data_17499 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17499 _Entry.Title ; Solid-state NMR assignment of the Ure2p prion C-terminal 70-354 in microcrystalline form. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-01 _Entry.Accession_date 2011-03-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Birgit Habenstein . . . 17499 2 Christian Wasmer . . . 17499 3 Luc Bousset . . . 17499 4 Yannick Sourigues . . . 17499 5 Anne Schuetz . . . 17499 6 Antoine Loquet . . . 17499 7 Beat Meier . H. . 17499 8 Ronald Melki . . . 17499 9 Anja Bockmann . . . 17499 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17499 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 751 17499 '15N chemical shifts' 192 17499 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-08 2011-03-01 update BMRB 'update entry citation' 17499 1 . . 2011-09-29 2011-03-01 original author 'original release' 17499 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1G6W . 17499 PDB 1G6Y . 17499 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17499 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21805376 _Citation.Full_citation . _Citation.Title 'Extensive de novo solid-state NMR assignments of the 33 kDa C-terminal domain of the Ure2 prion.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 51 _Citation.Journal_issue 3 _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 235 _Citation.Page_last 243 _Citation.Year 2011 _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 Birgit Habenstein . . . 17499 1 2 Christian Wasmer . . . 17499 1 3 Luc Bousset . . . 17499 1 4 Yannick Sourigues . . . 17499 1 5 Anne Schutz . . . 17499 1 6 Antoine Loquet . . . 17499 1 7 Beat Meier . H. . 17499 1 8 Ronald Melki . . . 17499 1 9 Anja Bockmann . . . 17499 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational heterogeneity' 17499 1 fibrils 17499 1 prion 17499 1 'sequential assignment' 17499 1 'solid-state NMR' 17499 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17499 _Assembly.ID 1 _Assembly.Name Ure2p70-354 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 34053.46 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Ure2p70-354 1 $Ure2p70-354 A . yes native yes no . . . 17499 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1G6W . . X-ray . . . 17499 1 yes PDB 1G6Y . . X-ray . . . 17499 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ure2p70-354 _Entity.Sf_category entity _Entity.Sf_framecode Ure2p70-354 _Entity.Entry_ID 17499 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ure2p70-354 _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 ; MNNDNENNIKNTLEQHRQQQ QAFSDMSHVEYSRITKFFQE QPLEGYTLFSHRSAPNGFKV AIVLSELGFHYNTIFLDFNL GEHRAPEFVSVNPNARVPAL IDHGMDNLSIWESGAILLHL VNKYYKETGNPLLWSDDLAD QSQINAWLFFQTSGHAPMIG QALHFRYFHSQKIASAVERY TDEVRRVYGVVEMALAERRE ALVMELDTENAAAYSAGTTP MSQSRFFDYPVWLVGDKLTI ADLAFVPWNNVVDRIGINIK IEFPEVYKWTKHMMRRPAVI KALRGERGSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'RGSHHHHHH at the C-terminus is the non-native His-tag' _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 295 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Ure2p70-354 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 17570 . "Ure2p prion" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 2 no PDB 1G6W . "Crystal Structure Of The Globular Region Of The Prion Protein Ure2 From The Yeast Saccaromyces Cerevisiae" . . . . . 88.47 261 100.00 100.00 0.00e+00 . . . . 17499 1 3 no PDB 1G6Y . "Crystal Structure Of The Globular Region Of The Prion Protien Ure2 From Yeast Saccharomyces Cerevisiae" . . . . . 88.47 261 100.00 100.00 0.00e+00 . . . . 17499 1 4 no PDB 1HQO . "Crystal Structure Of The Nitrogen Regulation Fragment Of The Yeast Prion Protein Ure2p" . . . . . 87.46 258 97.29 97.29 0.00e+00 . . . . 17499 1 5 no PDB 1JZR . "Ure2p In Complex With Glutathione" . . . . . 88.14 260 100.00 100.00 0.00e+00 . . . . 17499 1 6 no PDB 1K0A . "Ure2p In Complex With S-Hexylglutathione" . . . . . 88.14 260 100.00 100.00 0.00e+00 . . . . 17499 1 7 no PDB 1K0B . "Ure2p In Complex With Glutathione" . . . . . 88.14 260 100.00 100.00 0.00e+00 . . . . 17499 1 8 no PDB 1K0C . "Ure2p In Complex With S-P-Nitrobenzylglutathione" . . . . . 88.14 260 100.00 100.00 0.00e+00 . . . . 17499 1 9 no PDB 1K0D . "Ure2p In Complex With Glutathione" . . . . . 88.14 260 100.00 100.00 0.00e+00 . . . . 17499 1 10 no DBJ BAM78703 . "nitrogen catabolite repression transcriptional regulator [Saccharomyces pastorianus]" . . . . . 96.61 344 97.89 99.65 0.00e+00 . . . . 17499 1 11 no DBJ GAA25878 . "K7_Ure2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 12 no EMBL CAA93369 . "N1165 [Saccharomyces cerevisiae]" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 13 no EMBL CAA96134 . "URE2 [Saccharomyces cerevisiae]" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 14 no EMBL CAY82378 . "Ure2p [Saccharomyces cerevisiae EC1118]" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 15 no GB AAA35201 . "glutathione transferase-like protein [Saccharomyces cerevisiae]" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 16 no GB AAK51641 . "Ure2p [Saccharomyces douglasii]" . . . . . 96.27 359 99.30 99.65 0.00e+00 . . . . 17499 1 17 no GB AAM91938 . "Ure2p [Saccharomyces paradoxus]" . . . . . 96.27 359 99.30 99.65 0.00e+00 . . . . 17499 1 18 no GB AAM91939 . "Ure2p [Saccharomyces bayanus]" . . . . . 96.61 345 97.89 99.65 0.00e+00 . . . . 17499 1 19 no GB AAM93167 . "Ure2p [Saccharomyces cerevisiae]" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 20 no REF NP_014170 . "Ure2p [Saccharomyces cerevisiae S288c]" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 21 no SP P23202 . "RecName: Full=Transcriptional regulator URE2; AltName: Full=Disulfide reductase; AltName: Full=Glutathione peroxidase" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 22 no SP Q7LLZ8 . "RecName: Full=Protein URE2" . . . . . 96.27 359 99.30 99.65 0.00e+00 . . . . 17499 1 23 no SP Q8NJR6 . "RecName: Full=Protein URE2" . . . . . 96.61 345 97.89 99.65 0.00e+00 . . . . 17499 1 24 no TPG DAA10329 . "TPA: Ure2p [Saccharomyces cerevisiae S288c]" . . . . . 96.61 354 100.00 100.00 0.00e+00 . . . . 17499 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'nitrogen-dependent repression of the ureidosuccinate utilization pathway' 17499 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 69 MET . 17499 1 2 70 ASN . 17499 1 3 71 ASN . 17499 1 4 72 ASP . 17499 1 5 73 ASN . 17499 1 6 74 GLU . 17499 1 7 75 ASN . 17499 1 8 76 ASN . 17499 1 9 77 ILE . 17499 1 10 78 LYS . 17499 1 11 79 ASN . 17499 1 12 80 THR . 17499 1 13 81 LEU . 17499 1 14 82 GLU . 17499 1 15 83 GLN . 17499 1 16 84 HIS . 17499 1 17 85 ARG . 17499 1 18 86 GLN . 17499 1 19 87 GLN . 17499 1 20 88 GLN . 17499 1 21 89 GLN . 17499 1 22 90 ALA . 17499 1 23 91 PHE . 17499 1 24 92 SER . 17499 1 25 93 ASP . 17499 1 26 94 MET . 17499 1 27 95 SER . 17499 1 28 96 HIS . 17499 1 29 97 VAL . 17499 1 30 98 GLU . 17499 1 31 99 TYR . 17499 1 32 100 SER . 17499 1 33 101 ARG . 17499 1 34 102 ILE . 17499 1 35 103 THR . 17499 1 36 104 LYS . 17499 1 37 105 PHE . 17499 1 38 106 PHE . 17499 1 39 107 GLN . 17499 1 40 108 GLU . 17499 1 41 109 GLN . 17499 1 42 110 PRO . 17499 1 43 111 LEU . 17499 1 44 112 GLU . 17499 1 45 113 GLY . 17499 1 46 114 TYR . 17499 1 47 115 THR . 17499 1 48 116 LEU . 17499 1 49 117 PHE . 17499 1 50 118 SER . 17499 1 51 119 HIS . 17499 1 52 120 ARG . 17499 1 53 121 SER . 17499 1 54 122 ALA . 17499 1 55 123 PRO . 17499 1 56 124 ASN . 17499 1 57 125 GLY . 17499 1 58 126 PHE . 17499 1 59 127 LYS . 17499 1 60 128 VAL . 17499 1 61 129 ALA . 17499 1 62 130 ILE . 17499 1 63 131 VAL . 17499 1 64 132 LEU . 17499 1 65 133 SER . 17499 1 66 134 GLU . 17499 1 67 135 LEU . 17499 1 68 136 GLY . 17499 1 69 137 PHE . 17499 1 70 138 HIS . 17499 1 71 139 TYR . 17499 1 72 140 ASN . 17499 1 73 141 THR . 17499 1 74 142 ILE . 17499 1 75 143 PHE . 17499 1 76 144 LEU . 17499 1 77 145 ASP . 17499 1 78 146 PHE . 17499 1 79 147 ASN . 17499 1 80 148 LEU . 17499 1 81 149 GLY . 17499 1 82 150 GLU . 17499 1 83 151 HIS . 17499 1 84 152 ARG . 17499 1 85 153 ALA . 17499 1 86 154 PRO . 17499 1 87 155 GLU . 17499 1 88 156 PHE . 17499 1 89 157 VAL . 17499 1 90 158 SER . 17499 1 91 159 VAL . 17499 1 92 160 ASN . 17499 1 93 161 PRO . 17499 1 94 162 ASN . 17499 1 95 163 ALA . 17499 1 96 164 ARG . 17499 1 97 165 VAL . 17499 1 98 166 PRO . 17499 1 99 167 ALA . 17499 1 100 168 LEU . 17499 1 101 169 ILE . 17499 1 102 170 ASP . 17499 1 103 171 HIS . 17499 1 104 172 GLY . 17499 1 105 173 MET . 17499 1 106 174 ASP . 17499 1 107 175 ASN . 17499 1 108 176 LEU . 17499 1 109 177 SER . 17499 1 110 178 ILE . 17499 1 111 179 TRP . 17499 1 112 180 GLU . 17499 1 113 181 SER . 17499 1 114 182 GLY . 17499 1 115 183 ALA . 17499 1 116 184 ILE . 17499 1 117 185 LEU . 17499 1 118 186 LEU . 17499 1 119 187 HIS . 17499 1 120 188 LEU . 17499 1 121 189 VAL . 17499 1 122 190 ASN . 17499 1 123 191 LYS . 17499 1 124 192 TYR . 17499 1 125 193 TYR . 17499 1 126 194 LYS . 17499 1 127 195 GLU . 17499 1 128 196 THR . 17499 1 129 197 GLY . 17499 1 130 198 ASN . 17499 1 131 199 PRO . 17499 1 132 200 LEU . 17499 1 133 201 LEU . 17499 1 134 202 TRP . 17499 1 135 203 SER . 17499 1 136 204 ASP . 17499 1 137 205 ASP . 17499 1 138 206 LEU . 17499 1 139 207 ALA . 17499 1 140 208 ASP . 17499 1 141 209 GLN . 17499 1 142 210 SER . 17499 1 143 211 GLN . 17499 1 144 212 ILE . 17499 1 145 213 ASN . 17499 1 146 214 ALA . 17499 1 147 215 TRP . 17499 1 148 216 LEU . 17499 1 149 217 PHE . 17499 1 150 218 PHE . 17499 1 151 219 GLN . 17499 1 152 220 THR . 17499 1 153 221 SER . 17499 1 154 222 GLY . 17499 1 155 223 HIS . 17499 1 156 224 ALA . 17499 1 157 225 PRO . 17499 1 158 226 MET . 17499 1 159 227 ILE . 17499 1 160 228 GLY . 17499 1 161 229 GLN . 17499 1 162 230 ALA . 17499 1 163 231 LEU . 17499 1 164 232 HIS . 17499 1 165 233 PHE . 17499 1 166 234 ARG . 17499 1 167 235 TYR . 17499 1 168 236 PHE . 17499 1 169 237 HIS . 17499 1 170 238 SER . 17499 1 171 239 GLN . 17499 1 172 240 LYS . 17499 1 173 241 ILE . 17499 1 174 242 ALA . 17499 1 175 243 SER . 17499 1 176 244 ALA . 17499 1 177 245 VAL . 17499 1 178 246 GLU . 17499 1 179 247 ARG . 17499 1 180 248 TYR . 17499 1 181 249 THR . 17499 1 182 250 ASP . 17499 1 183 251 GLU . 17499 1 184 252 VAL . 17499 1 185 253 ARG . 17499 1 186 254 ARG . 17499 1 187 255 VAL . 17499 1 188 256 TYR . 17499 1 189 257 GLY . 17499 1 190 258 VAL . 17499 1 191 259 VAL . 17499 1 192 260 GLU . 17499 1 193 261 MET . 17499 1 194 262 ALA . 17499 1 195 263 LEU . 17499 1 196 264 ALA . 17499 1 197 265 GLU . 17499 1 198 266 ARG . 17499 1 199 267 ARG . 17499 1 200 268 GLU . 17499 1 201 269 ALA . 17499 1 202 270 LEU . 17499 1 203 271 VAL . 17499 1 204 272 MET . 17499 1 205 273 GLU . 17499 1 206 274 LEU . 17499 1 207 275 ASP . 17499 1 208 276 THR . 17499 1 209 277 GLU . 17499 1 210 278 ASN . 17499 1 211 279 ALA . 17499 1 212 280 ALA . 17499 1 213 281 ALA . 17499 1 214 282 TYR . 17499 1 215 283 SER . 17499 1 216 284 ALA . 17499 1 217 285 GLY . 17499 1 218 286 THR . 17499 1 219 287 THR . 17499 1 220 288 PRO . 17499 1 221 289 MET . 17499 1 222 290 SER . 17499 1 223 291 GLN . 17499 1 224 292 SER . 17499 1 225 293 ARG . 17499 1 226 294 PHE . 17499 1 227 295 PHE . 17499 1 228 296 ASP . 17499 1 229 297 TYR . 17499 1 230 298 PRO . 17499 1 231 299 VAL . 17499 1 232 300 TRP . 17499 1 233 301 LEU . 17499 1 234 302 VAL . 17499 1 235 303 GLY . 17499 1 236 304 ASP . 17499 1 237 305 LYS . 17499 1 238 306 LEU . 17499 1 239 307 THR . 17499 1 240 308 ILE . 17499 1 241 309 ALA . 17499 1 242 310 ASP . 17499 1 243 311 LEU . 17499 1 244 312 ALA . 17499 1 245 313 PHE . 17499 1 246 314 VAL . 17499 1 247 315 PRO . 17499 1 248 316 TRP . 17499 1 249 317 ASN . 17499 1 250 318 ASN . 17499 1 251 319 VAL . 17499 1 252 320 VAL . 17499 1 253 321 ASP . 17499 1 254 322 ARG . 17499 1 255 323 ILE . 17499 1 256 324 GLY . 17499 1 257 325 ILE . 17499 1 258 326 ASN . 17499 1 259 327 ILE . 17499 1 260 328 LYS . 17499 1 261 329 ILE . 17499 1 262 330 GLU . 17499 1 263 331 PHE . 17499 1 264 332 PRO . 17499 1 265 333 GLU . 17499 1 266 334 VAL . 17499 1 267 335 TYR . 17499 1 268 336 LYS . 17499 1 269 337 TRP . 17499 1 270 338 THR . 17499 1 271 339 LYS . 17499 1 272 340 HIS . 17499 1 273 341 MET . 17499 1 274 342 MET . 17499 1 275 343 ARG . 17499 1 276 344 ARG . 17499 1 277 345 PRO . 17499 1 278 346 ALA . 17499 1 279 347 VAL . 17499 1 280 348 ILE . 17499 1 281 349 LYS . 17499 1 282 350 ALA . 17499 1 283 351 LEU . 17499 1 284 352 ARG . 17499 1 285 353 GLY . 17499 1 286 354 GLU . 17499 1 287 355 ARG . 17499 1 288 356 GLY . 17499 1 289 357 SER . 17499 1 290 358 HIS . 17499 1 291 359 HIS . 17499 1 292 360 HIS . 17499 1 293 361 HIS . 17499 1 294 362 HIS . 17499 1 295 363 HIS . 17499 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 17499 1 . ASN 2 2 17499 1 . ASN 3 3 17499 1 . ASP 4 4 17499 1 . ASN 5 5 17499 1 . GLU 6 6 17499 1 . ASN 7 7 17499 1 . ASN 8 8 17499 1 . ILE 9 9 17499 1 . LYS 10 10 17499 1 . ASN 11 11 17499 1 . THR 12 12 17499 1 . LEU 13 13 17499 1 . GLU 14 14 17499 1 . GLN 15 15 17499 1 . HIS 16 16 17499 1 . ARG 17 17 17499 1 . GLN 18 18 17499 1 . GLN 19 19 17499 1 . GLN 20 20 17499 1 . GLN 21 21 17499 1 . ALA 22 22 17499 1 . PHE 23 23 17499 1 . SER 24 24 17499 1 . ASP 25 25 17499 1 . MET 26 26 17499 1 . SER 27 27 17499 1 . HIS 28 28 17499 1 . VAL 29 29 17499 1 . GLU 30 30 17499 1 . TYR 31 31 17499 1 . SER 32 32 17499 1 . ARG 33 33 17499 1 . ILE 34 34 17499 1 . THR 35 35 17499 1 . LYS 36 36 17499 1 . PHE 37 37 17499 1 . PHE 38 38 17499 1 . GLN 39 39 17499 1 . GLU 40 40 17499 1 . GLN 41 41 17499 1 . PRO 42 42 17499 1 . LEU 43 43 17499 1 . GLU 44 44 17499 1 . GLY 45 45 17499 1 . TYR 46 46 17499 1 . THR 47 47 17499 1 . LEU 48 48 17499 1 . PHE 49 49 17499 1 . SER 50 50 17499 1 . HIS 51 51 17499 1 . ARG 52 52 17499 1 . SER 53 53 17499 1 . ALA 54 54 17499 1 . PRO 55 55 17499 1 . ASN 56 56 17499 1 . GLY 57 57 17499 1 . PHE 58 58 17499 1 . LYS 59 59 17499 1 . VAL 60 60 17499 1 . ALA 61 61 17499 1 . ILE 62 62 17499 1 . VAL 63 63 17499 1 . LEU 64 64 17499 1 . SER 65 65 17499 1 . GLU 66 66 17499 1 . LEU 67 67 17499 1 . GLY 68 68 17499 1 . PHE 69 69 17499 1 . HIS 70 70 17499 1 . TYR 71 71 17499 1 . ASN 72 72 17499 1 . THR 73 73 17499 1 . ILE 74 74 17499 1 . PHE 75 75 17499 1 . LEU 76 76 17499 1 . ASP 77 77 17499 1 . PHE 78 78 17499 1 . ASN 79 79 17499 1 . LEU 80 80 17499 1 . GLY 81 81 17499 1 . GLU 82 82 17499 1 . HIS 83 83 17499 1 . ARG 84 84 17499 1 . ALA 85 85 17499 1 . PRO 86 86 17499 1 . GLU 87 87 17499 1 . PHE 88 88 17499 1 . VAL 89 89 17499 1 . SER 90 90 17499 1 . VAL 91 91 17499 1 . ASN 92 92 17499 1 . PRO 93 93 17499 1 . ASN 94 94 17499 1 . ALA 95 95 17499 1 . ARG 96 96 17499 1 . VAL 97 97 17499 1 . PRO 98 98 17499 1 . ALA 99 99 17499 1 . LEU 100 100 17499 1 . ILE 101 101 17499 1 . ASP 102 102 17499 1 . HIS 103 103 17499 1 . GLY 104 104 17499 1 . MET 105 105 17499 1 . ASP 106 106 17499 1 . ASN 107 107 17499 1 . LEU 108 108 17499 1 . SER 109 109 17499 1 . ILE 110 110 17499 1 . TRP 111 111 17499 1 . GLU 112 112 17499 1 . SER 113 113 17499 1 . GLY 114 114 17499 1 . ALA 115 115 17499 1 . ILE 116 116 17499 1 . LEU 117 117 17499 1 . LEU 118 118 17499 1 . HIS 119 119 17499 1 . LEU 120 120 17499 1 . VAL 121 121 17499 1 . ASN 122 122 17499 1 . LYS 123 123 17499 1 . TYR 124 124 17499 1 . TYR 125 125 17499 1 . LYS 126 126 17499 1 . GLU 127 127 17499 1 . THR 128 128 17499 1 . GLY 129 129 17499 1 . ASN 130 130 17499 1 . PRO 131 131 17499 1 . LEU 132 132 17499 1 . LEU 133 133 17499 1 . TRP 134 134 17499 1 . SER 135 135 17499 1 . ASP 136 136 17499 1 . ASP 137 137 17499 1 . LEU 138 138 17499 1 . ALA 139 139 17499 1 . ASP 140 140 17499 1 . GLN 141 141 17499 1 . SER 142 142 17499 1 . GLN 143 143 17499 1 . ILE 144 144 17499 1 . ASN 145 145 17499 1 . ALA 146 146 17499 1 . TRP 147 147 17499 1 . LEU 148 148 17499 1 . PHE 149 149 17499 1 . PHE 150 150 17499 1 . GLN 151 151 17499 1 . THR 152 152 17499 1 . SER 153 153 17499 1 . GLY 154 154 17499 1 . HIS 155 155 17499 1 . ALA 156 156 17499 1 . PRO 157 157 17499 1 . MET 158 158 17499 1 . ILE 159 159 17499 1 . GLY 160 160 17499 1 . GLN 161 161 17499 1 . ALA 162 162 17499 1 . LEU 163 163 17499 1 . HIS 164 164 17499 1 . PHE 165 165 17499 1 . ARG 166 166 17499 1 . TYR 167 167 17499 1 . PHE 168 168 17499 1 . HIS 169 169 17499 1 . SER 170 170 17499 1 . GLN 171 171 17499 1 . LYS 172 172 17499 1 . ILE 173 173 17499 1 . ALA 174 174 17499 1 . SER 175 175 17499 1 . ALA 176 176 17499 1 . VAL 177 177 17499 1 . GLU 178 178 17499 1 . ARG 179 179 17499 1 . TYR 180 180 17499 1 . THR 181 181 17499 1 . ASP 182 182 17499 1 . GLU 183 183 17499 1 . VAL 184 184 17499 1 . ARG 185 185 17499 1 . ARG 186 186 17499 1 . VAL 187 187 17499 1 . TYR 188 188 17499 1 . GLY 189 189 17499 1 . VAL 190 190 17499 1 . VAL 191 191 17499 1 . GLU 192 192 17499 1 . MET 193 193 17499 1 . ALA 194 194 17499 1 . LEU 195 195 17499 1 . ALA 196 196 17499 1 . GLU 197 197 17499 1 . ARG 198 198 17499 1 . ARG 199 199 17499 1 . GLU 200 200 17499 1 . ALA 201 201 17499 1 . LEU 202 202 17499 1 . VAL 203 203 17499 1 . MET 204 204 17499 1 . GLU 205 205 17499 1 . LEU 206 206 17499 1 . ASP 207 207 17499 1 . THR 208 208 17499 1 . GLU 209 209 17499 1 . ASN 210 210 17499 1 . ALA 211 211 17499 1 . ALA 212 212 17499 1 . ALA 213 213 17499 1 . TYR 214 214 17499 1 . SER 215 215 17499 1 . ALA 216 216 17499 1 . GLY 217 217 17499 1 . THR 218 218 17499 1 . THR 219 219 17499 1 . PRO 220 220 17499 1 . MET 221 221 17499 1 . SER 222 222 17499 1 . GLN 223 223 17499 1 . SER 224 224 17499 1 . ARG 225 225 17499 1 . PHE 226 226 17499 1 . PHE 227 227 17499 1 . ASP 228 228 17499 1 . TYR 229 229 17499 1 . PRO 230 230 17499 1 . VAL 231 231 17499 1 . TRP 232 232 17499 1 . LEU 233 233 17499 1 . VAL 234 234 17499 1 . GLY 235 235 17499 1 . ASP 236 236 17499 1 . LYS 237 237 17499 1 . LEU 238 238 17499 1 . THR 239 239 17499 1 . ILE 240 240 17499 1 . ALA 241 241 17499 1 . ASP 242 242 17499 1 . LEU 243 243 17499 1 . ALA 244 244 17499 1 . PHE 245 245 17499 1 . VAL 246 246 17499 1 . PRO 247 247 17499 1 . TRP 248 248 17499 1 . ASN 249 249 17499 1 . ASN 250 250 17499 1 . VAL 251 251 17499 1 . VAL 252 252 17499 1 . ASP 253 253 17499 1 . ARG 254 254 17499 1 . ILE 255 255 17499 1 . GLY 256 256 17499 1 . ILE 257 257 17499 1 . ASN 258 258 17499 1 . ILE 259 259 17499 1 . LYS 260 260 17499 1 . ILE 261 261 17499 1 . GLU 262 262 17499 1 . PHE 263 263 17499 1 . PRO 264 264 17499 1 . GLU 265 265 17499 1 . VAL 266 266 17499 1 . TYR 267 267 17499 1 . LYS 268 268 17499 1 . TRP 269 269 17499 1 . THR 270 270 17499 1 . LYS 271 271 17499 1 . HIS 272 272 17499 1 . MET 273 273 17499 1 . MET 274 274 17499 1 . ARG 275 275 17499 1 . ARG 276 276 17499 1 . PRO 277 277 17499 1 . ALA 278 278 17499 1 . VAL 279 279 17499 1 . ILE 280 280 17499 1 . LYS 281 281 17499 1 . ALA 282 282 17499 1 . LEU 283 283 17499 1 . ARG 284 284 17499 1 . GLY 285 285 17499 1 . GLU 286 286 17499 1 . ARG 287 287 17499 1 . GLY 288 288 17499 1 . SER 289 289 17499 1 . HIS 290 290 17499 1 . HIS 291 291 17499 1 . HIS 292 292 17499 1 . HIS 293 293 17499 1 . HIS 294 294 17499 1 . HIS 295 295 17499 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 17499 _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 $Ure2p70-354 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17499 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 17499 _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 $Ure2p70-354 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . 'pET 3A' . . . . . . 17499 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17499 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 Ure2p70-354 '[U-100% 13C; U-100% 15N]' . . 1 $Ure2p70-354 . . . 20 40 mg . . . . 17499 1 2 KCl 'natural abundance' . . . . . . 75 . . mM . . . . 17499 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17499 1 4 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 17499 1 5 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 17499 1 6 DSS 'natural abundance' . . . . . . 0.5 . . mg . . . . 17499 1 7 H2O 'natural abundance' . . . . . . 100 . . % . . . . 17499 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17499 _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 7.5 . pH 17499 1 pressure 1 . atm 17499 1 temperature 273 . K 17499 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 17499 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17499 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17499 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17499 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17499 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17499 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17499 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17499 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 17499 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17499 _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 '3D NCACB (DREAM)' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17499 1 2 '3D N(CO)CACB' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17499 1 3 '3D CAN(CO)CA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17499 1 4 '3D CCC' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17499 1 5 '3D NCACX (DARR)' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17499 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17499 _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 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17499 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17499 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17499 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACB (DREAM)' . . . 17499 1 2 '3D N(CO)CACB' . . . 17499 1 3 '3D CAN(CO)CA' . . . 17499 1 4 '3D CCC' . . . 17499 1 5 '3D NCACX (DARR)' . . . 17499 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 45 45 GLY CA C 13 45.488 0.001 . 1 . . . . 113 Gly CA . 17499 1 2 . 1 1 46 46 TYR C C 13 176.384 0.150 . 1 . . . . 114 Tyr C . 17499 1 3 . 1 1 46 46 TYR CA C 13 57.306 0.125 . 1 . . . . 114 Tyr CA . 17499 1 4 . 1 1 46 46 TYR CB C 13 42.142 0.164 . 1 . . . . 114 Tyr CB . 17499 1 5 . 1 1 46 46 TYR CG C 13 130.118 0.150 . 1 . . . . 114 Tyr CG . 17499 1 6 . 1 1 46 46 TYR CD2 C 13 132.420 0.150 . 3 . . . . 114 Tyr CD2 . 17499 1 7 . 1 1 46 46 TYR CZ C 13 157.483 0.150 . 1 . . . . 114 Tyr CZ . 17499 1 8 . 1 1 46 46 TYR N N 15 118.600 0.085 . 1 . . . . 114 Tyr N . 17499 1 9 . 1 1 47 47 THR C C 13 172.221 0.016 . 1 . . . . 115 Thr C . 17499 1 10 . 1 1 47 47 THR CA C 13 63.460 0.139 . 1 . . . . 115 Thr CA . 17499 1 11 . 1 1 47 47 THR CB C 13 69.403 0.158 . 1 . . . . 115 Thr CB . 17499 1 12 . 1 1 47 47 THR CG2 C 13 21.393 0.028 . 1 . . . . 115 Thr CG2 . 17499 1 13 . 1 1 47 47 THR N N 15 119.816 0.056 . 1 . . . . 115 Thr N . 17499 1 14 . 1 1 48 48 LEU CA C 13 52.825 0.055 . 1 . . . . 116 Leu CA . 17499 1 15 . 1 1 48 48 LEU CB C 13 44.719 0.048 . 1 . . . . 116 Leu CB . 17499 1 16 . 1 1 48 48 LEU CG C 13 27.737 0.037 . 1 . . . . 116 Leu CG . 17499 1 17 . 1 1 48 48 LEU CD1 C 13 23.143 0.150 . 2 . . . . 116 Leu CD1 . 17499 1 18 . 1 1 48 48 LEU CD2 C 13 25.192 0.150 . 2 . . . . 116 Leu CD2 . 17499 1 19 . 1 1 48 48 LEU N N 15 129.345 0.070 . 1 . . . . 116 Leu N . 17499 1 20 . 1 1 49 49 PHE CA C 13 57.413 0.099 . 1 . . . . 117 Phe CA . 17499 1 21 . 1 1 49 49 PHE CB C 13 40.225 0.146 . 1 . . . . 117 Phe CB . 17499 1 22 . 1 1 49 49 PHE CG C 13 139.325 0.150 . 1 . . . . 117 Phe CG . 17499 1 23 . 1 1 49 49 PHE CD2 C 13 131.227 0.150 . 3 . . . . 117 Phe CD2 . 17499 1 24 . 1 1 49 49 PHE CE2 C 13 130.118 0.150 . 3 . . . . 117 Phe CE2 . 17499 1 25 . 1 1 49 49 PHE N N 15 125.624 0.170 . 1 . . . . 117 Phe N . 17499 1 26 . 1 1 50 50 SER C C 13 173.157 0.150 . 1 . . . . 118 Ser C . 17499 1 27 . 1 1 50 50 SER CA C 13 54.018 0.029 . 1 . . . . 118 Ser CA . 17499 1 28 . 1 1 50 50 SER CB C 13 64.667 0.064 . 1 . . . . 118 Ser CB . 17499 1 29 . 1 1 50 50 SER N N 15 115.877 0.063 . 1 . . . . 118 Ser N . 17499 1 30 . 1 1 54 54 ALA CA C 13 49.413 0.150 . 1 . . . . 122 Ala CA . 17499 1 31 . 1 1 54 54 ALA CB C 13 20.146 0.150 . 1 . . . . 122 Ala CB . 17499 1 32 . 1 1 54 54 ALA N N 15 124.540 0.150 . 1 . . . . 122 Ala N . 17499 1 33 . 1 1 55 55 PRO C C 13 178.813 0.153 . 1 . . . . 123 Pro C . 17499 1 34 . 1 1 55 55 PRO CA C 13 65.295 0.074 . 1 . . . . 123 Pro CA . 17499 1 35 . 1 1 55 55 PRO CB C 13 31.772 0.064 . 1 . . . . 123 Pro CB . 17499 1 36 . 1 1 55 55 PRO CG C 13 27.721 0.085 . 1 . . . . 123 Pro CG . 17499 1 37 . 1 1 55 55 PRO CD C 13 50.640 0.162 . 1 . . . . 123 Pro CD . 17499 1 38 . 1 1 55 55 PRO N N 15 139.728 0.076 . 1 . . . . 123 Pro N . 17499 1 39 . 1 1 56 56 ASN C C 13 175.722 0.150 . 1 . . . . 124 Asn C . 17499 1 40 . 1 1 56 56 ASN CA C 13 55.453 0.088 . 1 . . . . 124 Asn CA . 17499 1 41 . 1 1 56 56 ASN CB C 13 37.947 0.175 . 1 . . . . 124 Asn CB . 17499 1 42 . 1 1 56 56 ASN CG C 13 178.697 0.009 . 1 . . . . 124 Asn CG . 17499 1 43 . 1 1 56 56 ASN N N 15 111.233 0.037 . 1 . . . . 124 Asn N . 17499 1 44 . 1 1 57 57 GLY CA C 13 47.256 0.108 . 1 . . . . 125 Gly CA . 17499 1 45 . 1 1 57 57 GLY N N 15 106.940 0.051 . 1 . . . . 125 Gly N . 17499 1 46 . 1 1 58 58 PHE CA C 13 56.810 0.077 . 1 . . . . 126 Phe CA . 17499 1 47 . 1 1 58 58 PHE CB C 13 39.994 0.150 . 1 . . . . 126 Phe CB . 17499 1 48 . 1 1 58 58 PHE N N 15 122.259 0.044 . 1 . . . . 126 Phe N . 17499 1 49 . 1 1 59 59 LYS C C 13 176.421 0.014 . 1 . . . . 127 Lys C . 17499 1 50 . 1 1 59 59 LYS CA C 13 59.769 0.059 . 1 . . . . 127 Lys CA . 17499 1 51 . 1 1 59 59 LYS CB C 13 32.843 0.063 . 1 . . . . 127 Lys CB . 17499 1 52 . 1 1 59 59 LYS CG C 13 24.793 0.150 . 1 . . . . 127 Lys CG . 17499 1 53 . 1 1 59 59 LYS CD C 13 29.681 0.150 . 1 . . . . 127 Lys CD . 17499 1 54 . 1 1 59 59 LYS N N 15 116.975 0.150 . 1 . . . . 127 Lys N . 17499 1 55 . 1 1 60 60 VAL CA C 13 65.866 0.079 . 1 . . . . 128 Val CA . 17499 1 56 . 1 1 60 60 VAL CB C 13 31.278 0.013 . 1 . . . . 128 Val CB . 17499 1 57 . 1 1 60 60 VAL CG1 C 13 22.788 0.009 . 2 . . . . 128 Val CG1 . 17499 1 58 . 1 1 60 60 VAL CG2 C 13 24.351 0.046 . 2 . . . . 128 Val CG2 . 17499 1 59 . 1 1 60 60 VAL N N 15 114.713 0.180 . 1 . . . . 128 Val N . 17499 1 60 . 1 1 61 61 ALA CA C 13 55.652 0.058 . 1 . . . . 129 Ala CA . 17499 1 61 . 1 1 61 61 ALA CB C 13 18.092 0.026 . 1 . . . . 129 Ala CB . 17499 1 62 . 1 1 61 61 ALA N N 15 122.227 0.132 . 1 . . . . 129 Ala N . 17499 1 63 . 1 1 62 62 ILE C C 13 176.121 0.150 . 1 . . . . 130 Ile C . 17499 1 64 . 1 1 62 62 ILE CA C 13 65.881 0.084 . 1 . . . . 130 Ile CA . 17499 1 65 . 1 1 62 62 ILE CB C 13 38.087 0.074 . 1 . . . . 130 Ile CB . 17499 1 66 . 1 1 62 62 ILE CG1 C 13 26.174 0.150 . 1 . . . . 130 Ile CG1 . 17499 1 67 . 1 1 62 62 ILE CG2 C 13 19.431 0.069 . 1 . . . . 130 Ile CG2 . 17499 1 68 . 1 1 62 62 ILE CD1 C 13 14.422 0.150 . 1 . . . . 130 Ile CD1 . 17499 1 69 . 1 1 62 62 ILE N N 15 116.323 0.043 . 1 . . . . 130 Ile N . 17499 1 70 . 1 1 63 63 VAL CA C 13 67.776 0.058 . 1 . . . . 131 Val CA . 17499 1 71 . 1 1 63 63 VAL CB C 13 31.238 0.058 . 1 . . . . 131 Val CB . 17499 1 72 . 1 1 63 63 VAL CG1 C 13 21.544 0.150 . 2 . . . . 131 Val CG1 . 17499 1 73 . 1 1 63 63 VAL CG2 C 13 22.966 0.150 . 2 . . . . 131 Val CG2 . 17499 1 74 . 1 1 63 63 VAL N N 15 119.440 0.203 . 1 . . . . 131 Val N . 17499 1 75 . 1 1 64 64 LEU CA C 13 59.053 0.040 . 1 . . . . 132 Leu CA . 17499 1 76 . 1 1 64 64 LEU CB C 13 42.596 0.136 . 1 . . . . 132 Leu CB . 17499 1 77 . 1 1 64 64 LEU CG C 13 25.609 0.028 . 1 . . . . 132 Leu CG . 17499 1 78 . 1 1 64 64 LEU CD2 C 13 19.504 0.150 . 1 . . . . 132 Leu CD2 . 17499 1 79 . 1 1 64 64 LEU N N 15 119.526 0.033 . 1 . . . . 132 Leu N . 17499 1 80 . 1 1 65 65 SER CA C 13 61.779 0.088 . 1 . . . . 133 Ser CA . 17499 1 81 . 1 1 65 65 SER CB C 13 64.025 0.053 . 1 . . . . 133 Ser CB . 17499 1 82 . 1 1 65 65 SER N N 15 111.399 0.314 . 1 . . . . 133 Ser N . 17499 1 83 . 1 1 66 66 GLU CA C 13 59.555 0.070 . 1 . . . . 134 Glu CA . 17499 1 84 . 1 1 66 66 GLU CB C 13 31.021 0.098 . 1 . . . . 134 Glu CB . 17499 1 85 . 1 1 66 66 GLU CG C 13 35.814 0.150 . 1 . . . . 134 Glu CG . 17499 1 86 . 1 1 66 66 GLU CD C 13 182.019 0.150 . 1 . . . . 134 Glu CD . 17499 1 87 . 1 1 66 66 GLU N N 15 123.124 0.033 . 1 . . . . 134 Glu N . 17499 1 88 . 1 1 67 67 LEU CA C 13 55.055 0.075 . 1 . . . . 135 Leu CA . 17499 1 89 . 1 1 67 67 LEU CB C 13 40.737 0.115 . 1 . . . . 135 Leu CB . 17499 1 90 . 1 1 67 67 LEU CG C 13 27.670 0.039 . 1 . . . . 135 Leu CG . 17499 1 91 . 1 1 67 67 LEU CD2 C 13 25.878 0.037 . 1 . . . . 135 Leu CD2 . 17499 1 92 . 1 1 67 67 LEU N N 15 115.902 0.116 . 1 . . . . 135 Leu N . 17499 1 93 . 1 1 68 68 GLY CA C 13 45.756 0.116 . 1 . . . . 136 Gly CA . 17499 1 94 . 1 1 68 68 GLY N N 15 106.144 0.106 . 1 . . . . 136 Gly N . 17499 1 95 . 1 1 69 69 PHE CA C 13 54.510 0.035 . 1 . . . . 137 Phe CA . 17499 1 96 . 1 1 69 69 PHE CB C 13 39.151 0.059 . 1 . . . . 137 Phe CB . 17499 1 97 . 1 1 69 69 PHE CG C 13 138.827 0.150 . 1 . . . . 137 Phe CG . 17499 1 98 . 1 1 69 69 PHE CE2 C 13 130.292 0.150 . 3 . . . . 137 Phe CE2 . 17499 1 99 . 1 1 69 69 PHE N N 15 119.470 0.187 . 1 . . . . 137 Phe N . 17499 1 100 . 1 1 70 70 HIS CA C 13 56.567 0.101 . 1 . . . . 138 His CA . 17499 1 101 . 1 1 70 70 HIS CB C 13 30.521 0.049 . 1 . . . . 138 His CB . 17499 1 102 . 1 1 70 70 HIS CG C 13 134.615 0.150 . 1 . . . . 138 His CG . 17499 1 103 . 1 1 70 70 HIS CD2 C 13 119.605 0.150 . 1 . . . . 138 His CD2 . 17499 1 104 . 1 1 70 70 HIS N N 15 123.774 0.199 . 1 . . . . 138 His N . 17499 1 105 . 1 1 71 71 TYR CA C 13 54.563 0.072 . 1 . . . . 139 Tyr CA . 17499 1 106 . 1 1 71 71 TYR CB C 13 41.817 0.102 . 1 . . . . 139 Tyr CB . 17499 1 107 . 1 1 71 71 TYR CD1 C 13 134.540 0.150 . 3 . . . . 139 Tyr CD1 . 17499 1 108 . 1 1 71 71 TYR CE1 C 13 118.286 0.150 . 3 . . . . 139 Tyr CE1 . 17499 1 109 . 1 1 71 71 TYR CZ C 13 158.043 0.150 . 1 . . . . 139 Tyr CZ . 17499 1 110 . 1 1 71 71 TYR N N 15 120.563 0.368 . 1 . . . . 139 Tyr N . 17499 1 111 . 1 1 72 72 ASN C C 13 173.624 0.150 . 1 . . . . 140 Asn C . 17499 1 112 . 1 1 72 72 ASN CA C 13 51.521 0.052 . 1 . . . . 140 Asn CA . 17499 1 113 . 1 1 72 72 ASN CB C 13 42.155 0.023 . 1 . . . . 140 Asn CB . 17499 1 114 . 1 1 72 72 ASN CG C 13 174.028 0.150 . 1 . . . . 140 Asn CG . 17499 1 115 . 1 1 72 72 ASN N N 15 117.579 0.057 . 1 . . . . 140 Asn N . 17499 1 116 . 1 1 73 73 THR CA C 13 61.562 0.064 . 1 . . . . 141 Thr CA . 17499 1 117 . 1 1 73 73 THR CB C 13 69.552 0.127 . 1 . . . . 141 Thr CB . 17499 1 118 . 1 1 73 73 THR CG2 C 13 20.690 0.181 . 1 . . . . 141 Thr CG2 . 17499 1 119 . 1 1 73 73 THR N N 15 119.117 0.035 . 1 . . . . 141 Thr N . 17499 1 120 . 1 1 74 74 ILE CA C 13 60.137 0.236 . 1 . . . . 142 Ile CA . 17499 1 121 . 1 1 74 74 ILE CB C 13 38.327 0.111 . 1 . . . . 142 Ile CB . 17499 1 122 . 1 1 74 74 ILE CG1 C 13 26.620 0.209 . 1 . . . . 142 Ile CG1 . 17499 1 123 . 1 1 74 74 ILE CG2 C 13 19.367 0.027 . 1 . . . . 142 Ile CG2 . 17499 1 124 . 1 1 74 74 ILE CD1 C 13 14.686 0.035 . 1 . . . . 142 Ile CD1 . 17499 1 125 . 1 1 74 74 ILE N N 15 128.437 0.153 . 1 . . . . 142 Ile N . 17499 1 126 . 1 1 75 75 PHE C C 13 176.969 0.150 . 1 . . . . 143 Phe C . 17499 1 127 . 1 1 75 75 PHE CA C 13 56.603 0.110 . 1 . . . . 143 Phe CA . 17499 1 128 . 1 1 75 75 PHE CB C 13 37.758 0.048 . 1 . . . . 143 Phe CB . 17499 1 129 . 1 1 75 75 PHE CD2 C 13 130.562 0.150 . 3 . . . . 143 Phe CD2 . 17499 1 130 . 1 1 75 75 PHE CE2 C 13 131.365 0.150 . 3 . . . . 143 Phe CE2 . 17499 1 131 . 1 1 75 75 PHE CZ C 13 129.493 0.150 . 1 . . . . 143 Phe CZ . 17499 1 132 . 1 1 75 75 PHE N N 15 128.179 0.152 . 1 . . . . 143 Phe N . 17499 1 133 . 1 1 77 77 ASP C C 13 176.845 0.054 . 1 . . . . 145 Asp C . 17499 1 134 . 1 1 77 77 ASP CA C 13 55.432 0.050 . 1 . . . . 145 Asp CA . 17499 1 135 . 1 1 77 77 ASP CB C 13 36.841 0.067 . 1 . . . . 145 Asp CB . 17499 1 136 . 1 1 77 77 ASP CG C 13 178.508 0.045 . 1 . . . . 145 Asp CG . 17499 1 137 . 1 1 77 77 ASP N N 15 120.055 0.206 . 1 . . . . 145 Asp N . 17499 1 138 . 1 1 78 78 PHE C C 13 175.228 0.054 . 1 . . . . 146 Phe C . 17499 1 139 . 1 1 78 78 PHE CA C 13 54.432 0.105 . 1 . . . . 146 Phe CA . 17499 1 140 . 1 1 78 78 PHE CB C 13 38.892 0.032 . 1 . . . . 146 Phe CB . 17499 1 141 . 1 1 78 78 PHE CG C 13 138.352 0.150 . 1 . . . . 146 Phe CG . 17499 1 142 . 1 1 78 78 PHE CD2 C 13 131.899 0.150 . 3 . . . . 146 Phe CD2 . 17499 1 143 . 1 1 78 78 PHE CE2 C 13 130.063 0.163 . 3 . . . . 146 Phe CE2 . 17499 1 144 . 1 1 78 78 PHE N N 15 113.440 0.183 . 1 . . . . 146 Phe N . 17499 1 145 . 1 1 79 79 ASN C C 13 175.250 0.150 . 1 . . . . 147 Asn C . 17499 1 146 . 1 1 79 79 ASN CA C 13 54.489 0.098 . 1 . . . . 147 Asn CA . 17499 1 147 . 1 1 79 79 ASN CB C 13 36.459 0.150 . 1 . . . . 147 Asn CB . 17499 1 148 . 1 1 79 79 ASN CG C 13 177.873 0.150 . 1 . . . . 147 Asn CG . 17499 1 149 . 1 1 79 79 ASN N N 15 110.720 0.036 . 1 . . . . 147 Asn N . 17499 1 150 . 1 1 84 84 ARG C C 13 176.563 0.078 . 1 . . . . 152 Arg C . 17499 1 151 . 1 1 84 84 ARG CA C 13 53.269 0.129 . 1 . . . . 152 Arg CA . 17499 1 152 . 1 1 84 84 ARG CB C 13 29.230 0.060 . 1 . . . . 152 Arg CB . 17499 1 153 . 1 1 84 84 ARG N N 15 114.661 0.150 . 1 . . . . 152 Arg N . 17499 1 154 . 1 1 85 85 ALA C C 13 176.691 0.044 . 1 . . . . 153 Ala C . 17499 1 155 . 1 1 85 85 ALA CA C 13 50.535 0.143 . 1 . . . . 153 Ala CA . 17499 1 156 . 1 1 85 85 ALA CB C 13 17.595 0.072 . 1 . . . . 153 Ala CB . 17499 1 157 . 1 1 85 85 ALA N N 15 125.512 0.028 . 1 . . . . 153 Ala N . 17499 1 158 . 1 1 89 89 VAL C C 13 178.041 0.150 . 1 . . . . 157 Val C . 17499 1 159 . 1 1 89 89 VAL CA C 13 64.235 0.085 . 1 . . . . 157 Val CA . 17499 1 160 . 1 1 89 89 VAL CB C 13 31.476 0.052 . 1 . . . . 157 Val CB . 17499 1 161 . 1 1 89 89 VAL CG1 C 13 21.543 0.150 . 2 . . . . 157 Val CG1 . 17499 1 162 . 1 1 89 89 VAL CG2 C 13 22.912 0.150 . 2 . . . . 157 Val CG2 . 17499 1 163 . 1 1 89 89 VAL N N 15 120.221 0.150 . 1 . . . . 157 Val N . 17499 1 164 . 1 1 90 90 SER C C 13 175.644 0.150 . 1 . . . . 158 Ser C . 17499 1 165 . 1 1 90 90 SER CA C 13 61.096 0.131 . 1 . . . . 158 Ser CA . 17499 1 166 . 1 1 90 90 SER CB C 13 63.035 0.121 . 1 . . . . 158 Ser CB . 17499 1 167 . 1 1 90 90 SER N N 15 111.492 0.065 . 1 . . . . 158 Ser N . 17499 1 168 . 1 1 94 94 ASN C C 13 174.837 0.007 . 1 . . . . 162 Asn C . 17499 1 169 . 1 1 94 94 ASN CA C 13 52.426 0.129 . 1 . . . . 162 Asn CA . 17499 1 170 . 1 1 94 94 ASN CB C 13 40.045 0.070 . 1 . . . . 162 Asn CB . 17499 1 171 . 1 1 94 94 ASN CG C 13 180.256 0.150 . 1 . . . . 162 Asn CG . 17499 1 172 . 1 1 94 94 ASN N N 15 111.704 0.150 . 1 . . . . 162 Asn N . 17499 1 173 . 1 1 95 95 ALA CA C 13 53.292 0.063 . 1 . . . . 163 Ala CA . 17499 1 174 . 1 1 95 95 ALA CB C 13 17.359 0.025 . 1 . . . . 163 Ala CB . 17499 1 175 . 1 1 95 95 ALA N N 15 115.503 0.100 . 1 . . . . 163 Ala N . 17499 1 176 . 1 1 96 96 ARG CA C 13 53.575 0.121 . 1 . . . . 164 Arg CA . 17499 1 177 . 1 1 96 96 ARG CB C 13 32.939 0.034 . 1 . . . . 164 Arg CB . 17499 1 178 . 1 1 96 96 ARG CD C 13 43.242 0.150 . 1 . . . . 164 Arg CD . 17499 1 179 . 1 1 96 96 ARG N N 15 113.881 0.297 . 1 . . . . 164 Arg N . 17499 1 180 . 1 1 97 97 VAL C C 13 179.541 0.150 . 1 . . . . 165 Val C . 17499 1 181 . 1 1 97 97 VAL CA C 13 64.909 0.032 . 1 . . . . 165 Val CA . 17499 1 182 . 1 1 97 97 VAL CB C 13 30.996 0.123 . 1 . . . . 165 Val CB . 17499 1 183 . 1 1 97 97 VAL CG1 C 13 17.377 0.059 . 2 . . . . 165 Val CG1 . 17499 1 184 . 1 1 97 97 VAL CG2 C 13 24.234 0.060 . 2 . . . . 165 Val CG2 . 17499 1 185 . 1 1 97 97 VAL N N 15 107.524 0.016 . 1 . . . . 165 Val N . 17499 1 186 . 1 1 98 98 PRO C C 13 175.006 0.074 . 1 . . . . 166 Pro C . 17499 1 187 . 1 1 98 98 PRO CA C 13 61.485 0.189 . 1 . . . . 166 Pro CA . 17499 1 188 . 1 1 98 98 PRO CB C 13 36.957 0.091 . 1 . . . . 166 Pro CB . 17499 1 189 . 1 1 98 98 PRO CG C 13 23.869 0.098 . 1 . . . . 166 Pro CG . 17499 1 190 . 1 1 98 98 PRO CD C 13 50.165 0.117 . 1 . . . . 166 Pro CD . 17499 1 191 . 1 1 98 98 PRO N N 15 128.638 0.150 . 1 . . . . 166 Pro N . 17499 1 192 . 1 1 99 99 ALA CA C 13 51.813 0.089 . 1 . . . . 167 Ala CA . 17499 1 193 . 1 1 99 99 ALA CB C 13 22.496 0.123 . 1 . . . . 167 Ala CB . 17499 1 194 . 1 1 99 99 ALA N N 15 116.265 0.066 . 1 . . . . 167 Ala N . 17499 1 195 . 1 1 100 100 LEU C C 13 175.374 0.150 . 1 . . . . 168 Leu C . 17499 1 196 . 1 1 100 100 LEU CA C 13 52.635 0.142 . 1 . . . . 168 Leu CA . 17499 1 197 . 1 1 100 100 LEU CB C 13 48.224 0.103 . 1 . . . . 168 Leu CB . 17499 1 198 . 1 1 100 100 LEU CG C 13 27.359 0.018 . 1 . . . . 168 Leu CG . 17499 1 199 . 1 1 100 100 LEU CD1 C 13 26.755 0.073 . 2 . . . . 168 Leu CD1 . 17499 1 200 . 1 1 100 100 LEU CD2 C 13 26.261 0.030 . 2 . . . . 168 Leu CD2 . 17499 1 201 . 1 1 100 100 LEU N N 15 124.877 0.079 . 1 . . . . 168 Leu N . 17499 1 202 . 1 1 101 101 ILE C C 13 175.340 0.024 . 1 . . . . 169 Ile C . 17499 1 203 . 1 1 101 101 ILE CA C 13 59.307 0.149 . 1 . . . . 169 Ile CA . 17499 1 204 . 1 1 101 101 ILE CB C 13 42.368 0.069 . 1 . . . . 169 Ile CB . 17499 1 205 . 1 1 101 101 ILE CG1 C 13 25.467 0.088 . 1 . . . . 169 Ile CG1 . 17499 1 206 . 1 1 101 101 ILE N N 15 123.170 0.176 . 1 . . . . 169 Ile N . 17499 1 207 . 1 1 102 102 ASP C C 13 176.698 0.052 . 1 . . . . 170 Asp C . 17499 1 208 . 1 1 102 102 ASP CA C 13 51.543 0.090 . 1 . . . . 170 Asp CA . 17499 1 209 . 1 1 102 102 ASP CB C 13 40.961 0.077 . 1 . . . . 170 Asp CB . 17499 1 210 . 1 1 102 102 ASP CG C 13 179.581 0.056 . 1 . . . . 170 Asp CG . 17499 1 211 . 1 1 102 102 ASP N N 15 126.004 0.173 . 1 . . . . 170 Asp N . 17499 1 212 . 1 1 103 103 HIS CA C 13 59.527 0.064 . 1 . . . . 171 His CA . 17499 1 213 . 1 1 103 103 HIS CB C 13 27.711 0.108 . 1 . . . . 171 His CB . 17499 1 214 . 1 1 103 103 HIS CG C 13 129.275 0.035 . 1 . . . . 171 His CG . 17499 1 215 . 1 1 103 103 HIS CD2 C 13 128.341 0.033 . 1 . . . . 171 His CD2 . 17499 1 216 . 1 1 103 103 HIS CE1 C 13 139.096 0.150 . 1 . . . . 171 His CE1 . 17499 1 217 . 1 1 103 103 HIS N N 15 122.365 0.077 . 1 . . . . 171 His N . 17499 1 218 . 1 1 104 104 GLY CA C 13 45.881 0.082 . 1 . . . . 172 Gly CA . 17499 1 219 . 1 1 104 104 GLY N N 15 106.040 0.148 . 1 . . . . 172 Gly N . 17499 1 220 . 1 1 105 105 MET C C 13 175.127 0.055 . 1 . . . . 173 Met C . 17499 1 221 . 1 1 105 105 MET CA C 13 54.514 0.064 . 1 . . . . 173 Met CA . 17499 1 222 . 1 1 105 105 MET CB C 13 31.678 0.078 . 1 . . . . 173 Met CB . 17499 1 223 . 1 1 105 105 MET CG C 13 32.829 0.045 . 1 . . . . 173 Met CG . 17499 1 224 . 1 1 105 105 MET N N 15 122.116 0.055 . 1 . . . . 173 Met N . 17499 1 225 . 1 1 106 106 ASP C C 13 175.306 0.150 . 1 . . . . 174 Asp C . 17499 1 226 . 1 1 106 106 ASP CA C 13 55.016 0.154 . 1 . . . . 174 Asp CA . 17499 1 227 . 1 1 106 106 ASP CB C 13 39.032 0.027 . 1 . . . . 174 Asp CB . 17499 1 228 . 1 1 106 106 ASP CG C 13 177.845 0.150 . 1 . . . . 174 Asp CG . 17499 1 229 . 1 1 106 106 ASP N N 15 116.888 0.055 . 1 . . . . 174 Asp N . 17499 1 230 . 1 1 107 107 ASN C C 13 173.475 0.123 . 1 . . . . 175 Asn C . 17499 1 231 . 1 1 107 107 ASN CA C 13 54.579 0.071 . 1 . . . . 175 Asn CA . 17499 1 232 . 1 1 107 107 ASN CB C 13 36.160 0.236 . 1 . . . . 175 Asn CB . 17499 1 233 . 1 1 107 107 ASN CG C 13 177.950 0.092 . 1 . . . . 175 Asn CG . 17499 1 234 . 1 1 107 107 ASN N N 15 110.603 0.196 . 1 . . . . 175 Asn N . 17499 1 235 . 1 1 108 108 LEU C C 13 175.305 0.062 . 1 . . . . 176 Leu C . 17499 1 236 . 1 1 108 108 LEU CA C 13 55.696 0.077 . 1 . . . . 176 Leu CA . 17499 1 237 . 1 1 108 108 LEU CB C 13 44.140 0.069 . 1 . . . . 176 Leu CB . 17499 1 238 . 1 1 108 108 LEU CG C 13 26.979 0.081 . 1 . . . . 176 Leu CG . 17499 1 239 . 1 1 108 108 LEU CD2 C 13 22.774 0.074 . 1 . . . . 176 Leu CD2 . 17499 1 240 . 1 1 108 108 LEU N N 15 122.442 0.116 . 1 . . . . 176 Leu N . 17499 1 241 . 1 1 109 109 SER CA C 13 55.863 0.103 . 1 . . . . 177 Ser CA . 17499 1 242 . 1 1 109 109 SER CB C 13 64.671 0.026 . 1 . . . . 177 Ser CB . 17499 1 243 . 1 1 109 109 SER N N 15 121.777 0.242 . 1 . . . . 177 Ser N . 17499 1 244 . 1 1 110 110 ILE CA C 13 62.359 0.059 . 1 . . . . 178 Ile CA . 17499 1 245 . 1 1 110 110 ILE CB C 13 40.878 0.150 . 1 . . . . 178 Ile CB . 17499 1 246 . 1 1 110 110 ILE N N 15 124.396 0.071 . 1 . . . . 178 Ile N . 17499 1 247 . 1 1 111 111 TRP CA C 13 54.054 0.182 . 1 . . . . 179 Trp CA . 17499 1 248 . 1 1 111 111 TRP CB C 13 30.067 0.208 . 1 . . . . 179 Trp CB . 17499 1 249 . 1 1 111 111 TRP N N 15 125.455 0.069 . 1 . . . . 179 Trp N . 17499 1 250 . 1 1 112 112 GLU CA C 13 57.074 0.154 . 1 . . . . 180 Glu CA . 17499 1 251 . 1 1 112 112 GLU CB C 13 29.004 0.092 . 1 . . . . 180 Glu CB . 17499 1 252 . 1 1 112 112 GLU CG C 13 34.140 0.090 . 1 . . . . 180 Glu CG . 17499 1 253 . 1 1 112 112 GLU CD C 13 180.352 0.032 . 1 . . . . 180 Glu CD . 17499 1 254 . 1 1 112 112 GLU N N 15 118.192 0.155 . 1 . . . . 180 Glu N . 17499 1 255 . 1 1 113 113 SER CA C 13 62.122 0.091 . 1 . . . . 181 Ser CA . 17499 1 256 . 1 1 113 113 SER CB C 13 63.163 0.073 . 1 . . . . 181 Ser CB . 17499 1 257 . 1 1 113 113 SER N N 15 121.866 0.220 . 1 . . . . 181 Ser N . 17499 1 258 . 1 1 114 114 GLY CA C 13 46.445 0.058 . 1 . . . . 182 Gly CA . 17499 1 259 . 1 1 114 114 GLY N N 15 110.851 0.067 . 1 . . . . 182 Gly N . 17499 1 260 . 1 1 115 115 ALA C C 13 180.854 0.150 . 1 . . . . 183 Ala C . 17499 1 261 . 1 1 115 115 ALA CA C 13 54.017 0.082 . 1 . . . . 183 Ala CA . 17499 1 262 . 1 1 115 115 ALA CB C 13 17.675 0.018 . 1 . . . . 183 Ala CB . 17499 1 263 . 1 1 115 115 ALA N N 15 120.668 0.013 . 1 . . . . 183 Ala N . 17499 1 264 . 1 1 116 116 ILE C C 13 176.842 0.062 . 1 . . . . 184 Ile C . 17499 1 265 . 1 1 116 116 ILE CA C 13 66.003 0.096 . 1 . . . . 184 Ile CA . 17499 1 266 . 1 1 116 116 ILE CB C 13 37.218 0.070 . 1 . . . . 184 Ile CB . 17499 1 267 . 1 1 116 116 ILE CG1 C 13 28.692 0.106 . 1 . . . . 184 Ile CG1 . 17499 1 268 . 1 1 116 116 ILE CG2 C 13 21.128 0.044 . 1 . . . . 184 Ile CG2 . 17499 1 269 . 1 1 116 116 ILE CD1 C 13 14.464 0.094 . 1 . . . . 184 Ile CD1 . 17499 1 270 . 1 1 116 116 ILE N N 15 119.914 0.041 . 1 . . . . 184 Ile N . 17499 1 271 . 1 1 117 117 LEU CA C 13 59.882 0.074 . 1 . . . . 185 Leu CA . 17499 1 272 . 1 1 117 117 LEU CB C 13 40.344 0.116 . 1 . . . . 185 Leu CB . 17499 1 273 . 1 1 117 117 LEU CG C 13 29.740 0.146 . 1 . . . . 185 Leu CG . 17499 1 274 . 1 1 117 117 LEU CD2 C 13 24.339 0.071 . 1 . . . . 185 Leu CD2 . 17499 1 275 . 1 1 117 117 LEU N N 15 119.854 0.078 . 1 . . . . 185 Leu N . 17499 1 276 . 1 1 118 118 LEU C C 13 179.616 0.150 . 1 . . . . 186 Leu C . 17499 1 277 . 1 1 118 118 LEU CA C 13 57.206 0.126 . 1 . . . . 186 Leu CA . 17499 1 278 . 1 1 118 118 LEU CB C 13 41.992 0.065 . 1 . . . . 186 Leu CB . 17499 1 279 . 1 1 118 118 LEU CG C 13 27.520 0.045 . 1 . . . . 186 Leu CG . 17499 1 280 . 1 1 118 118 LEU CD2 C 13 22.111 0.065 . 1 . . . . 186 Leu CD2 . 17499 1 281 . 1 1 118 118 LEU N N 15 114.785 0.070 . 1 . . . . 186 Leu N . 17499 1 282 . 1 1 119 119 HIS C C 13 177.123 0.051 . 1 . . . . 187 His C . 17499 1 283 . 1 1 119 119 HIS CA C 13 60.739 0.076 . 1 . . . . 187 His CA . 17499 1 284 . 1 1 119 119 HIS CB C 13 31.675 0.129 . 1 . . . . 187 His CB . 17499 1 285 . 1 1 119 119 HIS CG C 13 137.129 0.042 . 1 . . . . 187 His CG . 17499 1 286 . 1 1 119 119 HIS CD2 C 13 115.147 0.131 . 1 . . . . 187 His CD2 . 17499 1 287 . 1 1 119 119 HIS CE1 C 13 138.571 0.150 . 1 . . . . 187 His CE1 . 17499 1 288 . 1 1 119 119 HIS N N 15 122.316 0.139 . 1 . . . . 187 His N . 17499 1 289 . 1 1 120 120 LEU C C 13 179.498 0.150 . 1 . . . . 188 Leu C . 17499 1 290 . 1 1 120 120 LEU CA C 13 57.995 0.085 . 1 . . . . 188 Leu CA . 17499 1 291 . 1 1 120 120 LEU CB C 13 41.435 0.048 . 1 . . . . 188 Leu CB . 17499 1 292 . 1 1 120 120 LEU CG C 13 25.903 0.090 . 1 . . . . 188 Leu CG . 17499 1 293 . 1 1 120 120 LEU CD2 C 13 21.747 0.134 . 1 . . . . 188 Leu CD2 . 17499 1 294 . 1 1 120 120 LEU N N 15 115.368 0.079 . 1 . . . . 188 Leu N . 17499 1 295 . 1 1 121 121 VAL C C 13 179.266 0.131 . 1 . . . . 189 Val C . 17499 1 296 . 1 1 121 121 VAL CA C 13 65.207 0.066 . 1 . . . . 189 Val CA . 17499 1 297 . 1 1 121 121 VAL CB C 13 30.668 0.174 . 1 . . . . 189 Val CB . 17499 1 298 . 1 1 121 121 VAL CG1 C 13 16.249 0.150 . 2 . . . . 189 Val CG1 . 17499 1 299 . 1 1 121 121 VAL CG2 C 13 24.140 0.157 . 2 . . . . 189 Val CG2 . 17499 1 300 . 1 1 121 121 VAL N N 15 108.643 0.073 . 1 . . . . 189 Val N . 17499 1 301 . 1 1 122 122 ASN C C 13 175.911 0.150 . 1 . . . . 190 Asn C . 17499 1 302 . 1 1 122 122 ASN CA C 13 57.032 0.107 . 1 . . . . 190 Asn CA . 17499 1 303 . 1 1 122 122 ASN CB C 13 39.856 0.101 . 1 . . . . 190 Asn CB . 17499 1 304 . 1 1 122 122 ASN CG C 13 178.326 0.020 . 1 . . . . 190 Asn CG . 17499 1 305 . 1 1 122 122 ASN N N 15 121.171 0.184 . 1 . . . . 190 Asn N . 17499 1 306 . 1 1 123 123 LYS CA C 13 59.271 0.125 . 1 . . . . 191 Lys CA . 17499 1 307 . 1 1 123 123 LYS CB C 13 32.286 0.100 . 1 . . . . 191 Lys CB . 17499 1 308 . 1 1 123 123 LYS CG C 13 24.972 0.034 . 1 . . . . 191 Lys CG . 17499 1 309 . 1 1 123 123 LYS CD C 13 29.102 0.112 . 1 . . . . 191 Lys CD . 17499 1 310 . 1 1 123 123 LYS CE C 13 41.888 0.035 . 1 . . . . 191 Lys CE . 17499 1 311 . 1 1 123 123 LYS N N 15 119.599 0.149 . 1 . . . . 191 Lys N . 17499 1 312 . 1 1 127 127 GLU C C 13 178.599 0.085 . 1 . . . . 195 Glu C . 17499 1 313 . 1 1 127 127 GLU CA C 13 59.072 0.033 . 1 . . . . 195 Glu CA . 17499 1 314 . 1 1 127 127 GLU CB C 13 30.412 0.030 . 1 . . . . 195 Glu CB . 17499 1 315 . 1 1 127 127 GLU CG C 13 36.318 0.150 . 1 . . . . 195 Glu CG . 17499 1 316 . 1 1 127 127 GLU CD C 13 184.083 0.150 . 1 . . . . 195 Glu CD . 17499 1 317 . 1 1 127 127 GLU N N 15 119.774 0.150 . 1 . . . . 195 Glu N . 17499 1 318 . 1 1 128 128 THR C C 13 176.768 0.057 . 1 . . . . 196 Thr C . 17499 1 319 . 1 1 128 128 THR CB C 13 72.399 0.077 . 1 . . . . 196 Thr CB . 17499 1 320 . 1 1 128 128 THR CA C 13 62.587 0.188 . 1 . . . . 196 Thr CA . 17499 1 321 . 1 1 128 128 THR CG2 C 13 19.624 0.122 . 1 . . . . 196 Thr CG2 . 17499 1 322 . 1 1 128 128 THR N N 15 105.591 0.107 . 1 . . . . 196 Thr N . 17499 1 323 . 1 1 129 129 GLY C C 13 172.399 0.150 . 1 . . . . 197 Gly C . 17499 1 324 . 1 1 129 129 GLY CA C 13 45.728 0.028 . 1 . . . . 197 Gly CA . 17499 1 325 . 1 1 129 129 GLY N N 15 112.544 0.063 . 1 . . . . 197 Gly N . 17499 1 326 . 1 1 130 130 ASN C C 13 172.761 0.150 . 1 . . . . 198 Asn C . 17499 1 327 . 1 1 130 130 ASN CA C 13 48.953 0.160 . 1 . . . . 198 Asn CA . 17499 1 328 . 1 1 130 130 ASN CB C 13 40.511 0.093 . 1 . . . . 198 Asn CB . 17499 1 329 . 1 1 130 130 ASN CG C 13 176.803 0.150 . 1 . . . . 198 Asn CG . 17499 1 330 . 1 1 130 130 ASN N N 15 120.937 0.082 . 1 . . . . 198 Asn N . 17499 1 331 . 1 1 131 131 PRO CA C 13 61.559 0.154 . 1 . . . . 199 Pro CA . 17499 1 332 . 1 1 131 131 PRO CB C 13 31.947 0.075 . 1 . . . . 199 Pro CB . 17499 1 333 . 1 1 131 131 PRO CG C 13 26.844 0.099 . 1 . . . . 199 Pro CG . 17499 1 334 . 1 1 131 131 PRO CD C 13 50.199 0.122 . 1 . . . . 199 Pro CD . 17499 1 335 . 1 1 131 131 PRO N N 15 138.208 0.065 . 1 . . . . 199 Pro N . 17499 1 336 . 1 1 132 132 LEU C C 13 177.090 0.085 . 1 . . . . 200 Leu C . 17499 1 337 . 1 1 132 132 LEU CA C 13 56.943 0.097 . 1 . . . . 200 Leu CA . 17499 1 338 . 1 1 132 132 LEU CB C 13 43.251 0.038 . 1 . . . . 200 Leu CB . 17499 1 339 . 1 1 132 132 LEU CG C 13 26.827 0.072 . 1 . . . . 200 Leu CG . 17499 1 340 . 1 1 132 132 LEU N N 15 129.468 0.213 . 1 . . . . 200 Leu N . 17499 1 341 . 1 1 133 133 LEU C C 13 176.842 0.084 . 1 . . . . 201 Leu C . 17499 1 342 . 1 1 133 133 LEU CA C 13 56.254 0.112 . 1 . . . . 201 Leu CA . 17499 1 343 . 1 1 133 133 LEU CB C 13 40.916 0.052 . 1 . . . . 201 Leu CB . 17499 1 344 . 1 1 133 133 LEU CG C 13 26.964 0.093 . 1 . . . . 201 Leu CG . 17499 1 345 . 1 1 133 133 LEU CD2 C 13 22.748 0.058 . 1 . . . . 201 Leu CD2 . 17499 1 346 . 1 1 133 133 LEU N N 15 115.165 0.315 . 1 . . . . 201 Leu N . 17499 1 347 . 1 1 134 134 TRP C C 13 173.836 0.150 . 1 . . . . 202 Trp C . 17499 1 348 . 1 1 134 134 TRP CA C 13 53.492 0.086 . 1 . . . . 202 Trp CA . 17499 1 349 . 1 1 134 134 TRP CB C 13 34.205 0.138 . 1 . . . . 202 Trp CB . 17499 1 350 . 1 1 134 134 TRP CD2 C 13 128.099 0.150 . 1 . . . . 202 Trp CD2 . 17499 1 351 . 1 1 134 134 TRP N N 15 122.631 0.178 . 1 . . . . 202 Trp N . 17499 1 352 . 1 1 135 135 SER C C 13 172.284 0.080 . 1 . . . . 203 Ser C . 17499 1 353 . 1 1 135 135 SER CA C 13 57.376 0.139 . 1 . . . . 203 Ser CA . 17499 1 354 . 1 1 135 135 SER CB C 13 63.669 0.072 . 1 . . . . 203 Ser CB . 17499 1 355 . 1 1 135 135 SER N N 15 113.454 0.029 . 1 . . . . 203 Ser N . 17499 1 356 . 1 1 136 136 ASP CA C 13 53.075 0.120 . 1 . . . . 204 Asp CA . 17499 1 357 . 1 1 136 136 ASP CB C 13 40.378 0.160 . 1 . . . . 204 Asp CB . 17499 1 358 . 1 1 136 136 ASP CG C 13 180.215 0.150 . 1 . . . . 204 Asp CG . 17499 1 359 . 1 1 136 136 ASP N N 15 121.519 0.213 . 1 . . . . 204 Asp N . 17499 1 360 . 1 1 137 137 ASP C C 13 175.987 0.074 . 1 . . . . 205 Asp C . 17499 1 361 . 1 1 137 137 ASP CA C 13 52.760 0.051 . 1 . . . . 205 Asp CA . 17499 1 362 . 1 1 137 137 ASP CB C 13 43.797 0.136 . 1 . . . . 205 Asp CB . 17499 1 363 . 1 1 137 137 ASP CG C 13 180.049 0.150 . 1 . . . . 205 Asp CG . 17499 1 364 . 1 1 137 137 ASP N N 15 123.309 0.134 . 1 . . . . 205 Asp N . 17499 1 365 . 1 1 138 138 LEU CA C 13 58.602 0.052 . 1 . . . . 206 Leu CA . 17499 1 366 . 1 1 138 138 LEU CB C 13 41.865 0.172 . 1 . . . . 206 Leu CB . 17499 1 367 . 1 1 138 138 LEU CG C 13 27.249 0.099 . 1 . . . . 206 Leu CG . 17499 1 368 . 1 1 138 138 LEU N N 15 128.762 0.141 . 1 . . . . 206 Leu N . 17499 1 369 . 1 1 139 139 ALA CA C 13 55.859 0.050 . 1 . . . . 207 Ala CA . 17499 1 370 . 1 1 139 139 ALA CB C 13 18.673 0.025 . 1 . . . . 207 Ala CB . 17499 1 371 . 1 1 139 139 ALA N N 15 119.808 0.115 . 1 . . . . 207 Ala N . 17499 1 372 . 1 1 140 140 ASP CA C 13 57.182 0.060 . 1 . . . . 208 Asp CA . 17499 1 373 . 1 1 140 140 ASP CB C 13 39.664 0.061 . 1 . . . . 208 Asp CB . 17499 1 374 . 1 1 140 140 ASP CG C 13 179.407 0.150 . 1 . . . . 208 Asp CG . 17499 1 375 . 1 1 140 140 ASP N N 15 118.582 0.163 . 1 . . . . 208 Asp N . 17499 1 376 . 1 1 141 141 GLN CA C 13 59.962 0.107 . 1 . . . . 209 Gln CA . 17499 1 377 . 1 1 141 141 GLN CB C 13 27.016 0.058 . 1 . . . . 209 Gln CB . 17499 1 378 . 1 1 141 141 GLN CG C 13 32.696 0.159 . 1 . . . . 209 Gln CG . 17499 1 379 . 1 1 141 141 GLN CD C 13 179.009 0.033 . 1 . . . . 209 Gln CD . 17499 1 380 . 1 1 141 141 GLN N N 15 118.742 0.178 . 1 . . . . 209 Gln N . 17499 1 381 . 1 1 142 142 SER C C 13 175.929 0.150 . 1 . . . . 210 Ser C . 17499 1 382 . 1 1 142 142 SER CA C 13 61.458 0.282 . 1 . . . . 210 Ser CA . 17499 1 383 . 1 1 142 142 SER CB C 13 62.638 0.067 . 1 . . . . 210 Ser CB . 17499 1 384 . 1 1 142 142 SER N N 15 117.792 0.086 . 1 . . . . 210 Ser N . 17499 1 385 . 1 1 143 143 GLN C C 13 177.981 0.150 . 1 . . . . 211 Gln C . 17499 1 386 . 1 1 143 143 GLN CA C 13 58.793 0.129 . 1 . . . . 211 Gln CA . 17499 1 387 . 1 1 143 143 GLN CB C 13 29.664 0.023 . 1 . . . . 211 Gln CB . 17499 1 388 . 1 1 143 143 GLN CD C 13 180.501 0.150 . 1 . . . . 211 Gln CD . 17499 1 389 . 1 1 143 143 GLN N N 15 121.394 0.151 . 1 . . . . 211 Gln N . 17499 1 390 . 1 1 144 144 ILE C C 13 178.808 0.114 . 1 . . . . 212 Ile C . 17499 1 391 . 1 1 144 144 ILE CA C 13 66.233 0.144 . 1 . . . . 212 Ile CA . 17499 1 392 . 1 1 144 144 ILE CB C 13 38.772 0.094 . 1 . . . . 212 Ile CB . 17499 1 393 . 1 1 144 144 ILE CG1 C 13 29.695 0.164 . 1 . . . . 212 Ile CG1 . 17499 1 394 . 1 1 144 144 ILE CG2 C 13 17.451 0.090 . 1 . . . . 212 Ile CG2 . 17499 1 395 . 1 1 144 144 ILE CD1 C 13 15.389 0.066 . 1 . . . . 212 Ile CD1 . 17499 1 396 . 1 1 144 144 ILE N N 15 120.724 0.177 . 1 . . . . 212 Ile N . 17499 1 397 . 1 1 145 145 ASN C C 13 174.349 0.150 . 1 . . . . 213 Asn C . 17499 1 398 . 1 1 145 145 ASN CA C 13 55.460 0.078 . 1 . . . . 213 Asn CA . 17499 1 399 . 1 1 145 145 ASN CB C 13 36.650 0.042 . 1 . . . . 213 Asn CB . 17499 1 400 . 1 1 145 145 ASN CG C 13 178.226 0.150 . 1 . . . . 213 Asn CG . 17499 1 401 . 1 1 145 145 ASN N N 15 117.150 0.150 . 1 . . . . 213 Asn N . 17499 1 402 . 1 1 146 146 ALA C C 13 178.091 0.060 . 1 . . . . 214 Ala C . 17499 1 403 . 1 1 146 146 ALA CA C 13 56.484 0.101 . 1 . . . . 214 Ala CA . 17499 1 404 . 1 1 146 146 ALA CB C 13 16.199 0.055 . 1 . . . . 214 Ala CB . 17499 1 405 . 1 1 146 146 ALA N N 15 127.562 0.029 . 1 . . . . 214 Ala N . 17499 1 406 . 1 1 147 147 TRP C C 13 178.507 0.026 . 1 . . . . 215 Trp C . 17499 1 407 . 1 1 147 147 TRP CA C 13 60.961 0.066 . 1 . . . . 215 Trp CA . 17499 1 408 . 1 1 147 147 TRP CB C 13 31.440 0.174 . 1 . . . . 215 Trp CB . 17499 1 409 . 1 1 147 147 TRP CG C 13 111.470 0.265 . 1 . . . . 215 Trp CG . 17499 1 410 . 1 1 147 147 TRP CD2 C 13 129.581 0.038 . 1 . . . . 215 Trp CD2 . 17499 1 411 . 1 1 147 147 TRP CE2 C 13 140.105 0.150 . 1 . . . . 215 Trp CE2 . 17499 1 412 . 1 1 147 147 TRP N N 15 116.123 0.046 . 1 . . . . 215 Trp N . 17499 1 413 . 1 1 148 148 LEU CA C 13 58.418 0.107 . 1 . . . . 216 Leu CA . 17499 1 414 . 1 1 148 148 LEU CB C 13 43.575 0.088 . 1 . . . . 216 Leu CB . 17499 1 415 . 1 1 148 148 LEU CG C 13 27.152 0.027 . 1 . . . . 216 Leu CG . 17499 1 416 . 1 1 148 148 LEU CD1 C 13 23.870 0.063 . 2 . . . . 216 Leu CD1 . 17499 1 417 . 1 1 148 148 LEU CD2 C 13 26.239 0.063 . 2 . . . . 216 Leu CD2 . 17499 1 418 . 1 1 148 148 LEU N N 15 121.439 0.065 . 1 . . . . 216 Leu N . 17499 1 419 . 1 1 153 153 SER C C 13 178.465 0.020 . 1 . . . . 221 Ser C . 17499 1 420 . 1 1 153 153 SER CA C 13 59.673 0.082 . 1 . . . . 221 Ser CA . 17499 1 421 . 1 1 153 153 SER CB C 13 64.460 0.064 . 1 . . . . 221 Ser CB . 17499 1 422 . 1 1 153 153 SER N N 15 114.164 0.078 . 1 . . . . 221 Ser N . 17499 1 423 . 1 1 154 154 GLY CA C 13 44.779 0.047 . 1 . . . . 222 Gly CA . 17499 1 424 . 1 1 154 154 GLY N N 15 111.149 0.089 . 1 . . . . 222 Gly N . 17499 1 425 . 1 1 155 155 HIS CA C 13 58.144 0.053 . 1 . . . . 223 His CA . 17499 1 426 . 1 1 155 155 HIS CB C 13 29.813 0.026 . 1 . . . . 223 His CB . 17499 1 427 . 1 1 155 155 HIS N N 15 120.343 0.157 . 1 . . . . 223 His N . 17499 1 428 . 1 1 156 156 ALA C C 13 176.015 0.173 . 1 . . . . 224 Ala C . 17499 1 429 . 1 1 156 156 ALA CA C 13 56.397 0.147 . 1 . . . . 224 Ala CA . 17499 1 430 . 1 1 156 156 ALA CB C 13 15.686 0.118 . 1 . . . . 224 Ala CB . 17499 1 431 . 1 1 156 156 ALA N N 15 121.537 0.071 . 1 . . . . 224 Ala N . 17499 1 432 . 1 1 157 157 PRO C C 13 180.093 0.150 . 1 . . . . 225 Pro C . 17499 1 433 . 1 1 157 157 PRO CA C 13 65.666 0.104 . 1 . . . . 225 Pro CA . 17499 1 434 . 1 1 157 157 PRO CB C 13 30.744 0.133 . 1 . . . . 225 Pro CB . 17499 1 435 . 1 1 157 157 PRO CG C 13 29.629 0.094 . 1 . . . . 225 Pro CG . 17499 1 436 . 1 1 157 157 PRO CD C 13 51.219 0.113 . 1 . . . . 225 Pro CD . 17499 1 437 . 1 1 157 157 PRO N N 15 134.319 0.112 . 1 . . . . 225 Pro N . 17499 1 438 . 1 1 158 158 MET C C 13 178.264 0.087 . 1 . . . . 226 Met C . 17499 1 439 . 1 1 158 158 MET CA C 13 56.796 0.096 . 1 . . . . 226 Met CA . 17499 1 440 . 1 1 158 158 MET CB C 13 34.577 0.048 . 1 . . . . 226 Met CB . 17499 1 441 . 1 1 158 158 MET CG C 13 33.000 0.137 . 1 . . . . 226 Met CG . 17499 1 442 . 1 1 158 158 MET N N 15 112.809 0.177 . 1 . . . . 226 Met N . 17499 1 443 . 1 1 159 159 ILE C C 13 178.540 0.105 . 1 . . . . 227 Ile C . 17499 1 444 . 1 1 159 159 ILE CA C 13 66.281 0.096 . 1 . . . . 227 Ile CA . 17499 1 445 . 1 1 159 159 ILE CB C 13 37.680 0.203 . 1 . . . . 227 Ile CB . 17499 1 446 . 1 1 159 159 ILE CG1 C 13 30.706 0.097 . 1 . . . . 227 Ile CG1 . 17499 1 447 . 1 1 159 159 ILE CG2 C 13 17.849 0.141 . 1 . . . . 227 Ile CG2 . 17499 1 448 . 1 1 159 159 ILE CD1 C 13 14.414 0.063 . 1 . . . . 227 Ile CD1 . 17499 1 449 . 1 1 159 159 ILE N N 15 121.483 0.100 . 1 . . . . 227 Ile N . 17499 1 450 . 1 1 160 160 GLY CA C 13 47.516 0.079 . 1 . . . . 228 Gly CA . 17499 1 451 . 1 1 160 160 GLY N N 15 104.325 0.133 . 1 . . . . 228 Gly N . 17499 1 452 . 1 1 161 161 GLN C C 13 177.588 0.066 . 1 . . . . 229 Gln C . 17499 1 453 . 1 1 161 161 GLN CA C 13 56.761 0.108 . 1 . . . . 229 Gln CA . 17499 1 454 . 1 1 161 161 GLN CB C 13 24.266 0.101 . 1 . . . . 229 Gln CB . 17499 1 455 . 1 1 161 161 GLN CG C 13 31.962 0.188 . 1 . . . . 229 Gln CG . 17499 1 456 . 1 1 161 161 GLN CD C 13 180.268 0.036 . 1 . . . . 229 Gln CD . 17499 1 457 . 1 1 161 161 GLN N N 15 119.882 0.099 . 1 . . . . 229 Gln N . 17499 1 458 . 1 1 162 162 ALA CA C 13 56.577 0.069 . 1 . . . . 230 Ala CA . 17499 1 459 . 1 1 162 162 ALA CB C 13 19.038 0.024 . 1 . . . . 230 Ala CB . 17499 1 460 . 1 1 162 162 ALA N N 15 122.201 0.133 . 1 . . . . 230 Ala N . 17499 1 461 . 1 1 163 163 LEU C C 13 178.970 0.094 . 1 . . . . 231 Leu C . 17499 1 462 . 1 1 163 163 LEU CA C 13 58.351 0.063 . 1 . . . . 231 Leu CA . 17499 1 463 . 1 1 163 163 LEU CB C 13 42.895 0.035 . 1 . . . . 231 Leu CB . 17499 1 464 . 1 1 163 163 LEU CG C 13 27.149 0.088 . 1 . . . . 231 Leu CG . 17499 1 465 . 1 1 163 163 LEU N N 15 116.718 0.036 . 1 . . . . 231 Leu N . 17499 1 466 . 1 1 164 164 HIS CA C 13 61.705 0.150 . 1 . . . . 232 His CA . 17499 1 467 . 1 1 164 164 HIS CB C 13 30.856 0.150 . 1 . . . . 232 His CB . 17499 1 468 . 1 1 164 164 HIS N N 15 117.211 0.150 . 1 . . . . 232 His N . 17499 1 469 . 1 1 170 170 SER C C 13 173.746 0.059 . 1 . . . . 238 Ser C . 17499 1 470 . 1 1 170 170 SER CA C 13 60.991 0.081 . 1 . . . . 238 Ser CA . 17499 1 471 . 1 1 170 170 SER CB C 13 62.712 0.077 . 1 . . . . 238 Ser CB . 17499 1 472 . 1 1 170 170 SER N N 15 119.589 0.079 . 1 . . . . 238 Ser N . 17499 1 473 . 1 1 171 171 GLN C C 13 174.738 0.018 . 1 . . . . 239 Gln C . 17499 1 474 . 1 1 171 171 GLN CA C 13 54.210 0.093 . 1 . . . . 239 Gln CA . 17499 1 475 . 1 1 171 171 GLN CB C 13 32.369 0.046 . 1 . . . . 239 Gln CB . 17499 1 476 . 1 1 171 171 GLN CG C 13 33.688 0.101 . 1 . . . . 239 Gln CG . 17499 1 477 . 1 1 171 171 GLN CD C 13 180.289 0.150 . 1 . . . . 239 Gln CD . 17499 1 478 . 1 1 171 171 GLN N N 15 117.282 0.153 . 1 . . . . 239 Gln N . 17499 1 479 . 1 1 172 172 LYS C C 13 176.000 0.055 . 1 . . . . 240 Lys C . 17499 1 480 . 1 1 172 172 LYS CA C 13 55.988 0.111 . 1 . . . . 240 Lys CA . 17499 1 481 . 1 1 172 172 LYS CB C 13 31.534 0.071 . 1 . . . . 240 Lys CB . 17499 1 482 . 1 1 172 172 LYS CG C 13 24.287 0.150 . 1 . . . . 240 Lys CG . 17499 1 483 . 1 1 172 172 LYS CD C 13 28.930 0.175 . 1 . . . . 240 Lys CD . 17499 1 484 . 1 1 172 172 LYS CE C 13 39.811 0.150 . 1 . . . . 240 Lys CE . 17499 1 485 . 1 1 172 172 LYS N N 15 125.028 0.133 . 1 . . . . 240 Lys N . 17499 1 486 . 1 1 173 173 ILE C C 13 176.137 0.150 . 1 . . . . 241 Ile C . 17499 1 487 . 1 1 173 173 ILE CA C 13 59.706 0.164 . 1 . . . . 241 Ile CA . 17499 1 488 . 1 1 173 173 ILE CB C 13 38.237 0.079 . 1 . . . . 241 Ile CB . 17499 1 489 . 1 1 173 173 ILE CG1 C 13 26.258 0.111 . 1 . . . . 241 Ile CG1 . 17499 1 490 . 1 1 173 173 ILE CG2 C 13 19.341 0.069 . 1 . . . . 241 Ile CG2 . 17499 1 491 . 1 1 173 173 ILE CD1 C 13 14.684 0.041 . 1 . . . . 241 Ile CD1 . 17499 1 492 . 1 1 173 173 ILE N N 15 129.965 0.149 . 1 . . . . 241 Ile N . 17499 1 493 . 1 1 174 174 ALA C C 13 180.580 0.006 . 1 . . . . 242 Ala C . 17499 1 494 . 1 1 174 174 ALA CA C 13 56.269 0.047 . 1 . . . . 242 Ala CA . 17499 1 495 . 1 1 174 174 ALA CB C 13 18.196 0.081 . 1 . . . . 242 Ala CB . 17499 1 496 . 1 1 174 174 ALA N N 15 133.068 0.050 . 1 . . . . 242 Ala N . 17499 1 497 . 1 1 175 175 SER CA C 13 61.137 0.001 . 1 . . . . 243 Ser CA . 17499 1 498 . 1 1 175 175 SER CB C 13 61.382 0.181 . 1 . . . . 243 Ser CB . 17499 1 499 . 1 1 175 175 SER N N 15 112.095 0.065 . 1 . . . . 243 Ser N . 17499 1 500 . 1 1 176 176 ALA C C 13 177.639 0.048 . 1 . . . . 244 Ala C . 17499 1 501 . 1 1 176 176 ALA CA C 13 54.902 0.074 . 1 . . . . 244 Ala CA . 17499 1 502 . 1 1 176 176 ALA CB C 13 17.282 0.038 . 1 . . . . 244 Ala CB . 17499 1 503 . 1 1 176 176 ALA N N 15 127.197 0.134 . 1 . . . . 244 Ala N . 17499 1 504 . 1 1 177 177 VAL CA C 13 68.160 0.114 . 1 . . . . 245 Val CA . 17499 1 505 . 1 1 177 177 VAL CB C 13 32.174 0.050 . 1 . . . . 245 Val CB . 17499 1 506 . 1 1 177 177 VAL CG1 C 13 22.029 0.042 . 2 . . . . 245 Val CG1 . 17499 1 507 . 1 1 177 177 VAL CG2 C 13 22.778 0.078 . 2 . . . . 245 Val CG2 . 17499 1 508 . 1 1 177 177 VAL N N 15 117.272 0.067 . 1 . . . . 245 Val N . 17499 1 509 . 1 1 178 178 GLU CA C 13 59.022 0.063 . 1 . . . . 246 Glu CA . 17499 1 510 . 1 1 178 178 GLU CB C 13 29.777 0.071 . 1 . . . . 246 Glu CB . 17499 1 511 . 1 1 178 178 GLU CD C 13 184.022 0.033 . 1 . . . . 246 Glu CD . 17499 1 512 . 1 1 178 178 GLU N N 15 119.480 0.173 . 1 . . . . 246 Glu N . 17499 1 513 . 1 1 179 179 ARG C C 13 179.108 0.022 . 1 . . . . 247 Arg C . 17499 1 514 . 1 1 179 179 ARG CA C 13 58.761 0.037 . 1 . . . . 247 Arg CA . 17499 1 515 . 1 1 179 179 ARG CB C 13 28.879 0.060 . 1 . . . . 247 Arg CB . 17499 1 516 . 1 1 179 179 ARG CG C 13 26.069 0.049 . 1 . . . . 247 Arg CG . 17499 1 517 . 1 1 179 179 ARG CD C 13 43.317 0.150 . 1 . . . . 247 Arg CD . 17499 1 518 . 1 1 179 179 ARG N N 15 117.377 0.114 . 1 . . . . 247 Arg N . 17499 1 519 . 1 1 180 180 TYR C C 13 179.257 0.150 . 1 . . . . 248 Tyr C . 17499 1 520 . 1 1 180 180 TYR CA C 13 63.446 0.134 . 1 . . . . 248 Tyr CA . 17499 1 521 . 1 1 180 180 TYR CB C 13 38.867 0.067 . 1 . . . . 248 Tyr CB . 17499 1 522 . 1 1 180 180 TYR CG C 13 131.564 0.150 . 1 . . . . 248 Tyr CG . 17499 1 523 . 1 1 180 180 TYR CE1 C 13 117.098 0.150 . 3 . . . . 248 Tyr CE1 . 17499 1 524 . 1 1 180 180 TYR CE2 C 13 120.289 0.150 . 3 . . . . 248 Tyr CE2 . 17499 1 525 . 1 1 180 180 TYR CZ C 13 158.908 0.150 . 1 . . . . 248 Tyr CZ . 17499 1 526 . 1 1 180 180 TYR N N 15 114.901 0.175 . 1 . . . . 248 Tyr N . 17499 1 527 . 1 1 181 181 THR CA C 13 68.034 0.236 . 1 . . . . 249 Thr CA . 17499 1 528 . 1 1 181 181 THR CB C 13 68.368 0.103 . 1 . . . . 249 Thr CB . 17499 1 529 . 1 1 181 181 THR N N 15 117.598 0.228 . 1 . . . . 249 Thr N . 17499 1 530 . 1 1 182 182 ASP C C 13 178.164 0.065 . 1 . . . . 250 Asp C . 17499 1 531 . 1 1 182 182 ASP CA C 13 57.585 0.076 . 1 . . . . 250 Asp CA . 17499 1 532 . 1 1 182 182 ASP CB C 13 39.472 0.018 . 1 . . . . 250 Asp CB . 17499 1 533 . 1 1 182 182 ASP CG C 13 179.786 0.052 . 1 . . . . 250 Asp CG . 17499 1 534 . 1 1 182 182 ASP N N 15 121.950 0.029 . 1 . . . . 250 Asp N . 17499 1 535 . 1 1 183 183 GLU C C 13 178.096 0.150 . 1 . . . . 251 Glu C . 17499 1 536 . 1 1 183 183 GLU CA C 13 57.923 0.050 . 1 . . . . 251 Glu CA . 17499 1 537 . 1 1 183 183 GLU CB C 13 29.752 0.034 . 1 . . . . 251 Glu CB . 17499 1 538 . 1 1 183 183 GLU CG C 13 34.690 0.150 . 1 . . . . 251 Glu CG . 17499 1 539 . 1 1 183 183 GLU CD C 13 180.666 0.150 . 1 . . . . 251 Glu CD . 17499 1 540 . 1 1 183 183 GLU N N 15 120.598 0.072 . 1 . . . . 251 Glu N . 17499 1 541 . 1 1 184 184 VAL C C 13 178.566 0.159 . 1 . . . . 252 Val C . 17499 1 542 . 1 1 184 184 VAL CA C 13 67.720 0.092 . 1 . . . . 252 Val CA . 17499 1 543 . 1 1 184 184 VAL CB C 13 31.256 0.170 . 1 . . . . 252 Val CB . 17499 1 544 . 1 1 184 184 VAL CG1 C 13 24.239 0.116 . 2 . . . . 252 Val CG1 . 17499 1 545 . 1 1 184 184 VAL CG2 C 13 21.504 0.062 . 2 . . . . 252 Val CG2 . 17499 1 546 . 1 1 184 184 VAL N N 15 120.207 0.310 . 1 . . . . 252 Val N . 17499 1 547 . 1 1 185 185 ARG C C 13 179.452 0.088 . 1 . . . . 253 Arg C . 17499 1 548 . 1 1 185 185 ARG CA C 13 62.236 0.045 . 1 . . . . 253 Arg CA . 17499 1 549 . 1 1 185 185 ARG CB C 13 30.276 0.062 . 1 . . . . 253 Arg CB . 17499 1 550 . 1 1 185 185 ARG CD C 13 43.049 0.150 . 1 . . . . 253 Arg CD . 17499 1 551 . 1 1 185 185 ARG N N 15 118.711 0.096 . 1 . . . . 253 Arg N . 17499 1 552 . 1 1 186 186 ARG C C 13 180.307 0.150 . 1 . . . . 254 Arg C . 17499 1 553 . 1 1 186 186 ARG CA C 13 60.416 0.110 . 1 . . . . 254 Arg CA . 17499 1 554 . 1 1 186 186 ARG CB C 13 29.859 0.013 . 1 . . . . 254 Arg CB . 17499 1 555 . 1 1 186 186 ARG CD C 13 42.138 0.150 . 1 . . . . 254 Arg CD . 17499 1 556 . 1 1 186 186 ARG N N 15 124.220 0.088 . 1 . . . . 254 Arg N . 17499 1 557 . 1 1 188 188 TYR C C 13 177.736 0.043 . 1 . . . . 256 Tyr C . 17499 1 558 . 1 1 188 188 TYR CA C 13 64.093 0.096 . 1 . . . . 256 Tyr CA . 17499 1 559 . 1 1 188 188 TYR CB C 13 35.789 0.084 . 1 . . . . 256 Tyr CB . 17499 1 560 . 1 1 188 188 TYR CZ C 13 157.079 0.150 . 1 . . . . 256 Tyr CZ . 17499 1 561 . 1 1 188 188 TYR N N 15 118.873 0.048 . 1 . . . . 256 Tyr N . 17499 1 562 . 1 1 189 189 GLY C C 13 176.675 0.065 . 1 . . . . 257 Gly C . 17499 1 563 . 1 1 189 189 GLY CA C 13 47.439 0.056 . 1 . . . . 257 Gly CA . 17499 1 564 . 1 1 189 189 GLY N N 15 107.687 0.180 . 1 . . . . 257 Gly N . 17499 1 565 . 1 1 190 190 VAL C C 13 178.392 0.150 . 1 . . . . 258 Val C . 17499 1 566 . 1 1 190 190 VAL CA C 13 66.560 0.085 . 1 . . . . 258 Val CA . 17499 1 567 . 1 1 190 190 VAL CB C 13 31.672 0.144 . 1 . . . . 258 Val CB . 17499 1 568 . 1 1 190 190 VAL CG1 C 13 21.003 0.081 . 2 . . . . 258 Val CG1 . 17499 1 569 . 1 1 190 190 VAL CG2 C 13 22.283 0.121 . 2 . . . . 258 Val CG2 . 17499 1 570 . 1 1 190 190 VAL N N 15 124.239 0.329 . 1 . . . . 258 Val N . 17499 1 571 . 1 1 191 191 VAL CA C 13 66.736 0.069 . 1 . . . . 259 Val CA . 17499 1 572 . 1 1 191 191 VAL CB C 13 31.778 0.060 . 1 . . . . 259 Val CB . 17499 1 573 . 1 1 191 191 VAL CG2 C 13 22.591 0.168 . 1 . . . . 259 Val CG2 . 17499 1 574 . 1 1 191 191 VAL N N 15 120.383 0.041 . 1 . . . . 259 Val N . 17499 1 575 . 1 1 192 192 GLU CA C 13 59.674 0.074 . 1 . . . . 260 Glu CA . 17499 1 576 . 1 1 192 192 GLU CB C 13 30.087 0.100 . 1 . . . . 260 Glu CB . 17499 1 577 . 1 1 192 192 GLU CG C 13 37.712 0.112 . 1 . . . . 260 Glu CG . 17499 1 578 . 1 1 192 192 GLU CD C 13 182.546 0.150 . 1 . . . . 260 Glu CD . 17499 1 579 . 1 1 192 192 GLU N N 15 120.462 0.112 . 1 . . . . 260 Glu N . 17499 1 580 . 1 1 193 193 MET CA C 13 58.382 0.094 . 1 . . . . 261 Met CA . 17499 1 581 . 1 1 193 193 MET CB C 13 32.366 0.031 . 1 . . . . 261 Met CB . 17499 1 582 . 1 1 193 193 MET N N 15 116.236 0.100 . 1 . . . . 261 Met N . 17499 1 583 . 1 1 194 194 ALA CA C 13 55.294 0.141 . 1 . . . . 262 Ala CA . 17499 1 584 . 1 1 194 194 ALA CB C 13 18.561 0.018 . 1 . . . . 262 Ala CB . 17499 1 585 . 1 1 194 194 ALA N N 15 123.279 0.056 . 1 . . . . 262 Ala N . 17499 1 586 . 1 1 195 195 LEU CA C 13 57.905 0.085 . 1 . . . . 263 Leu CA . 17499 1 587 . 1 1 195 195 LEU CB C 13 41.678 0.112 . 1 . . . . 263 Leu CB . 17499 1 588 . 1 1 195 195 LEU CG C 13 25.740 0.153 . 1 . . . . 263 Leu CG . 17499 1 589 . 1 1 195 195 LEU CD2 C 13 19.813 0.103 . 1 . . . . 263 Leu CD2 . 17499 1 590 . 1 1 195 195 LEU N N 15 120.686 0.074 . 1 . . . . 263 Leu N . 17499 1 591 . 1 1 196 196 ALA C C 13 179.119 0.150 . 1 . . . . 264 Ala C . 17499 1 592 . 1 1 196 196 ALA CA C 13 55.558 0.049 . 1 . . . . 264 Ala CA . 17499 1 593 . 1 1 196 196 ALA CB C 13 18.155 0.037 . 1 . . . . 264 Ala CB . 17499 1 594 . 1 1 196 196 ALA N N 15 121.278 0.101 . 1 . . . . 264 Ala N . 17499 1 595 . 1 1 197 197 GLU CA C 13 59.449 0.103 . 1 . . . . 265 Glu CA . 17499 1 596 . 1 1 197 197 GLU CB C 13 29.313 0.106 . 1 . . . . 265 Glu CB . 17499 1 597 . 1 1 197 197 GLU CG C 13 36.262 0.153 . 1 . . . . 265 Glu CG . 17499 1 598 . 1 1 197 197 GLU CD C 13 183.978 0.076 . 1 . . . . 265 Glu CD . 17499 1 599 . 1 1 197 197 GLU N N 15 119.238 0.095 . 1 . . . . 265 Glu N . 17499 1 600 . 1 1 198 198 ARG CA C 13 58.368 0.027 . 1 . . . . 266 Arg CA . 17499 1 601 . 1 1 198 198 ARG CB C 13 28.821 0.113 . 1 . . . . 266 Arg CB . 17499 1 602 . 1 1 198 198 ARG CD C 13 42.658 0.150 . 1 . . . . 266 Arg CD . 17499 1 603 . 1 1 198 198 ARG CG C 13 26.590 0.036 . 1 . . . . 266 Arg CG . 17499 1 604 . 1 1 198 198 ARG N N 15 120.520 0.177 . 1 . . . . 266 Arg N . 17499 1 605 . 1 1 199 199 ARG C C 13 179.296 0.150 . 1 . . . . 267 Arg C . 17499 1 606 . 1 1 199 199 ARG CA C 13 58.246 0.110 . 1 . . . . 267 Arg CA . 17499 1 607 . 1 1 199 199 ARG CB C 13 28.640 0.070 . 1 . . . . 267 Arg CB . 17499 1 608 . 1 1 199 199 ARG CD C 13 42.078 0.150 . 1 . . . . 267 Arg CD . 17499 1 609 . 1 1 199 199 ARG CG C 13 26.041 0.092 . 1 . . . . 267 Arg CG . 17499 1 610 . 1 1 199 199 ARG N N 15 121.170 0.379 . 1 . . . . 267 Arg N . 17499 1 611 . 1 1 200 200 GLU CA C 13 59.774 0.074 . 1 . . . . 268 Glu CA . 17499 1 612 . 1 1 200 200 GLU CB C 13 29.229 0.114 . 1 . . . . 268 Glu CB . 17499 1 613 . 1 1 200 200 GLU CG C 13 36.598 0.004 . 1 . . . . 268 Glu CG . 17499 1 614 . 1 1 200 200 GLU CD C 13 183.550 0.053 . 1 . . . . 268 Glu CD . 17499 1 615 . 1 1 200 200 GLU N N 15 118.935 0.016 . 1 . . . . 268 Glu N . 17499 1 616 . 1 1 201 201 ALA CA C 13 54.914 0.093 . 1 . . . . 269 Ala CA . 17499 1 617 . 1 1 201 201 ALA CB C 13 18.213 0.037 . 1 . . . . 269 Ala CB . 17499 1 618 . 1 1 201 201 ALA N N 15 118.427 0.114 . 1 . . . . 269 Ala N . 17499 1 619 . 1 1 202 202 LEU C C 13 178.780 0.039 . 1 . . . . 270 Leu C . 17499 1 620 . 1 1 202 202 LEU CA C 13 58.515 0.090 . 1 . . . . 270 Leu CA . 17499 1 621 . 1 1 202 202 LEU CB C 13 42.435 0.129 . 1 . . . . 270 Leu CB . 17499 1 622 . 1 1 202 202 LEU CG C 13 26.823 0.047 . 1 . . . . 270 Leu CG . 17499 1 623 . 1 1 202 202 LEU CD2 C 13 25.876 0.042 . 1 . . . . 270 Leu CD2 . 17499 1 624 . 1 1 202 202 LEU N N 15 120.662 0.026 . 1 . . . . 270 Leu N . 17499 1 625 . 1 1 203 203 VAL CA C 13 67.382 0.117 . 1 . . . . 271 Val CA . 17499 1 626 . 1 1 203 203 VAL CB C 13 31.693 0.052 . 1 . . . . 271 Val CB . 17499 1 627 . 1 1 203 203 VAL CG2 C 13 22.608 0.074 . 1 . . . . 271 Val CG2 . 17499 1 628 . 1 1 203 203 VAL N N 15 119.194 0.036 . 1 . . . . 271 Val N . 17499 1 629 . 1 1 207 207 ASP C C 13 175.572 0.150 . 1 . . . . 275 Asp C . 17499 1 630 . 1 1 207 207 ASP CA C 13 50.733 0.022 . 1 . . . . 275 Asp CA . 17499 1 631 . 1 1 207 207 ASP CB C 13 38.499 0.049 . 1 . . . . 275 Asp CB . 17499 1 632 . 1 1 207 207 ASP CG C 13 176.823 0.150 . 1 . . . . 275 Asp CG . 17499 1 633 . 1 1 207 207 ASP N N 15 129.630 0.150 . 1 . . . . 275 Asp N . 17499 1 634 . 1 1 208 208 THR C C 13 174.977 0.200 . 1 . . . . 276 Thr C . 17499 1 635 . 1 1 208 208 THR CA C 13 63.172 0.070 . 1 . . . . 276 Thr CA . 17499 1 636 . 1 1 208 208 THR CB C 13 68.960 0.044 . 1 . . . . 276 Thr CB . 17499 1 637 . 1 1 208 208 THR CG2 C 13 22.066 0.150 . 1 . . . . 276 Thr CG2 . 17499 1 638 . 1 1 208 208 THR N N 15 111.980 0.036 . 1 . . . . 276 Thr N . 17499 1 639 . 1 1 209 209 GLU CA C 13 55.168 0.106 . 1 . . . . 277 Glu CA . 17499 1 640 . 1 1 209 209 GLU CD C 13 182.282 0.016 . 1 . . . . 277 Glu CD . 17499 1 641 . 1 1 209 209 GLU N N 15 117.031 0.165 . 1 . . . . 277 Glu N . 17499 1 642 . 1 1 215 215 SER C C 13 171.914 0.052 . 1 . . . . 283 Ser C . 17499 1 643 . 1 1 215 215 SER CA C 13 57.067 0.140 . 1 . . . . 283 Ser CA . 17499 1 644 . 1 1 215 215 SER CB C 13 63.947 0.137 . 1 . . . . 283 Ser CB . 17499 1 645 . 1 1 215 215 SER N N 15 110.893 0.150 . 1 . . . . 283 Ser N . 17499 1 646 . 1 1 216 216 ALA C C 13 178.347 0.070 . 1 . . . . 284 Ala C . 17499 1 647 . 1 1 216 216 ALA CA C 13 52.792 0.153 . 1 . . . . 284 Ala CA . 17499 1 648 . 1 1 216 216 ALA CB C 13 19.528 0.035 . 1 . . . . 284 Ala CB . 17499 1 649 . 1 1 216 216 ALA N N 15 121.066 0.150 . 1 . . . . 284 Ala N . 17499 1 650 . 1 1 217 217 GLY C C 13 177.951 0.052 . 1 . . . . 285 Gly C . 17499 1 651 . 1 1 217 217 GLY CA C 13 45.635 0.058 . 1 . . . . 285 Gly CA . 17499 1 652 . 1 1 217 217 GLY N N 15 105.701 0.078 . 1 . . . . 285 Gly N . 17499 1 653 . 1 1 218 218 THR C C 13 177.850 0.013 . 1 . . . . 286 Thr C . 17499 1 654 . 1 1 218 218 THR CA C 13 65.204 0.159 . 1 . . . . 286 Thr CA . 17499 1 655 . 1 1 218 218 THR CB C 13 68.575 0.064 . 1 . . . . 286 Thr CB . 17499 1 656 . 1 1 218 218 THR N N 15 112.422 0.241 . 1 . . . . 286 Thr N . 17499 1 657 . 1 1 219 219 THR C C 13 171.810 0.043 . 1 . . . . 287 Thr C . 17499 1 658 . 1 1 219 219 THR CA C 13 59.565 0.077 . 1 . . . . 287 Thr CA . 17499 1 659 . 1 1 219 219 THR CB C 13 72.840 0.021 . 1 . . . . 287 Thr CB . 17499 1 660 . 1 1 219 219 THR CG2 C 13 21.824 0.150 . 1 . . . . 287 Thr CG2 . 17499 1 661 . 1 1 219 219 THR N N 15 117.125 0.184 . 1 . . . . 287 Thr N . 17499 1 662 . 1 1 220 220 PRO C C 13 177.186 0.043 . 1 . . . . 288 Pro C . 17499 1 663 . 1 1 220 220 PRO CA C 13 62.456 0.091 . 1 . . . . 288 Pro CA . 17499 1 664 . 1 1 220 220 PRO CB C 13 32.113 0.048 . 1 . . . . 288 Pro CB . 17499 1 665 . 1 1 220 220 PRO CG C 13 27.307 0.109 . 1 . . . . 288 Pro CG . 17499 1 666 . 1 1 220 220 PRO CD C 13 51.536 0.053 . 1 . . . . 288 Pro CD . 17499 1 667 . 1 1 220 220 PRO N N 15 140.685 0.201 . 1 . . . . 288 Pro N . 17499 1 668 . 1 1 221 221 MET C C 13 177.925 0.122 . 1 . . . . 289 Met C . 17499 1 669 . 1 1 221 221 MET CB C 13 32.528 0.176 . 1 . . . . 289 Met CB . 17499 1 670 . 1 1 221 221 MET CG C 13 30.249 0.171 . 1 . . . . 289 Met CG . 17499 1 671 . 1 1 221 221 MET CA C 13 56.474 0.100 . 1 . . . . 289 Met CA . 17499 1 672 . 1 1 221 221 MET N N 15 113.668 0.150 . 1 . . . . 289 Met N . 17499 1 673 . 1 1 222 222 SER CA C 13 61.251 0.143 . 1 . . . . 290 Ser CA . 17499 1 674 . 1 1 222 222 SER CB C 13 62.975 0.150 . 1 . . . . 290 Ser CB . 17499 1 675 . 1 1 222 222 SER N N 15 116.596 0.286 . 1 . . . . 290 Ser N . 17499 1 676 . 1 1 223 223 GLN CA C 13 59.705 0.064 . 1 . . . . 291 Gln CA . 17499 1 677 . 1 1 223 223 GLN CB C 13 26.899 0.043 . 1 . . . . 291 Gln CB . 17499 1 678 . 1 1 223 223 GLN CG C 13 32.693 0.150 . 1 . . . . 291 Gln CG . 17499 1 679 . 1 1 223 223 GLN N N 15 117.929 0.150 . 1 . . . . 291 Gln N . 17499 1 680 . 1 1 224 224 SER C C 13 175.999 0.112 . 1 . . . . 292 Ser C . 17499 1 681 . 1 1 224 224 SER CA C 13 61.757 0.070 . 1 . . . . 292 Ser CA . 17499 1 682 . 1 1 224 224 SER CB C 13 62.939 0.121 . 1 . . . . 292 Ser CB . 17499 1 683 . 1 1 224 224 SER N N 15 113.445 0.141 . 1 . . . . 292 Ser N . 17499 1 684 . 1 1 225 225 ARG CA C 13 57.777 0.088 . 1 . . . . 293 Arg CA . 17499 1 685 . 1 1 225 225 ARG CB C 13 30.637 0.106 . 1 . . . . 293 Arg CB . 17499 1 686 . 1 1 225 225 ARG CD C 13 43.300 0.150 . 1 . . . . 293 Arg CD . 17499 1 687 . 1 1 225 225 ARG N N 15 119.501 0.137 . 1 . . . . 293 Arg N . 17499 1 688 . 1 1 230 230 PRO C C 13 178.757 0.101 . 1 . . . . 298 Pro C . 17499 1 689 . 1 1 230 230 PRO CA C 13 65.098 0.130 . 1 . . . . 298 Pro CA . 17499 1 690 . 1 1 230 230 PRO CB C 13 30.137 0.049 . 1 . . . . 298 Pro CB . 17499 1 691 . 1 1 230 230 PRO CG C 13 26.919 0.089 . 1 . . . . 298 Pro CG . 17499 1 692 . 1 1 230 230 PRO CD C 13 50.932 0.098 . 1 . . . . 298 Pro CD . 17499 1 693 . 1 1 230 230 PRO N N 15 141.568 0.150 . 1 . . . . 298 Pro N . 17499 1 694 . 1 1 231 231 VAL CA C 13 59.767 0.080 . 1 . . . . 299 Val CA . 17499 1 695 . 1 1 231 231 VAL CB C 13 33.604 0.107 . 1 . . . . 299 Val CB . 17499 1 696 . 1 1 231 231 VAL CG2 C 13 24.267 0.150 . 1 . . . . 299 Val CG2 . 17499 1 697 . 1 1 231 231 VAL N N 15 117.038 0.048 . 1 . . . . 299 Val N . 17499 1 698 . 1 1 232 232 TRP CA C 13 53.373 0.061 . 1 . . . . 300 Trp CA . 17499 1 699 . 1 1 232 232 TRP CB C 13 34.999 0.116 . 1 . . . . 300 Trp CB . 17499 1 700 . 1 1 232 232 TRP CG C 13 112.459 0.150 . 1 . . . . 300 Trp CG . 17499 1 701 . 1 1 232 232 TRP CE2 C 13 139.085 0.150 . 1 . . . . 300 Trp CE2 . 17499 1 702 . 1 1 232 232 TRP N N 15 121.952 0.133 . 1 . . . . 300 Trp N . 17499 1 703 . 1 1 233 233 LEU CA C 13 59.193 0.079 . 1 . . . . 301 Leu CA . 17499 1 704 . 1 1 233 233 LEU CB C 13 42.337 0.117 . 1 . . . . 301 Leu CB . 17499 1 705 . 1 1 233 233 LEU CG C 13 25.957 0.111 . 1 . . . . 301 Leu CG . 17499 1 706 . 1 1 233 233 LEU CD2 C 13 19.654 0.082 . 1 . . . . 301 Leu CD2 . 17499 1 707 . 1 1 233 233 LEU N N 15 123.036 0.203 . 1 . . . . 301 Leu N . 17499 1 708 . 1 1 234 234 VAL CA C 13 61.964 0.063 . 1 . . . . 302 Val CA . 17499 1 709 . 1 1 234 234 VAL CB C 13 34.840 0.129 . 1 . . . . 302 Val CB . 17499 1 710 . 1 1 234 234 VAL CG2 C 13 21.179 0.086 . 1 . . . . 302 Val CG2 . 17499 1 711 . 1 1 234 234 VAL N N 15 120.293 0.243 . 1 . . . . 302 Val N . 17499 1 712 . 1 1 235 235 GLY C C 13 173.912 0.101 . 1 . . . . 303 Gly C . 17499 1 713 . 1 1 235 235 GLY CA C 13 46.444 0.107 . 1 . . . . 303 Gly CA . 17499 1 714 . 1 1 235 235 GLY N N 15 112.402 0.170 . 1 . . . . 303 Gly N . 17499 1 715 . 1 1 237 237 LYS C C 13 175.079 0.028 . 1 . . . . 305 Lys C . 17499 1 716 . 1 1 237 237 LYS CA C 13 54.621 0.132 . 1 . . . . 305 Lys CA . 17499 1 717 . 1 1 237 237 LYS CB C 13 36.399 0.135 . 1 . . . . 305 Lys CB . 17499 1 718 . 1 1 237 237 LYS CG C 13 23.542 0.014 . 1 . . . . 305 Lys CG . 17499 1 719 . 1 1 237 237 LYS CD C 13 29.547 0.187 . 1 . . . . 305 Lys CD . 17499 1 720 . 1 1 237 237 LYS N N 15 116.444 0.062 . 1 . . . . 305 Lys N . 17499 1 721 . 1 1 238 238 LEU CA C 13 55.250 0.065 . 1 . . . . 306 Leu CA . 17499 1 722 . 1 1 238 238 LEU CB C 13 40.629 0.068 . 1 . . . . 306 Leu CB . 17499 1 723 . 1 1 238 238 LEU CD2 C 13 25.873 0.150 . 1 . . . . 306 Leu CD2 . 17499 1 724 . 1 1 238 238 LEU N N 15 115.582 0.193 . 1 . . . . 306 Leu N . 17499 1 725 . 1 1 239 239 THR C C 13 176.761 0.150 . 1 . . . . 307 Thr C . 17499 1 726 . 1 1 239 239 THR CA C 13 60.381 0.089 . 1 . . . . 307 Thr CA . 17499 1 727 . 1 1 239 239 THR CB C 13 76.410 0.078 . 1 . . . . 307 Thr CB . 17499 1 728 . 1 1 239 239 THR CG2 C 13 21.464 0.106 . 1 . . . . 307 Thr CG2 . 17499 1 729 . 1 1 239 239 THR N N 15 115.498 0.239 . 1 . . . . 307 Thr N . 17499 1 730 . 1 1 240 240 ILE C C 13 175.854 0.150 . 1 . . . . 308 Ile C . 17499 1 731 . 1 1 240 240 ILE CA C 13 65.933 0.099 . 1 . . . . 308 Ile CA . 17499 1 732 . 1 1 240 240 ILE CB C 13 38.817 0.109 . 1 . . . . 308 Ile CB . 17499 1 733 . 1 1 240 240 ILE CG1 C 13 25.133 0.123 . 1 . . . . 308 Ile CG1 . 17499 1 734 . 1 1 240 240 ILE CG2 C 13 21.599 0.067 . 1 . . . . 308 Ile CG2 . 17499 1 735 . 1 1 240 240 ILE CD1 C 13 15.414 0.037 . 1 . . . . 308 Ile CD1 . 17499 1 736 . 1 1 240 240 ILE N N 15 110.630 0.128 . 1 . . . . 308 Ile N . 17499 1 737 . 1 1 241 241 ALA C C 13 176.732 0.082 . 1 . . . . 309 Ala C . 17499 1 738 . 1 1 241 241 ALA CA C 13 55.482 0.078 . 1 . . . . 309 Ala CA . 17499 1 739 . 1 1 241 241 ALA CB C 13 19.208 0.109 . 1 . . . . 309 Ala CB . 17499 1 740 . 1 1 241 241 ALA N N 15 120.014 0.100 . 1 . . . . 309 Ala N . 17499 1 741 . 1 1 242 242 ASP C C 13 178.519 0.078 . 1 . . . . 310 Asp C . 17499 1 742 . 1 1 242 242 ASP CA C 13 57.139 0.080 . 1 . . . . 310 Asp CA . 17499 1 743 . 1 1 242 242 ASP CB C 13 43.855 0.115 . 1 . . . . 310 Asp CB . 17499 1 744 . 1 1 242 242 ASP CG C 13 179.728 0.039 . 1 . . . . 310 Asp CG . 17499 1 745 . 1 1 242 242 ASP N N 15 112.043 0.072 . 1 . . . . 310 Asp N . 17499 1 746 . 1 1 243 243 LEU CA C 13 56.833 0.096 . 1 . . . . 311 Leu CA . 17499 1 747 . 1 1 243 243 LEU CB C 13 42.304 0.108 . 1 . . . . 311 Leu CB . 17499 1 748 . 1 1 243 243 LEU CG C 13 26.178 0.097 . 1 . . . . 311 Leu CG . 17499 1 749 . 1 1 243 243 LEU CD2 C 13 21.741 0.105 . 1 . . . . 311 Leu CD2 . 17499 1 750 . 1 1 243 243 LEU N N 15 113.006 0.131 . 1 . . . . 311 Leu N . 17499 1 751 . 1 1 244 244 ALA CA C 13 54.727 0.054 . 1 . . . . 312 Ala CA . 17499 1 752 . 1 1 244 244 ALA CB C 13 17.911 0.038 . 1 . . . . 312 Ala CB . 17499 1 753 . 1 1 244 244 ALA N N 15 116.838 0.177 . 1 . . . . 312 Ala N . 17499 1 754 . 1 1 245 245 PHE CA C 13 60.662 0.089 . 1 . . . . 313 Phe CA . 17499 1 755 . 1 1 245 245 PHE CB C 13 40.512 0.091 . 1 . . . . 313 Phe CB . 17499 1 756 . 1 1 245 245 PHE CG C 13 141.651 0.150 . 1 . . . . 313 Phe CG . 17499 1 757 . 1 1 245 245 PHE CD2 C 13 135.953 0.150 . 3 . . . . 313 Phe CD2 . 17499 1 758 . 1 1 245 245 PHE CE1 C 13 130.133 0.150 . 3 . . . . 313 Phe CE1 . 17499 1 759 . 1 1 245 245 PHE CE2 C 13 132.522 0.150 . 3 . . . . 313 Phe CE2 . 17499 1 760 . 1 1 245 245 PHE CZ C 13 128.723 0.150 . 1 . . . . 313 Phe CZ . 17499 1 761 . 1 1 245 245 PHE N N 15 106.344 0.089 . 1 . . . . 313 Phe N . 17499 1 762 . 1 1 246 246 VAL CA C 13 69.141 0.076 . 1 . . . . 314 Val CA . 17499 1 763 . 1 1 246 246 VAL CB C 13 30.439 0.108 . 1 . . . . 314 Val CB . 17499 1 764 . 1 1 246 246 VAL CG2 C 13 26.211 0.150 . 1 . . . . 314 Val CG2 . 17499 1 765 . 1 1 246 246 VAL N N 15 118.247 0.314 . 1 . . . . 314 Val N . 17499 1 766 . 1 1 247 247 PRO C C 13 178.488 0.150 . 1 . . . . 315 Pro C . 17499 1 767 . 1 1 247 247 PRO CA C 13 65.065 0.125 . 1 . . . . 315 Pro CA . 17499 1 768 . 1 1 247 247 PRO CB C 13 32.103 0.106 . 1 . . . . 315 Pro CB . 17499 1 769 . 1 1 247 247 PRO CG C 13 28.954 0.052 . 1 . . . . 315 Pro CG . 17499 1 770 . 1 1 247 247 PRO CD C 13 49.168 0.084 . 1 . . . . 315 Pro CD . 17499 1 771 . 1 1 247 247 PRO N N 15 132.102 0.195 . 1 . . . . 315 Pro N . 17499 1 772 . 1 1 248 248 TRP CA C 13 58.873 0.075 . 1 . . . . 316 Trp CA . 17499 1 773 . 1 1 248 248 TRP CB C 13 30.791 0.195 . 1 . . . . 316 Trp CB . 17499 1 774 . 1 1 248 248 TRP CG C 13 112.467 0.150 . 1 . . . . 316 Trp CG . 17499 1 775 . 1 1 248 248 TRP N N 15 115.503 0.150 . 1 . . . . 316 Trp N . 17499 1 776 . 1 1 251 251 VAL CA C 13 61.555 0.109 . 1 . . . . 319 Val CA . 17499 1 777 . 1 1 251 251 VAL CB C 13 33.407 0.111 . 1 . . . . 319 Val CB . 17499 1 778 . 1 1 251 251 VAL CG1 C 13 20.286 0.030 . 2 . . . . 319 Val CG1 . 17499 1 779 . 1 1 251 251 VAL CG2 C 13 20.909 0.074 . 2 . . . . 319 Val CG2 . 17499 1 780 . 1 1 251 251 VAL N N 15 111.027 0.150 . 1 . . . . 319 Val N . 17499 1 781 . 1 1 252 252 VAL CA C 13 65.693 0.118 . 1 . . . . 320 Val CA . 17499 1 782 . 1 1 252 252 VAL CB C 13 31.512 0.120 . 1 . . . . 320 Val CB . 17499 1 783 . 1 1 252 252 VAL CG1 C 13 18.907 0.074 . 2 . . . . 320 Val CG1 . 17499 1 784 . 1 1 252 252 VAL CG2 C 13 22.885 0.170 . 2 . . . . 320 Val CG2 . 17499 1 785 . 1 1 252 252 VAL N N 15 112.078 0.065 . 1 . . . . 320 Val N . 17499 1 786 . 1 1 253 253 ASP C C 13 178.318 0.150 . 1 . . . . 321 Asp C . 17499 1 787 . 1 1 253 253 ASP CA C 13 56.630 0.097 . 1 . . . . 321 Asp CA . 17499 1 788 . 1 1 253 253 ASP CB C 13 38.370 0.150 . 1 . . . . 321 Asp CB . 17499 1 789 . 1 1 253 253 ASP CG C 13 180.047 0.150 . 1 . . . . 321 Asp CG . 17499 1 790 . 1 1 253 253 ASP N N 15 123.369 0.280 . 1 . . . . 321 Asp N . 17499 1 791 . 1 1 254 254 ARG CA C 13 57.787 0.162 . 1 . . . . 322 Arg CA . 17499 1 792 . 1 1 254 254 ARG CB C 13 30.711 0.152 . 1 . . . . 322 Arg CB . 17499 1 793 . 1 1 254 254 ARG CG C 13 27.339 0.164 . 1 . . . . 322 Arg CG . 17499 1 794 . 1 1 254 254 ARG CD C 13 43.373 0.170 . 1 . . . . 322 Arg CD . 17499 1 795 . 1 1 254 254 ARG N N 15 119.651 0.159 . 1 . . . . 322 Arg N . 17499 1 796 . 1 1 255 255 ILE CA C 13 60.170 0.117 . 1 . . . . 323 Ile CA . 17499 1 797 . 1 1 255 255 ILE CB C 13 37.285 0.100 . 1 . . . . 323 Ile CB . 17499 1 798 . 1 1 255 255 ILE CG1 C 13 27.343 0.057 . 1 . . . . 323 Ile CG1 . 17499 1 799 . 1 1 255 255 ILE CG2 C 13 18.127 0.094 . 1 . . . . 323 Ile CG2 . 17499 1 800 . 1 1 255 255 ILE CD1 C 13 15.704 0.080 . 1 . . . . 323 Ile CD1 . 17499 1 801 . 1 1 255 255 ILE N N 15 109.386 0.125 . 1 . . . . 323 Ile N . 17499 1 802 . 1 1 256 256 GLY C C 13 173.729 0.014 . 1 . . . . 324 Gly C . 17499 1 803 . 1 1 256 256 GLY CA C 13 46.190 0.175 . 1 . . . . 324 Gly CA . 17499 1 804 . 1 1 256 256 GLY N N 15 108.507 0.229 . 1 . . . . 324 Gly N . 17499 1 805 . 1 1 257 257 ILE CA C 13 60.559 0.110 . 1 . . . . 325 Ile CA . 17499 1 806 . 1 1 257 257 ILE CB C 13 38.584 0.086 . 1 . . . . 325 Ile CB . 17499 1 807 . 1 1 257 257 ILE CG1 C 13 27.582 0.085 . 1 . . . . 325 Ile CG1 . 17499 1 808 . 1 1 257 257 ILE CG2 C 13 16.800 0.030 . 1 . . . . 325 Ile CG2 . 17499 1 809 . 1 1 257 257 ILE CD1 C 13 15.144 0.041 . 1 . . . . 325 Ile CD1 . 17499 1 810 . 1 1 257 257 ILE N N 15 119.546 0.141 . 1 . . . . 325 Ile N . 17499 1 811 . 1 1 258 258 ASN C C 13 175.032 0.150 . 1 . . . . 326 Asn C . 17499 1 812 . 1 1 258 258 ASN CA C 13 50.668 0.096 . 1 . . . . 326 Asn CA . 17499 1 813 . 1 1 258 258 ASN CB C 13 38.400 0.068 . 1 . . . . 326 Asn CB . 17499 1 814 . 1 1 258 258 ASN CG C 13 176.774 0.150 . 1 . . . . 326 Asn CG . 17499 1 815 . 1 1 258 258 ASN N N 15 128.844 0.107 . 1 . . . . 326 Asn N . 17499 1 816 . 1 1 259 259 ILE C C 13 178.621 0.150 . 1 . . . . 327 Ile C . 17499 1 817 . 1 1 259 259 ILE CA C 13 66.684 0.146 . 1 . . . . 327 Ile CA . 17499 1 818 . 1 1 259 259 ILE CB C 13 37.805 0.059 . 1 . . . . 327 Ile CB . 17499 1 819 . 1 1 259 259 ILE CG1 C 13 28.804 0.031 . 1 . . . . 327 Ile CG1 . 17499 1 820 . 1 1 259 259 ILE CG2 C 13 18.279 0.004 . 1 . . . . 327 Ile CG2 . 17499 1 821 . 1 1 259 259 ILE CD1 C 13 13.490 0.030 . 1 . . . . 327 Ile CD1 . 17499 1 822 . 1 1 259 259 ILE N N 15 122.776 0.180 . 1 . . . . 327 Ile N . 17499 1 823 . 1 1 260 260 LYS C C 13 176.647 0.150 . 1 . . . . 328 Lys C . 17499 1 824 . 1 1 260 260 LYS CA C 13 59.802 0.118 . 1 . . . . 328 Lys CA . 17499 1 825 . 1 1 260 260 LYS CB C 13 32.689 0.195 . 1 . . . . 328 Lys CB . 17499 1 826 . 1 1 260 260 LYS CG C 13 24.601 0.144 . 1 . . . . 328 Lys CG . 17499 1 827 . 1 1 260 260 LYS CD C 13 29.309 0.116 . 1 . . . . 328 Lys CD . 17499 1 828 . 1 1 260 260 LYS CE C 13 42.068 0.007 . 1 . . . . 328 Lys CE . 17499 1 829 . 1 1 260 260 LYS N N 15 117.385 0.100 . 1 . . . . 328 Lys N . 17499 1 830 . 1 1 261 261 ILE CA C 13 60.985 0.188 . 1 . . . . 329 Ile CA . 17499 1 831 . 1 1 261 261 ILE CB C 13 38.799 0.081 . 1 . . . . 329 Ile CB . 17499 1 832 . 1 1 261 261 ILE CG1 C 13 27.687 0.070 . 1 . . . . 329 Ile CG1 . 17499 1 833 . 1 1 261 261 ILE CG2 C 13 17.004 0.084 . 1 . . . . 329 Ile CG2 . 17499 1 834 . 1 1 261 261 ILE CD1 C 13 15.211 0.150 . 1 . . . . 329 Ile CD1 . 17499 1 835 . 1 1 261 261 ILE N N 15 111.172 0.039 . 1 . . . . 329 Ile N . 17499 1 836 . 1 1 262 262 GLU C C 13 176.677 0.150 . 1 . . . . 330 Glu C . 17499 1 837 . 1 1 262 262 GLU CA C 13 59.496 0.094 . 1 . . . . 330 Glu CA . 17499 1 838 . 1 1 262 262 GLU CB C 13 33.522 0.107 . 1 . . . . 330 Glu CB . 17499 1 839 . 1 1 262 262 GLU CG C 13 38.416 0.082 . 1 . . . . 330 Glu CG . 17499 1 840 . 1 1 262 262 GLU CD C 13 184.042 0.022 . 1 . . . . 330 Glu CD . 17499 1 841 . 1 1 262 262 GLU N N 15 117.422 0.087 . 1 . . . . 330 Glu N . 17499 1 842 . 1 1 263 263 PHE C C 13 173.587 0.150 . 1 . . . . 331 Phe C . 17499 1 843 . 1 1 263 263 PHE CA C 13 55.253 0.164 . 1 . . . . 331 Phe CA . 17499 1 844 . 1 1 263 263 PHE CB C 13 40.477 0.097 . 1 . . . . 331 Phe CB . 17499 1 845 . 1 1 263 263 PHE CG C 13 139.945 0.150 . 1 . . . . 331 Phe CG . 17499 1 846 . 1 1 263 263 PHE CE2 C 13 132.739 0.080 . 3 . . . . 331 Phe CE2 . 17499 1 847 . 1 1 263 263 PHE CZ C 13 129.915 0.150 . 1 . . . . 331 Phe CZ . 17499 1 848 . 1 1 263 263 PHE N N 15 115.507 0.230 . 1 . . . . 331 Phe N . 17499 1 849 . 1 1 264 264 PRO C C 13 181.019 0.150 . 1 . . . . 332 Pro C . 17499 1 850 . 1 1 264 264 PRO CA C 13 65.866 0.087 . 1 . . . . 332 Pro CA . 17499 1 851 . 1 1 264 264 PRO CB C 13 32.682 0.097 . 1 . . . . 332 Pro CB . 17499 1 852 . 1 1 264 264 PRO CG C 13 27.545 0.088 . 1 . . . . 332 Pro CG . 17499 1 853 . 1 1 264 264 PRO CD C 13 49.770 0.117 . 1 . . . . 332 Pro CD . 17499 1 854 . 1 1 264 264 PRO N N 15 135.634 0.153 . 1 . . . . 332 Pro N . 17499 1 855 . 1 1 265 265 GLU C C 13 181.019 0.150 . 1 . . . . 333 Glu C . 17499 1 856 . 1 1 265 265 GLU CA C 13 59.482 0.075 . 1 . . . . 333 Glu CA . 17499 1 857 . 1 1 265 265 GLU CB C 13 27.671 0.054 . 1 . . . . 333 Glu CB . 17499 1 858 . 1 1 265 265 GLU CG C 13 35.796 0.080 . 1 . . . . 333 Glu CG . 17499 1 859 . 1 1 265 265 GLU CD C 13 183.323 0.100 . 1 . . . . 333 Glu CD . 17499 1 860 . 1 1 265 265 GLU N N 15 124.223 0.149 . 1 . . . . 333 Glu N . 17499 1 861 . 1 1 266 266 VAL C C 13 180.197 0.150 . 1 . . . . 334 Val C . 17499 1 862 . 1 1 266 266 VAL CA C 13 65.852 0.138 . 1 . . . . 334 Val CA . 17499 1 863 . 1 1 266 266 VAL CB C 13 30.523 0.074 . 1 . . . . 334 Val CB . 17499 1 864 . 1 1 266 266 VAL CG1 C 13 22.832 0.084 . 2 . . . . 334 Val CG1 . 17499 1 865 . 1 1 266 266 VAL CG2 C 13 21.629 0.094 . 2 . . . . 334 Val CG2 . 17499 1 866 . 1 1 266 266 VAL N N 15 128.296 0.091 . 1 . . . . 334 Val N . 17499 1 867 . 1 1 267 267 TYR C C 13 176.490 0.020 . 1 . . . . 335 Tyr C . 17499 1 868 . 1 1 267 267 TYR CA C 13 62.443 0.092 . 1 . . . . 335 Tyr CA . 17499 1 869 . 1 1 267 267 TYR CB C 13 37.910 0.068 . 1 . . . . 335 Tyr CB . 17499 1 870 . 1 1 267 267 TYR CG C 13 129.274 0.054 . 1 . . . . 335 Tyr CG . 17499 1 871 . 1 1 267 267 TYR CD1 C 13 132.682 0.150 . 3 . . . . 335 Tyr CD1 . 17499 1 872 . 1 1 267 267 TYR CD2 C 13 133.074 0.027 . 3 . . . . 335 Tyr CD2 . 17499 1 873 . 1 1 267 267 TYR CE1 C 13 118.307 0.150 . 3 . . . . 335 Tyr CE1 . 17499 1 874 . 1 1 267 267 TYR CE2 C 13 118.616 0.088 . 3 . . . . 335 Tyr CE2 . 17499 1 875 . 1 1 267 267 TYR CZ C 13 157.660 0.055 . 1 . . . . 335 Tyr CZ . 17499 1 876 . 1 1 267 267 TYR N N 15 123.760 0.084 . 1 . . . . 335 Tyr N . 17499 1 877 . 1 1 268 268 LYS CA C 13 60.558 0.090 . 1 . . . . 336 Lys CA . 17499 1 878 . 1 1 268 268 LYS CB C 13 32.330 0.194 . 1 . . . . 336 Lys CB . 17499 1 879 . 1 1 268 268 LYS CG C 13 25.064 0.150 . 1 . . . . 336 Lys CG . 17499 1 880 . 1 1 268 268 LYS CE C 13 42.726 0.150 . 1 . . . . 336 Lys CE . 17499 1 881 . 1 1 268 268 LYS N N 15 119.431 0.092 . 1 . . . . 336 Lys N . 17499 1 882 . 1 1 269 269 TRP CA C 13 59.160 0.077 . 1 . . . . 337 Trp CA . 17499 1 883 . 1 1 269 269 TRP CB C 13 31.001 0.065 . 1 . . . . 337 Trp CB . 17499 1 884 . 1 1 269 269 TRP CG C 13 108.612 0.150 . 1 . . . . 337 Trp CG . 17499 1 885 . 1 1 269 269 TRP CD1 C 13 130.141 0.137 . 1 . . . . 337 Trp CD1 . 17499 1 886 . 1 1 269 269 TRP CD2 C 13 132.622 0.170 . 1 . . . . 337 Trp CD2 . 17499 1 887 . 1 1 269 269 TRP CE2 C 13 139.371 0.121 . 1 . . . . 337 Trp CE2 . 17499 1 888 . 1 1 269 269 TRP CZ2 C 13 114.609 0.150 . 1 . . . . 337 Trp CZ2 . 17499 1 889 . 1 1 269 269 TRP CH2 C 13 123.652 0.150 . 1 . . . . 337 Trp CH2 . 17499 1 890 . 1 1 269 269 TRP N N 15 122.609 0.090 . 1 . . . . 337 Trp N . 17499 1 891 . 1 1 270 270 THR C C 13 176.599 0.017 . 1 . . . . 338 Thr C . 17499 1 892 . 1 1 270 270 THR CA C 13 67.904 0.080 . 1 . . . . 338 Thr CA . 17499 1 893 . 1 1 270 270 THR CB C 13 69.160 0.067 . 1 . . . . 338 Thr CB . 17499 1 894 . 1 1 270 270 THR CG2 C 13 21.367 0.150 . 1 . . . . 338 Thr CG2 . 17499 1 895 . 1 1 270 270 THR N N 15 115.290 0.174 . 1 . . . . 338 Thr N . 17499 1 896 . 1 1 271 271 LYS CA C 13 59.165 0.065 . 1 . . . . 339 Lys CA . 17499 1 897 . 1 1 271 271 LYS CB C 13 30.731 0.081 . 1 . . . . 339 Lys CB . 17499 1 898 . 1 1 271 271 LYS CG C 13 23.848 0.024 . 1 . . . . 339 Lys CG . 17499 1 899 . 1 1 271 271 LYS CD C 13 27.470 0.150 . 1 . . . . 339 Lys CD . 17499 1 900 . 1 1 271 271 LYS CE C 13 43.018 0.150 . 1 . . . . 339 Lys CE . 17499 1 901 . 1 1 271 271 LYS N N 15 121.806 0.196 . 1 . . . . 339 Lys N . 17499 1 902 . 1 1 275 275 ARG CA C 13 56.911 0.115 . 1 . . . . 343 Arg CA . 17499 1 903 . 1 1 275 275 ARG CB C 13 31.800 0.121 . 1 . . . . 343 Arg CB . 17499 1 904 . 1 1 275 275 ARG CG C 13 28.133 0.043 . 1 . . . . 343 Arg CG . 17499 1 905 . 1 1 275 275 ARG CD C 13 43.973 0.150 . 1 . . . . 343 Arg CD . 17499 1 906 . 1 1 275 275 ARG N N 15 116.010 0.150 . 1 . . . . 343 Arg N . 17499 1 907 . 1 1 276 276 ARG CA C 13 55.186 0.072 . 1 . . . . 344 Arg CA . 17499 1 908 . 1 1 276 276 ARG CB C 13 29.503 0.041 . 1 . . . . 344 Arg CB . 17499 1 909 . 1 1 276 276 ARG CG C 13 28.123 0.150 . 1 . . . . 344 Arg CG . 17499 1 910 . 1 1 276 276 ARG CD C 13 42.732 0.022 . 1 . . . . 344 Arg CD . 17499 1 911 . 1 1 276 276 ARG N N 15 120.926 0.051 . 1 . . . . 344 Arg N . 17499 1 912 . 1 1 277 277 PRO CA C 13 65.578 0.051 . 1 . . . . 345 Pro CA . 17499 1 913 . 1 1 277 277 PRO CB C 13 32.170 0.103 . 1 . . . . 345 Pro CB . 17499 1 914 . 1 1 277 277 PRO CG C 13 27.784 0.067 . 1 . . . . 345 Pro CG . 17499 1 915 . 1 1 277 277 PRO CD C 13 50.805 0.072 . 1 . . . . 345 Pro CD . 17499 1 916 . 1 1 277 277 PRO N N 15 137.402 0.080 . 1 . . . . 345 Pro N . 17499 1 917 . 1 1 278 278 ALA C C 13 180.187 0.017 . 1 . . . . 346 Ala C . 17499 1 918 . 1 1 278 278 ALA CA C 13 55.066 0.107 . 1 . . . . 346 Ala CA . 17499 1 919 . 1 1 278 278 ALA CB C 13 17.769 0.064 . 1 . . . . 346 Ala CB . 17499 1 920 . 1 1 278 278 ALA N N 15 118.499 0.128 . 1 . . . . 346 Ala N . 17499 1 921 . 1 1 279 279 VAL C C 13 176.813 0.074 . 1 . . . . 347 Val C . 17499 1 922 . 1 1 279 279 VAL CA C 13 66.330 0.063 . 1 . . . . 347 Val CA . 17499 1 923 . 1 1 279 279 VAL CB C 13 31.733 0.041 . 1 . . . . 347 Val CB . 17499 1 924 . 1 1 279 279 VAL CG1 C 13 22.300 0.049 . 2 . . . . 347 Val CG1 . 17499 1 925 . 1 1 279 279 VAL CG2 C 13 22.825 0.074 . 2 . . . . 347 Val CG2 . 17499 1 926 . 1 1 279 279 VAL N N 15 119.402 0.145 . 1 . . . . 347 Val N . 17499 1 927 . 1 1 280 280 ILE C C 13 179.191 0.150 . 1 . . . . 348 Ile C . 17499 1 928 . 1 1 280 280 ILE CA C 13 65.081 0.093 . 1 . . . . 348 Ile CA . 17499 1 929 . 1 1 280 280 ILE CB C 13 38.696 0.046 . 1 . . . . 348 Ile CB . 17499 1 930 . 1 1 280 280 ILE CG1 C 13 29.641 0.036 . 1 . . . . 348 Ile CG1 . 17499 1 931 . 1 1 280 280 ILE CG2 C 13 17.031 0.150 . 1 . . . . 348 Ile CG2 . 17499 1 932 . 1 1 280 280 ILE CD1 C 13 14.156 0.150 . 1 . . . . 348 Ile CD1 . 17499 1 933 . 1 1 280 280 ILE N N 15 118.660 0.044 . 1 . . . . 348 Ile N . 17499 1 934 . 1 1 281 281 LYS C C 13 179.208 0.059 . 1 . . . . 349 Lys C . 17499 1 935 . 1 1 281 281 LYS CA C 13 59.430 0.097 . 1 . . . . 349 Lys CA . 17499 1 936 . 1 1 281 281 LYS CB C 13 32.904 0.050 . 1 . . . . 349 Lys CB . 17499 1 937 . 1 1 281 281 LYS CG C 13 24.682 0.030 . 1 . . . . 349 Lys CG . 17499 1 938 . 1 1 281 281 LYS CD C 13 30.024 0.150 . 1 . . . . 349 Lys CD . 17499 1 939 . 1 1 281 281 LYS CE C 13 42.097 0.150 . 1 . . . . 349 Lys CE . 17499 1 940 . 1 1 281 281 LYS N N 15 117.443 0.272 . 1 . . . . 349 Lys N . 17499 1 941 . 1 1 282 282 ALA CA C 13 54.584 0.073 . 1 . . . . 350 Ala CA . 17499 1 942 . 1 1 282 282 ALA CB C 13 19.383 0.052 . 1 . . . . 350 Ala CB . 17499 1 943 . 1 1 282 282 ALA N N 15 121.341 0.114 . 1 . . . . 350 Ala N . 17499 1 stop_ save_