.958 0.049 . 9 . . . . 94 ASP CA . 16271 1 1084 . 1 1 94 94 ASP CB C 13 38.698 0.035 . 9 . . . . 94 ASP CB . 16271 1 1085 . 1 1 94 94 ASP N N 15 124.400 0.046 . 9 . . . . 94 ASP N . 16271 1 1086 . 1 1 95 95 TRP H H 1 7.911 0.004 . 9 . . . . 95 TRP H . 16271 1 1087 . 1 1 95 95 TRP HA H 1 5.178 0.007 . 9 . . . . 95 TRP HA . 16271 1 1088 . 1 1 95 95 TRP HB2 H 1 3.352 0.005 . 9 . . . . 95 TRP HB2 . 16271 1 1089 . 1 1 95 95 TRP HB3 H 1 3.022 0.008 . 9 . . . . 95 TRP HB3 . 16271 1 1090 . 1 1 95 95 TRP HD1 H 1 7.267 0.004 . 9 . . . . 95 TRP HD1 . 16271 1 1091 . 1 1 95 95 TRP HE1 H 1 10.131 0.003 . 9 . . . . 95 TRP HE1 . 16271 1 1092 . 1 1 95 95 TRP HE3 H 1 7.650 0.002 . 9 . . . . 95 TRP HE3 . 16271 1 1093 . 1 1 95 95 TRP HH2 H 1 7.199 0.002 . 9 . . . . 95 TRP HH2 . 16271 1 1094 . 1 1 95 95 TRP HZ2 H 1 7.454 0.008 . 9 . . . . 95 TRP HZ2 . 16271 1 1095 . 1 1 95 95 TRP HZ3 H 1 7.088 0.005 . 9 . . . . 95 TRP HZ3 . 16271 1 1096 . 1 1 95 95 TRP CA C 13 59.743 0.103 . 9 . . . . 95 TRP CA . 16271 1 1097 . 1 1 95 95 TRP CB C 13 29.066 0.057 . 9 . . . . 95 TRP CB . 16271 1 1098 . 1 1 95 95 TRP CD1 C 13 127.371 0.057 . 9 . . . . 95 TRP CD1 . 16271 1 1099 . 1 1 95 95 TRP CE3 C 13 120.757 0.000 . 9 . . . . 95 TRP CE3 . 16271 1 1100 . 1 1 95 95 TRP CH2 C 13 124.713 0.016 . 9 . . . . 95 TRP CH2 . 16271 1 1101 . 1 1 95 95 TRP CZ2 C 13 114.605 0.007 . 9 . . . . 95 TRP CZ2 . 16271 1 1102 . 1 1 95 95 TRP CZ3 C 13 122.511 0.010 . 9 . . . . 95 TRP CZ3 . 16271 1 1103 . 1 1 95 95 TRP N N 15 128.757 0.029 . 9 . . . . 95 TRP N . 16271 1 1104 . 1 1 95 95 TRP NE1 N 15 128.182 0.034 . 9 . . . . 95 TRP NE1 . 16271 1 1105 . 1 1 96 96 ILE H H 1 8.626 0.005 . 9 . . . . 96 ILE H . 16271 1 1106 . 1 1 96 96 ILE HA H 1 4.753 0.004 . 9 . . . . 96 ILE HA . 16271 1 1107 . 1 1 96 96 ILE HB H 1 2.175 0.004 . 9 . . . . 96 ILE HB . 16271 1 1108 . 1 1 96 96 ILE HD11 H 1 0.773 0.003 . 9 . . . . 96 ILE QD1 . 16271 1 1109 . 1 1 96 96 ILE HD12 H 1 0.773 0.003 . 9 . . . . 96 ILE QD1 . 16271 1 1110 . 1 1 96 96 ILE HD13 H 1 0.773 0.003 . 9 . . . . 96 ILE QD1 . 16271 1 1111 . 1 1 96 96 ILE HG12 H 1 1.474 0.001 . 9 . . . . 96 ILE HG12 . 16271 1 1112 . 1 1 96 96 ILE HG21 H 1 0.927 0.002 . 9 . . . . 96 ILE QG2 . 16271 1 1113 . 1 1 96 96 ILE HG22 H 1 0.927 0.002 . 9 . . . . 96 ILE QG2 . 16271 1 1114 . 1 1 96 96 ILE HG23 H 1 0.927 0.002 . 9 . . . . 96 ILE QG2 . 16271 1 1115 . 1 1 96 96 ILE CA C 13 59.903 0.036 . 9 . . . . 96 ILE CA . 16271 1 1116 . 1 1 96 96 ILE CB C 13 41.608 0.022 . 9 . . . . 96 ILE CB . 16271 1 1117 . 1 1 96 96 ILE CD1 C 13 14.033 0.033 . 9 . . . . 96 ILE CD1 . 16271 1 1118 . 1 1 96 96 ILE CG2 C 13 18.585 0.030 . 9 . . . . 96 ILE CG2 . 16271 1 1119 . 1 1 96 96 ILE N N 15 115.405 0.039 . 9 . . . . 96 ILE N . 16271 1 1120 . 1 1 97 97 ARG H H 1 8.185 0.005 . 9 . . . . 97 ARG H . 16271 1 1121 . 1 1 97 97 ARG HA H 1 4.453 0.002 . 9 . . . . 97 ARG HA . 16271 1 1122 . 1 1 97 97 ARG HB2 H 1 1.752 0.003 . 9 . . . . 97 ARG HB2 . 16271 1 1123 . 1 1 97 97 ARG HB3 H 1 1.880 0.003 . 9 . . . . 97 ARG HB3 . 16271 1 1124 . 1 1 97 97 ARG HD2 H 1 3.203 0.005 . 9 . . . . 97 ARG QD . 16271 1 1125 . 1 1 97 97 ARG HD3 H 1 3.203 0.005 . 9 . . . . 97 ARG QD . 16271 1 1126 . 1 1 97 97 ARG HG2 H 1 1.641 0.012 . 9 . . . . 97 ARG QG . 16271 1 1127 . 1 1 97 97 ARG HG3 H 1 1.641 0.012 . 9 . . . . 97 ARG QG . 16271 1 1128 . 1 1 97 97 ARG CA C 13 55.700 0.031 . 9 . . . . 97 ARG CA . 16271 1 1129 . 1 1 97 97 ARG CB C 13 30.778 0.121 . 9 . . . . 97 ARG CB . 16271 1 1130 . 1 1 97 97 ARG CD C 13 43.314 0.023 . 9 . . . . 97 ARG CD . 16271 1 1131 . 1 1 97 97 ARG CG C 13 27.216 0.063 . 9 . . . . 97 ARG CG . 16271 1 1132 . 1 1 97 97 ARG N N 15 121.228 0.062 . 9 . . . . 97 ARG N . 16271 1 1133 . 1 1 98 98 GLU H H 1 8.013 0.004 . 9 . . . . 98 GLU H . 16271 1 1134 . 1 1 98 98 GLU HA H 1 4.587 0.001 . 9 . . . . 98 GLU HA . 16271 1 1135 . 1 1 98 98 GLU HB2 H 1 1.933 0.007 . 9 . . . . 98 GLU QB . 16271 1 1136 . 1 1 98 98 GLU HB3 H 1 1.933 0.007 . 9 . . . . 98 GLU QB . 16271 1 1137 . 1 1 98 98 GLU HG2 H 1 2.099 0.014 . 9 . . . . 98 GLU HG2 . 16271 1 1138 . 1 1 98 98 GLU HG3 H 1 1.995 0.001 . 9 . . . . 98 GLU HG3 . 16271 1 1139 . 1 1 98 98 GLU CA C 13 57.339 0.156 . 9 . . . . 98 GLU CA . 16271 1 1140 . 1 1 98 98 GLU CB C 13 30.817 0.017 . 9 . . . . 98 GLU CB . 16271 1 1141 . 1 1 98 98 GLU CG C 13 37.056 0.022 . 9 . . . . 98 GLU CG . 16271 1 1142 . 1 1 98 98 GLU N N 15 117.732 0.027 . 9 . . . . 98 GLU N . 16271 1 1143 . 1 1 99 99 ARG H H 1 8.757 0.003 . 9 . . . . 99 ARG H . 16271 1 1144 . 1 1 99 99 ARG HA H 1 4.633 0.006 . 9 . . . . 99 ARG HA . 16271 1 1145 . 1 1 99 99 ARG HB2 H 1 1.255 0.008 . 9 . . . . 99 ARG HB2 . 16271 1 1146 . 1 1 99 99 ARG HB3 H 1 1.846 0.008 . 9 . . . . 99 ARG HB3 . 16271 1 1147 . 1 1 99 99 ARG HD2 H 1 3.253 0.011 . 9 . . . . 99 ARG HD2 . 16271 1 1148 . 1 1 99 99 ARG HD3 H 1 2.694 0.007 . 9 . . . . 99 ARG HD3 . 16271 1 1149 . 1 1 99 99 ARG HE H 1 8.823 0.001 . 9 . . . . 99 ARG HE . 16271 1 1150 . 1 1 99 99 ARG HG2 H 1 1.869 0.001 . 9 . . . . 99 ARG QG . 16271 1 1151 . 1 1 99 99 ARG HG3 H 1 1.869 0.001 . 9 . . . . 99 ARG QG . 16271 1 1152 . 1 1 99 99 ARG CA C 13 54.439 0.024 . 9 . . . . 99 ARG CA . 16271 1 1153 . 1 1 99 99 ARG CB C 13 36.077 0.086 . 9 . . . . 99 ARG CB . 16271 1 1154 . 1 1 99 99 ARG CD C 13 44.123 0.000 . 9 . . . . 99 ARG CD . 16271 1 1155 . 1 1 99 99 ARG CG C 13 26.332 0.042 . 9 . . . . 99 ARG CG . 16271 1 1156 . 1 1 99 99 ARG N N 15 125.138 0.062 . 9 . . . . 99 ARG N . 16271 1 1157 . 1 1 99 99 ARG NE N 15 119.413 0.000 . 9 . . . . 99 ARG NE . 16271 1 1158 . 1 1 100 100 ARG H H 1 8.567 0.008 . 9 . . . . 100 ARG H . 16271 1 1159 . 1 1 100 100 ARG HA H 1 5.279 0.008 . 9 . . . . 100 ARG HA . 16271 1 1160 . 1 1 100 100 ARG HB2 H 1 1.514 0.009 . 9 . . . . 100 ARG HB2 . 16271 1 1161 . 1 1 100 100 ARG HB3 H 1 1.827 0.005 . 9 . . . . 100 ARG HB3 . 16271 1 1162 . 1 1 100 100 ARG HD2 H 1 3.050 0.006 . 9 . . . . 100 ARG QD . 16271 1 1163 . 1 1 100 100 ARG HD3 H 1 3.050 0.006 . 9 . . . . 100 ARG QD . 16271 1 1164 . 1 1 100 100 ARG HE H 1 8.432 0.002 . 9 . . . . 100 ARG HE . 16271 1 1165 . 1 1 100 100 ARG HG2 H 1 1.395 0.005 . 9 . . . . 100 ARG HG2 . 16271 1 1166 . 1 1 100 100 ARG HG3 H 1 1.500 0.010 . 9 . . . . 100 ARG HG3 . 16271 1 1167 . 1 1 100 100 ARG CA C 13 54.588 0.052 . 9 . . . . 100 ARG CA . 16271 1 1168 . 1 1 100 100 ARG CB C 13 34.788 0.088 . 9 . . . . 100 ARG CB . 16271 1 1169 . 1 1 100 100 ARG CD C 13 43.582 0.041 . 9 . . . . 100 ARG CD . 16271 1 1170 . 1 1 100 100 ARG CG C 13 28.140 0.113 . 9 . . . . 100 ARG CG . 16271 1 1171 . 1 1 100 100 ARG N N 15 122.002 0.023 . 9 . . . . 100 ARG N . 16271 1 1172 . 1 1 100 100 ARG NE N 15 120.700 0.000 . 9 . . . . 100 ARG NE . 16271 1 1173 . 1 1 101 101 PHE H H 1 8.903 0.005 . 9 . . . . 101 PHE H . 16271 1 1174 . 1 1 101 101 PHE HA H 1 5.359 0.008 . 9 . . . . 101 PHE HA . 16271 1 1175 . 1 1 101 101 PHE HB2 H 1 2.438 0.008 . 9 . . . . 101 PHE HB2 . 16271 1 1176 . 1 1 101 101 PHE HB3 H 1 2.661 0.008 . 9 . . . . 101 PHE HB3 . 16271 1 1177 . 1 1 101 101 PHE HD1 H 1 6.855 0.003 . 9 . . . . 101 PHE QD . 16271 1 1178 . 1 1 101 101 PHE HD2 H 1 6.855 0.003 . 9 . . . . 101 PHE QD . 16271 1 1179 . 1 1 101 101 PHE HE1 H 1 7.003 0.008 . 9 . . . . 101 PHE QE . 16271 1 1180 . 1 1 101 101 PHE HE2 H 1 7.003 0.008 . 9 . . . . 101 PHE QE . 16271 1 1181 . 1 1 101 101 PHE HZ H 1 6.812 0.003 . 9 . . . . 101 PHE HZ . 16271 1 1182 . 1 1 101 101 PHE CA C 13 56.032 0.063 . 9 . . . . 101 PHE CA . 16271 1 1183 . 1 1 101 101 PHE CB C 13 42.963 0.056 . 9 . . . . 101 PHE CB . 16271 1 1184 . 1 1 101 101 PHE CD1 C 13 132.091 0.025 . 9 . . . . 101 PHE CD1 . 16271 1 1185 . 1 1 101 101 PHE CE1 C 13 130.735 0.049 . 9 . . . . 101 PHE CE1 . 16271 1 1186 . 1 1 101 101 PHE CZ C 13 129.162 0.108 . 9 . . . . 101 PHE CZ . 16271 1 1187 . 1 1 101 101 PHE N N 15 118.420 0.042 . 9 . . . . 101 PHE N . 16271 1 1188 . 1 1 102 102 GLU H H 1 9.461 0.004 . 9 . . . . 102 GLU H . 16271 1 1189 . 1 1 102 102 GLU HA H 1 5.111 0.007 . 9 . . . . 102 GLU HA . 16271 1 1190 . 1 1 102 102 GLU HB2 H 1 2.040 0.002 . 9 . . . . 102 GLU QB . 16271 1 1191 . 1 1 102 102 GLU HB3 H 1 2.040 0.002 . 9 . . . . 102 GLU QB . 16271 1 1192 . 1 1 102 102 GLU HG2 H 1 1.909 0.009 . 9 . . . . 102 GLU HG2 . 16271 1 1193 . 1 1 102 102 GLU HG3 H 1 2.122 0.005 . 9 . . . . 102 GLU HG3 . 16271 1 1194 . 1 1 102 102 GLU CA C 13 54.734 0.039 . 9 . . . . 102 GLU CA . 16271 1 1195 . 1 1 102 102 GLU CB C 13 32.858 0.015 . 9 . . . . 102 GLU CB . 16271 1 1196 . 1 1 102 102 GLU CG C 13 36.733 0.024 . 9 . . . . 102 GLU CG . 16271 1 1197 . 1 1 102 102 GLU N N 15 122.522 0.035 . 9 . . . . 102 GLU N . 16271 1 1198 . 1 1 103 103 ILE H H 1 8.880 0.005 . 9 . . . . 103 ILE H . 16271 1 1199 . 1 1 103 103 ILE HA H 1 4.804 0.004 . 9 . . . . 103 ILE HA . 16271 1 1200 . 1 1 103 103 ILE HB H 1 2.326 0.004 . 9 . . . . 103 ILE HB . 16271 1 1201 . 1 1 103 103 ILE HD11 H 1 0.538 0.003 . 9 . . . . 103 ILE QD1 . 16271 1 1202 . 1 1 103 103 ILE HD12 H 1 0.538 0.003 . 9 . . . . 103 ILE QD1 . 16271 1 1203 . 1 1 103 103 ILE HD13 H 1 0.538 0.003 . 9 . . . . 103 ILE QD1 . 16271 1 1204 . 1 1 103 103 ILE HG12 H 1 1.205 0.005 . 9 . . . . 103 ILE HG12 . 16271 1 1205 . 1 1 103 103 ILE HG13 H 1 1.004 0.006 . 9 . . . . 103 ILE HG13 . 16271 1 1206 . 1 1 103 103 ILE HG21 H 1 0.951 0.006 . 9 . . . . 103 ILE QG2 . 16271 1 1207 . 1 1 103 103 ILE HG22 H 1 0.951 0.006 . 9 . . . . 103 ILE QG2 . 16271 1 1208 . 1 1 103 103 ILE HG23 H 1 0.951 0.006 . 9 . . . . 103 ILE QG2 . 16271 1 1209 . 1 1 103 103 ILE CA C 13 57.520 0.099 . 9 . . . . 103 ILE CA . 16271 1 1210 . 1 1 103 103 ILE CB C 13 39.126 0.099 . 9 . . . . 103 ILE CB . 16271 1 1211 . 1 1 103 103 ILE CD1 C 13 12.751 0.014 . 9 . . . . 103 ILE CD1 . 16271 1 1212 . 1 1 103 103 ILE CG1 C 13 27.318 0.035 . 9 . . . . 103 ILE CG1 . 16271 1 1213 . 1 1 103 103 ILE CG2 C 13 17.882 0.055 . 9 . . . . 103 ILE CG2 . 16271 1 1214 . 1 1 103 103 ILE N N 15 127.547 0.052 . 9 . . . . 103 ILE N . 16271 1 1215 . 1 1 104 104 PRO HA H 1 4.429 0.011 . 9 . . . . 104 PRO HA . 16271 1 1216 . 1 1 104 104 PRO HB2 H 1 2.270 0.006 . 9 . . . . 104 PRO HB2 . 16271 1 1217 . 1 1 104 104 PRO HB3 H 1 2.035 0.003 . 9 . . . . 104 PRO HB3 . 16271 1 1218 . 1 1 104 104 PRO HD2 H 1 3.821 0.009 . 9 . . . . 104 PRO HD2 . 16271 1 1219 . 1 1 104 104 PRO HD3 H 1 4.142 0.004 . 9 . . . . 104 PRO HD3 . 16271 1 1220 . 1 1 104 104 PRO HG2 H 1 2.046 0.004 . 9 . . . . 104 PRO HG2 . 16271 1 1221 . 1 1 104 104 PRO HG3 H 1 1.973 0.006 . 9 . . . . 104 PRO HG3 . 16271 1 1222 . 1 1 104 104 PRO CA C 13 65.033 0.042 . 9 . . . . 104 PRO CA . 16271 1 1223 . 1 1 104 104 PRO CB C 13 32.389 0.051 . 9 . . . . 104 PRO CB . 16271 1 1224 . 1 1 104 104 PRO CD C 13 51.618 0.062 . 9 . . . . 104 PRO CD . 16271 1 1225 . 1 1 104 104 PRO CG C 13 27.100 0.000 . 9 . . . . 104 PRO CG . 16271 1 1226 . 1 1 105 105 ASP H H 1 7.355 0.003 . 9 . . . . 105 ASP H . 16271 1 1227 . 1 1 105 105 ASP HA H 1 4.690 0.004 . 9 . . . . 105 ASP HA . 16271 1 1228 . 1 1 105 105 ASP HB2 H 1 2.416 0.005 . 9 . . . . 105 ASP HB2 . 16271 1 1229 . 1 1 105 105 ASP HB3 H 1 2.824 0.008 . 9 . . . . 105 ASP HB3 . 16271 1 1230 . 1 1 105 105 ASP CA C 13 53.382 0.036 . 9 . . . . 105 ASP CA . 16271 1 1231 . 1 1 105 105 ASP CB C 13 42.467 0.020 . 9 . . . . 105 ASP CB . 16271 1 1232 . 1 1 105 105 ASP N N 15 116.276 0.038 . 9 . . . . 105 ASP N . 16271 1 1233 . 1 1 106 106 GLU H H 1 8.994 0.005 . 9 . . . . 106 GLU H . 16271 1 1234 . 1 1 106 106 GLU HA H 1 3.823 0.004 . 9 . . . . 106 GLU HA . 16271 1 1235 . 1 1 106 106 GLU HB2 H 1 2.121 0.008 . 9 . . . . 106 GLU HB2 . 16271 1 1236 . 1 1 106 106 GLU HB3 H 1 2.070 0.007 . 9 . . . . 106 GLU HB3 . 16271 1 1237 . 1 1 106 106 GLU HG2 H 1 2.272 0.004 . 9 . . . . 106 GLU QG . 16271 1 1238 . 1 1 106 106 GLU HG3 H 1 2.272 0.004 . 9 . . . . 106 GLU QG . 16271 1 1239 . 1 1 106 106 GLU CA C 13 60.336 0.093 . 9 . . . . 106 GLU CA . 16271 1 1240 . 1 1 106 106 GLU CB C 13 30.023 0.054 . 9 . . . . 106 GLU CB . 16271 1 1241 . 1 1 106 106 GLU CG C 13 36.260 0.027 . 9 . . . . 106 GLU CG . 16271 1 1242 . 1 1 106 106 GLU N N 15 127.878 0.029 . 9 . . . . 106 GLU N . 16271 1 1243 . 1 1 107 107 GLU H H 1 8.416 0.009 . 9 . . . . 107 GLU H . 16271 1 1244 . 1 1 107 107 GLU HA H 1 4.026 0.007 . 9 . . . . 107 GLU HA . 16271 1 1245 . 1 1 107 107 GLU HB2 H 1 2.121 0.005 . 9 . . . . 107 GLU HB2 . 16271 1 1246 . 1 1 107 107 GLU HB3 H 1 2.055 0.010 . 9 . . . . 107 GLU HB3 . 16271 1 1247 . 1 1 107 107 GLU HG2 H 1 2.306 0.002 . 9 . . . . 107 GLU HG2 . 16271 1 1248 . 1 1 107 107 GLU HG3 H 1 2.069 0.007 . 9 . . . . 107 GLU HG3 . 16271 1 1249 . 1 1 107 107 GLU CA C 13 59.870 0.097 . 9 . . . . 107 GLU CA . 16271 1 1250 . 1 1 107 107 GLU CB C 13 29.100 0.001 . 9 . . . . 107 GLU CB . 16271 1 1251 . 1 1 107 107 GLU CG C 13 36.266 0.008 . 9 . . . . 107 GLU CG . 16271 1 1252 . 1 1 107 107 GLU N N 15 119.656 0.043 . 9 . . . . 107 GLU N . 16271 1 1253 . 1 1 108 108 HIS H H 1 8.337 0.009 . 9 . . . . 108 HIS H . 16271 1 1254 . 1 1 108 108 HIS HA H 1 4.397 0.005 . 9 . . . . 108 HIS HA . 16271 1 1255 . 1 1 108 108 HIS HB2 H 1 3.226 0.005 . 9 . . . . 108 HIS HB2 . 16271 1 1256 . 1 1 108 108 HIS HB3 H 1 3.147 0.009 . 9 . . . . 108 HIS HB3 . 16271 1 1257 . 1 1 108 108 HIS HD2 H 1 7.114 0.010 . 9 . . . . 108 HIS HD2 . 16271 1 1258 . 1 1 108 108 HIS HE1 H 1 7.955 0.004 . 9 . . . . 108 HIS HE1 . 16271 1 1259 . 1 1 108 108 HIS CA C 13 58.781 0.124 . 9 . . . . 108 HIS CA . 16271 1 1260 . 1 1 108 108 HIS CB C 13 29.727 0.021 . 9 . . . . 108 HIS CB . 16271 1 1261 . 1 1 108 108 HIS CD2 C 13 118.583 0.034 . 9 . . . . 108 HIS CD2 . 16271 1 1262 . 1 1 108 108 HIS CE1 C 13 137.681 0.028 . 9 . . . . 108 HIS CE1 . 16271 1 1263 . 1 1 108 108 HIS N N 15 118.201 0.033 . 9 . . . . 108 HIS N . 16271 1 1264 . 1 1 109 109 CYS H H 1 8.604 0.004 . 9 . . . . 109 CYS H . 16271 1 1265 . 1 1 109 109 CYS HA H 1 3.962 0.005 . 9 . . . . 109 CYS HA . 16271 1 1266 . 1 1 109 109 CYS HB2 H 1 3.311 0.006 . 9 . . . . 109 CYS HB2 . 16271 1 1267 . 1 1 109 109 CYS HB3 H 1 3.675 0.008 . 9 . . . . 109 CYS HB3 . 16271 1 1268 . 1 1 109 109 CYS CA C 13 60.309 0.078 . 9 . . . . 109 CYS CA . 16271 1 1269 . 1 1 109 109 CYS CB C 13 43.994 0.026 . 9 . . . . 109 CYS CB . 16271 1 1270 . 1 1 109 109 CYS N N 15 119.487 0.027 . 9 . . . . 109 CYS N . 16271 1 1271 . 1 1 110 110 LEU H H 1 8.428 0.004 . 9 . . . . 110 LEU H . 16271 1 1272 . 1 1 110 110 LEU HA H 1 4.053 0.007 . 9 . . . . 110 LEU HA . 16271 1 1273 . 1 1 110 110 LEU HB2 H 1 1.576 0.002 . 9 . . . . 110 LEU HB2 . 16271 1 1274 . 1 1 110 110 LEU HB3 H 1 1.891 0.003 . 9 . . . . 110 LEU HB3 . 16271 1 1275 . 1 1 110 110 LEU HD11 H 1 0.883 0.004 . 9 . . . . 110 LEU QD1 . 16271 1 1276 . 1 1 110 110 LEU HD12 H 1 0.883 0.004 . 9 . . . . 110 LEU QD1 . 16271 1 1277 . 1 1 110 110 LEU HD13 H 1 0.883 0.004 . 9 . . . . 110 LEU QD1 . 16271 1 1278 . 1 1 110 110 LEU HD21 H 1 0.918 0.001 . 9 . . . . 110 LEU QD2 . 16271 1 1279 . 1 1 110 110 LEU HD22 H 1 0.918 0.001 . 9 . . . . 110 LEU QD2 . 16271 1 1280 . 1 1 110 110 LEU HD23 H 1 0.918 0.001 . 9 . . . . 110 LEU QD2 . 16271 1 1281 . 1 1 110 110 LEU HG H 1 1.895 0.002 . 9 . . . . 110 LEU HG . 16271 1 1282 . 1 1 110 110 LEU CA C 13 58.408 0.059 . 9 . . . . 110 LEU CA . 16271 1 1283 . 1 1 110 110 LEU CB C 13 41.149 0.021 . 9 . . . . 110 LEU CB . 16271 1 1284 . 1 1 110 110 LEU CD1 C 13 22.754 0.053 . 9 . . . . 110 LEU CD1 . 16271 1 1285 . 1 1 110 110 LEU CD2 C 13 24.959 0.061 . 9 . . . . 110 LEU CD2 . 16271 1 1286 . 1 1 110 110 LEU CG C 13 27.125 0.041 . 9 . . . . 110 LEU CG . 16271 1 1287 . 1 1 110 110 LEU N N 15 118.646 0.038 . 9 . . . . 110 LEU N . 16271 1 1288 . 1 1 111 111 LYS H H 1 7.939 0.011 . 9 . . . . 111 LYS H . 16271 1 1289 . 1 1 111 111 LYS HA H 1 4.055 0.005 . 9 . . . . 111 LYS HA . 16271 1 1290 . 1 1 111 111 LYS HB2 H 1 1.921 0.007 . 9 . . . . 111 LYS QB . 16271 1 1291 . 1 1 111 111 LYS HB3 H 1 1.921 0.007 . 9 . . . . 111 LYS QB . 16271 1 1292 . 1 1 111 111 LYS HD2 H 1 1.682 0.004 . 9 . . . . 111 LYS QD . 16271 1 1293 . 1 1 111 111 LYS HD3 H 1 1.682 0.004 . 9 . . . . 111 LYS QD . 16271 1 1294 . 1 1 111 111 LYS HE2 H 1 2.950 0.008 . 9 . . . . 111 LYS QE . 16271 1 1295 . 1 1 111 111 LYS HE3 H 1 2.950 0.008 . 9 . . . . 111 LYS QE . 16271 1 1296 . 1 1 111 111 LYS HG2 H 1 1.625 0.005 . 9 . . . . 111 LYS HG2 . 16271 1 1297 . 1 1 111 111 LYS HG3 H 1 1.452 0.005 . 9 . . . . 111 LYS HG3 . 16271 1 1298 . 1 1 111 111 LYS CA C 13 59.578 0.094 . 9 . . . . 111 LYS CA . 16271 1 1299 . 1 1 111 111 LYS CB C 13 32.647 0.022 . 9 . . . . 111 LYS CB . 16271 1 1300 . 1 1 111 111 LYS CD C 13 29.157 0.007 . 9 . . . . 111 LYS CD . 16271 1 1301 . 1 1 111 111 LYS CE C 13 42.091 0.000 . 9 . . . . 111 LYS CE . 16271 1 1302 . 1 1 111 111 LYS CG C 13 25.462 0.046 . 9 . . . . 111 LYS CG . 16271 1 1303 . 1 1 111 111 LYS N N 15 120.116 0.028 . 9 . . . . 111 LYS N . 16271 1 1304 . 1 1 112 112 PHE H H 1 8.202 0.004 . 9 . . . . 112 PHE H . 16271 1 1305 . 1 1 112 112 PHE HA H 1 3.972 0.009 . 9 . . . . 112 PHE HA . 16271 1 1306 . 1 1 112 112 PHE HB2 H 1 3.049 0.004 . 9 . . . . 112 PHE HB2 . 16271 1 1307 . 1 1 112 112 PHE HB3 H 1 3.135 0.004 . 9 . . . . 112 PHE HB3 . 16271 1 1308 . 1 1 112 112 PHE HD1 H 1 6.801 0.007 . 9 . . . . 112 PHE QD . 16271 1 1309 . 1 1 112 112 PHE HD2 H 1 6.801 0.007 . 9 . . . . 112 PHE QD . 16271 1 1310 . 1 1 112 112 PHE HE1 H 1 6.840 0.009 . 9 . . . . 112 PHE QE . 16271 1 1311 . 1 1 112 112 PHE HE2 H 1 6.840 0.009 . 9 . . . . 112 PHE QE . 16271 1 1312 . 1 1 112 112 PHE HZ H 1 6.665 0.004 . 9 . . . . 112 PHE HZ . 16271 1 1313 . 1 1 112 112 PHE CA C 13 62.090 0.037 . 9 . . . . 112 PHE CA . 16271 1 1314 . 1 1 112 112 PHE CB C 13 39.900 0.005 . 9 . . . . 112 PHE CB . 16271 1 1315 . 1 1 112 112 PHE CD1 C 13 131.158 0.083 . 9 . . . . 112 PHE CD1 . 16271 1 1316 . 1 1 112 112 PHE CE1 C 13 130.925 0.000 . 9 . . . . 112 PHE CE1 . 16271 1 1317 . 1 1 112 112 PHE CZ C 13 129.117 0.043 . 9 . . . . 112 PHE CZ . 16271 1 1318 . 1 1 112 112 PHE N N 15 121.897 0.021 . 9 . . . . 112 PHE N . 16271 1 1319 . 1 1 113 113 LEU H H 1 8.771 0.004 . 9 . . . . 113 LEU H . 16271 1 1320 . 1 1 113 113 LEU HA H 1 3.744 0.005 . 9 . . . . 113 LEU HA . 16271 1 1321 . 1 1 113 113 LEU HB2 H 1 1.551 0.011 . 9 . . . . 113 LEU HB2 . 16271 1 1322 . 1 1 113 113 LEU HB3 H 1 1.858 0.003 . 9 . . . . 113 LEU HB3 . 16271 1 1323 . 1 1 113 113 LEU HD11 H 1 0.836 0.004 . 9 . . . . 113 LEU QD1 . 16271 1 1324 . 1 1 113 113 LEU HD12 H 1 0.836 0.004 . 9 . . . . 113 LEU QD1 . 16271 1 1325 . 1 1 113 113 LEU HD13 H 1 0.836 0.004 . 9 . . . . 113 LEU QD1 . 16271 1 1326 . 1 1 113 113 LEU HD21 H 1 0.859 0.005 . 9 . . . . 113 LEU QD2 . 16271 1 1327 . 1 1 113 113 LEU HD22 H 1 0.859 0.005 . 9 . . . . 113 LEU QD2 . 16271 1 1328 . 1 1 113 113 LEU HD23 H 1 0.859 0.005 . 9 . . . . 113 LEU QD2 . 16271 1 1329 . 1 1 113 113 LEU HG H 1 1.916 0.011 . 9 . . . . 113 LEU HG . 16271 1 1330 . 1 1 113 113 LEU CA C 13 58.089 0.076 . 9 . . . . 113 LEU CA . 16271 1 1331 . 1 1 113 113 LEU CB C 13 41.403 0.018 . 9 . . . . 113 LEU CB . 16271 1 1332 . 1 1 113 113 LEU CD1 C 13 23.520 0.059 . 9 . . . . 113 LEU CD1 . 16271 1 1333 . 1 1 113 113 LEU CD2 C 13 25.914 0.043 . 9 . . . . 113 LEU CD2 . 16271 1 1334 . 1 1 113 113 LEU CG C 13 27.300 0.010 . 9 . . . . 113 LEU CG . 16271 1 1335 . 1 1 113 113 LEU N N 15 118.482 0.030 . 9 . . . . 113 LEU N . 16271 1 1336 . 1 1 114 114 SER H H 1 8.021 0.005 . 9 . . . . 114 SER H . 16271 1 1337 . 1 1 114 114 SER HA H 1 4.109 0.013 . 9 . . . . 114 SER HA . 16271 1 1338 . 1 1 114 114 SER HB2 H 1 3.898 0.002 . 9 . . . . 114 SER HB2 . 16271 1 1339 . 1 1 114 114 SER HB3 H 1 3.960 0.004 . 9 . . . . 114 SER HB3 . 16271 1 1340 . 1 1 114 114 SER CA C 13 61.913 0.104 . 9 . . . . 114 SER CA . 16271 1 1341 . 1 1 114 114 SER CB C 13 62.671 0.142 . 9 . . . . 114 SER CB . 16271 1 1342 . 1 1 114 114 SER N N 15 113.421 0.046 . 9 . . . . 114 SER N . 16271 1 1343 . 1 1 115 115 ALA H H 1 7.436 0.003 . 9 . . . . 115 ALA H . 16271 1 1344 . 1 1 115 115 ALA HA H 1 4.027 0.005 . 9 . . . . 115 ALA HA . 16271 1 1345 . 1 1 115 115 ALA HB1 H 1 1.211 0.001 . 9 . . . . 115 ALA QB . 16271 1 1346 . 1 1 115 115 ALA HB2 H 1 1.211 0.001 . 9 . . . . 115 ALA QB . 16271 1 1347 . 1 1 115 115 ALA HB3 H 1 1.211 0.001 . 9 . . . . 115 ALA QB . 16271 1 1348 . 1 1 115 115 ALA CA C 13 54.820 0.040 . 9 . . . . 115 ALA CA . 16271 1 1349 . 1 1 115 115 ALA CB C 13 17.569 0.049 . 9 . . . . 115 ALA CB . 16271 1 1350 . 1 1 115 115 ALA N N 15 125.386 0.019 . 9 . . . . 115 ALA N . 16271 1 1351 . 1 1 116 116 VAL H H 1 8.083 0.010 . 9 . . . . 116 VAL H . 16271 1 1352 . 1 1 116 116 VAL HA H 1 3.126 0.004 . 9 . . . . 116 VAL HA . 16271 1 1353 . 1 1 116 116 VAL HB H 1 1.884 0.008 . 9 . . . . 116 VAL HB . 16271 1 1354 . 1 1 116 116 VAL HG11 H 1 0.914 0.003 . 9 . . . . 116 VAL QG1 . 16271 1 1355 . 1 1 116 116 VAL HG12 H 1 0.914 0.003 . 9 . . . . 116 VAL QG1 . 16271 1 1356 . 1 1 116 116 VAL HG13 H 1 0.914 0.003 . 9 . . . . 116 VAL QG1 . 16271 1 1357 . 1 1 116 116 VAL HG21 H 1 0.316 0.003 . 9 . . . . 116 VAL QG2 . 16271 1 1358 . 1 1 116 116 VAL HG22 H 1 0.316 0.003 . 9 . . . . 116 VAL QG2 . 16271 1 1359 . 1 1 116 116 VAL HG23 H 1 0.316 0.003 . 9 . . . . 116 VAL QG2 . 16271 1 1360 . 1 1 116 116 VAL CA C 13 66.641 0.033 . 9 . . . . 116 VAL CA . 16271 1 1361 . 1 1 116 116 VAL CB C 13 31.598 0.054 . 9 . . . . 116 VAL CB . 16271 1 1362 . 1 1 116 116 VAL CG1 C 13 22.173 0.045 . 9 . . . . 116 VAL CG1 . 16271 1 1363 . 1 1 116 116 VAL CG2 C 13 23.291 0.028 . 9 . . . . 116 VAL CG2 . 16271 1 1364 . 1 1 116 116 VAL N N 15 120.046 0.027 . 9 . . . . 116 VAL N . 16271 1 1365 . 1 1 117 117 LEU H H 1 8.243 0.006 . 9 . . . . 117 LEU H . 16271 1 1366 . 1 1 117 117 LEU HA H 1 4.132 0.009 . 9 . . . . 117 LEU HA . 16271 1 1367 . 1 1 117 117 LEU HB2 H 1 1.602 0.002 . 9 . . . . 117 LEU HB2 . 16271 1 1368 . 1 1 117 117 LEU HB3 H 1 1.735 0.005 . 9 . . . . 117 LEU HB3 . 16271 1 1369 . 1 1 117 117 LEU HD11 H 1 0.909 0.004 . 9 . . . . 117 LEU QD1 . 16271 1 1370 . 1 1 117 117 LEU HD12 H 1 0.909 0.004 . 9 . . . . 117 LEU QD1 . 16271 1 1371 . 1 1 117 117 LEU HD13 H 1 0.909 0.004 . 9 . . . . 117 LEU QD1 . 16271 1 1372 . 1 1 117 117 LEU HD21 H 1 0.911 0.005 . 9 . . . . 117 LEU QD2 . 16271 1 1373 . 1 1 117 117 LEU HD22 H 1 0.911 0.005 . 9 . . . . 117 LEU QD2 . 16271 1 1374 . 1 1 117 117 LEU HD23 H 1 0.911 0.005 . 9 . . . . 117 LEU QD2 . 16271 1 1375 . 1 1 117 117 LEU HG H 1 1.687 0.001 . 9 . . . . 117 LEU HG . 16271 1 1376 . 1 1 117 117 LEU CA C 13 57.814 0.038 . 9 . . . . 117 LEU CA . 16271 1 1377 . 1 1 117 117 LEU CB C 13 41.205 0.015 . 9 . . . . 117 LEU CB . 16271 1 1378 . 1 1 117 117 LEU CD1 C 13 24.052 0.031 . 9 . . . . 117 LEU CD1 . 16271 1 1379 . 1 1 117 117 LEU CD2 C 13 24.082 0.035 . 9 . . . . 117 LEU CD2 . 16271 1 1380 . 1 1 117 117 LEU CG C 13 27.255 0.060 . 9 . . . . 117 LEU CG . 16271 1 1381 . 1 1 117 117 LEU N N 15 120.006 0.017 . 9 . . . . 117 LEU N . 16271 1 1382 . 1 1 118 118 ALA H H 1 7.617 0.005 . 9 . . . . 118 ALA H . 16271 1 1383 . 1 1 118 118 ALA HA H 1 3.951 0.007 . 9 . . . . 118 ALA HA . 16271 1 1384 . 1 1 118 118 ALA HB1 H 1 1.344 0.003 . 9 . . . . 118 ALA QB . 16271 1 1385 . 1 1 118 118 ALA HB2 H 1 1.344 0.003 . 9 . . . . 118 ALA QB . 16271 1 1386 . 1 1 118 118 ALA HB3 H 1 1.344 0.003 . 9 . . . . 118 ALA QB . 16271 1 1387 . 1 1 118 118 ALA CA C 13 54.836 0.074 . 9 . . . . 118 ALA CA . 16271 1 1388 . 1 1 118 118 ALA CB C 13 17.598 0.046 . 9 . . . . 118 ALA CB . 16271 1 1389 . 1 1 118 118 ALA N N 15 120.681 0.031 . 9 . . . . 118 ALA N . 16271 1 1390 . 1 1 119 119 ALA H H 1 7.461 0.004 . 9 . . . . 119 ALA H . 16271 1 1391 . 1 1 119 119 ALA HA H 1 3.315 0.007 . 9 . . . . 119 ALA HA . 16271 1 1392 . 1 1 119 119 ALA HB1 H 1 0.667 0.005 . 9 . . . . 119 ALA QB . 16271 1 1393 . 1 1 119 119 ALA HB2 H 1 0.667 0.005 . 9 . . . . 119 ALA QB . 16271 1 1394 . 1 1 119 119 ALA HB3 H 1 0.667 0.005 . 9 . . . . 119 ALA QB . 16271 1 1395 . 1 1 119 119 ALA CA C 13 54.534 0.054 . 9 . . . . 119 ALA CA . 16271 1 1396 . 1 1 119 119 ALA CB C 13 17.560 0.060 . 9 . . . . 119 ALA CB . 16271 1 1397 . 1 1 119 119 ALA N N 15 121.774 0.027 . 9 . . . . 119 ALA N . 16271 1 1398 . 1 1 120 120 GLN H H 1 8.024 0.004 . 9 . . . . 120 GLN H . 16271 1 1399 . 1 1 120 120 GLN HA H 1 3.699 0.005 . 9 . . . . 120 GLN HA . 16271 1 1400 . 1 1 120 120 GLN HB2 H 1 2.083 0.007 . 9 . . . . 120 GLN HB2 . 16271 1 1401 . 1 1 120 120 GLN HB3 H 1 2.188 0.006 . 9 . . . . 120 GLN HB3 . 16271 1 1402 . 1 1 120 120 GLN HE21 H 1 6.924 0.005 . 9 . . . . 120 GLN HE21 . 16271 1 1403 . 1 1 120 120 GLN HE22 H 1 7.369 0.006 . 9 . . . . 120 GLN HE22 . 16271 1 1404 . 1 1 120 120 GLN HG2 H 1 2.221 0.006 . 9 . . . . 120 GLN HG2 . 16271 1 1405 . 1 1 120 120 GLN HG3 H 1 2.396 0.004 . 9 . . . . 120 GLN HG3 . 16271 1 1406 . 1 1 120 120 GLN CA C 13 58.985 0.073 . 9 . . . . 120 GLN CA . 16271 1 1407 . 1 1 120 120 GLN CB C 13 29.628 0.041 . 9 . . . . 120 GLN CB . 16271 1 1408 . 1 1 120 120 GLN CG C 13 35.087 0.030 . 9 . . . . 120 GLN CG . 16271 1 1409 . 1 1 120 120 GLN N N 15 116.427 0.027 . 9 . . . . 120 GLN N . 16271 1 1410 . 1 1 120 120 GLN NE2 N 15 110.149 0.067 . 9 . . . . 120 GLN NE2 . 16271 1 1411 . 1 1 121 121 LYS H H 1 7.901 0.005 . 9 . . . . 121 LYS H . 16271 1 1412 . 1 1 121 121 LYS HA H 1 4.066 0.006 . 9 . . . . 121 LYS HA . 16271 1 1413 . 1 1 121 121 LYS HB2 H 1 1.869 0.009 . 9 . . . . 121 LYS HB2 . 16271 1 1414 . 1 1 121 121 LYS HB3 H 1 1.785 0.003 . 9 . . . . 121 LYS HB3 . 16271 1 1415 . 1 1 121 121 LYS HD2 H 1 1.618 0.005 . 9 . . . . 121 LYS QD . 16271 1 1416 . 1 1 121 121 LYS HD3 H 1 1.618 0.005 . 9 . . . . 121 LYS QD . 16271 1 1417 . 1 1 121 121 LYS HE2 H 1 2.916 0.007 . 9 . . . . 121 LYS QE . 16271 1 1418 . 1 1 121 121 LYS HE3 H 1 2.916 0.007 . 9 . . . . 121 LYS QE . 16271 1 1419 . 1 1 121 121 LYS HG2 H 1 1.518 0.008 . 9 . . . . 121 LYS HG2 . 16271 1 1420 . 1 1 121 121 LYS HG3 H 1 1.418 0.004 . 9 . . . . 121 LYS HG3 . 16271 1 1421 . 1 1 121 121 LYS CA C 13 57.857 0.117 . 9 . . . . 121 LYS CA . 16271 1 1422 . 1 1 121 121 LYS CB C 13 32.435 0.036 . 9 . . . . 121 LYS CB . 16271 1 1423 . 1 1 121 121 LYS CD C 13 29.072 0.054 . 9 . . . . 121 LYS CD . 16271 1 1424 . 1 1 121 121 LYS CE C 13 42.100 0.008 . 9 . . . . 121 LYS CE . 16271 1 1425 . 1 1 121 121 LYS CG C 13 25.046 0.045 . 9 . . . . 121 LYS CG . 16271 1 1426 . 1 1 121 121 LYS N N 15 118.637 0.032 . 9 . . . . 121 LYS N . 16271 1 1427 . 1 1 122 122 ALA H H 1 7.519 0.004 . 9 . . . . 122 ALA H . 16271 1 1428 . 1 1 122 122 ALA HA H 1 4.230 0.005 . 9 . . . . 122 ALA HA . 16271 1 1429 . 1 1 122 122 ALA HB1 H 1 1.485 0.004 . 9 . . . . 122 ALA QB . 16271 1 1430 . 1 1 122 122 ALA HB2 H 1 1.485 0.004 . 9 . . . . 122 ALA QB . 16271 1 1431 . 1 1 122 122 ALA HB3 H 1 1.485 0.004 . 9 . . . . 122 ALA QB . 16271 1 1432 . 1 1 122 122 ALA CA C 13 53.349 0.066 . 9 . . . . 122 ALA CA . 16271 1 1433 . 1 1 122 122 ALA CB C 13 18.771 0.037 . 9 . . . . 122 ALA CB . 16271 1 1434 . 1 1 122 122 ALA N N 15 121.618 0.020 . 9 . . . . 122 ALA N . 16271 1 1435 . 1 1 123 123 GLN H H 1 7.702 0.005 . 9 . . . . 123 GLN H . 16271 1 1436 . 1 1 123 123 GLN HA H 1 4.453 0.008 . 9 . . . . 123 GLN HA . 16271 1 1437 . 1 1 123 123 GLN HB2 H 1 2.042 0.004 . 9 . . . . 123 GLN HB2 . 16271 1 1438 . 1 1 123 123 GLN HB3 H 1 2.225 0.006 . 9 . . . . 123 GLN HB3 . 16271 1 1439 . 1 1 123 123 GLN HE21 H 1 6.942 0.004 . 9 . . . . 123 GLN HE21 . 16271 1 1440 . 1 1 123 123 GLN HE22 H 1 7.608 0.003 . 9 . . . . 123 GLN HE22 . 16271 1 1441 . 1 1 123 123 GLN HG2 H 1 2.411 0.008 . 9 . . . . 123 GLN HG2 . 16271 1 1442 . 1 1 123 123 GLN HG3 H 1 2.502 0.004 . 9 . . . . 123 GLN HG3 . 16271 1 1443 . 1 1 123 123 GLN CA C 13 55.458 0.035 . 9 . . . . 123 GLN CA . 16271 1 1444 . 1 1 123 123 GLN CB C 13 29.622 0.026 . 9 . . . . 123 GLN CB . 16271 1 1445 . 1 1 123 123 GLN CG C 13 33.950 0.048 . 9 . . . . 123 GLN CG . 16271 1 1446 . 1 1 123 123 GLN N N 15 117.433 0.022 . 9 . . . . 123 GLN N . 16271 1 1447 . 1 1 123 123 GLN NE2 N 15 112.446 0.044 . 9 . . . . 123 GLN NE2 . 16271 1 1448 . 1 1 124 124 SER H H 1 7.788 0.002 . 9 . . . . 124 SER H . 16271 1 1449 . 1 1 124 124 SER HA H 1 4.255 0.005 . 9 . . . . 124 SER HA . 16271 1 1450 . 1 1 124 124 SER HB2 H 1 3.860 0.003 . 9 . . . . 124 SER QB . 16271 1 1451 . 1 1 124 124 SER HB3 H 1 3.860 0.003 . 9 . . . . 124 SER QB . 16271 1 1452 . 1 1 124 124 SER CA C 13 60.278 0.031 . 9 . . . . 124 SER CA . 16271 1 1453 . 1 1 124 124 SER CB C 13 64.977 0.024 . 9 . . . . 124 SER CB . 16271 1 1454 . 1 1 124 124 SER N N 15 122.251 0.018 . 9 . . . . 124 SER N . 16271 1 stop_ save_