data_6542 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6542 _Entry.Title ; Main Chain 1H, 13C, and 15N chemical shift assignments for arginine kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-09 _Entry.Accession_date 2005-03-09 _Entry.Last_release_date 2005-07-26 _Entry.Original_release_date 2005-07-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Omar Davulcu . . . 6542 2 Shawn Clark . A. . 6542 3 Michael Chapman . S. . 6542 4 Jack Skalicky . J. . 6542 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Florida State University' . 6542 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6542 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 662 6542 '15N chemical shifts' 328 6542 '1H chemical shifts' 328 6542 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-07-26 2005-03-09 original author . 6542 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6542 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Main chain 1H, 13C, and 15N resonance assignments of the 42-kDa enzyme arginine kinase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 2 _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 178 _Citation.Page_last 178 _Citation.Year 2005 _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 Omar Davulcu . . . 6542 1 2 Shawn Clark . A. . 6542 1 3 Michael Chapman . S. . 6542 1 4 Jack Skalicky . J. . 6542 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6542 _Assembly.ID 1 _Assembly.Name 'Arginine kinase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 42000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Arginine kinase from Limulus polyphemus' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6542 1 stop_ 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 Arginine_kinsae_polypeptide 1 $Arginine_kinsae_polypeptide . . yes native no no . . . 6542 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Energy buffering' 6542 1 'Phosphoryl transfer between MgATP and arginine' 6542 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Arginine_kinsae_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode Arginine_kinsae_polypeptide _Entity.Entry_ID 6542 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Arginine kinase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVDQATLDKLEAGFKKLQEA SDCKSLLKKHLTKDVFDSIK NKKTGMGATLLDVIQSGVEN LDSGVGIYAPDAESYRTFGP LFDPIIDDYHGGFKLTDKHP PKEWGDINTLVDLDPGGQFI ISTRVRCGRSLQGYPFNPCL TAEQYKEMEEKVSSTLSSME DELKGTYYPLTGMSKATQQQ LIDDHFLFKEGDRFLQTANA CRYWPTGRGIFHNDAKTFLV WVNEEDHLRIISMQKGGDLK TVYKRLVTAVDNIESKLPFS HDDRFGFLTFCPTNLGTTMR ASVHIQLPKLAKDRKVLEDI ASKFNLQVRGTRGEHTESEG GVYDISNKRRLGLTEYQAVR EMQDGILEMIKMEKAAA ; _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 357 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 42000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19208 . Arginine_kinase . . . . . 100.00 357 100.00 100.00 0.00e+00 . . . . 6542 1 2 no PDB 1BG0 . "Transition State Structure Of Arginine Kinase" . . . . . 99.72 356 99.16 99.44 0.00e+00 . . . . 6542 1 3 no PDB 1M15 . "Transition State Structure Of Arginine Kinase" . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 6542 1 4 no PDB 1P50 . "Transition State Structure Of An Arginine Kinase Mutant" . . . . . 99.72 356 98.88 99.44 0.00e+00 . . . . 6542 1 5 no PDB 1P52 . "Structure Of Arginine Kinase E314d Mutant" . . . . . 100.00 357 99.16 99.72 0.00e+00 . . . . 6542 1 6 no PDB 1RL9 . "Crystal Structure Of Creatine-adp Arginine Kinase Ternary Complex" . . . . . 100.00 357 99.72 99.72 0.00e+00 . . . . 6542 1 7 no PDB 1SD0 . "Structure Of Arginine Kinase C271a Mutant" . . . . . 100.00 357 98.60 99.16 0.00e+00 . . . . 6542 1 8 no PDB 3M10 . "Substrate-Free Form Of Arginine Kinase" . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 6542 1 9 no PDB 4GVY . "Crystal Structure Of Arginine Kinase In Complex With L-Citrulline And Mgadp" . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 6542 1 10 no PDB 4GVZ . "Crystal Structure Of Arginine Kinase In Complex With D-Arginine, Mgadp, And Nitrate." . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 6542 1 11 no PDB 4GW0 . "Crystal Structure Of Arginine Kinase In Complex With Imino-L- Ornithine, Mgadp, And Nitrate." . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 6542 1 12 no PDB 4GW2 . "Crystal Structure Of Arginine Kinase In Complex With L-Ornithine, Mgadp, And Nitrate" . . . . . 100.00 357 99.16 99.44 0.00e+00 . . . . 6542 1 13 no GB AAA82169 . "arginine kinase [Limulus polyphemus]" . . . . . 100.00 357 100.00 100.00 0.00e+00 . . . . 6542 1 14 no PRF 2104180A . "Arg kinase" . . . . . 100.00 357 100.00 100.00 0.00e+00 . . . . 6542 1 15 no SP P51541 . "RecName: Full=Arginine kinase; Short=AK [Limulus polyphemus]" . . . . . 100.00 357 100.00 100.00 0.00e+00 . . . . 6542 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6542 1 2 . VAL . 6542 1 3 . ASP . 6542 1 4 . GLN . 6542 1 5 . ALA . 6542 1 6 . THR . 6542 1 7 . LEU . 6542 1 8 . ASP . 6542 1 9 . LYS . 6542 1 10 . LEU . 6542 1 11 . GLU . 6542 1 12 . ALA . 6542 1 13 . GLY . 6542 1 14 . PHE . 6542 1 15 . LYS . 6542 1 16 . LYS . 6542 1 17 . LEU . 6542 1 18 . GLN . 6542 1 19 . GLU . 6542 1 20 . ALA . 6542 1 21 . SER . 6542 1 22 . ASP . 6542 1 23 . CYS . 6542 1 24 . LYS . 6542 1 25 . SER . 6542 1 26 . LEU . 6542 1 27 . LEU . 6542 1 28 . LYS . 6542 1 29 . LYS . 6542 1 30 . HIS . 6542 1 31 . LEU . 6542 1 32 . THR . 6542 1 33 . LYS . 6542 1 34 . ASP . 6542 1 35 . VAL . 6542 1 36 . PHE . 6542 1 37 . ASP . 6542 1 38 . SER . 6542 1 39 . ILE . 6542 1 40 . LYS . 6542 1 41 . ASN . 6542 1 42 . LYS . 6542 1 43 . LYS . 6542 1 44 . THR . 6542 1 45 . GLY . 6542 1 46 . MET . 6542 1 47 . GLY . 6542 1 48 . ALA . 6542 1 49 . THR . 6542 1 50 . LEU . 6542 1 51 . LEU . 6542 1 52 . ASP . 6542 1 53 . VAL . 6542 1 54 . ILE . 6542 1 55 . GLN . 6542 1 56 . SER . 6542 1 57 . GLY . 6542 1 58 . VAL . 6542 1 59 . GLU . 6542 1 60 . ASN . 6542 1 61 . LEU . 6542 1 62 . ASP . 6542 1 63 . SER . 6542 1 64 . GLY . 6542 1 65 . VAL . 6542 1 66 . GLY . 6542 1 67 . ILE . 6542 1 68 . TYR . 6542 1 69 . ALA . 6542 1 70 . PRO . 6542 1 71 . ASP . 6542 1 72 . ALA . 6542 1 73 . GLU . 6542 1 74 . SER . 6542 1 75 . TYR . 6542 1 76 . ARG . 6542 1 77 . THR . 6542 1 78 . PHE . 6542 1 79 . GLY . 6542 1 80 . PRO . 6542 1 81 . LEU . 6542 1 82 . PHE . 6542 1 83 . ASP . 6542 1 84 . PRO . 6542 1 85 . ILE . 6542 1 86 . ILE . 6542 1 87 . ASP . 6542 1 88 . ASP . 6542 1 89 . TYR . 6542 1 90 . HIS . 6542 1 91 . GLY . 6542 1 92 . GLY . 6542 1 93 . PHE . 6542 1 94 . LYS . 6542 1 95 . LEU . 6542 1 96 . THR . 6542 1 97 . ASP . 6542 1 98 . LYS . 6542 1 99 . HIS . 6542 1 100 . PRO . 6542 1 101 . PRO . 6542 1 102 . LYS . 6542 1 103 . GLU . 6542 1 104 . TRP . 6542 1 105 . GLY . 6542 1 106 . ASP . 6542 1 107 . ILE . 6542 1 108 . ASN . 6542 1 109 . THR . 6542 1 110 . LEU . 6542 1 111 . VAL . 6542 1 112 . ASP . 6542 1 113 . LEU . 6542 1 114 . ASP . 6542 1 115 . PRO . 6542 1 116 . GLY . 6542 1 117 . GLY . 6542 1 118 . GLN . 6542 1 119 . PHE . 6542 1 120 . ILE . 6542 1 121 . ILE . 6542 1 122 . SER . 6542 1 123 . THR . 6542 1 124 . ARG . 6542 1 125 . VAL . 6542 1 126 . ARG . 6542 1 127 . CYS . 6542 1 128 . GLY . 6542 1 129 . ARG . 6542 1 130 . SER . 6542 1 131 . LEU . 6542 1 132 . GLN . 6542 1 133 . GLY . 6542 1 134 . TYR . 6542 1 135 . PRO . 6542 1 136 . PHE . 6542 1 137 . ASN . 6542 1 138 . PRO . 6542 1 139 . CYS . 6542 1 140 . LEU . 6542 1 141 . THR . 6542 1 142 . ALA . 6542 1 143 . GLU . 6542 1 144 . GLN . 6542 1 145 . TYR . 6542 1 146 . LYS . 6542 1 147 . GLU . 6542 1 148 . MET . 6542 1 149 . GLU . 6542 1 150 . GLU . 6542 1 151 . LYS . 6542 1 152 . VAL . 6542 1 153 . SER . 6542 1 154 . SER . 6542 1 155 . THR . 6542 1 156 . LEU . 6542 1 157 . SER . 6542 1 158 . SER . 6542 1 159 . MET . 6542 1 160 . GLU . 6542 1 161 . ASP . 6542 1 162 . GLU . 6542 1 163 . LEU . 6542 1 164 . LYS . 6542 1 165 . GLY . 6542 1 166 . THR . 6542 1 167 . TYR . 6542 1 168 . TYR . 6542 1 169 . PRO . 6542 1 170 . LEU . 6542 1 171 . THR . 6542 1 172 . GLY . 6542 1 173 . MET . 6542 1 174 . SER . 6542 1 175 . LYS . 6542 1 176 . ALA . 6542 1 177 . THR . 6542 1 178 . GLN . 6542 1 179 . GLN . 6542 1 180 . GLN . 6542 1 181 . LEU . 6542 1 182 . ILE . 6542 1 183 . ASP . 6542 1 184 . ASP . 6542 1 185 . HIS . 6542 1 186 . PHE . 6542 1 187 . LEU . 6542 1 188 . PHE . 6542 1 189 . LYS . 6542 1 190 . GLU . 6542 1 191 . GLY . 6542 1 192 . ASP . 6542 1 193 . ARG . 6542 1 194 . PHE . 6542 1 195 . LEU . 6542 1 196 . GLN . 6542 1 197 . THR . 6542 1 198 . ALA . 6542 1 199 . ASN . 6542 1 200 . ALA . 6542 1 201 . CYS . 6542 1 202 . ARG . 6542 1 203 . TYR . 6542 1 204 . TRP . 6542 1 205 . PRO . 6542 1 206 . THR . 6542 1 207 . GLY . 6542 1 208 . ARG . 6542 1 209 . GLY . 6542 1 210 . ILE . 6542 1 211 . PHE . 6542 1 212 . HIS . 6542 1 213 . ASN . 6542 1 214 . ASP . 6542 1 215 . ALA . 6542 1 216 . LYS . 6542 1 217 . THR . 6542 1 218 . PHE . 6542 1 219 . LEU . 6542 1 220 . VAL . 6542 1 221 . TRP . 6542 1 222 . VAL . 6542 1 223 . ASN . 6542 1 224 . GLU . 6542 1 225 . GLU . 6542 1 226 . ASP . 6542 1 227 . HIS . 6542 1 228 . LEU . 6542 1 229 . ARG . 6542 1 230 . ILE . 6542 1 231 . ILE . 6542 1 232 . SER . 6542 1 233 . MET . 6542 1 234 . GLN . 6542 1 235 . LYS . 6542 1 236 . GLY . 6542 1 237 . GLY . 6542 1 238 . ASP . 6542 1 239 . LEU . 6542 1 240 . LYS . 6542 1 241 . THR . 6542 1 242 . VAL . 6542 1 243 . TYR . 6542 1 244 . LYS . 6542 1 245 . ARG . 6542 1 246 . LEU . 6542 1 247 . VAL . 6542 1 248 . THR . 6542 1 249 . ALA . 6542 1 250 . VAL . 6542 1 251 . ASP . 6542 1 252 . ASN . 6542 1 253 . ILE . 6542 1 254 . GLU . 6542 1 255 . SER . 6542 1 256 . LYS . 6542 1 257 . LEU . 6542 1 258 . PRO . 6542 1 259 . PHE . 6542 1 260 . SER . 6542 1 261 . HIS . 6542 1 262 . ASP . 6542 1 263 . ASP . 6542 1 264 . ARG . 6542 1 265 . PHE . 6542 1 266 . GLY . 6542 1 267 . PHE . 6542 1 268 . LEU . 6542 1 269 . THR . 6542 1 270 . PHE . 6542 1 271 . CYS . 6542 1 272 . PRO . 6542 1 273 . THR . 6542 1 274 . ASN . 6542 1 275 . LEU . 6542 1 276 . GLY . 6542 1 277 . THR . 6542 1 278 . THR . 6542 1 279 . MET . 6542 1 280 . ARG . 6542 1 281 . ALA . 6542 1 282 . SER . 6542 1 283 . VAL . 6542 1 284 . HIS . 6542 1 285 . ILE . 6542 1 286 . GLN . 6542 1 287 . LEU . 6542 1 288 . PRO . 6542 1 289 . LYS . 6542 1 290 . LEU . 6542 1 291 . ALA . 6542 1 292 . LYS . 6542 1 293 . ASP . 6542 1 294 . ARG . 6542 1 295 . LYS . 6542 1 296 . VAL . 6542 1 297 . LEU . 6542 1 298 . GLU . 6542 1 299 . ASP . 6542 1 300 . ILE . 6542 1 301 . ALA . 6542 1 302 . SER . 6542 1 303 . LYS . 6542 1 304 . PHE . 6542 1 305 . ASN . 6542 1 306 . LEU . 6542 1 307 . GLN . 6542 1 308 . VAL . 6542 1 309 . ARG . 6542 1 310 . GLY . 6542 1 311 . THR . 6542 1 312 . ARG . 6542 1 313 . GLY . 6542 1 314 . GLU . 6542 1 315 . HIS . 6542 1 316 . THR . 6542 1 317 . GLU . 6542 1 318 . SER . 6542 1 319 . GLU . 6542 1 320 . GLY . 6542 1 321 . GLY . 6542 1 322 . VAL . 6542 1 323 . TYR . 6542 1 324 . ASP . 6542 1 325 . ILE . 6542 1 326 . SER . 6542 1 327 . ASN . 6542 1 328 . LYS . 6542 1 329 . ARG . 6542 1 330 . ARG . 6542 1 331 . LEU . 6542 1 332 . GLY . 6542 1 333 . LEU . 6542 1 334 . THR . 6542 1 335 . GLU . 6542 1 336 . TYR . 6542 1 337 . GLN . 6542 1 338 . ALA . 6542 1 339 . VAL . 6542 1 340 . ARG . 6542 1 341 . GLU . 6542 1 342 . MET . 6542 1 343 . GLN . 6542 1 344 . ASP . 6542 1 345 . GLY . 6542 1 346 . ILE . 6542 1 347 . LEU . 6542 1 348 . GLU . 6542 1 349 . MET . 6542 1 350 . ILE . 6542 1 351 . LYS . 6542 1 352 . MET . 6542 1 353 . GLU . 6542 1 354 . LYS . 6542 1 355 . ALA . 6542 1 356 . ALA . 6542 1 357 . ALA . 6542 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6542 1 . VAL 2 2 6542 1 . ASP 3 3 6542 1 . GLN 4 4 6542 1 . ALA 5 5 6542 1 . THR 6 6 6542 1 . LEU 7 7 6542 1 . ASP 8 8 6542 1 . LYS 9 9 6542 1 . LEU 10 10 6542 1 . GLU 11 11 6542 1 . ALA 12 12 6542 1 . GLY 13 13 6542 1 . PHE 14 14 6542 1 . LYS 15 15 6542 1 . LYS 16 16 6542 1 . LEU 17 17 6542 1 . GLN 18 18 6542 1 . GLU 19 19 6542 1 . ALA 20 20 6542 1 . SER 21 21 6542 1 . ASP 22 22 6542 1 . CYS 23 23 6542 1 . LYS 24 24 6542 1 . SER 25 25 6542 1 . LEU 26 26 6542 1 . LEU 27 27 6542 1 . LYS 28 28 6542 1 . LYS 29 29 6542 1 . HIS 30 30 6542 1 . LEU 31 31 6542 1 . THR 32 32 6542 1 . LYS 33 33 6542 1 . ASP 34 34 6542 1 . VAL 35 35 6542 1 . PHE 36 36 6542 1 . ASP 37 37 6542 1 . SER 38 38 6542 1 . ILE 39 39 6542 1 . LYS 40 40 6542 1 . ASN 41 41 6542 1 . LYS 42 42 6542 1 . LYS 43 43 6542 1 . THR 44 44 6542 1 . GLY 45 45 6542 1 . MET 46 46 6542 1 . GLY 47 47 6542 1 . ALA 48 48 6542 1 . THR 49 49 6542 1 . LEU 50 50 6542 1 . LEU 51 51 6542 1 . ASP 52 52 6542 1 . VAL 53 53 6542 1 . ILE 54 54 6542 1 . GLN 55 55 6542 1 . SER 56 56 6542 1 . GLY 57 57 6542 1 . VAL 58 58 6542 1 . GLU 59 59 6542 1 . ASN 60 60 6542 1 . LEU 61 61 6542 1 . ASP 62 62 6542 1 . SER 63 63 6542 1 . GLY 64 64 6542 1 . VAL 65 65 6542 1 . GLY 66 66 6542 1 . ILE 67 67 6542 1 . TYR 68 68 6542 1 . ALA 69 69 6542 1 . PRO 70 70 6542 1 . ASP 71 71 6542 1 . ALA 72 72 6542 1 . GLU 73 73 6542 1 . SER 74 74 6542 1 . TYR 75 75 6542 1 . ARG 76 76 6542 1 . THR 77 77 6542 1 . PHE 78 78 6542 1 . GLY 79 79 6542 1 . PRO 80 80 6542 1 . LEU 81 81 6542 1 . PHE 82 82 6542 1 . ASP 83 83 6542 1 . PRO 84 84 6542 1 . ILE 85 85 6542 1 . ILE 86 86 6542 1 . ASP 87 87 6542 1 . ASP 88 88 6542 1 . TYR 89 89 6542 1 . HIS 90 90 6542 1 . GLY 91 91 6542 1 . GLY 92 92 6542 1 . PHE 93 93 6542 1 . LYS 94 94 6542 1 . LEU 95 95 6542 1 . THR 96 96 6542 1 . ASP 97 97 6542 1 . LYS 98 98 6542 1 . HIS 99 99 6542 1 . PRO 100 100 6542 1 . PRO 101 101 6542 1 . LYS 102 102 6542 1 . GLU 103 103 6542 1 . TRP 104 104 6542 1 . GLY 105 105 6542 1 . ASP 106 106 6542 1 . ILE 107 107 6542 1 . ASN 108 108 6542 1 . THR 109 109 6542 1 . LEU 110 110 6542 1 . VAL 111 111 6542 1 . ASP 112 112 6542 1 . LEU 113 113 6542 1 . ASP 114 114 6542 1 . PRO 115 115 6542 1 . GLY 116 116 6542 1 . GLY 117 117 6542 1 . GLN 118 118 6542 1 . PHE 119 119 6542 1 . ILE 120 120 6542 1 . ILE 121 121 6542 1 . SER 122 122 6542 1 . THR 123 123 6542 1 . ARG 124 124 6542 1 . VAL 125 125 6542 1 . ARG 126 126 6542 1 . CYS 127 127 6542 1 . GLY 128 128 6542 1 . ARG 129 129 6542 1 . SER 130 130 6542 1 . LEU 131 131 6542 1 . GLN 132 132 6542 1 . GLY 133 133 6542 1 . TYR 134 134 6542 1 . PRO 135 135 6542 1 . PHE 136 136 6542 1 . ASN 137 137 6542 1 . PRO 138 138 6542 1 . CYS 139 139 6542 1 . LEU 140 140 6542 1 . THR 141 141 6542 1 . ALA 142 142 6542 1 . GLU 143 143 6542 1 . GLN 144 144 6542 1 . TYR 145 145 6542 1 . LYS 146 146 6542 1 . GLU 147 147 6542 1 . MET 148 148 6542 1 . GLU 149 149 6542 1 . GLU 150 150 6542 1 . LYS 151 151 6542 1 . VAL 152 152 6542 1 . SER 153 153 6542 1 . SER 154 154 6542 1 . THR 155 155 6542 1 . LEU 156 156 6542 1 . SER 157 157 6542 1 . SER 158 158 6542 1 . MET 159 159 6542 1 . GLU 160 160 6542 1 . ASP 161 161 6542 1 . GLU 162 162 6542 1 . LEU 163 163 6542 1 . LYS 164 164 6542 1 . GLY 165 165 6542 1 . THR 166 166 6542 1 . TYR 167 167 6542 1 . TYR 168 168 6542 1 . PRO 169 169 6542 1 . LEU 170 170 6542 1 . THR 171 171 6542 1 . GLY 172 172 6542 1 . MET 173 173 6542 1 . SER 174 174 6542 1 . LYS 175 175 6542 1 . ALA 176 176 6542 1 . THR 177 177 6542 1 . GLN 178 178 6542 1 . GLN 179 179 6542 1 . GLN 180 180 6542 1 . LEU 181 181 6542 1 . ILE 182 182 6542 1 . ASP 183 183 6542 1 . ASP 184 184 6542 1 . HIS 185 185 6542 1 . PHE 186 186 6542 1 . LEU 187 187 6542 1 . PHE 188 188 6542 1 . LYS 189 189 6542 1 . GLU 190 190 6542 1 . GLY 191 191 6542 1 . ASP 192 192 6542 1 . ARG 193 193 6542 1 . PHE 194 194 6542 1 . LEU 195 195 6542 1 . GLN 196 196 6542 1 . THR 197 197 6542 1 . ALA 198 198 6542 1 . ASN 199 199 6542 1 . ALA 200 200 6542 1 . CYS 201 201 6542 1 . ARG 202 202 6542 1 . TYR 203 203 6542 1 . TRP 204 204 6542 1 . PRO 205 205 6542 1 . THR 206 206 6542 1 . GLY 207 207 6542 1 . ARG 208 208 6542 1 . GLY 209 209 6542 1 . ILE 210 210 6542 1 . PHE 211 211 6542 1 . HIS 212 212 6542 1 . ASN 213 213 6542 1 . ASP 214 214 6542 1 . ALA 215 215 6542 1 . LYS 216 216 6542 1 . THR 217 217 6542 1 . PHE 218 218 6542 1 . LEU 219 219 6542 1 . VAL 220 220 6542 1 . TRP 221 221 6542 1 . VAL 222 222 6542 1 . ASN 223 223 6542 1 . GLU 224 224 6542 1 . GLU 225 225 6542 1 . ASP 226 226 6542 1 . HIS 227 227 6542 1 . LEU 228 228 6542 1 . ARG 229 229 6542 1 . ILE 230 230 6542 1 . ILE 231 231 6542 1 . SER 232 232 6542 1 . MET 233 233 6542 1 . GLN 234 234 6542 1 . LYS 235 235 6542 1 . GLY 236 236 6542 1 . GLY 237 237 6542 1 . ASP 238 238 6542 1 . LEU 239 239 6542 1 . LYS 240 240 6542 1 . THR 241 241 6542 1 . VAL 242 242 6542 1 . TYR 243 243 6542 1 . LYS 244 244 6542 1 . ARG 245 245 6542 1 . LEU 246 246 6542 1 . VAL 247 247 6542 1 . THR 248 248 6542 1 . ALA 249 249 6542 1 . VAL 250 250 6542 1 . ASP 251 251 6542 1 . ASN 252 252 6542 1 . ILE 253 253 6542 1 . GLU 254 254 6542 1 . SER 255 255 6542 1 . LYS 256 256 6542 1 . LEU 257 257 6542 1 . PRO 258 258 6542 1 . PHE 259 259 6542 1 . SER 260 260 6542 1 . HIS 261 261 6542 1 . ASP 262 262 6542 1 . ASP 263 263 6542 1 . ARG 264 264 6542 1 . PHE 265 265 6542 1 . GLY 266 266 6542 1 . PHE 267 267 6542 1 . LEU 268 268 6542 1 . THR 269 269 6542 1 . PHE 270 270 6542 1 . CYS 271 271 6542 1 . PRO 272 272 6542 1 . THR 273 273 6542 1 . ASN 274 274 6542 1 . LEU 275 275 6542 1 . GLY 276 276 6542 1 . THR 277 277 6542 1 . THR 278 278 6542 1 . MET 279 279 6542 1 . ARG 280 280 6542 1 . ALA 281 281 6542 1 . SER 282 282 6542 1 . VAL 283 283 6542 1 . HIS 284 284 6542 1 . ILE 285 285 6542 1 . GLN 286 286 6542 1 . LEU 287 287 6542 1 . PRO 288 288 6542 1 . LYS 289 289 6542 1 . LEU 290 290 6542 1 . ALA 291 291 6542 1 . LYS 292 292 6542 1 . ASP 293 293 6542 1 . ARG 294 294 6542 1 . LYS 295 295 6542 1 . VAL 296 296 6542 1 . LEU 297 297 6542 1 . GLU 298 298 6542 1 . ASP 299 299 6542 1 . ILE 300 300 6542 1 . ALA 301 301 6542 1 . SER 302 302 6542 1 . LYS 303 303 6542 1 . PHE 304 304 6542 1 . ASN 305 305 6542 1 . LEU 306 306 6542 1 . GLN 307 307 6542 1 . VAL 308 308 6542 1 . ARG 309 309 6542 1 . GLY 310 310 6542 1 . THR 311 311 6542 1 . ARG 312 312 6542 1 . GLY 313 313 6542 1 . GLU 314 314 6542 1 . HIS 315 315 6542 1 . THR 316 316 6542 1 . GLU 317 317 6542 1 . SER 318 318 6542 1 . GLU 319 319 6542 1 . GLY 320 320 6542 1 . GLY 321 321 6542 1 . VAL 322 322 6542 1 . TYR 323 323 6542 1 . ASP 324 324 6542 1 . ILE 325 325 6542 1 . SER 326 326 6542 1 . ASN 327 327 6542 1 . LYS 328 328 6542 1 . ARG 329 329 6542 1 . ARG 330 330 6542 1 . LEU 331 331 6542 1 . GLY 332 332 6542 1 . LEU 333 333 6542 1 . THR 334 334 6542 1 . GLU 335 335 6542 1 . TYR 336 336 6542 1 . GLN 337 337 6542 1 . ALA 338 338 6542 1 . VAL 339 339 6542 1 . ARG 340 340 6542 1 . GLU 341 341 6542 1 . MET 342 342 6542 1 . GLN 343 343 6542 1 . ASP 344 344 6542 1 . GLY 345 345 6542 1 . ILE 346 346 6542 1 . LEU 347 347 6542 1 . GLU 348 348 6542 1 . MET 349 349 6542 1 . ILE 350 350 6542 1 . LYS 351 351 6542 1 . MET 352 352 6542 1 . GLU 353 353 6542 1 . LYS 354 354 6542 1 . ALA 355 355 6542 1 . ALA 356 356 6542 1 . ALA 357 357 6542 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 6542 _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 $Arginine_kinsae_polypeptide . 6850 organism . 'Limulus polyphemus' 'Horseshoe crab' . . Eukaryota Metazoa Limulus polyphemus . . . . . . . . . . . . . . . . . . . . . 6542 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 6542 _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 $Arginine_kinsae_polypeptide . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6542 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6542 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Long term NMR solution conditions for 25 deg C, pH=6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Arginine kinase' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Arginine_kinsae_polypeptide . protein 1.4 . . mM . . . . 6542 1 2 'Citric Acid' '[U-98% 2,2,4,4 2H]' . . . . . buffer 10 . . mM . . . . 6542 1 3 DTT . . . . . . 'reducing agent' 0.5 . . mM . . . . 6542 1 4 'Potassium Chloride' . . . . . . salt 50 . . mM . . . . 6542 1 5 'Sodium Azide' . . . . . . 'antimicrobial agent' 50 . . uM . . . . 6542 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6542 _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 6.5 0.2 pH 6542 1 temperature 298 0.5 K 6542 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_720MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 720MHz_spectrometer _NMR_spectrometer.Entry_ID 6542 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '720 MHz spectrometer at NHMFL in Tallahassee, FL' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model InovaUNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '720 MHz' save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6542 _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 1H15N_TROSY no 1 $1H15N_TROSY . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $720MHz_spectrometer . . . . . . . . . . . . . . . . 6542 1 stop_ save_ save_1H15N_TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_TROSY _NMR_spec_expt.Entry_ID 6542 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_TROSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $720MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6542 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6542 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6542 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6542 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6542 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . 1H15N_TROSY 1 $sample_1 isotropic 6542 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 2 2 VAL CA C 13 61.190 0.200 . 1 . . . . 2 . CA . 6542 1 2 . 1 1 2 2 VAL CB C 13 33.000 0.200 . 1 . . . . 2 . CB . 6542 1 3 . 1 1 3 3 ASP H H 1 8.150 0.010 . 1 . . . . 3 . H . 6542 1 4 . 1 1 3 3 ASP CA C 13 53.550 0.200 . 1 . . . . 3 . CA . 6542 1 5 . 1 1 3 3 ASP CB C 13 41.180 0.200 . 1 . . . . 3 . CB . 6542 1 6 . 1 1 3 3 ASP N N 15 123.000 0.050 . 1 . . . . 3 . N . 6542 1 7 . 1 1 4 4 GLN H H 1 8.640 0.010 . 1 . . . . 4 . H . 6542 1 8 . 1 1 4 4 GLN CA C 13 58.090 0.200 . 1 . . . . 4 . CA . 6542 1 9 . 1 1 4 4 GLN CB C 13 27.950 0.200 . 1 . . . . 4 . CB . 6542 1 10 . 1 1 4 4 GLN N N 15 121.200 0.050 . 1 . . . . 4 . N . 6542 1 11 . 1 1 5 5 ALA H H 1 8.360 0.010 . 1 . . . . 5 . H . 6542 1 12 . 1 1 5 5 ALA CA C 13 54.910 0.200 . 1 . . . . 5 . CA . 6542 1 13 . 1 1 5 5 ALA CB C 13 16.980 0.200 . 1 . . . . 5 . CB . 6542 1 14 . 1 1 5 5 ALA N N 15 120.600 0.050 . 1 . . . . 5 . N . 6542 1 15 . 1 1 6 6 THR H H 1 7.840 0.010 . 1 . . . . 6 . H . 6542 1 16 . 1 1 6 6 THR CA C 13 66.440 0.200 . 1 . . . . 6 . CA . 6542 1 17 . 1 1 6 6 THR CB C 13 50.540 0.200 . 1 . . . . 6 . CB . 6542 1 18 . 1 1 6 6 THR N N 15 117.600 0.050 . 1 . . . . 6 . N . 6542 1 19 . 1 1 7 7 LEU H H 1 8.090 0.010 . 1 . . . . 7 . H . 6542 1 20 . 1 1 7 7 LEU CA C 13 58.220 0.200 . 1 . . . . 7 . CA . 6542 1 21 . 1 1 7 7 LEU CB C 13 40.140 0.200 . 1 . . . . 7 . CB . 6542 1 22 . 1 1 7 7 LEU N N 15 123.600 0.050 . 1 . . . . 7 . N . 6542 1 23 . 1 1 8 8 ASP H H 1 8.980 0.010 . 1 . . . . 8 . H . 6542 1 24 . 1 1 8 8 ASP CA C 13 57.290 0.200 . 1 . . . . 8 . CA . 6542 1 25 . 1 1 8 8 ASP CB C 13 39.210 0.200 . 1 . . . . 8 . CB . 6542 1 26 . 1 1 8 8 ASP N N 15 120.000 0.050 . 1 . . . . 8 . N . 6542 1 27 . 1 1 9 9 LYS H H 1 7.710 0.010 . 1 . . . . 9 . H . 6542 1 28 . 1 1 9 9 LYS CA C 13 59.210 0.200 . 1 . . . . 9 . CA . 6542 1 29 . 1 1 9 9 LYS CB C 13 32.330 0.200 . 1 . . . . 9 . CB . 6542 1 30 . 1 1 9 9 LYS N N 15 122.000 0.050 . 1 . . . . 9 . N . 6542 1 31 . 1 1 10 10 LEU H H 1 8.710 0.010 . 1 . . . . 10 . H . 6542 1 32 . 1 1 10 10 LEU CA C 13 57.860 0.200 . 1 . . . . 10 . CA . 6542 1 33 . 1 1 10 10 LEU CB C 13 41.510 0.200 . 1 . . . . 10 . CB . 6542 1 34 . 1 1 10 10 LEU N N 15 123.700 0.050 . 1 . . . . 10 . N . 6542 1 35 . 1 1 11 11 GLU H H 1 9.010 0.010 . 1 . . . . 11 . H . 6542 1 36 . 1 1 11 11 GLU CA C 13 59.040 0.200 . 1 . . . . 11 . CA . 6542 1 37 . 1 1 11 11 GLU CB C 13 28.000 0.200 . 1 . . . . 11 . CB . 6542 1 38 . 1 1 11 11 GLU N N 15 119.600 0.050 . 1 . . . . 11 . N . 6542 1 39 . 1 1 12 12 ALA H H 1 7.980 0.010 . 1 . . . . 12 . H . 6542 1 40 . 1 1 12 12 ALA CA C 13 54.530 0.200 . 1 . . . . 12 . CA . 6542 1 41 . 1 1 12 12 ALA CB C 13 17.160 0.200 . 1 . . . . 12 . CB . 6542 1 42 . 1 1 12 12 ALA N N 15 122.000 0.050 . 1 . . . . 12 . N . 6542 1 43 . 1 1 13 13 GLY H H 1 8.370 0.010 . 1 . . . . 13 . H . 6542 1 44 . 1 1 13 13 GLY CA C 13 47.200 0.200 . 1 . . . . 13 . CA . 6542 1 45 . 1 1 13 13 GLY N N 15 109.900 0.050 . 1 . . . . 13 . N . 6542 1 46 . 1 1 14 14 PHE H H 1 8.600 0.010 . 1 . . . . 14 . H . 6542 1 47 . 1 1 14 14 PHE CA C 13 61.660 0.200 . 1 . . . . 14 . CA . 6542 1 48 . 1 1 14 14 PHE CB C 13 38.340 0.200 . 1 . . . . 14 . CB . 6542 1 49 . 1 1 14 14 PHE N N 15 122.500 0.050 . 1 . . . . 14 . N . 6542 1 50 . 1 1 15 15 LYS H H 1 7.620 0.010 . 1 . . . . 15 . H . 6542 1 51 . 1 1 15 15 LYS CA C 13 59.190 0.200 . 1 . . . . 15 . CA . 6542 1 52 . 1 1 15 15 LYS CB C 13 31.730 0.200 . 1 . . . . 15 . CB . 6542 1 53 . 1 1 15 15 LYS N N 15 118.900 0.050 . 1 . . . . 15 . N . 6542 1 54 . 1 1 16 16 LYS H H 1 7.740 0.010 . 1 . . . . 16 . H . 6542 1 55 . 1 1 16 16 LYS CA C 13 58.960 0.200 . 1 . . . . 16 . CA . 6542 1 56 . 1 1 16 16 LYS CB C 13 31.830 0.200 . 1 . . . . 16 . CB . 6542 1 57 . 1 1 16 16 LYS N N 15 119.600 0.050 . 1 . . . . 16 . N . 6542 1 58 . 1 1 17 17 LEU H H 1 7.750 0.010 . 1 . . . . 17 . H . 6542 1 59 . 1 1 17 17 LEU CA C 13 57.350 0.200 . 1 . . . . 17 . CA . 6542 1 60 . 1 1 17 17 LEU CB C 13 41.520 0.200 . 1 . . . . 17 . CB . 6542 1 61 . 1 1 17 17 LEU N N 15 117.900 0.050 . 1 . . . . 17 . N . 6542 1 62 . 1 1 18 18 GLN H H 1 7.810 0.010 . 1 . . . . 18 . H . 6542 1 63 . 1 1 18 18 GLN CA C 13 57.680 0.200 . 1 . . . . 18 . CA . 6542 1 64 . 1 1 18 18 GLN CB C 13 27.530 0.200 . 1 . . . . 18 . CB . 6542 1 65 . 1 1 18 18 GLN N N 15 117.000 0.050 . 1 . . . . 18 . N . 6542 1 66 . 1 1 19 19 GLU H H 1 7.680 0.010 . 1 . . . . 19 . H . 6542 1 67 . 1 1 19 19 GLU CA C 13 56.310 0.200 . 1 . . . . 19 . CA . 6542 1 68 . 1 1 19 19 GLU CB C 13 29.000 0.200 . 1 . . . . 19 . CB . 6542 1 69 . 1 1 19 19 GLU N N 15 116.300 0.050 . 1 . . . . 19 . N . 6542 1 70 . 1 1 20 20 ALA H H 1 7.070 0.010 . 1 . . . . 20 . H . 6542 1 71 . 1 1 20 20 ALA CA C 13 50.900 0.200 . 1 . . . . 20 . CA . 6542 1 72 . 1 1 20 20 ALA CB C 13 17.570 0.200 . 1 . . . . 20 . CB . 6542 1 73 . 1 1 20 20 ALA N N 15 124.200 0.050 . 1 . . . . 20 . N . 6542 1 74 . 1 1 21 21 SER H H 1 8.110 0.010 . 1 . . . . 21 . H . 6542 1 75 . 1 1 21 21 SER CA C 13 57.790 0.200 . 1 . . . . 21 . CA . 6542 1 76 . 1 1 21 21 SER CB C 13 64.350 0.200 . 1 . . . . 21 . CB . 6542 1 77 . 1 1 21 21 SER N N 15 120.900 0.050 . 1 . . . . 21 . N . 6542 1 78 . 1 1 22 22 ASP H H 1 8.640 0.010 . 1 . . . . 22 . H . 6542 1 79 . 1 1 22 22 ASP CA C 13 53.890 0.200 . 1 . . . . 22 . CA . 6542 1 80 . 1 1 22 22 ASP CB C 13 38.980 0.200 . 1 . . . . 22 . CB . 6542 1 81 . 1 1 22 22 ASP N N 15 118.600 0.050 . 1 . . . . 22 . N . 6542 1 82 . 1 1 23 23 CYS H H 1 7.640 0.010 . 1 . . . . 23 . H . 6542 1 83 . 1 1 23 23 CYS CA C 13 56.980 0.200 . 1 . . . . 23 . CA . 6542 1 84 . 1 1 23 23 CYS CB C 13 27.300 0.200 . 1 . . . . 23 . CB . 6542 1 85 . 1 1 23 23 CYS N N 15 121.300 0.050 . 1 . . . . 23 . N . 6542 1 86 . 1 1 24 24 LYS H H 1 8.920 0.010 . 1 . . . . 24 . H . 6542 1 87 . 1 1 24 24 LYS CA C 13 54.610 0.200 . 1 . . . . 24 . CA . 6542 1 88 . 1 1 24 24 LYS CB C 13 31.650 0.200 . 1 . . . . 24 . CB . 6542 1 89 . 1 1 24 24 LYS N N 15 130.300 0.050 . 1 . . . . 24 . N . 6542 1 90 . 1 1 25 25 SER H H 1 7.800 0.010 . 1 . . . . 25 . H . 6542 1 91 . 1 1 25 25 SER CA C 13 57.150 0.200 . 1 . . . . 25 . CA . 6542 1 92 . 1 1 25 25 SER CB C 13 65.790 0.200 . 1 . . . . 25 . CB . 6542 1 93 . 1 1 25 25 SER N N 15 118.900 0.050 . 1 . . . . 25 . N . 6542 1 94 . 1 1 26 26 LEU H H 1 8.160 0.010 . 1 . . . . 26 . H . 6542 1 95 . 1 1 26 26 LEU CA C 13 57.310 0.200 . 1 . . . . 26 . CA . 6542 1 96 . 1 1 26 26 LEU CB C 13 40.660 0.200 . 1 . . . . 26 . CB . 6542 1 97 . 1 1 26 26 LEU N N 15 120.600 0.050 . 1 . . . . 26 . N . 6542 1 98 . 1 1 27 27 LEU H H 1 7.870 0.010 . 1 . . . . 27 . H . 6542 1 99 . 1 1 27 27 LEU CA C 13 58.190 0.200 . 1 . . . . 27 . CA . 6542 1 100 . 1 1 27 27 LEU CB C 13 40.220 0.200 . 1 . . . . 27 . CB . 6542 1 101 . 1 1 27 27 LEU N N 15 118.800 0.050 . 1 . . . . 27 . N . 6542 1 102 . 1 1 28 28 LYS H H 1 7.460 0.010 . 1 . . . . 28 . H . 6542 1 103 . 1 1 28 28 LYS CA C 13 58.190 0.200 . 1 . . . . 28 . CA . 6542 1 104 . 1 1 28 28 LYS CB C 13 31.650 0.200 . 1 . . . . 28 . CB . 6542 1 105 . 1 1 28 28 LYS N N 15 117.900 0.050 . 1 . . . . 28 . N . 6542 1 106 . 1 1 29 29 LYS H H 1 7.450 0.010 . 1 . . . . 29 . H . 6542 1 107 . 1 1 29 29 LYS CA C 13 58.650 0.200 . 1 . . . . 29 . CA . 6542 1 108 . 1 1 29 29 LYS CB C 13 33.070 0.200 . 1 . . . . 29 . CB . 6542 1 109 . 1 1 29 29 LYS N N 15 117.100 0.050 . 1 . . . . 29 . N . 6542 1 110 . 1 1 30 30 HIS H H 1 7.640 0.010 . 1 . . . . 30 . H . 6542 1 111 . 1 1 30 30 HIS CA C 13 56.910 0.200 . 1 . . . . 30 . CA . 6542 1 112 . 1 1 30 30 HIS CB C 13 31.930 0.200 . 1 . . . . 30 . CB . 6542 1 113 . 1 1 30 30 HIS N N 15 111.900 0.050 . 1 . . . . 30 . N . 6542 1 114 . 1 1 31 31 LEU H H 1 8.240 0.010 . 1 . . . . 31 . H . 6542 1 115 . 1 1 31 31 LEU CA C 13 52.770 0.200 . 1 . . . . 31 . CA . 6542 1 116 . 1 1 31 31 LEU CB C 13 38.170 0.200 . 1 . . . . 31 . CB . 6542 1 117 . 1 1 31 31 LEU N N 15 124.400 0.050 . 1 . . . . 31 . N . 6542 1 118 . 1 1 32 32 THR H H 1 7.280 0.010 . 1 . . . . 32 . H . 6542 1 119 . 1 1 32 32 THR CA C 13 60.190 0.200 . 1 . . . . 32 . CA . 6542 1 120 . 1 1 32 32 THR CB C 13 70.040 0.200 . 1 . . . . 32 . CB . 6542 1 121 . 1 1 32 32 THR N N 15 114.700 0.050 . 1 . . . . 32 . N . 6542 1 122 . 1 1 33 33 LYS H H 1 9.230 0.010 . 1 . . . . 33 . H . 6542 1 123 . 1 1 33 33 LYS CA C 13 59.580 0.200 . 1 . . . . 33 . CA . 6542 1 124 . 1 1 33 33 LYS CB C 13 31.330 0.200 . 1 . . . . 33 . CB . 6542 1 125 . 1 1 33 33 LYS N N 15 122.700 0.050 . 1 . . . . 33 . N . 6542 1 126 . 1 1 34 34 ASP H H 1 8.330 0.010 . 1 . . . . 34 . H . 6542 1 127 . 1 1 34 34 ASP CA C 13 56.810 0.200 . 1 . . . . 34 . CA . 6542 1 128 . 1 1 34 34 ASP CB C 13 39.750 0.200 . 1 . . . . 34 . CB . 6542 1 129 . 1 1 34 34 ASP N N 15 115.600 0.050 . 1 . . . . 34 . N . 6542 1 130 . 1 1 35 35 VAL H H 1 7.430 0.010 . 1 . . . . 35 . H . 6542 1 131 . 1 1 35 35 VAL CA C 13 66.480 0.200 . 1 . . . . 35 . CA . 6542 1 132 . 1 1 35 35 VAL CB C 13 31.400 0.200 . 1 . . . . 35 . CB . 6542 1 133 . 1 1 35 35 VAL N N 15 122.000 0.050 . 1 . . . . 35 . N . 6542 1 134 . 1 1 36 36 PHE H H 1 9.010 0.010 . 1 . . . . 36 . H . 6542 1 135 . 1 1 36 36 PHE CA C 13 61.220 0.200 . 1 . . . . 36 . CA . 6542 1 136 . 1 1 36 36 PHE CB C 13 38.800 0.200 . 1 . . . . 36 . CB . 6542 1 137 . 1 1 36 36 PHE N N 15 120.600 0.050 . 1 . . . . 36 . N . 6542 1 138 . 1 1 37 37 ASP H H 1 8.850 0.010 . 1 . . . . 37 . H . 6542 1 139 . 1 1 37 37 ASP CA C 13 56.910 0.200 . 1 . . . . 37 . CA . 6542 1 140 . 1 1 37 37 ASP CB C 13 38.880 0.200 . 1 . . . . 37 . CB . 6542 1 141 . 1 1 37 37 ASP N N 15 117.900 0.050 . 1 . . . . 37 . N . 6542 1 142 . 1 1 38 38 SER H H 1 7.570 0.010 . 1 . . . . 38 . H . 6542 1 143 . 1 1 38 38 SER CA C 13 60.620 0.200 . 1 . . . . 38 . CA . 6542 1 144 . 1 1 38 38 SER CB C 13 63.660 0.200 . 1 . . . . 38 . CB . 6542 1 145 . 1 1 38 38 SER N N 15 114.100 0.050 . 1 . . . . 38 . N . 6542 1 146 . 1 1 39 39 ILE H H 1 7.360 0.010 . 1 . . . . 39 . H . 6542 1 147 . 1 1 39 39 ILE CA C 13 61.320 0.200 . 1 . . . . 39 . CA . 6542 1 148 . 1 1 39 39 ILE CB C 13 38.770 0.200 . 1 . . . . 39 . CB . 6542 1 149 . 1 1 39 39 ILE N N 15 111.100 0.050 . 1 . . . . 39 . N . 6542 1 150 . 1 1 40 40 LYS H H 1 7.920 0.010 . 1 . . . . 40 . H . 6542 1 151 . 1 1 40 40 LYS CA C 13 58.910 0.200 . 1 . . . . 40 . CA . 6542 1 152 . 1 1 40 40 LYS CB C 13 29.800 0.200 . 1 . . . . 40 . CB . 6542 1 153 . 1 1 40 40 LYS N N 15 120.100 0.050 . 1 . . . . 40 . N . 6542 1 154 . 1 1 41 41 ASN H H 1 8.170 0.010 . 1 . . . . 41 . H . 6542 1 155 . 1 1 41 41 ASN CA C 13 52.870 0.200 . 1 . . . . 41 . CA . 6542 1 156 . 1 1 41 41 ASN CB C 13 38.970 0.200 . 1 . . . . 41 . CB . 6542 1 157 . 1 1 41 41 ASN N N 15 115.100 0.050 . 1 . . . . 41 . N . 6542 1 158 . 1 1 42 42 LYS H H 1 7.620 0.010 . 1 . . . . 42 . H . 6542 1 159 . 1 1 42 42 LYS CA C 13 56.380 0.200 . 1 . . . . 42 . CA . 6542 1 160 . 1 1 42 42 LYS CB C 13 33.330 0.200 . 1 . . . . 42 . CB . 6542 1 161 . 1 1 42 42 LYS N N 15 120.500 0.050 . 1 . . . . 42 . N . 6542 1 162 . 1 1 43 43 LYS H H 1 7.880 0.010 . 1 . . . . 43 . H . 6542 1 163 . 1 1 43 43 LYS CA C 13 54.110 0.200 . 1 . . . . 43 . CA . 6542 1 164 . 1 1 43 43 LYS CB C 13 35.790 0.200 . 1 . . . . 43 . CB . 6542 1 165 . 1 1 43 43 LYS N N 15 116.800 0.050 . 1 . . . . 43 . N . 6542 1 166 . 1 1 44 44 THR H H 1 9.040 0.010 . 1 . . . . 44 . H . 6542 1 167 . 1 1 44 44 THR CA C 13 60.310 0.200 . 1 . . . . 44 . CA . 6542 1 168 . 1 1 44 44 THR CB C 13 70.410 0.200 . 1 . . . . 44 . CB . 6542 1 169 . 1 1 44 44 THR N N 15 114.700 0.050 . 1 . . . . 44 . N . 6542 1 170 . 1 1 45 45 GLY H H 1 9.780 0.010 . 1 . . . . 45 . H . 6542 1 171 . 1 1 45 45 GLY CA C 13 46.520 0.200 . 1 . . . . 45 . CA . 6542 1 172 . 1 1 45 45 GLY N N 15 111.900 0.050 . 1 . . . . 45 . N . 6542 1 173 . 1 1 46 46 MET H H 1 7.760 0.010 . 1 . . . . 46 . H . 6542 1 174 . 1 1 46 46 MET CA C 13 56.240 0.200 . 1 . . . . 46 . CA . 6542 1 175 . 1 1 46 46 MET CB C 13 30.960 0.200 . 1 . . . . 46 . CB . 6542 1 176 . 1 1 46 46 MET N N 15 117.700 0.050 . 1 . . . . 46 . N . 6542 1 177 . 1 1 47 47 GLY H H 1 7.910 0.010 . 1 . . . . 47 . H . 6542 1 178 . 1 1 47 47 GLY CA C 13 44.720 0.200 . 1 . . . . 47 . CA . 6542 1 179 . 1 1 47 47 GLY N N 15 108.400 0.050 . 1 . . . . 47 . N . 6542 1 180 . 1 1 48 48 ALA H H 1 7.870 0.010 . 1 . . . . 48 . H . 6542 1 181 . 1 1 48 48 ALA CA C 13 51.910 0.200 . 1 . . . . 48 . CA . 6542 1 182 . 1 1 48 48 ALA CB C 13 19.360 0.200 . 1 . . . . 48 . CB . 6542 1 183 . 1 1 48 48 ALA N N 15 124.600 0.050 . 1 . . . . 48 . N . 6542 1 184 . 1 1 49 49 THR H H 1 9.510 0.010 . 1 . . . . 49 . H . 6542 1 185 . 1 1 49 49 THR CA C 13 59.790 0.200 . 1 . . . . 49 . CA . 6542 1 186 . 1 1 49 49 THR CB C 13 72.060 0.200 . 1 . . . . 49 . CB . 6542 1 187 . 1 1 49 49 THR N N 15 111.900 0.050 . 1 . . . . 49 . N . 6542 1 188 . 1 1 50 50 LEU H H 1 10.410 0.010 . 1 . . . . 50 . H . 6542 1 189 . 1 1 50 50 LEU CA C 13 55.580 0.200 . 1 . . . . 50 . CA . 6542 1 190 . 1 1 50 50 LEU CB C 13 39.380 0.200 . 1 . . . . 50 . CB . 6542 1 191 . 1 1 50 50 LEU N N 15 120.000 0.050 . 1 . . . . 50 . N . 6542 1 192 . 1 1 51 51 LEU H H 1 7.970 0.010 . 1 . . . . 51 . H . 6542 1 193 . 1 1 51 51 LEU CA C 13 57.130 0.200 . 1 . . . . 51 . CA . 6542 1 194 . 1 1 51 51 LEU CB C 13 40.950 0.200 . 1 . . . . 51 . CB . 6542 1 195 . 1 1 51 51 LEU N N 15 121.800 0.050 . 1 . . . . 51 . N . 6542 1 196 . 1 1 52 52 ASP H H 1 6.940 0.010 . 1 . . . . 52 . H . 6542 1 197 . 1 1 52 52 ASP CA C 13 56.400 0.200 . 1 . . . . 52 . CA . 6542 1 198 . 1 1 52 52 ASP CB C 13 41.010 0.200 . 1 . . . . 52 . CB . 6542 1 199 . 1 1 52 52 ASP N N 15 115.200 0.050 . 1 . . . . 52 . N . 6542 1 200 . 1 1 53 53 VAL H H 1 6.920 0.010 . 1 . . . . 53 . H . 6542 1 201 . 1 1 53 53 VAL CA C 13 62.520 0.200 . 1 . . . . 53 . CA . 6542 1 202 . 1 1 53 53 VAL CB C 13 32.230 0.200 . 1 . . . . 53 . CB . 6542 1 203 . 1 1 53 53 VAL N N 15 117.200 0.050 . 1 . . . . 53 . N . 6542 1 204 . 1 1 54 54 ILE H H 1 7.660 0.010 . 1 . . . . 54 . H . 6542 1 205 . 1 1 54 54 ILE CA C 13 62.030 0.200 . 1 . . . . 54 . CA . 6542 1 206 . 1 1 54 54 ILE CB C 13 39.220 0.200 . 1 . . . . 54 . CB . 6542 1 207 . 1 1 54 54 ILE N N 15 109.800 0.050 . 1 . . . . 54 . N . 6542 1 208 . 1 1 55 55 GLN H H 1 7.990 0.010 . 1 . . . . 55 . H . 6542 1 209 . 1 1 55 55 GLN CA C 13 59.480 0.200 . 1 . . . . 55 . CA . 6542 1 210 . 1 1 55 55 GLN CB C 13 25.290 0.200 . 1 . . . . 55 . CB . 6542 1 211 . 1 1 55 55 GLN N N 15 120.600 0.050 . 1 . . . . 55 . N . 6542 1 212 . 1 1 56 56 SER H H 1 9.270 0.010 . 1 . . . . 56 . H . 6542 1 213 . 1 1 56 56 SER CA C 13 60.610 0.200 . 1 . . . . 56 . CA . 6542 1 214 . 1 1 56 56 SER CB C 13 62.850 0.200 . 1 . . . . 56 . CB . 6542 1 215 . 1 1 56 56 SER N N 15 114.300 0.050 . 1 . . . . 56 . N . 6542 1 216 . 1 1 57 57 GLY H H 1 7.360 0.010 . 1 . . . . 57 . H . 6542 1 217 . 1 1 57 57 GLY CA C 13 46.140 0.200 . 1 . . . . 57 . CA . 6542 1 218 . 1 1 57 57 GLY N N 15 109.100 0.050 . 1 . . . . 57 . N . 6542 1 219 . 1 1 58 58 VAL H H 1 7.420 0.010 . 1 . . . . 58 . H . 6542 1 220 . 1 1 58 58 VAL CA C 13 64.450 0.200 . 1 . . . . 58 . CA . 6542 1 221 . 1 1 58 58 VAL CB C 13 31.350 0.200 . 1 . . . . 58 . CB . 6542 1 222 . 1 1 58 58 VAL N N 15 119.100 0.050 . 1 . . . . 58 . N . 6542 1 223 . 1 1 59 59 GLU H H 1 7.680 0.010 . 1 . . . . 59 . H . 6542 1 224 . 1 1 59 59 GLU CA C 13 57.020 0.200 . 1 . . . . 59 . CA . 6542 1 225 . 1 1 59 59 GLU CB C 13 29.320 0.200 . 1 . . . . 59 . CB . 6542 1 226 . 1 1 59 59 GLU N N 15 115.500 0.050 . 1 . . . . 59 . N . 6542 1 227 . 1 1 60 60 ASN H H 1 7.810 0.010 . 1 . . . . 60 . H . 6542 1 228 . 1 1 60 60 ASN CA C 13 50.730 0.200 . 1 . . . . 60 . CA . 6542 1 229 . 1 1 60 60 ASN CB C 13 38.550 0.200 . 1 . . . . 60 . CB . 6542 1 230 . 1 1 60 60 ASN N N 15 115.700 0.050 . 1 . . . . 60 . N . 6542 1 231 . 1 1 61 61 LEU CA C 13 57.050 0.200 . 1 . . . . 61 . CA . 6542 1 232 . 1 1 61 61 LEU CB C 13 40.460 0.200 . 1 . . . . 61 . CB . 6542 1 233 . 1 1 62 62 ASP H H 1 9.210 0.010 . 1 . . . . 62 . H . 6542 1 234 . 1 1 62 62 ASP CA C 13 53.120 0.200 . 1 . . . . 62 . CA . 6542 1 235 . 1 1 62 62 ASP CB C 13 37.730 0.200 . 1 . . . . 62 . CB . 6542 1 236 . 1 1 62 62 ASP N N 15 115.700 0.050 . 1 . . . . 62 . N . 6542 1 237 . 1 1 63 63 SER H H 1 7.440 0.010 . 1 . . . . 63 . H . 6542 1 238 . 1 1 63 63 SER CA C 13 58.870 0.200 . 1 . . . . 63 . CA . 6542 1 239 . 1 1 63 63 SER CB C 13 64.310 0.200 . 1 . . . . 63 . CB . 6542 1 240 . 1 1 63 63 SER N N 15 115.800 0.050 . 1 . . . . 63 . N . 6542 1 241 . 1 1 64 64 GLY H H 1 8.260 0.010 . 1 . . . . 64 . H . 6542 1 242 . 1 1 64 64 GLY CA C 13 46.050 0.200 . 1 . . . . 64 . CA . 6542 1 243 . 1 1 64 64 GLY N N 15 111.900 0.050 . 1 . . . . 64 . N . 6542 1 244 . 1 1 65 65 VAL H H 1 8.330 0.010 . 1 . . . . 65 . H . 6542 1 245 . 1 1 65 65 VAL CA C 13 64.790 0.200 . 1 . . . . 65 . CA . 6542 1 246 . 1 1 65 65 VAL CB C 13 29.730 0.200 . 1 . . . . 65 . CB . 6542 1 247 . 1 1 65 65 VAL N N 15 124.200 0.050 . 1 . . . . 65 . N . 6542 1 248 . 1 1 66 66 GLY H H 1 8.190 0.010 . 1 . . . . 66 . H . 6542 1 249 . 1 1 66 66 GLY CA C 13 44.380 0.200 . 1 . . . . 66 . CA . 6542 1 250 . 1 1 66 66 GLY N N 15 103.500 0.050 . 1 . . . . 66 . N . 6542 1 251 . 1 1 67 67 ILE H H 1 5.980 0.010 . 1 . . . . 67 . H . 6542 1 252 . 1 1 67 67 ILE CA C 13 57.130 0.200 . 1 . . . . 67 . CA . 6542 1 253 . 1 1 67 67 ILE CB C 13 40.450 0.200 . 1 . . . . 67 . CB . 6542 1 254 . 1 1 67 67 ILE N N 15 104.600 0.050 . 1 . . . . 67 . N . 6542 1 255 . 1 1 68 68 TYR H H 1 7.990 0.010 . 1 . . . . 68 . H . 6542 1 256 . 1 1 68 68 TYR CA C 13 56.450 0.200 . 1 . . . . 68 . CA . 6542 1 257 . 1 1 68 68 TYR CB C 13 42.930 0.200 . 1 . . . . 68 . CB . 6542 1 258 . 1 1 68 68 TYR N N 15 118.000 0.050 . 1 . . . . 68 . N . 6542 1 259 . 1 1 69 69 ALA H H 1 9.510 0.010 . 1 . . . . 69 . H . 6542 1 260 . 1 1 69 69 ALA CA C 13 48.750 0.200 . 1 . . . . 69 . CA . 6542 1 261 . 1 1 69 69 ALA CB C 13 20.080 0.200 . 1 . . . . 69 . CB . 6542 1 262 . 1 1 69 69 ALA N N 15 121.700 0.050 . 1 . . . . 69 . N . 6542 1 263 . 1 1 70 70 PRO CA C 13 62.680 0.200 . 1 . . . . 70 . CA . 6542 1 264 . 1 1 70 70 PRO CB C 13 32.440 0.200 . 1 . . . . 70 . CB . 6542 1 265 . 1 1 71 71 ASP H H 1 7.340 0.010 . 1 . . . . 71 . H . 6542 1 266 . 1 1 71 71 ASP CA C 13 51.870 0.200 . 1 . . . . 71 . CA . 6542 1 267 . 1 1 71 71 ASP CB C 13 39.920 0.200 . 1 . . . . 71 . CB . 6542 1 268 . 1 1 71 71 ASP N N 15 113.600 0.050 . 1 . . . . 71 . N . 6542 1 269 . 1 1 72 72 ALA H H 1 8.070 0.010 . 1 . . . . 72 . H . 6542 1 270 . 1 1 72 72 ALA CA C 13 54.780 0.200 . 1 . . . . 72 . CA . 6542 1 271 . 1 1 72 72 ALA CB C 13 18.150 0.200 . 1 . . . . 72 . CB . 6542 1 272 . 1 1 72 72 ALA N N 15 120.000 0.050 . 1 . . . . 72 . N . 6542 1 273 . 1 1 73 73 GLU H H 1 7.900 0.010 . 1 . . . . 73 . H . 6542 1 274 . 1 1 73 73 GLU CA C 13 57.770 0.200 . 1 . . . . 73 . CA . 6542 1 275 . 1 1 73 73 GLU CB C 13 29.220 0.200 . 1 . . . . 73 . CB . 6542 1 276 . 1 1 73 73 GLU N N 15 119.200 0.050 . 1 . . . . 73 . N . 6542 1 277 . 1 1 74 74 SER H H 1 8.650 0.010 . 1 . . . . 74 . H . 6542 1 278 . 1 1 74 74 SER CA C 13 63.480 0.200 . 1 . . . . 74 . CA . 6542 1 279 . 1 1 74 74 SER CB C 13 62.580 0.200 . 1 . . . . 74 . CB . 6542 1 280 . 1 1 74 74 SER N N 15 117.400 0.050 . 1 . . . . 74 . N . 6542 1 281 . 1 1 75 75 TYR H H 1 6.610 0.010 . 1 . . . . 75 . H . 6542 1 282 . 1 1 75 75 TYR CA C 13 62.580 0.200 . 1 . . . . 75 . CA . 6542 1 283 . 1 1 75 75 TYR CB C 13 38.300 0.200 . 1 . . . . 75 . CB . 6542 1 284 . 1 1 75 75 TYR N N 15 117.700 0.050 . 1 . . . . 75 . N . 6542 1 285 . 1 1 76 76 ARG H H 1 7.720 0.010 . 1 . . . . 76 . H . 6542 1 286 . 1 1 76 76 ARG CA C 13 58.200 0.200 . 1 . . . . 76 . CA . 6542 1 287 . 1 1 76 76 ARG CB C 13 30.010 0.200 . 1 . . . . 76 . CB . 6542 1 288 . 1 1 76 76 ARG N N 15 114.800 0.050 . 1 . . . . 76 . N . 6542 1 289 . 1 1 77 77 THR H H 1 8.660 0.010 . 1 . . . . 77 . H . 6542 1 290 . 1 1 77 77 THR CA C 13 63.280 0.200 . 1 . . . . 77 . CA . 6542 1 291 . 1 1 77 77 THR CB C 13 66.720 0.200 . 1 . . . . 77 . CB . 6542 1 292 . 1 1 77 77 THR N N 15 121.100 0.050 . 1 . . . . 77 . N . 6542 1 293 . 1 1 78 78 PHE H H 1 7.790 0.010 . 1 . . . . 78 . H . 6542 1 294 . 1 1 78 78 PHE CA C 13 58.490 0.200 . 1 . . . . 78 . CA . 6542 1 295 . 1 1 78 78 PHE CB C 13 36.790 0.200 . 1 . . . . 78 . CB . 6542 1 296 . 1 1 78 78 PHE N N 15 113.400 0.050 . 1 . . . . 78 . N . 6542 1 297 . 1 1 79 79 GLY H H 1 7.730 0.010 . 1 . . . . 79 . H . 6542 1 298 . 1 1 79 79 GLY CA C 13 48.990 0.200 . 1 . . . . 79 . CA . 6542 1 299 . 1 1 79 79 GLY N N 15 113.800 0.050 . 1 . . . . 79 . N . 6542 1 300 . 1 1 80 80 PRO CA C 13 65.110 0.200 . 1 . . . . 80 . CA . 6542 1 301 . 1 1 80 80 PRO CB C 13 31.560 0.200 . 1 . . . . 80 . CB . 6542 1 302 . 1 1 81 81 LEU H H 1 7.630 0.010 . 1 . . . . 81 . H . 6542 1 303 . 1 1 81 81 LEU CA C 13 54.660 0.200 . 1 . . . . 81 . CA . 6542 1 304 . 1 1 81 81 LEU CB C 13 44.050 0.200 . 1 . . . . 81 . CB . 6542 1 305 . 1 1 81 81 LEU N N 15 112.500 0.050 . 1 . . . . 81 . N . 6542 1 306 . 1 1 82 82 PHE H H 1 7.910 0.010 . 1 . . . . 82 . H . 6542 1 307 . 1 1 82 82 PHE CA C 13 63.350 0.200 . 1 . . . . 82 . CA . 6542 1 308 . 1 1 82 82 PHE CB C 13 39.090 0.200 . 1 . . . . 82 . CB . 6542 1 309 . 1 1 82 82 PHE N N 15 115.600 0.050 . 1 . . . . 82 . N . 6542 1 310 . 1 1 83 83 ASP H H 1 10.070 0.010 . 1 . . . . 83 . H . 6542 1 311 . 1 1 83 83 ASP CA C 13 59.960 0.200 . 1 . . . . 83 . CA . 6542 1 312 . 1 1 83 83 ASP CB C 13 36.690 0.200 . 1 . . . . 83 . CB . 6542 1 313 . 1 1 83 83 ASP N N 15 118.400 0.050 . 1 . . . . 83 . N . 6542 1 314 . 1 1 84 84 PRO CA C 13 64.970 0.200 . 1 . . . . 84 . CA . 6542 1 315 . 1 1 84 84 PRO CB C 13 29.490 0.200 . 1 . . . . 84 . CB . 6542 1 316 . 1 1 85 85 ILE H H 1 6.600 0.010 . 1 . . . . 85 . H . 6542 1 317 . 1 1 85 85 ILE CA C 13 66.180 0.200 . 1 . . . . 85 . CA . 6542 1 318 . 1 1 85 85 ILE CB C 13 36.340 0.200 . 1 . . . . 85 . CB . 6542 1 319 . 1 1 85 85 ILE N N 15 120.400 0.050 . 1 . . . . 85 . N . 6542 1 320 . 1 1 86 86 ILE H H 1 8.870 0.010 . 1 . . . . 86 . H . 6542 1 321 . 1 1 86 86 ILE CA C 13 66.080 0.200 . 1 . . . . 86 . CA . 6542 1 322 . 1 1 86 86 ILE CB C 13 46.970 0.200 . 1 . . . . 86 . CB . 6542 1 323 . 1 1 86 86 ILE N N 15 122.900 0.050 . 1 . . . . 86 . N . 6542 1 324 . 1 1 87 87 ASP H H 1 7.970 0.010 . 1 . . . . 87 . H . 6542 1 325 . 1 1 87 87 ASP CA C 13 57.110 0.200 . 1 . . . . 87 . CA . 6542 1 326 . 1 1 87 87 ASP CB C 13 41.790 0.200 . 1 . . . . 87 . CB . 6542 1 327 . 1 1 87 87 ASP N N 15 118.500 0.050 . 1 . . . . 87 . N . 6542 1 328 . 1 1 88 88 ASP H H 1 7.500 0.010 . 1 . . . . 88 . H . 6542 1 329 . 1 1 88 88 ASP CA C 13 55.870 0.200 . 1 . . . . 88 . CA . 6542 1 330 . 1 1 88 88 ASP CB C 13 41.810 0.200 . 1 . . . . 88 . CB . 6542 1 331 . 1 1 88 88 ASP N N 15 117.200 0.050 . 1 . . . . 88 . N . 6542 1 332 . 1 1 89 89 TYR H H 1 8.990 0.010 . 1 . . . . 89 . H . 6542 1 333 . 1 1 89 89 TYR CA C 13 62.370 0.200 . 1 . . . . 89 . CA . 6542 1 334 . 1 1 89 89 TYR CB C 13 37.830 0.200 . 1 . . . . 89 . CB . 6542 1 335 . 1 1 89 89 TYR N N 15 118.400 0.050 . 1 . . . . 89 . N . 6542 1 336 . 1 1 90 90 HIS H H 1 8.300 0.010 . 1 . . . . 90 . H . 6542 1 337 . 1 1 90 90 HIS CA C 13 57.280 0.200 . 1 . . . . 90 . CA . 6542 1 338 . 1 1 90 90 HIS CB C 13 29.500 0.200 . 1 . . . . 90 . CB . 6542 1 339 . 1 1 90 90 HIS N N 15 112.800 0.050 . 1 . . . . 90 . N . 6542 1 340 . 1 1 91 91 GLY H H 1 7.530 0.010 . 1 . . . . 91 . H . 6542 1 341 . 1 1 91 91 GLY CA C 13 46.660 0.200 . 1 . . . . 91 . CA . 6542 1 342 . 1 1 91 91 GLY N N 15 109.100 0.050 . 1 . . . . 91 . N . 6542 1 343 . 1 1 92 92 GLY H H 1 8.480 0.010 . 1 . . . . 92 . H . 6542 1 344 . 1 1 92 92 GLY CA C 13 45.060 0.200 . 1 . . . . 92 . CA . 6542 1 345 . 1 1 92 92 GLY N N 15 111.000 0.050 . 1 . . . . 92 . N . 6542 1 346 . 1 1 93 93 PHE H H 1 9.990 0.010 . 1 . . . . 93 . H . 6542 1 347 . 1 1 93 93 PHE CA C 13 59.870 0.200 . 1 . . . . 93 . CA . 6542 1 348 . 1 1 93 93 PHE CB C 13 38.700 0.200 . 1 . . . . 93 . CB . 6542 1 349 . 1 1 93 93 PHE N N 15 133.800 0.050 . 1 . . . . 93 . N . 6542 1 350 . 1 1 94 94 LYS H H 1 9.300 0.010 . 1 . . . . 94 . H . 6542 1 351 . 1 1 94 94 LYS CA C 13 54.790 0.200 . 1 . . . . 94 . CA . 6542 1 352 . 1 1 94 94 LYS CB C 13 32.730 0.200 . 1 . . . . 94 . CB . 6542 1 353 . 1 1 94 94 LYS N N 15 126.700 0.050 . 1 . . . . 94 . N . 6542 1 354 . 1 1 95 95 LEU H H 1 8.570 0.010 . 1 . . . . 95 . H . 6542 1 355 . 1 1 95 95 LEU CA C 13 57.800 0.200 . 1 . . . . 95 . CA . 6542 1 356 . 1 1 95 95 LEU CB C 13 40.640 0.200 . 1 . . . . 95 . CB . 6542 1 357 . 1 1 95 95 LEU N N 15 122.100 0.050 . 1 . . . . 95 . N . 6542 1 358 . 1 1 96 96 THR H H 1 6.870 0.010 . 1 . . . . 96 . H . 6542 1 359 . 1 1 96 96 THR CA C 13 60.500 0.200 . 1 . . . . 96 . CA . 6542 1 360 . 1 1 96 96 THR CB C 13 68.290 0.200 . 1 . . . . 96 . CB . 6542 1 361 . 1 1 96 96 THR N N 15 101.800 0.050 . 1 . . . . 96 . N . 6542 1 362 . 1 1 97 97 ASP H H 1 7.000 0.010 . 1 . . . . 97 . H . 6542 1 363 . 1 1 97 97 ASP CA C 13 54.360 0.200 . 1 . . . . 97 . CA . 6542 1 364 . 1 1 97 97 ASP CB C 13 40.340 0.200 . 1 . . . . 97 . CB . 6542 1 365 . 1 1 97 97 ASP N N 15 123.400 0.050 . 1 . . . . 97 . N . 6542 1 366 . 1 1 98 98 LYS H H 1 7.990 0.010 . 1 . . . . 98 . H . 6542 1 367 . 1 1 98 98 LYS CA C 13 55.180 0.200 . 1 . . . . 98 . CA . 6542 1 368 . 1 1 98 98 LYS CB C 13 34.540 0.200 . 1 . . . . 98 . CB . 6542 1 369 . 1 1 98 98 LYS N N 15 116.000 0.050 . 1 . . . . 98 . N . 6542 1 370 . 1 1 99 99 HIS H H 1 9.120 0.010 . 1 . . . . 99 . H . 6542 1 371 . 1 1 99 99 HIS CA C 13 54.630 0.200 . 1 . . . . 99 . CA . 6542 1 372 . 1 1 99 99 HIS CB C 13 31.390 0.200 . 1 . . . . 99 . CB . 6542 1 373 . 1 1 99 99 HIS N N 15 129.300 0.050 . 1 . . . . 99 . N . 6542 1 374 . 1 1 101 101 PRO CA C 13 62.400 0.200 . 1 . . . . 101 . CA . 6542 1 375 . 1 1 101 101 PRO CB C 13 31.090 0.200 . 1 . . . . 101 . CB . 6542 1 376 . 1 1 102 102 LYS H H 1 7.850 0.010 . 1 . . . . 102 . H . 6542 1 377 . 1 1 102 102 LYS CA C 13 56.570 0.200 . 1 . . . . 102 . CA . 6542 1 378 . 1 1 102 102 LYS CB C 13 30.890 0.200 . 1 . . . . 102 . CB . 6542 1 379 . 1 1 102 102 LYS N N 15 126.000 0.050 . 1 . . . . 102 . N . 6542 1 380 . 1 1 103 103 GLU H H 1 8.630 0.010 . 1 . . . . 103 . H . 6542 1 381 . 1 1 103 103 GLU CA C 13 55.300 0.200 . 1 . . . . 103 . CA . 6542 1 382 . 1 1 103 103 GLU CB C 13 30.440 0.200 . 1 . . . . 103 . CB . 6542 1 383 . 1 1 103 103 GLU N N 15 129.900 0.050 . 1 . . . . 103 . N . 6542 1 384 . 1 1 104 104 TRP H H 1 8.570 0.010 . 1 . . . . 104 . H . 6542 1 385 . 1 1 104 104 TRP CA C 13 57.240 0.200 . 1 . . . . 104 . CA . 6542 1 386 . 1 1 104 104 TRP CB C 13 31.650 0.200 . 1 . . . . 104 . CB . 6542 1 387 . 1 1 104 104 TRP N N 15 126.500 0.050 . 1 . . . . 104 . N . 6542 1 388 . 1 1 105 105 GLY H H 1 8.510 0.010 . 1 . . . . 105 . H . 6542 1 389 . 1 1 105 105 GLY CA C 13 43.410 0.200 . 1 . . . . 105 . CA . 6542 1 390 . 1 1 105 105 GLY N N 15 102.700 0.050 . 1 . . . . 105 . N . 6542 1 391 . 1 1 106 106 ASP H H 1 7.210 0.010 . 1 . . . . 106 . H . 6542 1 392 . 1 1 106 106 ASP CA C 13 52.380 0.200 . 1 . . . . 106 . CA . 6542 1 393 . 1 1 106 106 ASP CB C 13 39.210 0.200 . 1 . . . . 106 . CB . 6542 1 394 . 1 1 106 106 ASP N N 15 115.200 0.050 . 1 . . . . 106 . N . 6542 1 395 . 1 1 107 107 ILE H H 1 8.660 0.010 . 1 . . . . 107 . H . 6542 1 396 . 1 1 107 107 ILE CA C 13 63.730 0.200 . 1 . . . . 107 . CA . 6542 1 397 . 1 1 107 107 ILE CB C 13 37.210 0.200 . 1 . . . . 107 . CB . 6542 1 398 . 1 1 107 107 ILE N N 15 130.800 0.050 . 1 . . . . 107 . N . 6542 1 399 . 1 1 108 108 ASN H H 1 8.170 0.010 . 1 . . . . 108 . H . 6542 1 400 . 1 1 108 108 ASN CA C 13 54.820 0.200 . 1 . . . . 108 . CA . 6542 1 401 . 1 1 108 108 ASN CB C 13 37.420 0.200 . 1 . . . . 108 . CB . 6542 1 402 . 1 1 108 108 ASN N N 15 114.700 0.050 . 1 . . . . 108 . N . 6542 1 403 . 1 1 109 109 THR H H 1 7.690 0.010 . 1 . . . . 109 . H . 6542 1 404 . 1 1 109 109 THR CA C 13 61.770 0.200 . 1 . . . . 109 . CA . 6542 1 405 . 1 1 109 109 THR CB C 13 70.170 0.200 . 1 . . . . 109 . CB . 6542 1 406 . 1 1 109 109 THR N N 15 108.100 0.050 . 1 . . . . 109 . N . 6542 1 407 . 1 1 110 110 LEU H H 1 7.530 0.010 . 1 . . . . 110 . H . 6542 1 408 . 1 1 110 110 LEU CA C 13 53.230 0.200 . 1 . . . . 110 . CA . 6542 1 409 . 1 1 110 110 LEU CB C 13 40.660 0.200 . 1 . . . . 110 . CB . 6542 1 410 . 1 1 110 110 LEU N N 15 124.000 0.050 . 1 . . . . 110 . N . 6542 1 411 . 1 1 111 111 VAL H H 1 7.690 0.010 . 1 . . . . 111 . H . 6542 1 412 . 1 1 111 111 VAL CA C 13 58.640 0.200 . 1 . . . . 111 . CA . 6542 1 413 . 1 1 111 111 VAL CB C 13 34.860 0.200 . 1 . . . . 111 . CB . 6542 1 414 . 1 1 111 111 VAL N N 15 110.500 0.050 . 1 . . . . 111 . N . 6542 1 415 . 1 1 112 112 ASP H H 1 7.600 0.010 . 1 . . . . 112 . H . 6542 1 416 . 1 1 112 112 ASP CA C 13 53.640 0.200 . 1 . . . . 112 . CA . 6542 1 417 . 1 1 112 112 ASP CB C 13 39.570 0.200 . 1 . . . . 112 . CB . 6542 1 418 . 1 1 112 112 ASP N N 15 117.200 0.050 . 1 . . . . 112 . N . 6542 1 419 . 1 1 113 113 LEU H H 1 8.350 0.010 . 1 . . . . 113 . H . 6542 1 420 . 1 1 113 113 LEU CA C 13 55.520 0.200 . 1 . . . . 113 . CA . 6542 1 421 . 1 1 113 113 LEU CB C 13 42.290 0.200 . 1 . . . . 113 . CB . 6542 1 422 . 1 1 113 113 LEU N N 15 125.600 0.050 . 1 . . . . 113 . N . 6542 1 423 . 1 1 114 114 ASP H H 1 7.900 0.010 . 1 . . . . 114 . H . 6542 1 424 . 1 1 114 114 ASP CA C 13 51.980 0.200 . 1 . . . . 114 . CA . 6542 1 425 . 1 1 114 114 ASP CB C 13 42.610 0.200 . 1 . . . . 114 . CB . 6542 1 426 . 1 1 114 114 ASP N N 15 110.000 0.050 . 1 . . . . 114 . N . 6542 1 427 . 1 1 115 115 PRO CA C 13 64.550 0.200 . 1 . . . . 115 . CA . 6542 1 428 . 1 1 115 115 PRO CB C 13 30.690 0.200 . 1 . . . . 115 . CB . 6542 1 429 . 1 1 116 116 GLY H H 1 8.530 0.010 . 1 . . . . 116 . H . 6542 1 430 . 1 1 116 116 GLY CA C 13 45.080 0.200 . 1 . . . . 116 . CA . 6542 1 431 . 1 1 116 116 GLY N N 15 107.000 0.050 . 1 . . . . 116 . N . 6542 1 432 . 1 1 117 117 GLY H H 1 7.840 0.010 . 1 . . . . 117 . H . 6542 1 433 . 1 1 117 117 GLY CA C 13 46.600 0.200 . 1 . . . . 117 . CA . 6542 1 434 . 1 1 117 117 GLY N N 15 109.200 0.050 . 1 . . . . 117 . N . 6542 1 435 . 1 1 118 118 GLN H H 1 8.630 0.010 . 1 . . . . 118 . H . 6542 1 436 . 1 1 118 118 GLN CA C 13 56.850 0.200 . 1 . . . . 118 . CA . 6542 1 437 . 1 1 118 118 GLN CB C 13 29.160 0.200 . 1 . . . . 118 . CB . 6542 1 438 . 1 1 118 118 GLN N N 15 119.500 0.050 . 1 . . . . 118 . N . 6542 1 439 . 1 1 119 119 PHE H H 1 10.070 0.010 . 1 . . . . 119 . H . 6542 1 440 . 1 1 119 119 PHE CA C 13 59.430 0.200 . 1 . . . . 119 . CA . 6542 1 441 . 1 1 119 119 PHE CB C 13 41.210 0.200 . 1 . . . . 119 . CB . 6542 1 442 . 1 1 119 119 PHE N N 15 118.500 0.050 . 1 . . . . 119 . N . 6542 1 443 . 1 1 120 120 ILE H H 1 9.320 0.010 . 1 . . . . 120 . H . 6542 1 444 . 1 1 120 120 ILE CA C 13 62.970 0.200 . 1 . . . . 120 . CA . 6542 1 445 . 1 1 120 120 ILE CB C 13 37.640 0.200 . 1 . . . . 120 . CB . 6542 1 446 . 1 1 120 120 ILE N N 15 120.800 0.050 . 1 . . . . 120 . N . 6542 1 447 . 1 1 121 121 ILE H H 1 9.200 0.010 . 1 . . . . 121 . H . 6542 1 448 . 1 1 121 121 ILE CA C 13 63.010 0.200 . 1 . . . . 121 . CA . 6542 1 449 . 1 1 121 121 ILE CB C 13 38.620 0.200 . 1 . . . . 121 . CB . 6542 1 450 . 1 1 121 121 ILE N N 15 131.200 0.050 . 1 . . . . 121 . N . 6542 1 451 . 1 1 122 122 SER H H 1 7.710 0.010 . 1 . . . . 122 . H . 6542 1 452 . 1 1 122 122 SER CA C 13 58.260 0.200 . 1 . . . . 122 . CA . 6542 1 453 . 1 1 122 122 SER CB C 13 64.340 0.200 . 1 . . . . 122 . CB . 6542 1 454 . 1 1 122 122 SER N N 15 114.700 0.050 . 1 . . . . 122 . N . 6542 1 455 . 1 1 123 123 THR H H 1 8.420 0.010 . 1 . . . . 123 . H . 6542 1 456 . 1 1 123 123 THR CA C 13 63.100 0.200 . 1 . . . . 123 . CA . 6542 1 457 . 1 1 123 123 THR CB C 13 71.120 0.200 . 1 . . . . 123 . CB . 6542 1 458 . 1 1 123 123 THR N N 15 117.900 0.050 . 1 . . . . 123 . N . 6542 1 459 . 1 1 124 124 ARG H H 1 9.040 0.010 . 1 . . . . 124 . H . 6542 1 460 . 1 1 124 124 ARG CA C 13 54.380 0.200 . 1 . . . . 124 . CA . 6542 1 461 . 1 1 124 124 ARG CB C 13 33.760 0.200 . 1 . . . . 124 . CB . 6542 1 462 . 1 1 124 124 ARG N N 15 124.500 0.050 . 1 . . . . 124 . N . 6542 1 463 . 1 1 125 125 VAL H H 1 9.230 0.010 . 1 . . . . 125 . H . 6542 1 464 . 1 1 125 125 VAL CA C 13 61.750 0.200 . 1 . . . . 125 . CA . 6542 1 465 . 1 1 125 125 VAL CB C 13 34.040 0.200 . 1 . . . . 125 . CB . 6542 1 466 . 1 1 125 125 VAL N N 15 121.600 0.050 . 1 . . . . 125 . N . 6542 1 467 . 1 1 126 126 ARG H H 1 8.420 0.010 . 1 . . . . 126 . H . 6542 1 468 . 1 1 126 126 ARG CA C 13 52.490 0.200 . 1 . . . . 126 . CA . 6542 1 469 . 1 1 126 126 ARG CB C 13 34.150 0.200 . 1 . . . . 126 . CB . 6542 1 470 . 1 1 126 126 ARG N N 15 125.700 0.050 . 1 . . . . 126 . N . 6542 1 471 . 1 1 127 127 CYS H H 1 9.310 0.010 . 1 . . . . 127 . H . 6542 1 472 . 1 1 127 127 CYS CA C 13 56.800 0.200 . 1 . . . . 127 . CA . 6542 1 473 . 1 1 127 127 CYS CB C 13 31.160 0.200 . 1 . . . . 127 . CB . 6542 1 474 . 1 1 127 127 CYS N N 15 119.400 0.050 . 1 . . . . 127 . N . 6542 1 475 . 1 1 128 128 GLY H H 1 9.050 0.010 . 1 . . . . 128 . H . 6542 1 476 . 1 1 128 128 GLY CA C 13 43.800 0.200 . 1 . . . . 128 . CA . 6542 1 477 . 1 1 128 128 GLY N N 15 108.900 0.050 . 1 . . . . 128 . N . 6542 1 478 . 1 1 129 129 ARG H H 1 8.670 0.010 . 1 . . . . 129 . H . 6542 1 479 . 1 1 129 129 ARG CA C 13 52.810 0.200 . 1 . . . . 129 . CA . 6542 1 480 . 1 1 129 129 ARG CB C 13 37.040 0.200 . 1 . . . . 129 . CB . 6542 1 481 . 1 1 129 129 ARG N N 15 118.200 0.050 . 1 . . . . 129 . N . 6542 1 482 . 1 1 130 130 SER H H 1 9.150 0.010 . 1 . . . . 130 . H . 6542 1 483 . 1 1 130 130 SER CA C 13 55.890 0.200 . 1 . . . . 130 . CA . 6542 1 484 . 1 1 130 130 SER CB C 13 63.640 0.200 . 1 . . . . 130 . CB . 6542 1 485 . 1 1 130 130 SER N N 15 116.200 0.050 . 1 . . . . 130 . N . 6542 1 486 . 1 1 131 131 LEU H H 1 13.220 0.010 . 1 . . . . 131 . H . 6542 1 487 . 1 1 131 131 LEU CA C 13 54.470 0.200 . 1 . . . . 131 . CA . 6542 1 488 . 1 1 131 131 LEU CB C 13 40.540 0.200 . 1 . . . . 131 . CB . 6542 1 489 . 1 1 131 131 LEU N N 15 131.900 0.050 . 1 . . . . 131 . N . 6542 1 490 . 1 1 132 132 GLN H H 1 8.540 0.010 . 1 . . . . 132 . H . 6542 1 491 . 1 1 132 132 GLN CA C 13 57.020 0.200 . 1 . . . . 132 . CA . 6542 1 492 . 1 1 132 132 GLN CB C 13 28.270 0.200 . 1 . . . . 132 . CB . 6542 1 493 . 1 1 132 132 GLN N N 15 124.600 0.050 . 1 . . . . 132 . N . 6542 1 494 . 1 1 133 133 GLY H H 1 8.870 0.010 . 1 . . . . 133 . H . 6542 1 495 . 1 1 133 133 GLY CA C 13 44.360 0.200 . 1 . . . . 133 . CA . 6542 1 496 . 1 1 133 133 GLY N N 15 111.000 0.050 . 1 . . . . 133 . N . 6542 1 497 . 1 1 134 134 TYR H H 1 7.360 0.010 . 1 . . . . 134 . H . 6542 1 498 . 1 1 134 134 TYR CA C 13 55.510 0.200 . 1 . . . . 134 . CA . 6542 1 499 . 1 1 134 134 TYR CB C 13 41.070 0.200 . 1 . . . . 134 . CB . 6542 1 500 . 1 1 134 134 TYR N N 15 117.300 0.050 . 1 . . . . 134 . N . 6542 1 501 . 1 1 135 135 PRO CA C 13 62.020 0.200 . 1 . . . . 135 . CA . 6542 1 502 . 1 1 135 135 PRO CB C 13 31.340 0.200 . 1 . . . . 135 . CB . 6542 1 503 . 1 1 136 136 PHE H H 1 8.320 0.010 . 1 . . . . 136 . H . 6542 1 504 . 1 1 136 136 PHE CA C 13 52.760 0.200 . 1 . . . . 136 . CA . 6542 1 505 . 1 1 136 136 PHE CB C 13 36.310 0.200 . 1 . . . . 136 . CB . 6542 1 506 . 1 1 136 136 PHE N N 15 116.400 0.050 . 1 . . . . 136 . N . 6542 1 507 . 1 1 137 137 ASN H H 1 8.600 0.010 . 1 . . . . 137 . H . 6542 1 508 . 1 1 137 137 ASN CA C 13 58.220 0.200 . 1 . . . . 137 . CA . 6542 1 509 . 1 1 137 137 ASN CB C 13 37.750 0.200 . 1 . . . . 137 . CB . 6542 1 510 . 1 1 137 137 ASN N N 15 115.900 0.050 . 1 . . . . 137 . N . 6542 1 511 . 1 1 138 138 PRO CA C 13 65.290 0.200 . 1 . . . . 138 . CA . 6542 1 512 . 1 1 138 138 PRO CB C 13 32.040 0.200 . 1 . . . . 138 . CB . 6542 1 513 . 1 1 139 139 CYS H H 1 7.920 0.010 . 1 . . . . 139 . H . 6542 1 514 . 1 1 139 139 CYS CA C 13 57.980 0.200 . 1 . . . . 139 . CA . 6542 1 515 . 1 1 139 139 CYS CB C 13 31.430 0.200 . 1 . . . . 139 . CB . 6542 1 516 . 1 1 139 139 CYS N N 15 109.200 0.050 . 1 . . . . 139 . N . 6542 1 517 . 1 1 140 140 LEU H H 1 6.970 0.010 . 1 . . . . 140 . H . 6542 1 518 . 1 1 140 140 LEU CA C 13 55.740 0.200 . 1 . . . . 140 . CA . 6542 1 519 . 1 1 140 140 LEU CB C 13 42.330 0.200 . 1 . . . . 140 . CB . 6542 1 520 . 1 1 140 140 LEU N N 15 124.000 0.050 . 1 . . . . 140 . N . 6542 1 521 . 1 1 141 141 THR H H 1 8.510 0.010 . 1 . . . . 141 . H . 6542 1 522 . 1 1 141 141 THR CA C 13 59.340 0.200 . 1 . . . . 141 . CA . 6542 1 523 . 1 1 141 141 THR CB C 13 70.760 0.200 . 1 . . . . 141 . CB . 6542 1 524 . 1 1 141 141 THR N N 15 112.600 0.050 . 1 . . . . 141 . N . 6542 1 525 . 1 1 142 142 ALA H H 1 8.020 0.010 . 1 . . . . 142 . H . 6542 1 526 . 1 1 142 142 ALA CA C 13 55.730 0.200 . 1 . . . . 142 . CA . 6542 1 527 . 1 1 142 142 ALA CB C 13 16.400 0.200 . 1 . . . . 142 . CB . 6542 1 528 . 1 1 142 142 ALA N N 15 123.800 0.050 . 1 . . . . 142 . N . 6542 1 529 . 1 1 143 143 GLU H H 1 8.430 0.010 . 1 . . . . 143 . H . 6542 1 530 . 1 1 143 143 GLU CA C 13 59.650 0.200 . 1 . . . . 143 . CA . 6542 1 531 . 1 1 143 143 GLU CB C 13 28.110 0.200 . 1 . . . . 143 . CB . 6542 1 532 . 1 1 143 143 GLU N N 15 116.100 0.050 . 1 . . . . 143 . N . 6542 1 533 . 1 1 144 144 GLN H H 1 7.750 0.010 . 1 . . . . 144 . H . 6542 1 534 . 1 1 144 144 GLN CA C 13 58.760 0.200 . 1 . . . . 144 . CA . 6542 1 535 . 1 1 144 144 GLN CB C 13 30.210 0.200 . 1 . . . . 144 . CB . 6542 1 536 . 1 1 144 144 GLN N N 15 120.700 0.050 . 1 . . . . 144 . N . 6542 1 537 . 1 1 145 145 TYR H H 1 8.500 0.010 . 1 . . . . 145 . H . 6542 1 538 . 1 1 145 145 TYR CA C 13 63.720 0.200 . 1 . . . . 145 . CA . 6542 1 539 . 1 1 145 145 TYR CB C 13 37.660 0.200 . 1 . . . . 145 . CB . 6542 1 540 . 1 1 145 145 TYR N N 15 119.000 0.050 . 1 . . . . 145 . N . 6542 1 541 . 1 1 146 146 LYS H H 1 7.630 0.010 . 1 . . . . 146 . H . 6542 1 542 . 1 1 146 146 LYS CA C 13 59.010 0.200 . 1 . . . . 146 . CA . 6542 1 543 . 1 1 146 146 LYS CB C 13 31.950 0.200 . 1 . . . . 146 . CB . 6542 1 544 . 1 1 146 146 LYS N N 15 117.400 0.050 . 1 . . . . 146 . N . 6542 1 545 . 1 1 147 147 GLU H H 1 8.150 0.010 . 1 . . . . 147 . H . 6542 1 546 . 1 1 147 147 GLU CA C 13 59.040 0.200 . 1 . . . . 147 . CA . 6542 1 547 . 1 1 147 147 GLU CB C 13 29.820 0.200 . 1 . . . . 147 . CB . 6542 1 548 . 1 1 147 147 GLU N N 15 121.500 0.050 . 1 . . . . 147 . N . 6542 1 549 . 1 1 148 148 MET H H 1 8.740 0.010 . 1 . . . . 148 . H . 6542 1 550 . 1 1 148 148 MET CA C 13 59.050 0.200 . 1 . . . . 148 . CA . 6542 1 551 . 1 1 148 148 MET CB C 13 33.650 0.200 . 1 . . . . 148 . CB . 6542 1 552 . 1 1 148 148 MET N N 15 119.300 0.050 . 1 . . . . 148 . N . 6542 1 553 . 1 1 149 149 GLU H H 1 8.080 0.010 . 1 . . . . 149 . H . 6542 1 554 . 1 1 149 149 GLU CA C 13 59.670 0.200 . 1 . . . . 149 . CA . 6542 1 555 . 1 1 149 149 GLU CB C 13 28.400 0.200 . 1 . . . . 149 . CB . 6542 1 556 . 1 1 149 149 GLU N N 15 119.200 0.050 . 1 . . . . 149 . N . 6542 1 557 . 1 1 150 150 GLU H H 1 7.870 0.010 . 1 . . . . 150 . H . 6542 1 558 . 1 1 150 150 GLU CA C 13 59.460 0.200 . 1 . . . . 150 . CA . 6542 1 559 . 1 1 150 150 GLU CB C 13 28.320 0.200 . 1 . . . . 150 . CB . 6542 1 560 . 1 1 150 150 GLU N N 15 121.500 0.050 . 1 . . . . 150 . N . 6542 1 561 . 1 1 151 151 LYS H H 1 7.660 0.010 . 1 . . . . 151 . H . 6542 1 562 . 1 1 151 151 LYS CA C 13 59.020 0.200 . 1 . . . . 151 . CA . 6542 1 563 . 1 1 151 151 LYS CB C 13 31.950 0.200 . 1 . . . . 151 . CB . 6542 1 564 . 1 1 151 151 LYS N N 15 119.600 0.050 . 1 . . . . 151 . N . 6542 1 565 . 1 1 152 152 VAL H H 1 8.980 0.010 . 1 . . . . 152 . H . 6542 1 566 . 1 1 152 152 VAL CA C 13 66.300 0.200 . 1 . . . . 152 . CA . 6542 1 567 . 1 1 152 152 VAL CB C 13 30.830 0.200 . 1 . . . . 152 . CB . 6542 1 568 . 1 1 152 152 VAL N N 15 121.100 0.050 . 1 . . . . 152 . N . 6542 1 569 . 1 1 153 153 SER H H 1 8.890 0.010 . 1 . . . . 153 . H . 6542 1 570 . 1 1 153 153 SER CA C 13 62.210 0.200 . 1 . . . . 153 . CA . 6542 1 571 . 1 1 153 153 SER CB C 13 61.190 0.200 . 1 . . . . 153 . CB . 6542 1 572 . 1 1 153 153 SER N N 15 116.700 0.050 . 1 . . . . 153 . N . 6542 1 573 . 1 1 154 154 SER H H 1 7.600 0.010 . 1 . . . . 154 . H . 6542 1 574 . 1 1 154 154 SER CA C 13 61.190 0.200 . 1 . . . . 154 . CA . 6542 1 575 . 1 1 154 154 SER CB C 13 62.650 0.200 . 1 . . . . 154 . CB . 6542 1 576 . 1 1 154 154 SER N N 15 118.300 0.050 . 1 . . . . 154 . N . 6542 1 577 . 1 1 155 155 THR H H 1 7.430 0.010 . 1 . . . . 155 . H . 6542 1 578 . 1 1 155 155 THR CA C 13 66.940 0.200 . 1 . . . . 155 . CA . 6542 1 579 . 1 1 155 155 THR CB C 13 67.850 0.200 . 1 . . . . 155 . CB . 6542 1 580 . 1 1 155 155 THR N N 15 119.900 0.050 . 1 . . . . 155 . N . 6542 1 581 . 1 1 156 156 LEU H H 1 8.510 0.010 . 1 . . . . 156 . H . 6542 1 582 . 1 1 156 156 LEU CA C 13 56.910 0.200 . 1 . . . . 156 . CA . 6542 1 583 . 1 1 156 156 LEU CB C 13 38.660 0.200 . 1 . . . . 156 . CB . 6542 1 584 . 1 1 156 156 LEU N N 15 121.600 0.050 . 1 . . . . 156 . N . 6542 1 585 . 1 1 157 157 SER H H 1 8.240 0.010 . 1 . . . . 157 . H . 6542 1 586 . 1 1 157 157 SER CA C 13 61.200 0.200 . 1 . . . . 157 . CA . 6542 1 587 . 1 1 157 157 SER CB C 13 62.340 0.200 . 1 . . . . 157 . CB . 6542 1 588 . 1 1 157 157 SER N N 15 114.300 0.050 . 1 . . . . 157 . N . 6542 1 589 . 1 1 158 158 SER H H 1 7.200 0.010 . 1 . . . . 158 . H . 6542 1 590 . 1 1 158 158 SER CA C 13 58.250 0.200 . 1 . . . . 158 . CA . 6542 1 591 . 1 1 158 158 SER CB C 13 64.140 0.200 . 1 . . . . 158 . CB . 6542 1 592 . 1 1 158 158 SER N N 15 114.600 0.050 . 1 . . . . 158 . N . 6542 1 593 . 1 1 159 159 MET H H 1 7.130 0.010 . 1 . . . . 159 . H . 6542 1 594 . 1 1 159 159 MET CA C 13 56.820 0.200 . 1 . . . . 159 . CA . 6542 1 595 . 1 1 159 159 MET CB C 13 32.330 0.200 . 1 . . . . 159 . CB . 6542 1 596 . 1 1 159 159 MET N N 15 121.400 0.050 . 1 . . . . 159 . N . 6542 1 597 . 1 1 160 160 GLU H H 1 8.480 0.010 . 1 . . . . 160 . H . 6542 1 598 . 1 1 160 160 GLU CA C 13 54.600 0.200 . 1 . . . . 160 . CA . 6542 1 599 . 1 1 160 160 GLU CB C 13 33.100 0.200 . 1 . . . . 160 . CB . 6542 1 600 . 1 1 160 160 GLU N N 15 120.300 0.050 . 1 . . . . 160 . N . 6542 1 601 . 1 1 161 161 ASP H H 1 8.970 0.010 . 1 . . . . 161 . H . 6542 1 602 . 1 1 161 161 ASP CA C 13 55.470 0.200 . 1 . . . . 161 . CA . 6542 1 603 . 1 1 161 161 ASP CB C 13 39.360 0.200 . 1 . . . . 161 . CB . 6542 1 604 . 1 1 161 161 ASP N N 15 120.600 0.050 . 1 . . . . 161 . N . 6542 1 605 . 1 1 162 162 GLU H H 1 8.600 0.010 . 1 . . . . 162 . H . 6542 1 606 . 1 1 162 162 GLU CA C 13 58.390 0.200 . 1 . . . . 162 . CA . 6542 1 607 . 1 1 162 162 GLU CB C 13 28.590 0.200 . 1 . . . . 162 . CB . 6542 1 608 . 1 1 162 162 GLU N N 15 124.000 0.050 . 1 . . . . 162 . N . 6542 1 609 . 1 1 163 163 LEU H H 1 7.480 0.010 . 1 . . . . 163 . H . 6542 1 610 . 1 1 163 163 LEU CA C 13 54.030 0.200 . 1 . . . . 163 . CA . 6542 1 611 . 1 1 163 163 LEU CB C 13 40.720 0.200 . 1 . . . . 163 . CB . 6542 1 612 . 1 1 163 163 LEU N N 15 118.200 0.050 . 1 . . . . 163 . N . 6542 1 613 . 1 1 164 164 LYS H H 1 6.730 0.010 . 1 . . . . 164 . H . 6542 1 614 . 1 1 164 164 LYS CA C 13 56.360 0.200 . 1 . . . . 164 . CA . 6542 1 615 . 1 1 164 164 LYS CB C 13 32.120 0.200 . 1 . . . . 164 . CB . 6542 1 616 . 1 1 164 164 LYS N N 15 118.500 0.050 . 1 . . . . 164 . N . 6542 1 617 . 1 1 165 165 GLY H H 1 8.600 0.010 . 1 . . . . 165 . H . 6542 1 618 . 1 1 165 165 GLY CA C 13 46.290 0.200 . 1 . . . . 165 . CA . 6542 1 619 . 1 1 165 165 GLY N N 15 113.600 0.050 . 1 . . . . 165 . N . 6542 1 620 . 1 1 166 166 THR H H 1 6.980 0.010 . 1 . . . . 166 . H . 6542 1 621 . 1 1 166 166 THR CA C 13 61.450 0.200 . 1 . . . . 166 . CA . 6542 1 622 . 1 1 166 166 THR CB C 13 71.520 0.200 . 1 . . . . 166 . CB . 6542 1 623 . 1 1 166 166 THR N N 15 118.400 0.050 . 1 . . . . 166 . N . 6542 1 624 . 1 1 167 167 TYR H H 1 8.470 0.010 . 1 . . . . 167 . H . 6542 1 625 . 1 1 167 167 TYR CA C 13 57.010 0.200 . 1 . . . . 167 . CA . 6542 1 626 . 1 1 167 167 TYR CB C 13 39.590 0.200 . 1 . . . . 167 . CB . 6542 1 627 . 1 1 167 167 TYR N N 15 125.100 0.050 . 1 . . . . 167 . N . 6542 1 628 . 1 1 168 168 TYR H H 1 9.230 0.010 . 1 . . . . 168 . H . 6542 1 629 . 1 1 168 168 TYR CA C 13 53.670 0.200 . 1 . . . . 168 . CA . 6542 1 630 . 1 1 168 168 TYR CB C 13 38.430 0.200 . 1 . . . . 168 . CB . 6542 1 631 . 1 1 168 168 TYR N N 15 128.900 0.050 . 1 . . . . 168 . N . 6542 1 632 . 1 1 169 169 PRO CA C 13 61.690 0.200 . 1 . . . . 169 . CA . 6542 1 633 . 1 1 169 169 PRO CB C 13 30.740 0.200 . 1 . . . . 169 . CB . 6542 1 634 . 1 1 170 170 LEU H H 1 8.830 0.010 . 1 . . . . 170 . H . 6542 1 635 . 1 1 170 170 LEU CA C 13 57.930 0.200 . 1 . . . . 170 . CA . 6542 1 636 . 1 1 170 170 LEU CB C 13 40.370 0.200 . 1 . . . . 170 . CB . 6542 1 637 . 1 1 170 170 LEU N N 15 122.200 0.050 . 1 . . . . 170 . N . 6542 1 638 . 1 1 171 171 THR H H 1 8.260 0.010 . 1 . . . . 171 . H . 6542 1 639 . 1 1 171 171 THR CA C 13 64.860 0.200 . 1 . . . . 171 . CA . 6542 1 640 . 1 1 171 171 THR CB C 13 67.850 0.200 . 1 . . . . 171 . CB . 6542 1 641 . 1 1 171 171 THR N N 15 117.900 0.050 . 1 . . . . 171 . N . 6542 1 642 . 1 1 172 172 GLY H H 1 9.020 0.010 . 1 . . . . 172 . H . 6542 1 643 . 1 1 172 172 GLY CA C 13 45.090 0.200 . 1 . . . . 172 . CA . 6542 1 644 . 1 1 172 172 GLY N N 15 117.700 0.050 . 1 . . . . 172 . N . 6542 1 645 . 1 1 173 173 MET H H 1 7.050 0.010 . 1 . . . . 173 . H . 6542 1 646 . 1 1 173 173 MET CA C 13 56.610 0.200 . 1 . . . . 173 . CA . 6542 1 647 . 1 1 173 173 MET CB C 13 33.640 0.200 . 1 . . . . 173 . CB . 6542 1 648 . 1 1 173 173 MET N N 15 121.500 0.050 . 1 . . . . 173 . N . 6542 1 649 . 1 1 174 174 SER H H 1 9.120 0.010 . 1 . . . . 174 . H . 6542 1 650 . 1 1 174 174 SER CA C 13 57.330 0.200 . 1 . . . . 174 . CA . 6542 1 651 . 1 1 174 174 SER CB C 13 64.790 0.200 . 1 . . . . 174 . CB . 6542 1 652 . 1 1 174 174 SER N N 15 126.300 0.050 . 1 . . . . 174 . N . 6542 1 653 . 1 1 175 175 LYS H H 1 8.830 0.010 . 1 . . . . 175 . H . 6542 1 654 . 1 1 175 175 LYS CA C 13 58.840 0.200 . 1 . . . . 175 . CA . 6542 1 655 . 1 1 175 175 LYS CB C 13 30.850 0.200 . 1 . . . . 175 . CB . 6542 1 656 . 1 1 175 175 LYS N N 15 122.900 0.050 . 1 . . . . 175 . N . 6542 1 657 . 1 1 176 176 ALA H H 1 8.340 0.010 . 1 . . . . 176 . H . 6542 1 658 . 1 1 176 176 ALA CA C 13 54.750 0.200 . 1 . . . . 176 . CA . 6542 1 659 . 1 1 176 176 ALA CB C 13 17.230 0.200 . 1 . . . . 176 . CB . 6542 1 660 . 1 1 176 176 ALA N N 15 121.600 0.050 . 1 . . . . 176 . N . 6542 1 661 . 1 1 177 177 THR H H 1 7.900 0.010 . 1 . . . . 177 . H . 6542 1 662 . 1 1 177 177 THR CA C 13 65.880 0.200 . 1 . . . . 177 . CA . 6542 1 663 . 1 1 177 177 THR CB C 13 67.550 0.200 . 1 . . . . 177 . CB . 6542 1 664 . 1 1 177 177 THR N N 15 119.100 0.050 . 1 . . . . 177 . N . 6542 1 665 . 1 1 178 178 GLN H H 1 8.240 0.010 . 1 . . . . 178 . H . 6542 1 666 . 1 1 178 178 GLN CA C 13 59.490 0.200 . 1 . . . . 178 . CA . 6542 1 667 . 1 1 178 178 GLN CB C 13 28.180 0.200 . 1 . . . . 178 . CB . 6542 1 668 . 1 1 178 178 GLN N N 15 121.200 0.050 . 1 . . . . 178 . N . 6542 1 669 . 1 1 179 179 GLN H H 1 8.090 0.010 . 1 . . . . 179 . H . 6542 1 670 . 1 1 179 179 GLN CA C 13 57.810 0.200 . 1 . . . . 179 . CA . 6542 1 671 . 1 1 179 179 GLN CB C 13 27.510 0.200 . 1 . . . . 179 . CB . 6542 1 672 . 1 1 179 179 GLN N N 15 116.800 0.050 . 1 . . . . 179 . N . 6542 1 673 . 1 1 180 180 GLN H H 1 7.560 0.010 . 1 . . . . 180 . H . 6542 1 674 . 1 1 180 180 GLN CA C 13 58.130 0.200 . 1 . . . . 180 . CA . 6542 1 675 . 1 1 180 180 GLN CB C 13 27.840 0.200 . 1 . . . . 180 . CB . 6542 1 676 . 1 1 180 180 GLN N N 15 119.500 0.050 . 1 . . . . 180 . N . 6542 1 677 . 1 1 181 181 LEU H H 1 7.900 0.010 . 1 . . . . 181 . H . 6542 1 678 . 1 1 181 181 LEU CA C 13 57.040 0.200 . 1 . . . . 181 . CA . 6542 1 679 . 1 1 181 181 LEU CB C 13 41.530 0.200 . 1 . . . . 181 . CB . 6542 1 680 . 1 1 181 181 LEU N N 15 118.000 0.050 . 1 . . . . 181 . N . 6542 1 681 . 1 1 182 182 ILE H H 1 8.560 0.010 . 1 . . . . 182 . H . 6542 1 682 . 1 1 182 182 ILE CA C 13 65.050 0.200 . 1 . . . . 182 . CA . 6542 1 683 . 1 1 182 182 ILE CB C 13 37.030 0.200 . 1 . . . . 182 . CB . 6542 1 684 . 1 1 182 182 ILE N N 15 124.400 0.050 . 1 . . . . 182 . N . 6542 1 685 . 1 1 183 183 ASP H H 1 8.320 0.010 . 1 . . . . 183 . H . 6542 1 686 . 1 1 183 183 ASP CA C 13 57.050 0.200 . 1 . . . . 183 . CA . 6542 1 687 . 1 1 183 183 ASP CB C 13 38.980 0.200 . 1 . . . . 183 . CB . 6542 1 688 . 1 1 183 183 ASP N N 15 124.700 0.050 . 1 . . . . 183 . N . 6542 1 689 . 1 1 184 184 ASP H H 1 7.000 0.010 . 1 . . . . 184 . H . 6542 1 690 . 1 1 184 184 ASP CA C 13 54.270 0.200 . 1 . . . . 184 . CA . 6542 1 691 . 1 1 184 184 ASP CB C 13 40.490 0.200 . 1 . . . . 184 . CB . 6542 1 692 . 1 1 184 184 ASP N N 15 116.700 0.050 . 1 . . . . 184 . N . 6542 1 693 . 1 1 185 185 HIS H H 1 7.840 0.010 . 1 . . . . 185 . H . 6542 1 694 . 1 1 185 185 HIS CA C 13 56.190 0.200 . 1 . . . . 185 . CA . 6542 1 695 . 1 1 185 185 HIS CB C 13 25.160 0.200 . 1 . . . . 185 . CB . 6542 1 696 . 1 1 185 185 HIS N N 15 113.600 0.050 . 1 . . . . 185 . N . 6542 1 697 . 1 1 186 186 PHE H H 1 8.530 0.010 . 1 . . . . 186 . H . 6542 1 698 . 1 1 186 186 PHE CA C 13 53.480 0.200 . 1 . . . . 186 . CA . 6542 1 699 . 1 1 186 186 PHE CB C 13 40.110 0.200 . 1 . . . . 186 . CB . 6542 1 700 . 1 1 186 186 PHE N N 15 115.200 0.050 . 1 . . . . 186 . N . 6542 1 701 . 1 1 187 187 LEU H H 1 7.230 0.010 . 1 . . . . 187 . H . 6542 1 702 . 1 1 187 187 LEU CA C 13 54.740 0.200 . 1 . . . . 187 . CA . 6542 1 703 . 1 1 187 187 LEU CB C 13 42.560 0.200 . 1 . . . . 187 . CB . 6542 1 704 . 1 1 187 187 LEU N N 15 121.100 0.050 . 1 . . . . 187 . N . 6542 1 705 . 1 1 188 188 PHE H H 1 5.670 0.010 . 1 . . . . 188 . H . 6542 1 706 . 1 1 188 188 PHE CA C 13 54.010 0.200 . 1 . . . . 188 . CA . 6542 1 707 . 1 1 188 188 PHE CB C 13 38.830 0.200 . 1 . . . . 188 . CB . 6542 1 708 . 1 1 188 188 PHE N N 15 119.600 0.050 . 1 . . . . 188 . N . 6542 1 709 . 1 1 189 189 LYS H H 1 8.200 0.010 . 1 . . . . 189 . H . 6542 1 710 . 1 1 189 189 LYS CA C 13 53.890 0.200 . 1 . . . . 189 . CA . 6542 1 711 . 1 1 189 189 LYS CB C 13 34.230 0.200 . 1 . . . . 189 . CB . 6542 1 712 . 1 1 189 189 LYS N N 15 118.300 0.050 . 1 . . . . 189 . N . 6542 1 713 . 1 1 190 190 GLU H H 1 8.240 0.010 . 1 . . . . 190 . H . 6542 1 714 . 1 1 190 190 GLU CA C 13 56.950 0.200 . 1 . . . . 190 . CA . 6542 1 715 . 1 1 190 190 GLU CB C 13 28.370 0.200 . 1 . . . . 190 . CB . 6542 1 716 . 1 1 190 190 GLU N N 15 119.600 0.050 . 1 . . . . 190 . N . 6542 1 717 . 1 1 191 191 GLY H H 1 6.900 0.010 . 1 . . . . 191 . H . 6542 1 718 . 1 1 191 191 GLY CA C 13 44.800 0.200 . 1 . . . . 191 . CA . 6542 1 719 . 1 1 191 191 GLY N N 15 109.700 0.050 . 1 . . . . 191 . N . 6542 1 720 . 1 1 192 192 ASP H H 1 7.810 0.010 . 1 . . . . 192 . H . 6542 1 721 . 1 1 192 192 ASP CA C 13 52.550 0.200 . 1 . . . . 192 . CA . 6542 1 722 . 1 1 192 192 ASP CB C 13 40.800 0.200 . 1 . . . . 192 . CB . 6542 1 723 . 1 1 192 192 ASP N N 15 119.200 0.050 . 1 . . . . 192 . N . 6542 1 724 . 1 1 193 193 ARG H H 1 8.250 0.010 . 1 . . . . 193 . H . 6542 1 725 . 1 1 193 193 ARG CA C 13 58.360 0.200 . 1 . . . . 193 . CA . 6542 1 726 . 1 1 193 193 ARG CB C 13 28.280 0.200 . 1 . . . . 193 . CB . 6542 1 727 . 1 1 193 193 ARG N N 15 114.700 0.050 . 1 . . . . 193 . N . 6542 1 728 . 1 1 194 194 PHE H H 1 7.690 0.010 . 1 . . . . 194 . H . 6542 1 729 . 1 1 194 194 PHE CA C 13 60.780 0.200 . 1 . . . . 194 . CA . 6542 1 730 . 1 1 194 194 PHE CB C 13 36.390 0.200 . 1 . . . . 194 . CB . 6542 1 731 . 1 1 194 194 PHE N N 15 122.000 0.050 . 1 . . . . 194 . N . 6542 1 732 . 1 1 195 195 LEU H H 1 7.360 0.010 . 1 . . . . 195 . H . 6542 1 733 . 1 1 195 195 LEU CA C 13 56.640 0.200 . 1 . . . . 195 . CA . 6542 1 734 . 1 1 195 195 LEU CB C 13 40.920 0.200 . 1 . . . . 195 . CB . 6542 1 735 . 1 1 195 195 LEU N N 15 119.900 0.050 . 1 . . . . 195 . N . 6542 1 736 . 1 1 196 196 GLN H H 1 9.200 0.010 . 1 . . . . 196 . H . 6542 1 737 . 1 1 196 196 GLN CA C 13 58.410 0.200 . 1 . . . . 196 . CA . 6542 1 738 . 1 1 196 196 GLN CB C 13 27.030 0.200 . 1 . . . . 196 . CB . 6542 1 739 . 1 1 196 196 GLN N N 15 121.000 0.050 . 1 . . . . 196 . N . 6542 1 740 . 1 1 197 197 THR H H 1 7.590 0.010 . 1 . . . . 197 . H . 6542 1 741 . 1 1 197 197 THR CA C 13 63.300 0.200 . 1 . . . . 197 . CA . 6542 1 742 . 1 1 197 197 THR CB C 13 69.010 0.200 . 1 . . . . 197 . CB . 6542 1 743 . 1 1 197 197 THR N N 15 108.200 0.050 . 1 . . . . 197 . N . 6542 1 744 . 1 1 198 198 ALA H H 1 6.820 0.010 . 1 . . . . 198 . H . 6542 1 745 . 1 1 198 198 ALA CA C 13 51.000 0.200 . 1 . . . . 198 . CA . 6542 1 746 . 1 1 198 198 ALA CB C 13 18.740 0.200 . 1 . . . . 198 . CB . 6542 1 747 . 1 1 198 198 ALA N N 15 120.600 0.050 . 1 . . . . 198 . N . 6542 1 748 . 1 1 199 199 ASN H H 1 7.840 0.010 . 1 . . . . 199 . H . 6542 1 749 . 1 1 199 199 ASN CA C 13 53.240 0.200 . 1 . . . . 199 . CA . 6542 1 750 . 1 1 199 199 ASN CB C 13 34.140 0.200 . 1 . . . . 199 . CB . 6542 1 751 . 1 1 199 199 ASN N N 15 112.900 0.050 . 1 . . . . 199 . N . 6542 1 752 . 1 1 200 200 ALA H H 1 7.540 0.010 . 1 . . . . 200 . H . 6542 1 753 . 1 1 200 200 ALA CA C 13 52.360 0.200 . 1 . . . . 200 . CA . 6542 1 754 . 1 1 200 200 ALA CB C 13 20.200 0.200 . 1 . . . . 200 . CB . 6542 1 755 . 1 1 200 200 ALA N N 15 114.800 0.050 . 1 . . . . 200 . N . 6542 1 756 . 1 1 201 201 CYS H H 1 8.410 0.010 . 1 . . . . 201 . H . 6542 1 757 . 1 1 201 201 CYS CA C 13 55.860 0.200 . 1 . . . . 201 . CA . 6542 1 758 . 1 1 201 201 CYS CB C 13 29.020 0.200 . 1 . . . . 201 . CB . 6542 1 759 . 1 1 201 201 CYS N N 15 117.300 0.050 . 1 . . . . 201 . N . 6542 1 760 . 1 1 202 202 ARG H H 1 9.160 0.010 . 1 . . . . 202 . H . 6542 1 761 . 1 1 202 202 ARG CA C 13 57.410 0.200 . 1 . . . . 202 . CA . 6542 1 762 . 1 1 202 202 ARG CB C 13 30.220 0.200 . 1 . . . . 202 . CB . 6542 1 763 . 1 1 202 202 ARG N N 15 123.000 0.050 . 1 . . . . 202 . N . 6542 1 764 . 1 1 205 205 PRO CA C 13 63.480 0.200 . 1 . . . . 205 . CA . 6542 1 765 . 1 1 205 205 PRO CB C 13 30.880 0.200 . 1 . . . . 205 . CB . 6542 1 766 . 1 1 206 206 THR H H 1 8.840 0.010 . 1 . . . . 206 . H . 6542 1 767 . 1 1 206 206 THR CA C 13 64.760 0.200 . 1 . . . . 206 . CA . 6542 1 768 . 1 1 206 206 THR CB C 13 67.960 0.200 . 1 . . . . 206 . CB . 6542 1 769 . 1 1 206 206 THR N N 15 123.300 0.050 . 1 . . . . 206 . N . 6542 1 770 . 1 1 207 207 GLY H H 1 8.580 0.010 . 1 . . . . 207 . H . 6542 1 771 . 1 1 207 207 GLY CA C 13 45.590 0.200 . 1 . . . . 207 . CA . 6542 1 772 . 1 1 207 207 GLY N N 15 113.100 0.050 . 1 . . . . 207 . N . 6542 1 773 . 1 1 208 208 ARG H H 1 7.660 0.010 . 1 . . . . 208 . H . 6542 1 774 . 1 1 208 208 ARG CA C 13 54.440 0.200 . 1 . . . . 208 . CA . 6542 1 775 . 1 1 208 208 ARG CB C 13 31.150 0.200 . 1 . . . . 208 . CB . 6542 1 776 . 1 1 208 208 ARG N N 15 120.400 0.050 . 1 . . . . 208 . N . 6542 1 777 . 1 1 209 209 GLY H H 1 8.270 0.010 . 1 . . . . 209 . H . 6542 1 778 . 1 1 209 209 GLY CA C 13 45.590 0.200 . 1 . . . . 209 . CA . 6542 1 779 . 1 1 209 209 GLY N N 15 108.600 0.050 . 1 . . . . 209 . N . 6542 1 780 . 1 1 210 210 ILE H H 1 8.200 0.010 . 1 . . . . 210 . H . 6542 1 781 . 1 1 210 210 ILE CA C 13 59.080 0.200 . 1 . . . . 210 . CA . 6542 1 782 . 1 1 210 210 ILE CB C 13 42.130 0.200 . 1 . . . . 210 . CB . 6542 1 783 . 1 1 210 210 ILE N N 15 119.000 0.050 . 1 . . . . 210 . N . 6542 1 784 . 1 1 211 211 PHE H H 1 9.670 0.010 . 1 . . . . 211 . H . 6542 1 785 . 1 1 211 211 PHE CA C 13 54.710 0.200 . 1 . . . . 211 . CA . 6542 1 786 . 1 1 211 211 PHE CB C 13 45.070 0.200 . 1 . . . . 211 . CB . 6542 1 787 . 1 1 211 211 PHE N N 15 127.000 0.050 . 1 . . . . 211 . N . 6542 1 788 . 1 1 212 212 HIS H H 1 7.170 0.010 . 1 . . . . 212 . H . 6542 1 789 . 1 1 212 212 HIS CA C 13 53.810 0.200 . 1 . . . . 212 . CA . 6542 1 790 . 1 1 212 212 HIS CB C 13 32.120 0.200 . 1 . . . . 212 . CB . 6542 1 791 . 1 1 212 212 HIS N N 15 120.400 0.050 . 1 . . . . 212 . N . 6542 1 792 . 1 1 213 213 ASN H H 1 8.690 0.010 . 1 . . . . 213 . H . 6542 1 793 . 1 1 213 213 ASN CA C 13 51.740 0.200 . 1 . . . . 213 . CA . 6542 1 794 . 1 1 213 213 ASN CB C 13 38.400 0.200 . 1 . . . . 213 . CB . 6542 1 795 . 1 1 213 213 ASN N N 15 118.800 0.050 . 1 . . . . 213 . N . 6542 1 796 . 1 1 214 214 ASP H H 1 9.050 0.010 . 1 . . . . 214 . H . 6542 1 797 . 1 1 214 214 ASP CA C 13 57.970 0.200 . 1 . . . . 214 . CA . 6542 1 798 . 1 1 214 214 ASP CB C 13 38.920 0.200 . 1 . . . . 214 . CB . 6542 1 799 . 1 1 214 214 ASP N N 15 127.800 0.050 . 1 . . . . 214 . N . 6542 1 800 . 1 1 215 215 ALA H H 1 8.110 0.010 . 1 . . . . 215 . H . 6542 1 801 . 1 1 215 215 ALA CA C 13 52.520 0.200 . 1 . . . . 215 . CA . 6542 1 802 . 1 1 215 215 ALA CB C 13 18.730 0.200 . 1 . . . . 215 . CB . 6542 1 803 . 1 1 215 215 ALA N N 15 117.800 0.050 . 1 . . . . 215 . N . 6542 1 804 . 1 1 216 216 LYS H H 1 7.960 0.010 . 1 . . . . 216 . H . 6542 1 805 . 1 1 216 216 LYS CA C 13 58.530 0.200 . 1 . . . . 216 . CA . 6542 1 806 . 1 1 216 216 LYS CB C 13 28.410 0.200 . 1 . . . . 216 . CB . 6542 1 807 . 1 1 216 216 LYS N N 15 113.600 0.050 . 1 . . . . 216 . N . 6542 1 808 . 1 1 217 217 THR H H 1 8.820 0.010 . 1 . . . . 217 . H . 6542 1 809 . 1 1 217 217 THR CA C 13 59.760 0.200 . 1 . . . . 217 . CA . 6542 1 810 . 1 1 217 217 THR CB C 13 70.600 0.200 . 1 . . . . 217 . CB . 6542 1 811 . 1 1 217 217 THR N N 15 107.700 0.050 . 1 . . . . 217 . N . 6542 1 812 . 1 1 218 218 PHE H H 1 7.810 0.010 . 1 . . . . 218 . H . 6542 1 813 . 1 1 218 218 PHE CA C 13 56.340 0.200 . 1 . . . . 218 . CA . 6542 1 814 . 1 1 218 218 PHE CB C 13 42.640 0.200 . 1 . . . . 218 . CB . 6542 1 815 . 1 1 218 218 PHE N N 15 123.600 0.050 . 1 . . . . 218 . N . 6542 1 816 . 1 1 219 219 LEU H H 1 8.640 0.010 . 1 . . . . 219 . H . 6542 1 817 . 1 1 219 219 LEU CA C 13 52.630 0.200 . 1 . . . . 219 . CA . 6542 1 818 . 1 1 219 219 LEU CB C 13 46.250 0.200 . 1 . . . . 219 . CB . 6542 1 819 . 1 1 219 219 LEU N N 15 130.100 0.050 . 1 . . . . 219 . N . 6542 1 820 . 1 1 220 220 VAL H H 1 9.470 0.010 . 1 . . . . 220 . H . 6542 1 821 . 1 1 220 220 VAL CA C 13 59.300 0.200 . 1 . . . . 220 . CA . 6542 1 822 . 1 1 220 220 VAL CB C 13 35.440 0.200 . 1 . . . . 220 . CB . 6542 1 823 . 1 1 220 220 VAL N N 15 123.200 0.050 . 1 . . . . 220 . N . 6542 1 824 . 1 1 221 221 TRP H H 1 9.150 0.010 . 1 . . . . 221 . H . 6542 1 825 . 1 1 221 221 TRP CA C 13 52.940 0.200 . 1 . . . . 221 . CA . 6542 1 826 . 1 1 221 221 TRP CB C 13 31.720 0.200 . 1 . . . . 221 . CB . 6542 1 827 . 1 1 221 221 TRP N N 15 126.100 0.050 . 1 . . . . 221 . N . 6542 1 828 . 1 1 222 222 VAL H H 1 9.510 0.010 . 1 . . . . 222 . H . 6542 1 829 . 1 1 222 222 VAL CA C 13 61.500 0.200 . 1 . . . . 222 . CA . 6542 1 830 . 1 1 222 222 VAL CB C 13 32.010 0.200 . 1 . . . . 222 . CB . 6542 1 831 . 1 1 222 222 VAL N N 15 129.600 0.050 . 1 . . . . 222 . N . 6542 1 832 . 1 1 223 223 ASN H H 1 9.150 0.010 . 1 . . . . 223 . H . 6542 1 833 . 1 1 223 223 ASN CA C 13 55.540 0.200 . 1 . . . . 223 . CA . 6542 1 834 . 1 1 223 223 ASN CB C 13 35.800 0.200 . 1 . . . . 223 . CB . 6542 1 835 . 1 1 223 223 ASN N N 15 120.000 0.050 . 1 . . . . 223 . N . 6542 1 836 . 1 1 224 224 GLU H H 1 7.910 0.010 . 1 . . . . 224 . H . 6542 1 837 . 1 1 224 224 GLU CA C 13 57.880 0.200 . 1 . . . . 224 . CA . 6542 1 838 . 1 1 224 224 GLU CB C 13 24.640 0.200 . 1 . . . . 224 . CB . 6542 1 839 . 1 1 224 224 GLU N N 15 120.000 0.050 . 1 . . . . 224 . N . 6542 1 840 . 1 1 226 226 ASP CA C 13 53.120 0.200 . 1 . . . . 226 . CA . 6542 1 841 . 1 1 226 226 ASP CB C 13 44.660 0.200 . 1 . . . . 226 . CB . 6542 1 842 . 1 1 227 227 HIS H H 1 8.390 0.010 . 1 . . . . 227 . H . 6542 1 843 . 1 1 227 227 HIS CA C 13 58.380 0.200 . 1 . . . . 227 . CA . 6542 1 844 . 1 1 227 227 HIS CB C 13 31.500 0.200 . 1 . . . . 227 . CB . 6542 1 845 . 1 1 227 227 HIS N N 15 121.200 0.050 . 1 . . . . 227 . N . 6542 1 846 . 1 1 228 228 LEU H H 1 8.040 0.010 . 1 . . . . 228 . H . 6542 1 847 . 1 1 228 228 LEU CA C 13 53.550 0.200 . 1 . . . . 228 . CA . 6542 1 848 . 1 1 228 228 LEU CB C 13 45.680 0.200 . 1 . . . . 228 . CB . 6542 1 849 . 1 1 228 228 LEU N N 15 110.700 0.050 . 1 . . . . 228 . N . 6542 1 850 . 1 1 229 229 ARG H H 1 8.360 0.010 . 1 . . . . 229 . H . 6542 1 851 . 1 1 229 229 ARG CA C 13 55.220 0.200 . 1 . . . . 229 . CA . 6542 1 852 . 1 1 229 229 ARG CB C 13 31.940 0.200 . 1 . . . . 229 . CB . 6542 1 853 . 1 1 229 229 ARG N N 15 123.200 0.050 . 1 . . . . 229 . N . 6542 1 854 . 1 1 230 230 ILE H H 1 8.810 0.010 . 1 . . . . 230 . H . 6542 1 855 . 1 1 230 230 ILE CA C 13 61.300 0.200 . 1 . . . . 230 . CA . 6542 1 856 . 1 1 230 230 ILE CB C 13 39.410 0.200 . 1 . . . . 230 . CB . 6542 1 857 . 1 1 230 230 ILE N N 15 128.200 0.050 . 1 . . . . 230 . N . 6542 1 858 . 1 1 231 231 ILE H H 1 9.040 0.010 . 1 . . . . 231 . H . 6542 1 859 . 1 1 231 231 ILE CA C 13 60.120 0.200 . 1 . . . . 231 . CA . 6542 1 860 . 1 1 231 231 ILE CB C 13 40.720 0.200 . 1 . . . . 231 . CB . 6542 1 861 . 1 1 231 231 ILE N N 15 127.000 0.050 . 1 . . . . 231 . N . 6542 1 862 . 1 1 232 232 SER H H 1 8.610 0.010 . 1 . . . . 232 . H . 6542 1 863 . 1 1 232 232 SER CA C 13 54.220 0.200 . 1 . . . . 232 . CA . 6542 1 864 . 1 1 232 232 SER CB C 13 65.510 0.200 . 1 . . . . 232 . CB . 6542 1 865 . 1 1 232 232 SER N N 15 120.000 0.050 . 1 . . . . 232 . N . 6542 1 866 . 1 1 233 233 MET H H 1 8.900 0.010 . 1 . . . . 233 . H . 6542 1 867 . 1 1 233 233 MET CA C 13 54.740 0.200 . 1 . . . . 233 . CA . 6542 1 868 . 1 1 233 233 MET CB C 13 35.200 0.200 . 1 . . . . 233 . CB . 6542 1 869 . 1 1 233 233 MET N N 15 126.000 0.050 . 1 . . . . 233 . N . 6542 1 870 . 1 1 234 234 GLN H H 1 8.230 0.010 . 1 . . . . 234 . H . 6542 1 871 . 1 1 234 234 GLN CA C 13 55.070 0.200 . 1 . . . . 234 . CA . 6542 1 872 . 1 1 234 234 GLN CB C 13 31.640 0.200 . 1 . . . . 234 . CB . 6542 1 873 . 1 1 234 234 GLN N N 15 111.300 0.050 . 1 . . . . 234 . N . 6542 1 874 . 1 1 235 235 LYS H H 1 8.260 0.010 . 1 . . . . 235 . H . 6542 1 875 . 1 1 235 235 LYS CA C 13 56.260 0.200 . 1 . . . . 235 . CA . 6542 1 876 . 1 1 235 235 LYS CB C 13 31.920 0.200 . 1 . . . . 235 . CB . 6542 1 877 . 1 1 235 235 LYS N N 15 118.800 0.050 . 1 . . . . 235 . N . 6542 1 878 . 1 1 236 236 GLY H H 1 8.160 0.010 . 1 . . . . 236 . H . 6542 1 879 . 1 1 236 236 GLY CA C 13 44.430 0.200 . 1 . . . . 236 . CA . 6542 1 880 . 1 1 236 236 GLY N N 15 112.500 0.050 . 1 . . . . 236 . N . 6542 1 881 . 1 1 237 237 GLY H H 1 8.560 0.010 . 1 . . . . 237 . H . 6542 1 882 . 1 1 237 237 GLY CA C 13 46.220 0.200 . 1 . . . . 237 . CA . 6542 1 883 . 1 1 237 237 GLY N N 15 106.100 0.050 . 1 . . . . 237 . N . 6542 1 884 . 1 1 238 238 ASP H H 1 8.700 0.010 . 1 . . . . 238 . H . 6542 1 885 . 1 1 238 238 ASP CA C 13 52.930 0.200 . 1 . . . . 238 . CA . 6542 1 886 . 1 1 238 238 ASP CB C 13 37.040 0.200 . 1 . . . . 238 . CB . 6542 1 887 . 1 1 238 238 ASP N N 15 121.400 0.050 . 1 . . . . 238 . N . 6542 1 888 . 1 1 239 239 LEU H H 1 8.410 0.010 . 1 . . . . 239 . H . 6542 1 889 . 1 1 239 239 LEU CA C 13 56.840 0.200 . 1 . . . . 239 . CA . 6542 1 890 . 1 1 239 239 LEU CB C 13 41.160 0.200 . 1 . . . . 239 . CB . 6542 1 891 . 1 1 239 239 LEU N N 15 128.200 0.050 . 1 . . . . 239 . N . 6542 1 892 . 1 1 240 240 LYS H H 1 6.950 0.010 . 1 . . . . 240 . H . 6542 1 893 . 1 1 240 240 LYS CA C 13 60.300 0.200 . 1 . . . . 240 . CA . 6542 1 894 . 1 1 240 240 LYS CB C 13 30.380 0.200 . 1 . . . . 240 . CB . 6542 1 895 . 1 1 240 240 LYS N N 15 117.700 0.050 . 1 . . . . 240 . N . 6542 1 896 . 1 1 241 241 THR H H 1 7.220 0.010 . 1 . . . . 241 . H . 6542 1 897 . 1 1 241 241 THR CA C 13 66.150 0.200 . 1 . . . . 241 . CA . 6542 1 898 . 1 1 241 241 THR CB C 13 67.000 0.200 . 1 . . . . 241 . CB . 6542 1 899 . 1 1 241 241 THR N N 15 116.800 0.050 . 1 . . . . 241 . N . 6542 1 900 . 1 1 242 242 VAL H H 1 7.930 0.010 . 1 . . . . 242 . H . 6542 1 901 . 1 1 242 242 VAL CA C 13 66.130 0.200 . 1 . . . . 242 . CA . 6542 1 902 . 1 1 242 242 VAL CB C 13 31.490 0.200 . 1 . . . . 242 . CB . 6542 1 903 . 1 1 242 242 VAL N N 15 121.800 0.050 . 1 . . . . 242 . N . 6542 1 904 . 1 1 243 243 TYR H H 1 9.110 0.010 . 1 . . . . 243 . H . 6542 1 905 . 1 1 243 243 TYR CA C 13 60.640 0.200 . 1 . . . . 243 . CA . 6542 1 906 . 1 1 243 243 TYR CB C 13 38.770 0.200 . 1 . . . . 243 . CB . 6542 1 907 . 1 1 243 243 TYR N N 15 122.900 0.050 . 1 . . . . 243 . N . 6542 1 908 . 1 1 244 244 LYS H H 1 8.630 0.010 . 1 . . . . 244 . H . 6542 1 909 . 1 1 244 244 LYS CA C 13 59.340 0.200 . 1 . . . . 244 . CA . 6542 1 910 . 1 1 244 244 LYS CB C 13 31.440 0.200 . 1 . . . . 244 . CB . 6542 1 911 . 1 1 244 244 LYS N N 15 119.400 0.050 . 1 . . . . 244 . N . 6542 1 912 . 1 1 245 245 ARG H H 1 7.750 0.010 . 1 . . . . 245 . H . 6542 1 913 . 1 1 245 245 ARG CA C 13 58.900 0.200 . 1 . . . . 245 . CA . 6542 1 914 . 1 1 245 245 ARG CB C 13 28.790 0.200 . 1 . . . . 245 . CB . 6542 1 915 . 1 1 245 245 ARG N N 15 120.300 0.050 . 1 . . . . 245 . N . 6542 1 916 . 1 1 246 246 LEU H H 1 6.990 0.010 . 1 . . . . 246 . H . 6542 1 917 . 1 1 246 246 LEU CA C 13 58.340 0.200 . 1 . . . . 246 . CA . 6542 1 918 . 1 1 246 246 LEU CB C 13 40.880 0.200 . 1 . . . . 246 . CB . 6542 1 919 . 1 1 246 246 LEU N N 15 118.900 0.050 . 1 . . . . 246 . N . 6542 1 920 . 1 1 247 247 VAL H H 1 7.850 0.010 . 1 . . . . 247 . H . 6542 1 921 . 1 1 247 247 VAL CA C 13 65.320 0.200 . 1 . . . . 247 . CA . 6542 1 922 . 1 1 247 247 VAL CB C 13 29.600 0.200 . 1 . . . . 247 . CB . 6542 1 923 . 1 1 247 247 VAL N N 15 118.000 0.050 . 1 . . . . 247 . N . 6542 1 924 . 1 1 248 248 THR H H 1 7.500 0.010 . 1 . . . . 248 . H . 6542 1 925 . 1 1 248 248 THR CA C 13 65.440 0.200 . 1 . . . . 248 . CA . 6542 1 926 . 1 1 248 248 THR CB C 13 68.620 0.200 . 1 . . . . 248 . CB . 6542 1 927 . 1 1 248 248 THR N N 15 113.100 0.050 . 1 . . . . 248 . N . 6542 1 928 . 1 1 249 249 ALA H H 1 7.760 0.010 . 1 . . . . 249 . H . 6542 1 929 . 1 1 249 249 ALA CA C 13 54.980 0.200 . 1 . . . . 249 . CA . 6542 1 930 . 1 1 249 249 ALA CB C 13 20.300 0.200 . 1 . . . . 249 . CB . 6542 1 931 . 1 1 249 249 ALA N N 15 123.000 0.050 . 1 . . . . 249 . N . 6542 1 932 . 1 1 250 250 VAL H H 1 8.850 0.010 . 1 . . . . 250 . H . 6542 1 933 . 1 1 250 250 VAL CA C 13 67.860 0.200 . 1 . . . . 250 . CA . 6542 1 934 . 1 1 250 250 VAL CB C 13 30.490 0.200 . 1 . . . . 250 . CB . 6542 1 935 . 1 1 250 250 VAL N N 15 118.900 0.050 . 1 . . . . 250 . N . 6542 1 936 . 1 1 251 251 ASP H H 1 8.410 0.010 . 1 . . . . 251 . H . 6542 1 937 . 1 1 251 251 ASP CA C 13 57.120 0.200 . 1 . . . . 251 . CA . 6542 1 938 . 1 1 251 251 ASP CB C 13 38.680 0.200 . 1 . . . . 251 . CB . 6542 1 939 . 1 1 251 251 ASP N N 15 119.100 0.050 . 1 . . . . 251 . N . 6542 1 940 . 1 1 252 252 ASN H H 1 7.850 0.010 . 1 . . . . 252 . H . 6542 1 941 . 1 1 252 252 ASN CA C 13 56.190 0.200 . 1 . . . . 252 . CA . 6542 1 942 . 1 1 252 252 ASN CB C 13 37.990 0.200 . 1 . . . . 252 . CB . 6542 1 943 . 1 1 252 252 ASN N N 15 119.600 0.050 . 1 . . . . 252 . N . 6542 1 944 . 1 1 253 253 ILE H H 1 8.630 0.010 . 1 . . . . 253 . H . 6542 1 945 . 1 1 253 253 ILE CA C 13 65.710 0.200 . 1 . . . . 253 . CA . 6542 1 946 . 1 1 253 253 ILE CB C 13 37.880 0.200 . 1 . . . . 253 . CB . 6542 1 947 . 1 1 253 253 ILE N N 15 122.600 0.050 . 1 . . . . 253 . N . 6542 1 948 . 1 1 254 254 GLU H H 1 8.600 0.010 . 1 . . . . 254 . H . 6542 1 949 . 1 1 254 254 GLU CA C 13 56.580 0.200 . 1 . . . . 254 . CA . 6542 1 950 . 1 1 254 254 GLU CB C 13 28.640 0.200 . 1 . . . . 254 . CB . 6542 1 951 . 1 1 254 254 GLU N N 15 121.600 0.050 . 1 . . . . 254 . N . 6542 1 952 . 1 1 255 255 SER H H 1 7.200 0.010 . 1 . . . . 255 . H . 6542 1 953 . 1 1 255 255 SER CA C 13 60.620 0.200 . 1 . . . . 255 . CA . 6542 1 954 . 1 1 255 255 SER CB C 13 62.750 0.200 . 1 . . . . 255 . CB . 6542 1 955 . 1 1 255 255 SER N N 15 110.300 0.050 . 1 . . . . 255 . N . 6542 1 956 . 1 1 256 256 LYS H H 1 7.230 0.010 . 1 . . . . 256 . H . 6542 1 957 . 1 1 256 256 LYS CA C 13 56.000 0.200 . 1 . . . . 256 . CA . 6542 1 958 . 1 1 256 256 LYS CB C 13 34.320 0.200 . 1 . . . . 256 . CB . 6542 1 959 . 1 1 256 256 LYS N N 15 119.400 0.050 . 1 . . . . 256 . N . 6542 1 960 . 1 1 257 257 LEU H H 1 8.050 0.010 . 1 . . . . 257 . H . 6542 1 961 . 1 1 257 257 LEU CA C 13 50.660 0.200 . 1 . . . . 257 . CA . 6542 1 962 . 1 1 257 257 LEU CB C 13 42.680 0.200 . 1 . . . . 257 . CB . 6542 1 963 . 1 1 257 257 LEU N N 15 122.600 0.050 . 1 . . . . 257 . N . 6542 1 964 . 1 1 258 258 PRO CA C 13 62.280 0.200 . 1 . . . . 258 . CA . 6542 1 965 . 1 1 258 258 PRO CB C 13 31.630 0.200 . 1 . . . . 258 . CB . 6542 1 966 . 1 1 259 259 PHE H H 1 8.880 0.010 . 1 . . . . 259 . H . 6542 1 967 . 1 1 259 259 PHE CA C 13 53.300 0.200 . 1 . . . . 259 . CA . 6542 1 968 . 1 1 259 259 PHE CB C 13 40.840 0.200 . 1 . . . . 259 . CB . 6542 1 969 . 1 1 259 259 PHE N N 15 121.500 0.050 . 1 . . . . 259 . N . 6542 1 970 . 1 1 260 260 SER H H 1 9.000 0.010 . 1 . . . . 260 . H . 6542 1 971 . 1 1 260 260 SER CA C 13 59.050 0.200 . 1 . . . . 260 . CA . 6542 1 972 . 1 1 260 260 SER CB C 13 63.360 0.200 . 1 . . . . 260 . CB . 6542 1 973 . 1 1 260 260 SER N N 15 118.400 0.050 . 1 . . . . 260 . N . 6542 1 974 . 1 1 261 261 HIS H H 1 9.040 0.010 . 1 . . . . 261 . H . 6542 1 975 . 1 1 261 261 HIS CA C 13 55.660 0.200 . 1 . . . . 261 . CA . 6542 1 976 . 1 1 261 261 HIS CB C 13 31.470 0.200 . 1 . . . . 261 . CB . 6542 1 977 . 1 1 261 261 HIS N N 15 130.000 0.050 . 1 . . . . 261 . N . 6542 1 978 . 1 1 262 262 ASP H H 1 8.410 0.010 . 1 . . . . 262 . H . 6542 1 979 . 1 1 262 262 ASP CA C 13 52.480 0.200 . 1 . . . . 262 . CA . 6542 1 980 . 1 1 262 262 ASP CB C 13 47.530 0.200 . 1 . . . . 262 . CB . 6542 1 981 . 1 1 262 262 ASP N N 15 128.200 0.050 . 1 . . . . 262 . N . 6542 1 982 . 1 1 263 263 ASP H H 1 8.720 0.010 . 1 . . . . 263 . H . 6542 1 983 . 1 1 263 263 ASP CA C 13 56.480 0.200 . 1 . . . . 263 . CA . 6542 1 984 . 1 1 263 263 ASP CB C 13 40.270 0.200 . 1 . . . . 263 . CB . 6542 1 985 . 1 1 263 263 ASP N N 15 125.500 0.050 . 1 . . . . 263 . N . 6542 1 986 . 1 1 264 264 ARG H H 1 8.190 0.010 . 1 . . . . 264 . H . 6542 1 987 . 1 1 264 264 ARG CA C 13 57.880 0.200 . 1 . . . . 264 . CA . 6542 1 988 . 1 1 264 264 ARG CB C 13 29.360 0.200 . 1 . . . . 264 . CB . 6542 1 989 . 1 1 264 264 ARG N N 15 117.200 0.050 . 1 . . . . 264 . N . 6542 1 990 . 1 1 265 265 PHE H H 1 8.430 0.010 . 1 . . . . 265 . H . 6542 1 991 . 1 1 265 265 PHE CA C 13 56.520 0.200 . 1 . . . . 265 . CA . 6542 1 992 . 1 1 265 265 PHE CB C 13 40.130 0.200 . 1 . . . . 265 . CB . 6542 1 993 . 1 1 265 265 PHE N N 15 114.800 0.050 . 1 . . . . 265 . N . 6542 1 994 . 1 1 266 266 GLY H H 1 7.620 0.010 . 1 . . . . 266 . H . 6542 1 995 . 1 1 266 266 GLY CA C 13 45.120 0.200 . 1 . . . . 266 . CA . 6542 1 996 . 1 1 266 266 GLY N N 15 106.600 0.050 . 1 . . . . 266 . N . 6542 1 997 . 1 1 267 267 PHE H H 1 8.400 0.010 . 1 . . . . 267 . H . 6542 1 998 . 1 1 267 267 PHE CA C 13 61.070 0.200 . 1 . . . . 267 . CA . 6542 1 999 . 1 1 267 267 PHE CB C 13 37.030 0.200 . 1 . . . . 267 . CB . 6542 1 1000 . 1 1 267 267 PHE N N 15 125.000 0.050 . 1 . . . . 267 . N . 6542 1 1001 . 1 1 268 268 LEU H H 1 6.390 0.010 . 1 . . . . 268 . H . 6542 1 1002 . 1 1 268 268 LEU CA C 13 54.690 0.200 . 1 . . . . 268 . CA . 6542 1 1003 . 1 1 268 268 LEU CB C 13 42.210 0.200 . 1 . . . . 268 . CB . 6542 1 1004 . 1 1 268 268 LEU N N 15 118.100 0.050 . 1 . . . . 268 . N . 6542 1 1005 . 1 1 269 269 THR H H 1 6.370 0.010 . 1 . . . . 269 . H . 6542 1 1006 . 1 1 269 269 THR CA C 13 58.830 0.200 . 1 . . . . 269 . CA . 6542 1 1007 . 1 1 269 269 THR CB C 13 71.530 0.200 . 1 . . . . 269 . CB . 6542 1 1008 . 1 1 269 269 THR N N 15 111.000 0.050 . 1 . . . . 269 . N . 6542 1 1009 . 1 1 270 270 PHE H H 1 9.850 0.010 . 1 . . . . 270 . H . 6542 1 1010 . 1 1 270 270 PHE CA C 13 52.800 0.200 . 1 . . . . 270 . CA . 6542 1 1011 . 1 1 270 270 PHE CB C 13 39.070 0.200 . 1 . . . . 270 . CB . 6542 1 1012 . 1 1 270 270 PHE N N 15 125.500 0.050 . 1 . . . . 270 . N . 6542 1 1013 . 1 1 271 271 CYS H H 1 9.050 0.010 . 1 . . . . 271 . H . 6542 1 1014 . 1 1 271 271 CYS CA C 13 55.590 0.200 . 1 . . . . 271 . CA . 6542 1 1015 . 1 1 271 271 CYS CB C 13 28.930 0.200 . 1 . . . . 271 . CB . 6542 1 1016 . 1 1 271 271 CYS N N 15 119.700 0.050 . 1 . . . . 271 . N . 6542 1 1017 . 1 1 273 273 THR CA C 13 63.270 0.200 . 1 . . . . 273 . CA . 6542 1 1018 . 1 1 273 273 THR CB C 13 68.430 0.200 . 1 . . . . 273 . CB . 6542 1 1019 . 1 1 274 274 ASN H H 1 7.600 0.010 . 1 . . . . 274 . H . 6542 1 1020 . 1 1 274 274 ASN CA C 13 52.760 0.200 . 1 . . . . 274 . CA . 6542 1 1021 . 1 1 274 274 ASN CB C 13 39.330 0.200 . 1 . . . . 274 . CB . 6542 1 1022 . 1 1 274 274 ASN N N 15 121.500 0.050 . 1 . . . . 274 . N . 6542 1 1023 . 1 1 275 275 LEU CA C 13 54.120 0.200 . 1 . . . . 275 . CA . 6542 1 1024 . 1 1 275 275 LEU CB C 13 43.840 0.200 . 1 . . . . 275 . CB . 6542 1 1025 . 1 1 276 276 GLY H H 1 7.230 0.010 . 1 . . . . 276 . H . 6542 1 1026 . 1 1 276 276 GLY CA C 13 45.280 0.200 . 1 . . . . 276 . CA . 6542 1 1027 . 1 1 276 276 GLY N N 15 105.200 0.050 . 1 . . . . 276 . N . 6542 1 1028 . 1 1 277 277 THR H H 1 9.340 0.010 . 1 . . . . 277 . H . 6542 1 1029 . 1 1 277 277 THR CA C 13 62.650 0.200 . 1 . . . . 277 . CA . 6542 1 1030 . 1 1 277 277 THR CB C 13 69.970 0.200 . 1 . . . . 277 . CB . 6542 1 1031 . 1 1 277 277 THR N N 15 117.200 0.050 . 1 . . . . 277 . N . 6542 1 1032 . 1 1 278 278 THR CA C 13 64.640 0.200 . 1 . . . . 278 . CA . 6542 1 1033 . 1 1 278 278 THR CB C 13 70.400 0.200 . 1 . . . . 278 . CB . 6542 1 1034 . 1 1 279 279 MET H H 1 8.570 0.010 . 1 . . . . 279 . H . 6542 1 1035 . 1 1 279 279 MET CA C 13 56.050 0.200 . 1 . . . . 279 . CA . 6542 1 1036 . 1 1 279 279 MET CB C 13 34.840 0.200 . 1 . . . . 279 . CB . 6542 1 1037 . 1 1 279 279 MET N N 15 123.300 0.050 . 1 . . . . 279 . N . 6542 1 1038 . 1 1 280 280 ARG H H 1 8.830 0.010 . 1 . . . . 280 . H . 6542 1 1039 . 1 1 280 280 ARG CA C 13 55.040 0.200 . 1 . . . . 280 . CA . 6542 1 1040 . 1 1 280 280 ARG CB C 13 31.990 0.200 . 1 . . . . 280 . CB . 6542 1 1041 . 1 1 280 280 ARG N N 15 128.200 0.050 . 1 . . . . 280 . N . 6542 1 1042 . 1 1 281 281 ALA H H 1 9.950 0.010 . 1 . . . . 281 . H . 6542 1 1043 . 1 1 281 281 ALA CA C 13 49.900 0.200 . 1 . . . . 281 . CA . 6542 1 1044 . 1 1 281 281 ALA CB C 13 19.800 0.200 . 1 . . . . 281 . CB . 6542 1 1045 . 1 1 281 281 ALA N N 15 136.100 0.050 . 1 . . . . 281 . N . 6542 1 1046 . 1 1 282 282 SER H H 1 9.470 0.010 . 1 . . . . 282 . H . 6542 1 1047 . 1 1 282 282 SER CA C 13 56.650 0.200 . 1 . . . . 282 . CA . 6542 1 1048 . 1 1 282 282 SER CB C 13 65.780 0.200 . 1 . . . . 282 . CB . 6542 1 1049 . 1 1 282 282 SER N N 15 115.300 0.050 . 1 . . . . 282 . N . 6542 1 1050 . 1 1 283 283 VAL H H 1 8.830 0.010 . 1 . . . . 283 . H . 6542 1 1051 . 1 1 283 283 VAL CA C 13 58.750 0.200 . 1 . . . . 283 . CA . 6542 1 1052 . 1 1 283 283 VAL CB C 13 34.730 0.200 . 1 . . . . 283 . CB . 6542 1 1053 . 1 1 283 283 VAL N N 15 117.300 0.050 . 1 . . . . 283 . N . 6542 1 1054 . 1 1 284 284 HIS H H 1 8.400 0.010 . 1 . . . . 284 . H . 6542 1 1055 . 1 1 284 284 HIS CA C 13 53.580 0.200 . 1 . . . . 284 . CA . 6542 1 1056 . 1 1 284 284 HIS CB C 13 30.410 0.200 . 1 . . . . 284 . CB . 6542 1 1057 . 1 1 284 284 HIS N N 15 124.200 0.050 . 1 . . . . 284 . N . 6542 1 1058 . 1 1 285 285 ILE H H 1 9.770 0.010 . 1 . . . . 285 . H . 6542 1 1059 . 1 1 285 285 ILE CA C 13 58.820 0.200 . 1 . . . . 285 . CA . 6542 1 1060 . 1 1 285 285 ILE CB C 13 43.190 0.200 . 1 . . . . 285 . CB . 6542 1 1061 . 1 1 285 285 ILE N N 15 126.900 0.050 . 1 . . . . 285 . N . 6542 1 1062 . 1 1 286 286 GLN H H 1 8.850 0.010 . 1 . . . . 286 . H . 6542 1 1063 . 1 1 286 286 GLN CA C 13 54.170 0.200 . 1 . . . . 286 . CA . 6542 1 1064 . 1 1 286 286 GLN CB C 13 30.090 0.200 . 1 . . . . 286 . CB . 6542 1 1065 . 1 1 286 286 GLN N N 15 128.000 0.050 . 1 . . . . 286 . N . 6542 1 1066 . 1 1 287 287 LEU H H 1 8.420 0.010 . 1 . . . . 287 . H . 6542 1 1067 . 1 1 287 287 LEU CA C 13 51.000 0.200 . 1 . . . . 287 . CA . 6542 1 1068 . 1 1 287 287 LEU CB C 13 42.240 0.200 . 1 . . . . 287 . CB . 6542 1 1069 . 1 1 287 287 LEU N N 15 125.000 0.050 . 1 . . . . 287 . N . 6542 1 1070 . 1 1 288 288 PRO CA C 13 65.210 0.200 . 1 . . . . 288 . CA . 6542 1 1071 . 1 1 288 288 PRO CB C 13 31.360 0.200 . 1 . . . . 288 . CB . 6542 1 1072 . 1 1 289 289 LYS H H 1 11.670 0.010 . 1 . . . . 289 . H . 6542 1 1073 . 1 1 289 289 LYS CA C 13 59.190 0.200 . 1 . . . . 289 . CA . 6542 1 1074 . 1 1 289 289 LYS CB C 13 30.650 0.200 . 1 . . . . 289 . CB . 6542 1 1075 . 1 1 289 289 LYS N N 15 123.900 0.050 . 1 . . . . 289 . N . 6542 1 1076 . 1 1 290 290 LEU H H 1 10.670 0.010 . 1 . . . . 290 . H . 6542 1 1077 . 1 1 290 290 LEU CA C 13 57.160 0.200 . 1 . . . . 290 . CA . 6542 1 1078 . 1 1 290 290 LEU CB C 13 40.340 0.200 . 1 . . . . 290 . CB . 6542 1 1079 . 1 1 290 290 LEU N N 15 127.100 0.050 . 1 . . . . 290 . N . 6542 1 1080 . 1 1 291 291 ALA H H 1 8.200 0.010 . 1 . . . . 291 . H . 6542 1 1081 . 1 1 291 291 ALA CA C 13 53.570 0.200 . 1 . . . . 291 . CA . 6542 1 1082 . 1 1 291 291 ALA CB C 13 18.870 0.200 . 1 . . . . 291 . CB . 6542 1 1083 . 1 1 291 291 ALA N N 15 118.300 0.050 . 1 . . . . 291 . N . 6542 1 1084 . 1 1 292 292 LYS H H 1 7.210 0.010 . 1 . . . . 292 . H . 6542 1 1085 . 1 1 292 292 LYS CA C 13 56.830 0.200 . 1 . . . . 292 . CA . 6542 1 1086 . 1 1 292 292 LYS CB C 13 31.390 0.200 . 1 . . . . 292 . CB . 6542 1 1087 . 1 1 292 292 LYS N N 15 115.200 0.050 . 1 . . . . 292 . N . 6542 1 1088 . 1 1 293 293 ASP H H 1 7.830 0.010 . 1 . . . . 293 . H . 6542 1 1089 . 1 1 293 293 ASP CA C 13 52.360 0.200 . 1 . . . . 293 . CA . 6542 1 1090 . 1 1 293 293 ASP CB C 13 40.110 0.200 . 1 . . . . 293 . CB . 6542 1 1091 . 1 1 293 293 ASP N N 15 122.100 0.050 . 1 . . . . 293 . N . 6542 1 1092 . 1 1 294 294 ARG H H 1 8.070 0.010 . 1 . . . . 294 . H . 6542 1 1093 . 1 1 294 294 ARG CA C 13 58.590 0.200 . 1 . . . . 294 . CA . 6542 1 1094 . 1 1 294 294 ARG CB C 13 29.200 0.200 . 1 . . . . 294 . CB . 6542 1 1095 . 1 1 294 294 ARG N N 15 122.000 0.050 . 1 . . . . 294 . N . 6542 1 1096 . 1 1 295 295 LYS H H 1 8.300 0.010 . 1 . . . . 295 . H . 6542 1 1097 . 1 1 295 295 LYS CA C 13 58.810 0.200 . 1 . . . . 295 . CA . 6542 1 1098 . 1 1 295 295 LYS CB C 13 31.150 0.200 . 1 . . . . 295 . CB . 6542 1 1099 . 1 1 295 295 LYS N N 15 119.400 0.050 . 1 . . . . 295 . N . 6542 1 1100 . 1 1 296 296 VAL H H 1 7.500 0.010 . 1 . . . . 296 . H . 6542 1 1101 . 1 1 296 296 VAL CA C 13 65.640 0.200 . 1 . . . . 296 . CA . 6542 1 1102 . 1 1 296 296 VAL CB C 13 31.020 0.200 . 1 . . . . 296 . CB . 6542 1 1103 . 1 1 296 296 VAL N N 15 120.000 0.050 . 1 . . . . 296 . N . 6542 1 1104 . 1 1 297 297 LEU H H 1 7.060 0.010 . 1 . . . . 297 . H . 6542 1 1105 . 1 1 297 297 LEU CA C 13 57.990 0.200 . 1 . . . . 297 . CA . 6542 1 1106 . 1 1 297 297 LEU CB C 13 41.190 0.200 . 1 . . . . 297 . CB . 6542 1 1107 . 1 1 297 297 LEU N N 15 120.000 0.050 . 1 . . . . 297 . N . 6542 1 1108 . 1 1 298 298 GLU H H 1 8.320 0.010 . 1 . . . . 298 . H . 6542 1 1109 . 1 1 298 298 GLU CA C 13 58.720 0.200 . 1 . . . . 298 . CA . 6542 1 1110 . 1 1 298 298 GLU CB C 13 28.310 0.200 . 1 . . . . 298 . CB . 6542 1 1111 . 1 1 298 298 GLU N N 15 117.200 0.050 . 1 . . . . 298 . N . 6542 1 1112 . 1 1 299 299 ASP H H 1 8.380 0.010 . 1 . . . . 299 . H . 6542 1 1113 . 1 1 299 299 ASP CA C 13 57.170 0.200 . 1 . . . . 299 . CA . 6542 1 1114 . 1 1 299 299 ASP CB C 13 39.860 0.200 . 1 . . . . 299 . CB . 6542 1 1115 . 1 1 299 299 ASP N N 15 122.200 0.050 . 1 . . . . 299 . N . 6542 1 1116 . 1 1 300 300 ILE H H 1 8.060 0.010 . 1 . . . . 300 . H . 6542 1 1117 . 1 1 300 300 ILE CA C 13 64.820 0.200 . 1 . . . . 300 . CA . 6542 1 1118 . 1 1 300 300 ILE CB C 13 37.380 0.200 . 1 . . . . 300 . CB . 6542 1 1119 . 1 1 300 300 ILE N N 15 121.600 0.050 . 1 . . . . 300 . N . 6542 1 1120 . 1 1 301 301 ALA H H 1 8.220 0.010 . 1 . . . . 301 . H . 6542 1 1121 . 1 1 301 301 ALA CA C 13 55.480 0.200 . 1 . . . . 301 . CA . 6542 1 1122 . 1 1 301 301 ALA CB C 13 17.050 0.200 . 1 . . . . 301 . CB . 6542 1 1123 . 1 1 301 301 ALA N N 15 120.500 0.050 . 1 . . . . 301 . N . 6542 1 1124 . 1 1 302 302 SER H H 1 8.410 0.010 . 1 . . . . 302 . H . 6542 1 1125 . 1 1 302 302 SER CA C 13 61.930 0.200 . 1 . . . . 302 . CA . 6542 1 1126 . 1 1 302 302 SER N N 15 113.000 0.050 . 1 . . . . 302 . N . 6542 1 1127 . 1 1 303 303 LYS H H 1 7.640 0.010 . 1 . . . . 303 . H . 6542 1 1128 . 1 1 303 303 LYS CA C 13 58.490 0.200 . 1 . . . . 303 . CA . 6542 1 1129 . 1 1 303 303 LYS CB C 13 31.170 0.200 . 1 . . . . 303 . CB . 6542 1 1130 . 1 1 303 303 LYS N N 15 123.300 0.050 . 1 . . . . 303 . N . 6542 1 1131 . 1 1 304 304 PHE H H 1 7.310 0.010 . 1 . . . . 304 . H . 6542 1 1132 . 1 1 304 304 PHE CA C 13 57.530 0.200 . 1 . . . . 304 . CA . 6542 1 1133 . 1 1 304 304 PHE CB C 13 38.800 0.200 . 1 . . . . 304 . CB . 6542 1 1134 . 1 1 304 304 PHE N N 15 115.700 0.050 . 1 . . . . 304 . N . 6542 1 1135 . 1 1 305 305 ASN H H 1 7.550 0.010 . 1 . . . . 305 . H . 6542 1 1136 . 1 1 305 305 ASN CA C 13 54.620 0.200 . 1 . . . . 305 . CA . 6542 1 1137 . 1 1 305 305 ASN CB C 13 37.220 0.200 . 1 . . . . 305 . CB . 6542 1 1138 . 1 1 305 305 ASN N N 15 110.900 0.050 . 1 . . . . 305 . N . 6542 1 1139 . 1 1 306 306 LEU H H 1 8.740 0.010 . 1 . . . . 306 . H . 6542 1 1140 . 1 1 306 306 LEU CA C 13 52.730 0.200 . 1 . . . . 306 . CA . 6542 1 1141 . 1 1 306 306 LEU CB C 13 42.050 0.200 . 1 . . . . 306 . CB . 6542 1 1142 . 1 1 306 306 LEU N N 15 117.500 0.050 . 1 . . . . 306 . N . 6542 1 1143 . 1 1 307 307 GLN H H 1 9.330 0.010 . 1 . . . . 307 . H . 6542 1 1144 . 1 1 307 307 GLN CA C 13 53.680 0.200 . 1 . . . . 307 . CA . 6542 1 1145 . 1 1 307 307 GLN CB C 13 30.700 0.200 . 1 . . . . 307 . CB . 6542 1 1146 . 1 1 307 307 GLN N N 15 120.900 0.050 . 1 . . . . 307 . N . 6542 1 1147 . 1 1 308 308 VAL H H 1 8.880 0.010 . 1 . . . . 308 . H . 6542 1 1148 . 1 1 308 308 VAL CA C 13 61.010 0.200 . 1 . . . . 308 . CA . 6542 1 1149 . 1 1 308 308 VAL CB C 13 32.200 0.200 . 1 . . . . 308 . CB . 6542 1 1150 . 1 1 308 308 VAL N N 15 126.000 0.050 . 1 . . . . 308 . N . 6542 1 1151 . 1 1 309 309 ARG H H 1 8.870 0.010 . 1 . . . . 309 . H . 6542 1 1152 . 1 1 309 309 ARG CA C 13 54.280 0.200 . 1 . . . . 309 . CA . 6542 1 1153 . 1 1 309 309 ARG CB C 13 32.780 0.200 . 1 . . . . 309 . CB . 6542 1 1154 . 1 1 309 309 ARG N N 15 127.800 0.050 . 1 . . . . 309 . N . 6542 1 1155 . 1 1 310 310 GLY H H 1 8.850 0.010 . 1 . . . . 310 . H . 6542 1 1156 . 1 1 310 310 GLY CA C 13 44.910 0.200 . 1 . . . . 310 . CA . 6542 1 1157 . 1 1 310 310 GLY N N 15 112.100 0.050 . 1 . . . . 310 . N . 6542 1 1158 . 1 1 311 311 THR H H 1 8.090 0.010 . 1 . . . . 311 . H . 6542 1 1159 . 1 1 311 311 THR CA C 13 61.720 0.200 . 1 . . . . 311 . CA . 6542 1 1160 . 1 1 311 311 THR CB C 13 69.180 0.200 . 1 . . . . 311 . CB . 6542 1 1161 . 1 1 311 311 THR N N 15 113.800 0.050 . 1 . . . . 311 . N . 6542 1 1162 . 1 1 312 312 ARG H H 1 8.330 0.010 . 1 . . . . 312 . H . 6542 1 1163 . 1 1 312 312 ARG CA C 13 55.320 0.200 . 1 . . . . 312 . CA . 6542 1 1164 . 1 1 312 312 ARG CB C 13 29.700 0.200 . 1 . . . . 312 . CB . 6542 1 1165 . 1 1 312 312 ARG N N 15 122.400 0.050 . 1 . . . . 312 . N . 6542 1 1166 . 1 1 313 313 GLY H H 1 8.070 0.010 . 1 . . . . 313 . H . 6542 1 1167 . 1 1 313 313 GLY CA C 13 45.850 0.200 . 1 . . . . 313 . CA . 6542 1 1168 . 1 1 313 313 GLY N N 15 109.900 0.050 . 1 . . . . 313 . N . 6542 1 1169 . 1 1 314 314 GLU H H 1 8.640 0.010 . 1 . . . . 314 . H . 6542 1 1170 . 1 1 314 314 GLU CA C 13 56.760 0.200 . 1 . . . . 314 . CA . 6542 1 1171 . 1 1 314 314 GLU CB C 13 29.120 0.200 . 1 . . . . 314 . CB . 6542 1 1172 . 1 1 314 314 GLU N N 15 121.400 0.050 . 1 . . . . 314 . N . 6542 1 1173 . 1 1 315 315 HIS H H 1 8.440 0.010 . 1 . . . . 315 . H . 6542 1 1174 . 1 1 315 315 HIS CA C 13 55.520 0.200 . 1 . . . . 315 . CA . 6542 1 1175 . 1 1 315 315 HIS CB C 13 29.020 0.200 . 1 . . . . 315 . CB . 6542 1 1176 . 1 1 315 315 HIS N N 15 118.300 0.050 . 1 . . . . 315 . N . 6542 1 1177 . 1 1 316 316 THR H H 1 7.800 0.010 . 1 . . . . 316 . H . 6542 1 1178 . 1 1 316 316 THR CA C 13 62.100 0.200 . 1 . . . . 316 . CA . 6542 1 1179 . 1 1 316 316 THR CB C 13 69.310 0.200 . 1 . . . . 316 . CB . 6542 1 1180 . 1 1 316 316 THR N N 15 114.100 0.050 . 1 . . . . 316 . N . 6542 1 1181 . 1 1 317 317 GLU H H 1 8.610 0.010 . 1 . . . . 317 . H . 6542 1 1182 . 1 1 317 317 GLU CA C 13 57.120 0.200 . 1 . . . . 317 . CA . 6542 1 1183 . 1 1 317 317 GLU CB C 13 28.880 0.200 . 1 . . . . 317 . CB . 6542 1 1184 . 1 1 317 317 GLU N N 15 122.700 0.050 . 1 . . . . 317 . N . 6542 1 1185 . 1 1 318 318 SER H H 1 8.110 0.010 . 1 . . . . 318 . H . 6542 1 1186 . 1 1 318 318 SER CA C 13 58.040 0.200 . 1 . . . . 318 . CA . 6542 1 1187 . 1 1 318 318 SER CB C 13 63.500 0.200 . 1 . . . . 318 . CB . 6542 1 1188 . 1 1 318 318 SER N N 15 115.800 0.050 . 1 . . . . 318 . N . 6542 1 1189 . 1 1 319 319 GLU H H 1 8.250 0.010 . 1 . . . . 319 . H . 6542 1 1190 . 1 1 319 319 GLU CA C 13 56.320 0.200 . 1 . . . . 319 . CA . 6542 1 1191 . 1 1 319 319 GLU CB C 13 29.170 0.200 . 1 . . . . 319 . CB . 6542 1 1192 . 1 1 319 319 GLU N N 15 123.600 0.050 . 1 . . . . 319 . N . 6542 1 1193 . 1 1 320 320 GLY H H 1 8.290 0.010 . 1 . . . . 320 . H . 6542 1 1194 . 1 1 320 320 GLY CA C 13 45.030 0.200 . 1 . . . . 320 . CA . 6542 1 1195 . 1 1 320 320 GLY N N 15 110.300 0.050 . 1 . . . . 320 . N . 6542 1 1196 . 1 1 321 321 GLY H H 1 8.050 0.010 . 1 . . . . 321 . H . 6542 1 1197 . 1 1 321 321 GLY CA C 13 46.050 0.200 . 1 . . . . 321 . CA . 6542 1 1198 . 1 1 321 321 GLY N N 15 108.000 0.050 . 1 . . . . 321 . N . 6542 1 1199 . 1 1 322 322 VAL H H 1 7.160 0.010 . 1 . . . . 322 . H . 6542 1 1200 . 1 1 322 322 VAL CA C 13 61.220 0.200 . 1 . . . . 322 . CA . 6542 1 1201 . 1 1 322 322 VAL CB C 13 31.100 0.200 . 1 . . . . 322 . CB . 6542 1 1202 . 1 1 322 322 VAL N N 15 119.100 0.050 . 1 . . . . 322 . N . 6542 1 1203 . 1 1 323 323 TYR H H 1 9.080 0.010 . 1 . . . . 323 . H . 6542 1 1204 . 1 1 323 323 TYR CA C 13 57.120 0.200 . 1 . . . . 323 . CA . 6542 1 1205 . 1 1 323 323 TYR CB C 13 42.070 0.200 . 1 . . . . 323 . CB . 6542 1 1206 . 1 1 323 323 TYR N N 15 126.100 0.050 . 1 . . . . 323 . N . 6542 1 1207 . 1 1 324 324 ASP H H 1 9.000 0.010 . 1 . . . . 324 . H . 6542 1 1208 . 1 1 324 324 ASP CA C 13 52.990 0.200 . 1 . . . . 324 . CA . 6542 1 1209 . 1 1 324 324 ASP CB C 13 42.770 0.200 . 1 . . . . 324 . CB . 6542 1 1210 . 1 1 324 324 ASP N N 15 122.100 0.050 . 1 . . . . 324 . N . 6542 1 1211 . 1 1 325 325 ILE H H 1 9.070 0.010 . 1 . . . . 325 . H . 6542 1 1212 . 1 1 325 325 ILE CA C 13 59.270 0.200 . 1 . . . . 325 . CA . 6542 1 1213 . 1 1 325 325 ILE CB C 13 37.720 0.200 . 1 . . . . 325 . CB . 6542 1 1214 . 1 1 325 325 ILE N N 15 128.000 0.050 . 1 . . . . 325 . N . 6542 1 1215 . 1 1 326 326 SER H H 1 8.590 0.010 . 1 . . . . 326 . H . 6542 1 1216 . 1 1 326 326 SER CA C 13 56.170 0.200 . 1 . . . . 326 . CA . 6542 1 1217 . 1 1 326 326 SER CB C 13 67.630 0.200 . 1 . . . . 326 . CB . 6542 1 1218 . 1 1 326 326 SER N N 15 118.600 0.050 . 1 . . . . 326 . N . 6542 1 1219 . 1 1 327 327 ASN H H 1 8.700 0.010 . 1 . . . . 327 . H . 6542 1 1220 . 1 1 327 327 ASN CA C 13 54.520 0.200 . 1 . . . . 327 . CA . 6542 1 1221 . 1 1 327 327 ASN CB C 13 37.470 0.200 . 1 . . . . 327 . CB . 6542 1 1222 . 1 1 327 327 ASN N N 15 116.900 0.050 . 1 . . . . 327 . N . 6542 1 1223 . 1 1 328 328 LYS H H 1 8.530 0.010 . 1 . . . . 328 . H . 6542 1 1224 . 1 1 328 328 LYS CA C 13 57.810 0.200 . 1 . . . . 328 . CA . 6542 1 1225 . 1 1 328 328 LYS CB C 13 34.060 0.200 . 1 . . . . 328 . CB . 6542 1 1226 . 1 1 328 328 LYS N N 15 122.100 0.050 . 1 . . . . 328 . N . 6542 1 1227 . 1 1 329 329 ARG H H 1 8.850 0.010 . 1 . . . . 329 . H . 6542 1 1228 . 1 1 329 329 ARG CA C 13 57.410 0.200 . 1 . . . . 329 . CA . 6542 1 1229 . 1 1 329 329 ARG CB C 13 32.030 0.200 . 1 . . . . 329 . CB . 6542 1 1230 . 1 1 329 329 ARG N N 15 118.100 0.050 . 1 . . . . 329 . N . 6542 1 1231 . 1 1 330 330 ARG H H 1 9.450 0.010 . 1 . . . . 330 . H . 6542 1 1232 . 1 1 330 330 ARG CA C 13 56.460 0.200 . 1 . . . . 330 . CA . 6542 1 1233 . 1 1 330 330 ARG CB C 13 32.990 0.200 . 1 . . . . 330 . CB . 6542 1 1234 . 1 1 330 330 ARG N N 15 120.700 0.050 . 1 . . . . 330 . N . 6542 1 1235 . 1 1 331 331 LEU H H 1 8.290 0.010 . 1 . . . . 331 . H . 6542 1 1236 . 1 1 331 331 LEU CA C 13 53.300 0.200 . 1 . . . . 331 . CA . 6542 1 1237 . 1 1 331 331 LEU CB C 13 44.320 0.200 . 1 . . . . 331 . CB . 6542 1 1238 . 1 1 331 331 LEU N N 15 123.300 0.050 . 1 . . . . 331 . N . 6542 1 1239 . 1 1 332 332 GLY H H 1 12.090 0.010 . 1 . . . . 332 . H . 6542 1 1240 . 1 1 332 332 GLY CA C 13 44.550 0.200 . 1 . . . . 332 . CA . 6542 1 1241 . 1 1 332 332 GLY N N 15 116.000 0.050 . 1 . . . . 332 . N . 6542 1 1242 . 1 1 333 333 LEU H H 1 7.440 0.010 . 1 . . . . 333 . H . 6542 1 1243 . 1 1 333 333 LEU CA C 13 53.790 0.200 . 1 . . . . 333 . CA . 6542 1 1244 . 1 1 333 333 LEU CB C 13 42.020 0.200 . 1 . . . . 333 . CB . 6542 1 1245 . 1 1 333 333 LEU N N 15 122.700 0.050 . 1 . . . . 333 . N . 6542 1 1246 . 1 1 334 334 THR H H 1 8.130 0.010 . 1 . . . . 334 . H . 6542 1 1247 . 1 1 334 334 THR CA C 13 59.450 0.200 . 1 . . . . 334 . CA . 6542 1 1248 . 1 1 334 334 THR CB C 13 72.360 0.200 . 1 . . . . 334 . CB . 6542 1 1249 . 1 1 334 334 THR N N 15 107.600 0.050 . 1 . . . . 334 . N . 6542 1 1250 . 1 1 335 335 GLU H H 1 10.290 0.010 . 1 . . . . 335 . H . 6542 1 1251 . 1 1 335 335 GLU CA C 13 62.550 0.200 . 1 . . . . 335 . CA . 6542 1 1252 . 1 1 335 335 GLU CB C 13 27.130 0.200 . 1 . . . . 335 . CB . 6542 1 1253 . 1 1 335 335 GLU N N 15 123.400 0.050 . 1 . . . . 335 . N . 6542 1 1254 . 1 1 336 336 TYR H H 1 7.900 0.010 . 1 . . . . 336 . H . 6542 1 1255 . 1 1 336 336 TYR CA C 13 61.210 0.200 . 1 . . . . 336 . CA . 6542 1 1256 . 1 1 336 336 TYR CB C 13 37.160 0.200 . 1 . . . . 336 . CB . 6542 1 1257 . 1 1 336 336 TYR N N 15 115.600 0.050 . 1 . . . . 336 . N . 6542 1 1258 . 1 1 337 337 GLN H H 1 8.060 0.010 . 1 . . . . 337 . H . 6542 1 1259 . 1 1 337 337 GLN CA C 13 58.640 0.200 . 1 . . . . 337 . CA . 6542 1 1260 . 1 1 337 337 GLN CB C 13 27.950 0.200 . 1 . . . . 337 . CB . 6542 1 1261 . 1 1 337 337 GLN N N 15 117.100 0.050 . 1 . . . . 337 . N . 6542 1 1262 . 1 1 338 338 ALA H H 1 8.460 0.010 . 1 . . . . 338 . H . 6542 1 1263 . 1 1 338 338 ALA CA C 13 54.820 0.200 . 1 . . . . 338 . CA . 6542 1 1264 . 1 1 338 338 ALA CB C 13 17.850 0.200 . 1 . . . . 338 . CB . 6542 1 1265 . 1 1 338 338 ALA N N 15 122.600 0.050 . 1 . . . . 338 . N . 6542 1 1266 . 1 1 339 339 VAL H H 1 8.170 0.010 . 1 . . . . 339 . H . 6542 1 1267 . 1 1 339 339 VAL CA C 13 65.110 0.200 . 1 . . . . 339 . CA . 6542 1 1268 . 1 1 339 339 VAL CB C 13 30.430 0.200 . 1 . . . . 339 . CB . 6542 1 1269 . 1 1 339 339 VAL N N 15 116.300 0.050 . 1 . . . . 339 . N . 6542 1 1270 . 1 1 340 340 ARG H H 1 8.410 0.010 . 1 . . . . 340 . H . 6542 1 1271 . 1 1 340 340 ARG CA C 13 61.800 0.200 . 1 . . . . 340 . CA . 6542 1 1272 . 1 1 340 340 ARG N N 15 122.300 0.050 . 1 . . . . 340 . N . 6542 1 1273 . 1 1 344 344 ASP CA C 13 57.080 0.200 . 1 . . . . 344 . CA . 6542 1 1274 . 1 1 344 344 ASP CB C 13 39.200 0.200 . 1 . . . . 344 . CB . 6542 1 1275 . 1 1 345 345 GLY H H 1 7.800 0.010 . 1 . . . . 345 . H . 6542 1 1276 . 1 1 345 345 GLY CA C 13 46.570 0.200 . 1 . . . . 345 . CA . 6542 1 1277 . 1 1 345 345 GLY N N 15 108.600 0.050 . 1 . . . . 345 . N . 6542 1 1278 . 1 1 346 346 ILE H H 1 8.400 0.010 . 1 . . . . 346 . H . 6542 1 1279 . 1 1 346 346 ILE CA C 13 61.950 0.200 . 1 . . . . 346 . CA . 6542 1 1280 . 1 1 346 346 ILE CB C 13 33.490 0.200 . 1 . . . . 346 . CB . 6542 1 1281 . 1 1 346 346 ILE N N 15 122.300 0.050 . 1 . . . . 346 . N . 6542 1 1282 . 1 1 347 347 LEU H H 1 8.490 0.010 . 1 . . . . 347 . H . 6542 1 1283 . 1 1 347 347 LEU CA C 13 58.020 0.200 . 1 . . . . 347 . CA . 6542 1 1284 . 1 1 347 347 LEU CB C 13 40.280 0.200 . 1 . . . . 347 . CB . 6542 1 1285 . 1 1 347 347 LEU N N 15 119.000 0.050 . 1 . . . . 347 . N . 6542 1 1286 . 1 1 349 349 MET CA C 13 59.840 0.200 . 1 . . . . 349 . CA . 6542 1 1287 . 1 1 350 350 ILE H H 1 8.260 0.010 . 1 . . . . 350 . H . 6542 1 1288 . 1 1 350 350 ILE CA C 13 65.580 0.200 . 1 . . . . 350 . CA . 6542 1 1289 . 1 1 350 350 ILE CB C 13 37.100 0.200 . 1 . . . . 350 . CB . 6542 1 1290 . 1 1 350 350 ILE N N 15 118.800 0.050 . 1 . . . . 350 . N . 6542 1 1291 . 1 1 351 351 LYS H H 1 7.740 0.010 . 1 . . . . 351 . H . 6542 1 1292 . 1 1 351 351 LYS CA C 13 59.520 0.200 . 1 . . . . 351 . CA . 6542 1 1293 . 1 1 351 351 LYS CB C 13 31.410 0.200 . 1 . . . . 351 . CB . 6542 1 1294 . 1 1 351 351 LYS N N 15 120.300 0.050 . 1 . . . . 351 . N . 6542 1 1295 . 1 1 352 352 MET H H 1 7.990 0.010 . 1 . . . . 352 . H . 6542 1 1296 . 1 1 352 352 MET CA C 13 57.000 0.200 . 1 . . . . 352 . CA . 6542 1 1297 . 1 1 352 352 MET CB C 13 30.610 0.200 . 1 . . . . 352 . CB . 6542 1 1298 . 1 1 352 352 MET N N 15 118.000 0.050 . 1 . . . . 352 . N . 6542 1 1299 . 1 1 353 353 GLU H H 1 8.520 0.010 . 1 . . . . 353 . H . 6542 1 1300 . 1 1 353 353 GLU CA C 13 58.750 0.200 . 1 . . . . 353 . CA . 6542 1 1301 . 1 1 353 353 GLU CB C 13 28.370 0.200 . 1 . . . . 353 . CB . 6542 1 1302 . 1 1 353 353 GLU N N 15 125.500 0.050 . 1 . . . . 353 . N . 6542 1 1303 . 1 1 354 354 LYS H H 1 8.160 0.010 . 1 . . . . 354 . H . 6542 1 1304 . 1 1 354 354 LYS CA C 13 58.760 0.200 . 1 . . . . 354 . CA . 6542 1 1305 . 1 1 354 354 LYS CB C 13 32.050 0.200 . 1 . . . . 354 . CB . 6542 1 1306 . 1 1 354 354 LYS N N 15 117.100 0.050 . 1 . . . . 354 . N . 6542 1 1307 . 1 1 355 355 ALA H H 1 7.380 0.010 . 1 . . . . 355 . H . 6542 1 1308 . 1 1 355 355 ALA CA C 13 52.170 0.200 . 1 . . . . 355 . CA . 6542 1 1309 . 1 1 355 355 ALA CB C 13 18.690 0.200 . 1 . . . . 355 . CB . 6542 1 1310 . 1 1 355 355 ALA N N 15 119.800 0.050 . 1 . . . . 355 . N . 6542 1 1311 . 1 1 356 356 ALA H H 1 7.310 0.010 . 1 . . . . 356 . H . 6542 1 1312 . 1 1 356 356 ALA CA C 13 52.160 0.200 . 1 . . . . 356 . CA . 6542 1 1313 . 1 1 356 356 ALA CB C 13 18.200 0.200 . 1 . . . . 356 . CB . 6542 1 1314 . 1 1 356 356 ALA N N 15 123.300 0.050 . 1 . . . . 356 . N . 6542 1 1315 . 1 1 357 357 ALA H H 1 7.930 0.010 . 1 . . . . 357 . H . 6542 1 1316 . 1 1 357 357 ALA CA C 13 53.740 0.200 . 1 . . . . 357 . CA . 6542 1 1317 . 1 1 357 357 ALA CB C 13 19.150 0.200 . 1 . . . . 357 . CB . 6542 1 1318 . 1 1 357 357 ALA N N 15 129.500 0.050 . 1 . . . . 357 . N . 6542 1 stop_ save_