data_27832 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27832 _Entry.Title ; Methyl Chemical shift Assignment of EIC from the thermophile thermoanaerobacter tengcongenesis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-07 _Entry.Accession_date 2019-03-07 _Entry.Last_release_date 2019-03-07 _Entry.Original_release_date 2019-03-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Rochelle Dotas . . . . 27832 2 Vincenzo Venditti . . . . 27832 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27832 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 94 27832 '1H chemical shifts' 282 27832 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 . . 2020-01-16 2019-03-07 update BMRB 'update entry citation' 27832 1 . . 2019-05-22 2019-03-07 original author 'original release' 27832 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27833 'tEIN backbone and resonance assignment' 27832 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27832 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31025174 _Citation.Full_citation . _Citation.Title ; Resonance assignment of the 128 kDa enzyme I dimer from Thermoanaerobacter tengcongensis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 287 _Citation.Page_last 293 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rochelle Dotas . . . . 27832 1 2 Vincenzo Venditti . . . . 27832 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27832 _Assembly.ID 1 _Assembly.Name 'tEIC methyls' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'tEIC methyls' 1 $tEIC_methyls A . yes native no no . . . 27832 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tEIC_methyls _Entity.Sf_category entity _Entity.Sf_framecode tEIC_methyls _Entity.Entry_ID 27832 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tEIC_methyls _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 ; MAETPDGKKVMLAANIGTPK DVASALANGAEGVGLFRTEF LYMDRNSLPSEEEQFEAYKE VVEKMGGRPVTIRTLDIIGD KELPYLDMPKEMNPFLGYRA IRLCLDRPDIFKTQLRAILR ASAYGNVQIMYPMISSVEEV RKANSILEEVKAELDREGVK YDKEIKVGIMVEIPSAAVTA DILAKEVDFFSIGTNDLTQY TLAVDRMNEHVKEYYQPFHP AILRLVKMVIDAAHKEGKFA AMCGEMAGDPLAAVILLGLG LDEFSMSATSIPEIKNIIRN VEYEKAKEIAEKALNMSEAR EIEKMMKDVIKDIG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 314 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _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 . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27832 1 2 . ALA . 27832 1 3 . GLU . 27832 1 4 . THR . 27832 1 5 . PRO . 27832 1 6 . ASP . 27832 1 7 . GLY . 27832 1 8 . LYS . 27832 1 9 . LYS . 27832 1 10 . VAL . 27832 1 11 . MET . 27832 1 12 . LEU . 27832 1 13 . ALA . 27832 1 14 . ALA . 27832 1 15 . ASN . 27832 1 16 . ILE . 27832 1 17 . GLY . 27832 1 18 . THR . 27832 1 19 . PRO . 27832 1 20 . LYS . 27832 1 21 . ASP . 27832 1 22 . VAL . 27832 1 23 . ALA . 27832 1 24 . SER . 27832 1 25 . ALA . 27832 1 26 . LEU . 27832 1 27 . ALA . 27832 1 28 . ASN . 27832 1 29 . GLY . 27832 1 30 . ALA . 27832 1 31 . GLU . 27832 1 32 . GLY . 27832 1 33 . VAL . 27832 1 34 . GLY . 27832 1 35 . LEU . 27832 1 36 . PHE . 27832 1 37 . ARG . 27832 1 38 . THR . 27832 1 39 . GLU . 27832 1 40 . PHE . 27832 1 41 . LEU . 27832 1 42 . TYR . 27832 1 43 . MET . 27832 1 44 . ASP . 27832 1 45 . ARG . 27832 1 46 . ASN . 27832 1 47 . SER . 27832 1 48 . LEU . 27832 1 49 . PRO . 27832 1 50 . SER . 27832 1 51 . GLU . 27832 1 52 . GLU . 27832 1 53 . GLU . 27832 1 54 . GLN . 27832 1 55 . PHE . 27832 1 56 . GLU . 27832 1 57 . ALA . 27832 1 58 . TYR . 27832 1 59 . LYS . 27832 1 60 . GLU . 27832 1 61 . VAL . 27832 1 62 . VAL . 27832 1 63 . GLU . 27832 1 64 . LYS . 27832 1 65 . MET . 27832 1 66 . GLY . 27832 1 67 . GLY . 27832 1 68 . ARG . 27832 1 69 . PRO . 27832 1 70 . VAL . 27832 1 71 . THR . 27832 1 72 . ILE . 27832 1 73 . ARG . 27832 1 74 . THR . 27832 1 75 . LEU . 27832 1 76 . ASP . 27832 1 77 . ILE . 27832 1 78 . ILE . 27832 1 79 . GLY . 27832 1 80 . ASP . 27832 1 81 . LYS . 27832 1 82 . GLU . 27832 1 83 . LEU . 27832 1 84 . PRO . 27832 1 85 . TYR . 27832 1 86 . LEU . 27832 1 87 . ASP . 27832 1 88 . MET . 27832 1 89 . PRO . 27832 1 90 . LYS . 27832 1 91 . GLU . 27832 1 92 . MET . 27832 1 93 . ASN . 27832 1 94 . PRO . 27832 1 95 . PHE . 27832 1 96 . LEU . 27832 1 97 . GLY . 27832 1 98 . TYR . 27832 1 99 . ARG . 27832 1 100 . ALA . 27832 1 101 . ILE . 27832 1 102 . ARG . 27832 1 103 . LEU . 27832 1 104 . CYS . 27832 1 105 . LEU . 27832 1 106 . ASP . 27832 1 107 . ARG . 27832 1 108 . PRO . 27832 1 109 . ASP . 27832 1 110 . ILE . 27832 1 111 . PHE . 27832 1 112 . LYS . 27832 1 113 . THR . 27832 1 114 . GLN . 27832 1 115 . LEU . 27832 1 116 . ARG . 27832 1 117 . ALA . 27832 1 118 . ILE . 27832 1 119 . LEU . 27832 1 120 . ARG . 27832 1 121 . ALA . 27832 1 122 . SER . 27832 1 123 . ALA . 27832 1 124 . TYR . 27832 1 125 . GLY . 27832 1 126 . ASN . 27832 1 127 . VAL . 27832 1 128 . GLN . 27832 1 129 . ILE . 27832 1 130 . MET . 27832 1 131 . TYR . 27832 1 132 . PRO . 27832 1 133 . MET . 27832 1 134 . ILE . 27832 1 135 . SER . 27832 1 136 . SER . 27832 1 137 . VAL . 27832 1 138 . GLU . 27832 1 139 . GLU . 27832 1 140 . VAL . 27832 1 141 . ARG . 27832 1 142 . LYS . 27832 1 143 . ALA . 27832 1 144 . ASN . 27832 1 145 . SER . 27832 1 146 . ILE . 27832 1 147 . LEU . 27832 1 148 . GLU . 27832 1 149 . GLU . 27832 1 150 . VAL . 27832 1 151 . LYS . 27832 1 152 . ALA . 27832 1 153 . GLU . 27832 1 154 . LEU . 27832 1 155 . ASP . 27832 1 156 . ARG . 27832 1 157 . GLU . 27832 1 158 . GLY . 27832 1 159 . VAL . 27832 1 160 . LYS . 27832 1 161 . TYR . 27832 1 162 . ASP . 27832 1 163 . LYS . 27832 1 164 . GLU . 27832 1 165 . ILE . 27832 1 166 . LYS . 27832 1 167 . VAL . 27832 1 168 . GLY . 27832 1 169 . ILE . 27832 1 170 . MET . 27832 1 171 . VAL . 27832 1 172 . GLU . 27832 1 173 . ILE . 27832 1 174 . PRO . 27832 1 175 . SER . 27832 1 176 . ALA . 27832 1 177 . ALA . 27832 1 178 . VAL . 27832 1 179 . THR . 27832 1 180 . ALA . 27832 1 181 . ASP . 27832 1 182 . ILE . 27832 1 183 . LEU . 27832 1 184 . ALA . 27832 1 185 . LYS . 27832 1 186 . GLU . 27832 1 187 . VAL . 27832 1 188 . ASP . 27832 1 189 . PHE . 27832 1 190 . PHE . 27832 1 191 . SER . 27832 1 192 . ILE . 27832 1 193 . GLY . 27832 1 194 . THR . 27832 1 195 . ASN . 27832 1 196 . ASP . 27832 1 197 . LEU . 27832 1 198 . THR . 27832 1 199 . GLN . 27832 1 200 . TYR . 27832 1 201 . THR . 27832 1 202 . LEU . 27832 1 203 . ALA . 27832 1 204 . VAL . 27832 1 205 . ASP . 27832 1 206 . ARG . 27832 1 207 . MET . 27832 1 208 . ASN . 27832 1 209 . GLU . 27832 1 210 . HIS . 27832 1 211 . VAL . 27832 1 212 . LYS . 27832 1 213 . GLU . 27832 1 214 . TYR . 27832 1 215 . TYR . 27832 1 216 . GLN . 27832 1 217 . PRO . 27832 1 218 . PHE . 27832 1 219 . HIS . 27832 1 220 . PRO . 27832 1 221 . ALA . 27832 1 222 . ILE . 27832 1 223 . LEU . 27832 1 224 . ARG . 27832 1 225 . LEU . 27832 1 226 . VAL . 27832 1 227 . LYS . 27832 1 228 . MET . 27832 1 229 . VAL . 27832 1 230 . ILE . 27832 1 231 . ASP . 27832 1 232 . ALA . 27832 1 233 . ALA . 27832 1 234 . HIS . 27832 1 235 . LYS . 27832 1 236 . GLU . 27832 1 237 . GLY . 27832 1 238 . LYS . 27832 1 239 . PHE . 27832 1 240 . ALA . 27832 1 241 . ALA . 27832 1 242 . MET . 27832 1 243 . CYS . 27832 1 244 . GLY . 27832 1 245 . GLU . 27832 1 246 . MET . 27832 1 247 . ALA . 27832 1 248 . GLY . 27832 1 249 . ASP . 27832 1 250 . PRO . 27832 1 251 . LEU . 27832 1 252 . ALA . 27832 1 253 . ALA . 27832 1 254 . VAL . 27832 1 255 . ILE . 27832 1 256 . LEU . 27832 1 257 . LEU . 27832 1 258 . GLY . 27832 1 259 . LEU . 27832 1 260 . GLY . 27832 1 261 . LEU . 27832 1 262 . ASP . 27832 1 263 . GLU . 27832 1 264 . PHE . 27832 1 265 . SER . 27832 1 266 . MET . 27832 1 267 . SER . 27832 1 268 . ALA . 27832 1 269 . THR . 27832 1 270 . SER . 27832 1 271 . ILE . 27832 1 272 . PRO . 27832 1 273 . GLU . 27832 1 274 . ILE . 27832 1 275 . LYS . 27832 1 276 . ASN . 27832 1 277 . ILE . 27832 1 278 . ILE . 27832 1 279 . ARG . 27832 1 280 . ASN . 27832 1 281 . VAL . 27832 1 282 . GLU . 27832 1 283 . TYR . 27832 1 284 . GLU . 27832 1 285 . LYS . 27832 1 286 . ALA . 27832 1 287 . LYS . 27832 1 288 . GLU . 27832 1 289 . ILE . 27832 1 290 . ALA . 27832 1 291 . GLU . 27832 1 292 . LYS . 27832 1 293 . ALA . 27832 1 294 . LEU . 27832 1 295 . ASN . 27832 1 296 . MET . 27832 1 297 . SER . 27832 1 298 . GLU . 27832 1 299 . ALA . 27832 1 300 . ARG . 27832 1 301 . GLU . 27832 1 302 . ILE . 27832 1 303 . GLU . 27832 1 304 . LYS . 27832 1 305 . MET . 27832 1 306 . MET . 27832 1 307 . LYS . 27832 1 308 . ASP . 27832 1 309 . VAL . 27832 1 310 . ILE . 27832 1 311 . LYS . 27832 1 312 . ASP . 27832 1 313 . ILE . 27832 1 314 . GLY . 27832 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 27832 1 . ALA 2 2 27832 1 . GLU 3 3 27832 1 . THR 4 4 27832 1 . PRO 5 5 27832 1 . ASP 6 6 27832 1 . GLY 7 7 27832 1 . LYS 8 8 27832 1 . LYS 9 9 27832 1 . VAL 10 10 27832 1 . MET 11 11 27832 1 . LEU 12 12 27832 1 . ALA 13 13 27832 1 . ALA 14 14 27832 1 . ASN 15 15 27832 1 . ILE 16 16 27832 1 . GLY 17 17 27832 1 . THR 18 18 27832 1 . PRO 19 19 27832 1 . LYS 20 20 27832 1 . ASP 21 21 27832 1 . VAL 22 22 27832 1 . ALA 23 23 27832 1 . SER 24 24 27832 1 . ALA 25 25 27832 1 . LEU 26 26 27832 1 . ALA 27 27 27832 1 . ASN 28 28 27832 1 . GLY 29 29 27832 1 . ALA 30 30 27832 1 . GLU 31 31 27832 1 . GLY 32 32 27832 1 . VAL 33 33 27832 1 . GLY 34 34 27832 1 . LEU 35 35 27832 1 . PHE 36 36 27832 1 . ARG 37 37 27832 1 . THR 38 38 27832 1 . GLU 39 39 27832 1 . PHE 40 40 27832 1 . LEU 41 41 27832 1 . TYR 42 42 27832 1 . MET 43 43 27832 1 . ASP 44 44 27832 1 . ARG 45 45 27832 1 . ASN 46 46 27832 1 . SER 47 47 27832 1 . LEU 48 48 27832 1 . PRO 49 49 27832 1 . SER 50 50 27832 1 . GLU 51 51 27832 1 . GLU 52 52 27832 1 . GLU 53 53 27832 1 . GLN 54 54 27832 1 . PHE 55 55 27832 1 . GLU 56 56 27832 1 . ALA 57 57 27832 1 . TYR 58 58 27832 1 . LYS 59 59 27832 1 . GLU 60 60 27832 1 . VAL 61 61 27832 1 . VAL 62 62 27832 1 . GLU 63 63 27832 1 . LYS 64 64 27832 1 . MET 65 65 27832 1 . GLY 66 66 27832 1 . GLY 67 67 27832 1 . ARG 68 68 27832 1 . PRO 69 69 27832 1 . VAL 70 70 27832 1 . THR 71 71 27832 1 . ILE 72 72 27832 1 . ARG 73 73 27832 1 . THR 74 74 27832 1 . LEU 75 75 27832 1 . ASP 76 76 27832 1 . ILE 77 77 27832 1 . ILE 78 78 27832 1 . GLY 79 79 27832 1 . ASP 80 80 27832 1 . LYS 81 81 27832 1 . GLU 82 82 27832 1 . LEU 83 83 27832 1 . PRO 84 84 27832 1 . TYR 85 85 27832 1 . LEU 86 86 27832 1 . ASP 87 87 27832 1 . MET 88 88 27832 1 . PRO 89 89 27832 1 . LYS 90 90 27832 1 . GLU 91 91 27832 1 . MET 92 92 27832 1 . ASN 93 93 27832 1 . PRO 94 94 27832 1 . PHE 95 95 27832 1 . LEU 96 96 27832 1 . GLY 97 97 27832 1 . TYR 98 98 27832 1 . ARG 99 99 27832 1 . ALA 100 100 27832 1 . ILE 101 101 27832 1 . ARG 102 102 27832 1 . LEU 103 103 27832 1 . CYS 104 104 27832 1 . LEU 105 105 27832 1 . ASP 106 106 27832 1 . ARG 107 107 27832 1 . PRO 108 108 27832 1 . ASP 109 109 27832 1 . ILE 110 110 27832 1 . PHE 111 111 27832 1 . LYS 112 112 27832 1 . THR 113 113 27832 1 . GLN 114 114 27832 1 . LEU 115 115 27832 1 . ARG 116 116 27832 1 . ALA 117 117 27832 1 . ILE 118 118 27832 1 . LEU 119 119 27832 1 . ARG 120 120 27832 1 . ALA 121 121 27832 1 . SER 122 122 27832 1 . ALA 123 123 27832 1 . TYR 124 124 27832 1 . GLY 125 125 27832 1 . ASN 126 126 27832 1 . VAL 127 127 27832 1 . GLN 128 128 27832 1 . ILE 129 129 27832 1 . MET 130 130 27832 1 . TYR 131 131 27832 1 . PRO 132 132 27832 1 . MET 133 133 27832 1 . ILE 134 134 27832 1 . SER 135 135 27832 1 . SER 136 136 27832 1 . VAL 137 137 27832 1 . GLU 138 138 27832 1 . GLU 139 139 27832 1 . VAL 140 140 27832 1 . ARG 141 141 27832 1 . LYS 142 142 27832 1 . ALA 143 143 27832 1 . ASN 144 144 27832 1 . SER 145 145 27832 1 . ILE 146 146 27832 1 . LEU 147 147 27832 1 . GLU 148 148 27832 1 . GLU 149 149 27832 1 . VAL 150 150 27832 1 . LYS 151 151 27832 1 . ALA 152 152 27832 1 . GLU 153 153 27832 1 . LEU 154 154 27832 1 . ASP 155 155 27832 1 . ARG 156 156 27832 1 . GLU 157 157 27832 1 . GLY 158 158 27832 1 . VAL 159 159 27832 1 . LYS 160 160 27832 1 . TYR 161 161 27832 1 . ASP 162 162 27832 1 . LYS 163 163 27832 1 . GLU 164 164 27832 1 . ILE 165 165 27832 1 . LYS 166 166 27832 1 . VAL 167 167 27832 1 . GLY 168 168 27832 1 . ILE 169 169 27832 1 . MET 170 170 27832 1 . VAL 171 171 27832 1 . GLU 172 172 27832 1 . ILE 173 173 27832 1 . PRO 174 174 27832 1 . SER 175 175 27832 1 . ALA 176 176 27832 1 . ALA 177 177 27832 1 . VAL 178 178 27832 1 . THR 179 179 27832 1 . ALA 180 180 27832 1 . ASP 181 181 27832 1 . ILE 182 182 27832 1 . LEU 183 183 27832 1 . ALA 184 184 27832 1 . LYS 185 185 27832 1 . GLU 186 186 27832 1 . VAL 187 187 27832 1 . ASP 188 188 27832 1 . PHE 189 189 27832 1 . PHE 190 190 27832 1 . SER 191 191 27832 1 . ILE 192 192 27832 1 . GLY 193 193 27832 1 . THR 194 194 27832 1 . ASN 195 195 27832 1 . ASP 196 196 27832 1 . LEU 197 197 27832 1 . THR 198 198 27832 1 . GLN 199 199 27832 1 . TYR 200 200 27832 1 . THR 201 201 27832 1 . LEU 202 202 27832 1 . ALA 203 203 27832 1 . VAL 204 204 27832 1 . ASP 205 205 27832 1 . ARG 206 206 27832 1 . MET 207 207 27832 1 . ASN 208 208 27832 1 . GLU 209 209 27832 1 . HIS 210 210 27832 1 . VAL 211 211 27832 1 . LYS 212 212 27832 1 . GLU 213 213 27832 1 . TYR 214 214 27832 1 . TYR 215 215 27832 1 . GLN 216 216 27832 1 . PRO 217 217 27832 1 . PHE 218 218 27832 1 . HIS 219 219 27832 1 . PRO 220 220 27832 1 . ALA 221 221 27832 1 . ILE 222 222 27832 1 . LEU 223 223 27832 1 . ARG 224 224 27832 1 . LEU 225 225 27832 1 . VAL 226 226 27832 1 . LYS 227 227 27832 1 . MET 228 228 27832 1 . VAL 229 229 27832 1 . ILE 230 230 27832 1 . ASP 231 231 27832 1 . ALA 232 232 27832 1 . ALA 233 233 27832 1 . HIS 234 234 27832 1 . LYS 235 235 27832 1 . GLU 236 236 27832 1 . GLY 237 237 27832 1 . LYS 238 238 27832 1 . PHE 239 239 27832 1 . ALA 240 240 27832 1 . ALA 241 241 27832 1 . MET 242 242 27832 1 . CYS 243 243 27832 1 . GLY 244 244 27832 1 . GLU 245 245 27832 1 . MET 246 246 27832 1 . ALA 247 247 27832 1 . GLY 248 248 27832 1 . ASP 249 249 27832 1 . PRO 250 250 27832 1 . LEU 251 251 27832 1 . ALA 252 252 27832 1 . ALA 253 253 27832 1 . VAL 254 254 27832 1 . ILE 255 255 27832 1 . LEU 256 256 27832 1 . LEU 257 257 27832 1 . GLY 258 258 27832 1 . LEU 259 259 27832 1 . GLY 260 260 27832 1 . LEU 261 261 27832 1 . ASP 262 262 27832 1 . GLU 263 263 27832 1 . PHE 264 264 27832 1 . SER 265 265 27832 1 . MET 266 266 27832 1 . SER 267 267 27832 1 . ALA 268 268 27832 1 . THR 269 269 27832 1 . SER 270 270 27832 1 . ILE 271 271 27832 1 . PRO 272 272 27832 1 . GLU 273 273 27832 1 . ILE 274 274 27832 1 . LYS 275 275 27832 1 . ASN 276 276 27832 1 . ILE 277 277 27832 1 . ILE 278 278 27832 1 . ARG 279 279 27832 1 . ASN 280 280 27832 1 . VAL 281 281 27832 1 . GLU 282 282 27832 1 . TYR 283 283 27832 1 . GLU 284 284 27832 1 . LYS 285 285 27832 1 . ALA 286 286 27832 1 . LYS 287 287 27832 1 . GLU 288 288 27832 1 . ILE 289 289 27832 1 . ALA 290 290 27832 1 . GLU 291 291 27832 1 . LYS 292 292 27832 1 . ALA 293 293 27832 1 . LEU 294 294 27832 1 . ASN 295 295 27832 1 . MET 296 296 27832 1 . SER 297 297 27832 1 . GLU 298 298 27832 1 . ALA 299 299 27832 1 . ARG 300 300 27832 1 . GLU 301 301 27832 1 . ILE 302 302 27832 1 . GLU 303 303 27832 1 . LYS 304 304 27832 1 . MET 305 305 27832 1 . MET 306 306 27832 1 . LYS 307 307 27832 1 . ASP 308 308 27832 1 . VAL 309 309 27832 1 . ILE 310 310 27832 1 . LYS 311 311 27832 1 . ASP 312 312 27832 1 . ILE 313 313 27832 1 . GLY 314 314 27832 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 27832 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $tEIC_methyls . 911092 organism . 'Thermoanaerobacter tengcongenesis' 'Caldanaerobacter subterraneus' . . Bacteria . Thermoanaerobacter tengcongenesis . . . . . . . . . . . . . 27832 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 27832 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $tEIC_methyls . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet21A . . . 27832 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27832 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'tEIC methyls' '[U-2H; U-13C, methyl]' . . 1 $tEIC_methyls . . 1 . . mM . . . . 27832 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27832 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 27832 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27832 1 5 MgCl2 'natural abundance' . . . . . . 4 . . mM . . . . 27832 1 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27832 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27832 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 27832 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 'ionic strength' 100 . mM 27832 1 pH 7.4 . pH 27832 1 pressure 1 . atm 27832 1 temperature 273 . K 27832 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27832 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27832 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27832 1 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 27832 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27832 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 700 . . . 27832 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 27832 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27832 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 27832 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.8 internal indirect 0.251449530 . . . . . 27832 1 H 1 water protons . . . . ppm 4.8 internal indirect 1.0 . . . . . 27832 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 27832 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aliphatic' . . . 27832 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 10 10 VAL HG11 H 1 0.592 0.01 . 2 . . . . . 10 VAL HG1 . 27832 1 2 . 1 1 10 10 VAL HG12 H 1 0.592 0.01 . 2 . . . . . 10 VAL HG1 . 27832 1 3 . 1 1 10 10 VAL HG13 H 1 0.592 0.01 . 2 . . . . . 10 VAL HG1 . 27832 1 4 . 1 1 10 10 VAL HG21 H 1 0.827 0.01 . 2 . . . . . 10 VAL HG2 . 27832 1 5 . 1 1 10 10 VAL HG22 H 1 0.827 0.01 . 2 . . . . . 10 VAL HG2 . 27832 1 6 . 1 1 10 10 VAL HG23 H 1 0.827 0.01 . 2 . . . . . 10 VAL HG2 . 27832 1 7 . 1 1 10 10 VAL CG1 C 13 19.585 0.04 . 2 . . . . . 10 VAL CG1 . 27832 1 8 . 1 1 10 10 VAL CG2 C 13 22.558 0.04 . 2 . . . . . 10 VAL CG2 . 27832 1 9 . 1 1 12 12 LEU HD11 H 1 0.613 0.01 . 2 . . . . . 12 LEU HD1 . 27832 1 10 . 1 1 12 12 LEU HD12 H 1 0.613 0.01 . 2 . . . . . 12 LEU HD1 . 27832 1 11 . 1 1 12 12 LEU HD13 H 1 0.613 0.01 . 2 . . . . . 12 LEU HD1 . 27832 1 12 . 1 1 12 12 LEU CD1 C 13 24.14 0.04 . 2 . . . . . 12 LEU CD1 . 27832 1 13 . 1 1 16 16 ILE HD11 H 1 0.086 0.01 . 1 . . . . . 16 ILE HD1 . 27832 1 14 . 1 1 16 16 ILE HD12 H 1 0.086 0.01 . 1 . . . . . 16 ILE HD1 . 27832 1 15 . 1 1 16 16 ILE HD13 H 1 0.086 0.01 . 1 . . . . . 16 ILE HD1 . 27832 1 16 . 1 1 16 16 ILE CD1 C 13 12.577 0.04 . 1 . . . . . 16 ILE CD1 . 27832 1 17 . 1 1 22 22 VAL HG11 H 1 0.837 0.01 . 2 . . . . . 22 VAL HG1 . 27832 1 18 . 1 1 22 22 VAL HG12 H 1 0.837 0.01 . 2 . . . . . 22 VAL HG1 . 27832 1 19 . 1 1 22 22 VAL HG13 H 1 0.837 0.01 . 2 . . . . . 22 VAL HG1 . 27832 1 20 . 1 1 22 22 VAL HG21 H 1 0.92 0.01 . 2 . . . . . 22 VAL HG2 . 27832 1 21 . 1 1 22 22 VAL HG22 H 1 0.92 0.01 . 2 . . . . . 22 VAL HG2 . 27832 1 22 . 1 1 22 22 VAL HG23 H 1 0.92 0.01 . 2 . . . . . 22 VAL HG2 . 27832 1 23 . 1 1 22 22 VAL CG1 C 13 21.484 0.04 . 2 . . . . . 22 VAL CG1 . 27832 1 24 . 1 1 22 22 VAL CG2 C 13 24.82 0.04 . 2 . . . . . 22 VAL CG2 . 27832 1 25 . 1 1 26 26 LEU HD11 H 1 0.571 0.01 . 2 . . . . . 26 LEU HD1 . 27832 1 26 . 1 1 26 26 LEU HD12 H 1 0.571 0.01 . 2 . . . . . 26 LEU HD1 . 27832 1 27 . 1 1 26 26 LEU HD13 H 1 0.571 0.01 . 2 . . . . . 26 LEU HD1 . 27832 1 28 . 1 1 26 26 LEU HD21 H 1 0.821 0.01 . 2 . . . . . 26 LEU HD2 . 27832 1 29 . 1 1 26 26 LEU HD22 H 1 0.821 0.01 . 2 . . . . . 26 LEU HD2 . 27832 1 30 . 1 1 26 26 LEU HD23 H 1 0.821 0.01 . 2 . . . . . 26 LEU HD2 . 27832 1 31 . 1 1 26 26 LEU CD1 C 13 22.153 0.04 . 2 . . . . . 26 LEU CD1 . 27832 1 32 . 1 1 26 26 LEU CD2 C 13 22.401 0.04 . 2 . . . . . 26 LEU CD2 . 27832 1 33 . 1 1 35 35 LEU HD11 H 1 0.716 0.01 . 2 . . . . . 35 LEU HD1 . 27832 1 34 . 1 1 35 35 LEU HD12 H 1 0.716 0.01 . 2 . . . . . 35 LEU HD1 . 27832 1 35 . 1 1 35 35 LEU HD13 H 1 0.716 0.01 . 2 . . . . . 35 LEU HD1 . 27832 1 36 . 1 1 35 35 LEU HD21 H 1 0.843 0.01 . 2 . . . . . 35 LEU HD2 . 27832 1 37 . 1 1 35 35 LEU HD22 H 1 0.843 0.01 . 2 . . . . . 35 LEU HD2 . 27832 1 38 . 1 1 35 35 LEU HD23 H 1 0.843 0.01 . 2 . . . . . 35 LEU HD2 . 27832 1 39 . 1 1 35 35 LEU CD1 C 13 24.713 0.04 . 2 . . . . . 35 LEU CD1 . 27832 1 40 . 1 1 35 35 LEU CD2 C 13 24.937 0.04 . 2 . . . . . 35 LEU CD2 . 27832 1 41 . 1 1 41 41 LEU HD11 H 1 0.359 0.01 . 2 . . . . . 41 LEU HD1 . 27832 1 42 . 1 1 41 41 LEU HD12 H 1 0.359 0.01 . 2 . . . . . 41 LEU HD1 . 27832 1 43 . 1 1 41 41 LEU HD13 H 1 0.359 0.01 . 2 . . . . . 41 LEU HD1 . 27832 1 44 . 1 1 41 41 LEU HD21 H 1 0.528 0.01 . 2 . . . . . 41 LEU HD2 . 27832 1 45 . 1 1 41 41 LEU HD22 H 1 0.528 0.01 . 2 . . . . . 41 LEU HD2 . 27832 1 46 . 1 1 41 41 LEU HD23 H 1 0.528 0.01 . 2 . . . . . 41 LEU HD2 . 27832 1 47 . 1 1 41 41 LEU CD1 C 13 23.665 0.04 . 2 . . . . . 41 LEU CD1 . 27832 1 48 . 1 1 41 41 LEU CD2 C 13 26.956 0.04 . 2 . . . . . 41 LEU CD2 . 27832 1 49 . 1 1 48 48 LEU HD11 H 1 0.518 0.01 . 2 . . . . . 48 LEU HD1 . 27832 1 50 . 1 1 48 48 LEU HD12 H 1 0.518 0.01 . 2 . . . . . 48 LEU HD1 . 27832 1 51 . 1 1 48 48 LEU HD13 H 1 0.518 0.01 . 2 . . . . . 48 LEU HD1 . 27832 1 52 . 1 1 48 48 LEU CD1 C 13 23.984 0.04 . 2 . . . . . 48 LEU CD1 . 27832 1 53 . 1 1 61 61 VAL HG11 H 1 0.634 0.01 . 2 . . . . . 61 VAL HG1 . 27832 1 54 . 1 1 61 61 VAL HG12 H 1 0.634 0.01 . 2 . . . . . 61 VAL HG1 . 27832 1 55 . 1 1 61 61 VAL HG13 H 1 0.634 0.01 . 2 . . . . . 61 VAL HG1 . 27832 1 56 . 1 1 61 61 VAL HG21 H 1 0.823 0.01 . 2 . . . . . 61 VAL HG2 . 27832 1 57 . 1 1 61 61 VAL HG22 H 1 0.823 0.01 . 2 . . . . . 61 VAL HG2 . 27832 1 58 . 1 1 61 61 VAL HG23 H 1 0.823 0.01 . 2 . . . . . 61 VAL HG2 . 27832 1 59 . 1 1 61 61 VAL CG1 C 13 21.395 0.04 . 2 . . . . . 61 VAL CG1 . 27832 1 60 . 1 1 61 61 VAL CG2 C 13 23.181 0.04 . 2 . . . . . 61 VAL CG2 . 27832 1 61 . 1 1 62 62 VAL HG11 H 1 0.806 0.01 . 2 . . . . . 62 VAL HG1 . 27832 1 62 . 1 1 62 62 VAL HG12 H 1 0.806 0.01 . 2 . . . . . 62 VAL HG1 . 27832 1 63 . 1 1 62 62 VAL HG13 H 1 0.806 0.01 . 2 . . . . . 62 VAL HG1 . 27832 1 64 . 1 1 62 62 VAL HG21 H 1 0.927 0.01 . 2 . . . . . 62 VAL HG2 . 27832 1 65 . 1 1 62 62 VAL HG22 H 1 0.927 0.01 . 2 . . . . . 62 VAL HG2 . 27832 1 66 . 1 1 62 62 VAL HG23 H 1 0.927 0.01 . 2 . . . . . 62 VAL HG2 . 27832 1 67 . 1 1 62 62 VAL CG1 C 13 20.528 0.04 . 2 . . . . . 62 VAL CG1 . 27832 1 68 . 1 1 62 62 VAL CG2 C 13 22.891 0.04 . 2 . . . . . 62 VAL CG2 . 27832 1 69 . 1 1 70 70 VAL HG11 H 1 0.717 0.01 . 2 . . . . . 70 VAL HG1 . 27832 1 70 . 1 1 70 70 VAL HG12 H 1 0.717 0.01 . 2 . . . . . 70 VAL HG1 . 27832 1 71 . 1 1 70 70 VAL HG13 H 1 0.717 0.01 . 2 . . . . . 70 VAL HG1 . 27832 1 72 . 1 1 70 70 VAL CG1 C 13 20.763 0.04 . 2 . . . . . 70 VAL CG1 . 27832 1 73 . 1 1 72 72 ILE HD11 H 1 0.36 0.01 . 1 . . . . . 72 ILE HD1 . 27832 1 74 . 1 1 72 72 ILE HD12 H 1 0.36 0.01 . 1 . . . . . 72 ILE HD1 . 27832 1 75 . 1 1 72 72 ILE HD13 H 1 0.36 0.01 . 1 . . . . . 72 ILE HD1 . 27832 1 76 . 1 1 72 72 ILE CD1 C 13 12.399 0.04 . 1 . . . . . 72 ILE CD1 . 27832 1 77 . 1 1 75 75 LEU HD11 H 1 0.816 0.01 . 2 . . . . . 75 LEU HD1 . 27832 1 78 . 1 1 75 75 LEU HD12 H 1 0.816 0.01 . 2 . . . . . 75 LEU HD1 . 27832 1 79 . 1 1 75 75 LEU HD13 H 1 0.816 0.01 . 2 . . . . . 75 LEU HD1 . 27832 1 80 . 1 1 75 75 LEU CD1 C 13 25.402 0.04 . 2 . . . . . 75 LEU CD1 . 27832 1 81 . 1 1 77 77 ILE HD11 H 1 0.669 0.01 . 1 . . . . . 77 ILE HD1 . 27832 1 82 . 1 1 77 77 ILE HD12 H 1 0.669 0.01 . 1 . . . . . 77 ILE HD1 . 27832 1 83 . 1 1 77 77 ILE HD13 H 1 0.669 0.01 . 1 . . . . . 77 ILE HD1 . 27832 1 84 . 1 1 77 77 ILE CD1 C 13 14.134 0.04 . 1 . . . . . 77 ILE CD1 . 27832 1 85 . 1 1 78 78 ILE HD11 H 1 0.46 0.01 . 1 . . . . . 78 ILE HD1 . 27832 1 86 . 1 1 78 78 ILE HD12 H 1 0.46 0.01 . 1 . . . . . 78 ILE HD1 . 27832 1 87 . 1 1 78 78 ILE HD13 H 1 0.46 0.01 . 1 . . . . . 78 ILE HD1 . 27832 1 88 . 1 1 78 78 ILE CD1 C 13 14.302 0.04 . 1 . . . . . 78 ILE CD1 . 27832 1 89 . 1 1 83 83 LEU HD11 H 1 0.911 0.01 . 2 . . . . . 83 LEU HD1 . 27832 1 90 . 1 1 83 83 LEU HD12 H 1 0.911 0.01 . 2 . . . . . 83 LEU HD1 . 27832 1 91 . 1 1 83 83 LEU HD13 H 1 0.911 0.01 . 2 . . . . . 83 LEU HD1 . 27832 1 92 . 1 1 83 83 LEU CD1 C 13 24.025 0.04 . 2 . . . . . 83 LEU CD1 . 27832 1 93 . 1 1 86 86 LEU HD11 H 1 0.79 0.01 . 2 . . . . . 86 LEU HD1 . 27832 1 94 . 1 1 86 86 LEU HD12 H 1 0.79 0.01 . 2 . . . . . 86 LEU HD1 . 27832 1 95 . 1 1 86 86 LEU HD13 H 1 0.79 0.01 . 2 . . . . . 86 LEU HD1 . 27832 1 96 . 1 1 86 86 LEU HD21 H 1 0.832 0.01 . 2 . . . . . 86 LEU HD2 . 27832 1 97 . 1 1 86 86 LEU HD22 H 1 0.832 0.01 . 2 . . . . . 86 LEU HD2 . 27832 1 98 . 1 1 86 86 LEU HD23 H 1 0.832 0.01 . 2 . . . . . 86 LEU HD2 . 27832 1 99 . 1 1 86 86 LEU CD1 C 13 24.036 0.04 . 2 . . . . . 86 LEU CD1 . 27832 1 100 . 1 1 86 86 LEU CD2 C 13 25.061 0.04 . 2 . . . . . 86 LEU CD2 . 27832 1 101 . 1 1 96 96 LEU HD11 H 1 0.898 0.01 . 2 . . . . . 96 LEU HD1 . 27832 1 102 . 1 1 96 96 LEU HD12 H 1 0.898 0.01 . 2 . . . . . 96 LEU HD1 . 27832 1 103 . 1 1 96 96 LEU HD13 H 1 0.898 0.01 . 2 . . . . . 96 LEU HD1 . 27832 1 104 . 1 1 96 96 LEU CD1 C 13 23.28 0.04 . 2 . . . . . 96 LEU CD1 . 27832 1 105 . 1 1 101 101 ILE HD11 H 1 0.379 0.01 . 1 . . . . . 101 ILE HD1 . 27832 1 106 . 1 1 101 101 ILE HD12 H 1 0.379 0.01 . 1 . . . . . 101 ILE HD1 . 27832 1 107 . 1 1 101 101 ILE HD13 H 1 0.379 0.01 . 1 . . . . . 101 ILE HD1 . 27832 1 108 . 1 1 101 101 ILE CD1 C 13 13.667 0.04 . 1 . . . . . 101 ILE CD1 . 27832 1 109 . 1 1 103 103 LEU HD11 H 1 0.544 0.01 . 2 . . . . . 103 LEU HD1 . 27832 1 110 . 1 1 103 103 LEU HD12 H 1 0.544 0.01 . 2 . . . . . 103 LEU HD1 . 27832 1 111 . 1 1 103 103 LEU HD13 H 1 0.544 0.01 . 2 . . . . . 103 LEU HD1 . 27832 1 112 . 1 1 103 103 LEU HD21 H 1 0.654 0.01 . 2 . . . . . 103 LEU HD2 . 27832 1 113 . 1 1 103 103 LEU HD22 H 1 0.654 0.01 . 2 . . . . . 103 LEU HD2 . 27832 1 114 . 1 1 103 103 LEU HD23 H 1 0.654 0.01 . 2 . . . . . 103 LEU HD2 . 27832 1 115 . 1 1 103 103 LEU CD1 C 13 24.627 0.04 . 2 . . . . . 103 LEU CD1 . 27832 1 116 . 1 1 103 103 LEU CD2 C 13 24.867 0.04 . 2 . . . . . 103 LEU CD2 . 27832 1 117 . 1 1 105 105 LEU HD11 H 1 0.705 0.01 . 2 . . . . . 105 LEU HD1 . 27832 1 118 . 1 1 105 105 LEU HD12 H 1 0.705 0.01 . 2 . . . . . 105 LEU HD1 . 27832 1 119 . 1 1 105 105 LEU HD13 H 1 0.705 0.01 . 2 . . . . . 105 LEU HD1 . 27832 1 120 . 1 1 105 105 LEU HD21 H 1 0.887 0.01 . 2 . . . . . 105 LEU HD2 . 27832 1 121 . 1 1 105 105 LEU HD22 H 1 0.887 0.01 . 2 . . . . . 105 LEU HD2 . 27832 1 122 . 1 1 105 105 LEU HD23 H 1 0.887 0.01 . 2 . . . . . 105 LEU HD2 . 27832 1 123 . 1 1 105 105 LEU CD1 C 13 25.704 0.04 . 2 . . . . . 105 LEU CD1 . 27832 1 124 . 1 1 105 105 LEU CD2 C 13 26.289 0.04 . 2 . . . . . 105 LEU CD2 . 27832 1 125 . 1 1 110 110 ILE HD11 H 1 0.85 0.01 . 1 . . . . . 110 ILE HD1 . 27832 1 126 . 1 1 110 110 ILE HD12 H 1 0.85 0.01 . 1 . . . . . 110 ILE HD1 . 27832 1 127 . 1 1 110 110 ILE HD13 H 1 0.85 0.01 . 1 . . . . . 110 ILE HD1 . 27832 1 128 . 1 1 110 110 ILE CD1 C 13 13.443 0.04 . 1 . . . . . 110 ILE CD1 . 27832 1 129 . 1 1 115 115 LEU HD11 H 1 -0.046 0.01 . 2 . . . . . 115 LEU HD1 . 27832 1 130 . 1 1 115 115 LEU HD12 H 1 -0.046 0.01 . 2 . . . . . 115 LEU HD1 . 27832 1 131 . 1 1 115 115 LEU HD13 H 1 -0.046 0.01 . 2 . . . . . 115 LEU HD1 . 27832 1 132 . 1 1 115 115 LEU HD21 H 1 0.625 0.01 . 2 . . . . . 115 LEU HD2 . 27832 1 133 . 1 1 115 115 LEU HD22 H 1 0.625 0.01 . 2 . . . . . 115 LEU HD2 . 27832 1 134 . 1 1 115 115 LEU HD23 H 1 0.625 0.01 . 2 . . . . . 115 LEU HD2 . 27832 1 135 . 1 1 115 115 LEU CD1 C 13 21.501 0.04 . 2 . . . . . 115 LEU CD1 . 27832 1 136 . 1 1 115 115 LEU CD2 C 13 24.447 0.04 . 2 . . . . . 115 LEU CD2 . 27832 1 137 . 1 1 119 119 LEU HD11 H 1 0.75 0.01 . 2 . . . . . 119 LEU HD1 . 27832 1 138 . 1 1 119 119 LEU HD12 H 1 0.75 0.01 . 2 . . . . . 119 LEU HD1 . 27832 1 139 . 1 1 119 119 LEU HD13 H 1 0.75 0.01 . 2 . . . . . 119 LEU HD1 . 27832 1 140 . 1 1 119 119 LEU HD21 H 1 0.774 0.01 . 2 . . . . . 119 LEU HD2 . 27832 1 141 . 1 1 119 119 LEU HD22 H 1 0.774 0.01 . 2 . . . . . 119 LEU HD2 . 27832 1 142 . 1 1 119 119 LEU HD23 H 1 0.774 0.01 . 2 . . . . . 119 LEU HD2 . 27832 1 143 . 1 1 119 119 LEU CD1 C 13 22.696 0.04 . 2 . . . . . 119 LEU CD1 . 27832 1 144 . 1 1 119 119 LEU CD2 C 13 27.374 0.04 . 2 . . . . . 119 LEU CD2 . 27832 1 145 . 1 1 127 127 VAL HG11 H 1 0.799 0.01 . 2 . . . . . 127 VAL HG1 . 27832 1 146 . 1 1 127 127 VAL HG12 H 1 0.799 0.01 . 2 . . . . . 127 VAL HG1 . 27832 1 147 . 1 1 127 127 VAL HG13 H 1 0.799 0.01 . 2 . . . . . 127 VAL HG1 . 27832 1 148 . 1 1 127 127 VAL CG1 C 13 24.428 0.04 . 2 . . . . . 127 VAL CG1 . 27832 1 149 . 1 1 129 129 ILE HD11 H 1 0.666 0.01 . 1 . . . . . 129 ILE HD1 . 27832 1 150 . 1 1 129 129 ILE HD12 H 1 0.666 0.01 . 1 . . . . . 129 ILE HD1 . 27832 1 151 . 1 1 129 129 ILE HD13 H 1 0.666 0.01 . 1 . . . . . 129 ILE HD1 . 27832 1 152 . 1 1 129 129 ILE CD1 C 13 13.723 0.04 . 1 . . . . . 129 ILE CD1 . 27832 1 153 . 1 1 134 134 ILE HD11 H 1 0.686 0.01 . 1 . . . . . 134 ILE HD1 . 27832 1 154 . 1 1 134 134 ILE HD12 H 1 0.686 0.01 . 1 . . . . . 134 ILE HD1 . 27832 1 155 . 1 1 134 134 ILE HD13 H 1 0.686 0.01 . 1 . . . . . 134 ILE HD1 . 27832 1 156 . 1 1 134 134 ILE CD1 C 13 9.028 0.04 . 1 . . . . . 134 ILE CD1 . 27832 1 157 . 1 1 137 137 VAL HG11 H 1 0.897 0.01 . 2 . . . . . 137 VAL HG1 . 27832 1 158 . 1 1 137 137 VAL HG12 H 1 0.897 0.01 . 2 . . . . . 137 VAL HG1 . 27832 1 159 . 1 1 137 137 VAL HG13 H 1 0.897 0.01 . 2 . . . . . 137 VAL HG1 . 27832 1 160 . 1 1 137 137 VAL HG21 H 1 0.965 0.01 . 2 . . . . . 137 VAL HG2 . 27832 1 161 . 1 1 137 137 VAL HG22 H 1 0.965 0.01 . 2 . . . . . 137 VAL HG2 . 27832 1 162 . 1 1 137 137 VAL HG23 H 1 0.965 0.01 . 2 . . . . . 137 VAL HG2 . 27832 1 163 . 1 1 137 137 VAL CG1 C 13 19.885 0.04 . 2 . . . . . 137 VAL CG1 . 27832 1 164 . 1 1 137 137 VAL CG2 C 13 22.136 0.04 . 2 . . . . . 137 VAL CG2 . 27832 1 165 . 1 1 140 140 VAL HG11 H 1 0.967 0.01 . 2 . . . . . 140 VAL HG1 . 27832 1 166 . 1 1 140 140 VAL HG12 H 1 0.967 0.01 . 2 . . . . . 140 VAL HG1 . 27832 1 167 . 1 1 140 140 VAL HG13 H 1 0.967 0.01 . 2 . . . . . 140 VAL HG1 . 27832 1 168 . 1 1 140 140 VAL HG21 H 1 1.036 0.01 . 2 . . . . . 140 VAL HG2 . 27832 1 169 . 1 1 140 140 VAL HG22 H 1 1.036 0.01 . 2 . . . . . 140 VAL HG2 . 27832 1 170 . 1 1 140 140 VAL HG23 H 1 1.036 0.01 . 2 . . . . . 140 VAL HG2 . 27832 1 171 . 1 1 140 140 VAL CG1 C 13 21.536 0.04 . 2 . . . . . 140 VAL CG1 . 27832 1 172 . 1 1 140 140 VAL CG2 C 13 24.302 0.04 . 2 . . . . . 140 VAL CG2 . 27832 1 173 . 1 1 146 146 ILE HD11 H 1 0.98 0.01 . 1 . . . . . 146 ILE HD1 . 27832 1 174 . 1 1 146 146 ILE HD12 H 1 0.98 0.01 . 1 . . . . . 146 ILE HD1 . 27832 1 175 . 1 1 146 146 ILE HD13 H 1 0.98 0.01 . 1 . . . . . 146 ILE HD1 . 27832 1 176 . 1 1 146 146 ILE CD1 C 13 13.236 0.04 . 1 . . . . . 146 ILE CD1 . 27832 1 177 . 1 1 147 147 LEU HD11 H 1 0.649 0.01 . 2 . . . . . 147 LEU HD1 . 27832 1 178 . 1 1 147 147 LEU HD12 H 1 0.649 0.01 . 2 . . . . . 147 LEU HD1 . 27832 1 179 . 1 1 147 147 LEU HD13 H 1 0.649 0.01 . 2 . . . . . 147 LEU HD1 . 27832 1 180 . 1 1 147 147 LEU CD1 C 13 21.928 0.04 . 2 . . . . . 147 LEU CD1 . 27832 1 181 . 1 1 150 150 VAL HG11 H 1 0.713 0.01 . 2 . . . . . 150 VAL HG1 . 27832 1 182 . 1 1 150 150 VAL HG12 H 1 0.713 0.01 . 2 . . . . . 150 VAL HG1 . 27832 1 183 . 1 1 150 150 VAL HG13 H 1 0.713 0.01 . 2 . . . . . 150 VAL HG1 . 27832 1 184 . 1 1 150 150 VAL HG21 H 1 0.974 0.01 . 2 . . . . . 150 VAL HG2 . 27832 1 185 . 1 1 150 150 VAL HG22 H 1 0.974 0.01 . 2 . . . . . 150 VAL HG2 . 27832 1 186 . 1 1 150 150 VAL HG23 H 1 0.974 0.01 . 2 . . . . . 150 VAL HG2 . 27832 1 187 . 1 1 150 150 VAL CG1 C 13 22.435 0.04 . 2 . . . . . 150 VAL CG1 . 27832 1 188 . 1 1 150 150 VAL CG2 C 13 23.249 0.04 . 2 . . . . . 150 VAL CG2 . 27832 1 189 . 1 1 154 154 LEU HD11 H 1 0.439 0.01 . 2 . . . . . 154 LEU HD1 . 27832 1 190 . 1 1 154 154 LEU HD12 H 1 0.439 0.01 . 2 . . . . . 154 LEU HD1 . 27832 1 191 . 1 1 154 154 LEU HD13 H 1 0.439 0.01 . 2 . . . . . 154 LEU HD1 . 27832 1 192 . 1 1 154 154 LEU CD1 C 13 27.231 0.04 . 2 . . . . . 154 LEU CD1 . 27832 1 193 . 1 1 165 165 ILE HD11 H 1 0.853 0.01 . 1 . . . . . 165 ILE HD1 . 27832 1 194 . 1 1 165 165 ILE HD12 H 1 0.853 0.01 . 1 . . . . . 165 ILE HD1 . 27832 1 195 . 1 1 165 165 ILE HD13 H 1 0.853 0.01 . 1 . . . . . 165 ILE HD1 . 27832 1 196 . 1 1 165 165 ILE CD1 C 13 14.929 0.04 . 1 . . . . . 165 ILE CD1 . 27832 1 197 . 1 1 167 167 VAL HG11 H 1 0.65 0.01 . 2 . . . . . 167 VAL HG1 . 27832 1 198 . 1 1 167 167 VAL HG12 H 1 0.65 0.01 . 2 . . . . . 167 VAL HG1 . 27832 1 199 . 1 1 167 167 VAL HG13 H 1 0.65 0.01 . 2 . . . . . 167 VAL HG1 . 27832 1 200 . 1 1 167 167 VAL HG21 H 1 0.745 0.01 . 2 . . . . . 167 VAL HG2 . 27832 1 201 . 1 1 167 167 VAL HG22 H 1 0.745 0.01 . 2 . . . . . 167 VAL HG2 . 27832 1 202 . 1 1 167 167 VAL HG23 H 1 0.745 0.01 . 2 . . . . . 167 VAL HG2 . 27832 1 203 . 1 1 167 167 VAL CG1 C 13 20.758 0.04 . 2 . . . . . 167 VAL CG1 . 27832 1 204 . 1 1 167 167 VAL CG2 C 13 21.18 0.04 . 2 . . . . . 167 VAL CG2 . 27832 1 205 . 1 1 169 169 ILE HD11 H 1 0.825 0.01 . 1 . . . . . 169 ILE HD1 . 27832 1 206 . 1 1 169 169 ILE HD12 H 1 0.825 0.01 . 1 . . . . . 169 ILE HD1 . 27832 1 207 . 1 1 169 169 ILE HD13 H 1 0.825 0.01 . 1 . . . . . 169 ILE HD1 . 27832 1 208 . 1 1 169 169 ILE CD1 C 13 15.399 0.04 . 1 . . . . . 169 ILE CD1 . 27832 1 209 . 1 1 171 171 VAL HG11 H 1 0.768 0.01 . 2 . . . . . 171 VAL HG1 . 27832 1 210 . 1 1 171 171 VAL HG12 H 1 0.768 0.01 . 2 . . . . . 171 VAL HG1 . 27832 1 211 . 1 1 171 171 VAL HG13 H 1 0.768 0.01 . 2 . . . . . 171 VAL HG1 . 27832 1 212 . 1 1 171 171 VAL HG21 H 1 0.854 0.01 . 2 . . . . . 171 VAL HG2 . 27832 1 213 . 1 1 171 171 VAL HG22 H 1 0.854 0.01 . 2 . . . . . 171 VAL HG2 . 27832 1 214 . 1 1 171 171 VAL HG23 H 1 0.854 0.01 . 2 . . . . . 171 VAL HG2 . 27832 1 215 . 1 1 171 171 VAL CG1 C 13 20.98 0.04 . 2 . . . . . 171 VAL CG1 . 27832 1 216 . 1 1 171 171 VAL CG2 C 13 21.855 0.04 . 2 . . . . . 171 VAL CG2 . 27832 1 217 . 1 1 178 178 VAL HG11 H 1 0.9 0.01 . 2 . . . . . 178 VAL HG1 . 27832 1 218 . 1 1 178 178 VAL HG12 H 1 0.9 0.01 . 2 . . . . . 178 VAL HG1 . 27832 1 219 . 1 1 178 178 VAL HG13 H 1 0.9 0.01 . 2 . . . . . 178 VAL HG1 . 27832 1 220 . 1 1 178 178 VAL HG21 H 1 1.013 0.01 . 2 . . . . . 178 VAL HG2 . 27832 1 221 . 1 1 178 178 VAL HG22 H 1 1.013 0.01 . 2 . . . . . 178 VAL HG2 . 27832 1 222 . 1 1 178 178 VAL HG23 H 1 1.013 0.01 . 2 . . . . . 178 VAL HG2 . 27832 1 223 . 1 1 178 178 VAL CG1 C 13 22.44 0.04 . 2 . . . . . 178 VAL CG1 . 27832 1 224 . 1 1 178 178 VAL CG2 C 13 22.612 0.04 . 2 . . . . . 178 VAL CG2 . 27832 1 225 . 1 1 182 182 ILE HD11 H 1 0.866 0.01 . 1 . . . . . 182 ILE HD1 . 27832 1 226 . 1 1 182 182 ILE HD12 H 1 0.866 0.01 . 1 . . . . . 182 ILE HD1 . 27832 1 227 . 1 1 182 182 ILE HD13 H 1 0.866 0.01 . 1 . . . . . 182 ILE HD1 . 27832 1 228 . 1 1 182 182 ILE CD1 C 13 12.645 0.04 . 1 . . . . . 182 ILE CD1 . 27832 1 229 . 1 1 183 183 LEU HD11 H 1 0.737 0.01 . 2 . . . . . 183 LEU HD1 . 27832 1 230 . 1 1 183 183 LEU HD12 H 1 0.737 0.01 . 2 . . . . . 183 LEU HD1 . 27832 1 231 . 1 1 183 183 LEU HD13 H 1 0.737 0.01 . 2 . . . . . 183 LEU HD1 . 27832 1 232 . 1 1 183 183 LEU CD1 C 13 23.983 0.04 . 2 . . . . . 183 LEU CD1 . 27832 1 233 . 1 1 187 187 VAL HG11 H 1 0.017 0.01 . 2 . . . . . 187 VAL HG1 . 27832 1 234 . 1 1 187 187 VAL HG12 H 1 0.017 0.01 . 2 . . . . . 187 VAL HG1 . 27832 1 235 . 1 1 187 187 VAL HG13 H 1 0.017 0.01 . 2 . . . . . 187 VAL HG1 . 27832 1 236 . 1 1 187 187 VAL HG21 H 1 0.763 0.01 . 2 . . . . . 187 VAL HG2 . 27832 1 237 . 1 1 187 187 VAL HG22 H 1 0.763 0.01 . 2 . . . . . 187 VAL HG2 . 27832 1 238 . 1 1 187 187 VAL HG23 H 1 0.763 0.01 . 2 . . . . . 187 VAL HG2 . 27832 1 239 . 1 1 187 187 VAL CG1 C 13 17.256 0.04 . 2 . . . . . 187 VAL CG1 . 27832 1 240 . 1 1 187 187 VAL CG2 C 13 21.964 0.04 . 2 . . . . . 187 VAL CG2 . 27832 1 241 . 1 1 192 192 ILE HD11 H 1 0.826 0.01 . 1 . . . . . 192 ILE HD1 . 27832 1 242 . 1 1 192 192 ILE HD12 H 1 0.826 0.01 . 1 . . . . . 192 ILE HD1 . 27832 1 243 . 1 1 192 192 ILE HD13 H 1 0.826 0.01 . 1 . . . . . 192 ILE HD1 . 27832 1 244 . 1 1 192 192 ILE CD1 C 13 14.745 0.04 . 1 . . . . . 192 ILE CD1 . 27832 1 245 . 1 1 202 202 LEU HD11 H 1 0.472 0.01 . 2 . . . . . 202 LEU HD1 . 27832 1 246 . 1 1 202 202 LEU HD12 H 1 0.472 0.01 . 2 . . . . . 202 LEU HD1 . 27832 1 247 . 1 1 202 202 LEU HD13 H 1 0.472 0.01 . 2 . . . . . 202 LEU HD1 . 27832 1 248 . 1 1 202 202 LEU CD1 C 13 22.355 0.04 . 2 . . . . . 202 LEU CD1 . 27832 1 249 . 1 1 204 204 VAL HG11 H 1 0.821 0.01 . 2 . . . . . 204 VAL HG1 . 27832 1 250 . 1 1 204 204 VAL HG12 H 1 0.821 0.01 . 2 . . . . . 204 VAL HG1 . 27832 1 251 . 1 1 204 204 VAL HG13 H 1 0.821 0.01 . 2 . . . . . 204 VAL HG1 . 27832 1 252 . 1 1 204 204 VAL HG21 H 1 0.889 0.01 . 2 . . . . . 204 VAL HG2 . 27832 1 253 . 1 1 204 204 VAL HG22 H 1 0.889 0.01 . 2 . . . . . 204 VAL HG2 . 27832 1 254 . 1 1 204 204 VAL HG23 H 1 0.889 0.01 . 2 . . . . . 204 VAL HG2 . 27832 1 255 . 1 1 204 204 VAL CG1 C 13 21.345 0.04 . 2 . . . . . 204 VAL CG1 . 27832 1 256 . 1 1 204 204 VAL CG2 C 13 22.852 0.04 . 2 . . . . . 204 VAL CG2 . 27832 1 257 . 1 1 211 211 VAL HG11 H 1 0.826 0.01 . 2 . . . . . 211 VAL HG1 . 27832 1 258 . 1 1 211 211 VAL HG12 H 1 0.826 0.01 . 2 . . . . . 211 VAL HG1 . 27832 1 259 . 1 1 211 211 VAL HG13 H 1 0.826 0.01 . 2 . . . . . 211 VAL HG1 . 27832 1 260 . 1 1 211 211 VAL HG21 H 1 0.975 0.01 . 2 . . . . . 211 VAL HG2 . 27832 1 261 . 1 1 211 211 VAL HG22 H 1 0.975 0.01 . 2 . . . . . 211 VAL HG2 . 27832 1 262 . 1 1 211 211 VAL HG23 H 1 0.975 0.01 . 2 . . . . . 211 VAL HG2 . 27832 1 263 . 1 1 211 211 VAL CG1 C 13 19.086 0.04 . 2 . . . . . 211 VAL CG1 . 27832 1 264 . 1 1 211 211 VAL CG2 C 13 22.181 0.04 . 2 . . . . . 211 VAL CG2 . 27832 1 265 . 1 1 222 222 ILE HD11 H 1 0.673 0.01 . 1 . . . . . 222 ILE HD1 . 27832 1 266 . 1 1 222 222 ILE HD12 H 1 0.673 0.01 . 1 . . . . . 222 ILE HD1 . 27832 1 267 . 1 1 222 222 ILE HD13 H 1 0.673 0.01 . 1 . . . . . 222 ILE HD1 . 27832 1 268 . 1 1 222 222 ILE CD1 C 13 11.168 0.04 . 1 . . . . . 222 ILE CD1 . 27832 1 269 . 1 1 223 223 LEU HD11 H 1 0.585 0.01 . 2 . . . . . 223 LEU HD1 . 27832 1 270 . 1 1 223 223 LEU HD12 H 1 0.585 0.01 . 2 . . . . . 223 LEU HD1 . 27832 1 271 . 1 1 223 223 LEU HD13 H 1 0.585 0.01 . 2 . . . . . 223 LEU HD1 . 27832 1 272 . 1 1 223 223 LEU HD21 H 1 0.8 0.01 . 2 . . . . . 223 LEU HD2 . 27832 1 273 . 1 1 223 223 LEU HD22 H 1 0.8 0.01 . 2 . . . . . 223 LEU HD2 . 27832 1 274 . 1 1 223 223 LEU HD23 H 1 0.8 0.01 . 2 . . . . . 223 LEU HD2 . 27832 1 275 . 1 1 223 223 LEU CD1 C 13 21.717 0.04 . 2 . . . . . 223 LEU CD1 . 27832 1 276 . 1 1 223 223 LEU CD2 C 13 24.528 0.04 . 2 . . . . . 223 LEU CD2 . 27832 1 277 . 1 1 230 230 ILE HD11 H 1 0.46 0.01 . 1 . . . . . 230 ILE HD1 . 27832 1 278 . 1 1 230 230 ILE HD12 H 1 0.46 0.01 . 1 . . . . . 230 ILE HD1 . 27832 1 279 . 1 1 230 230 ILE HD13 H 1 0.46 0.01 . 1 . . . . . 230 ILE HD1 . 27832 1 280 . 1 1 230 230 ILE CD1 C 13 15.597 0.04 . 1 . . . . . 230 ILE CD1 . 27832 1 281 . 1 1 251 251 LEU HD11 H 1 0.705 0.01 . 2 . . . . . 251 LEU HD1 . 27832 1 282 . 1 1 251 251 LEU HD12 H 1 0.705 0.01 . 2 . . . . . 251 LEU HD1 . 27832 1 283 . 1 1 251 251 LEU HD13 H 1 0.705 0.01 . 2 . . . . . 251 LEU HD1 . 27832 1 284 . 1 1 251 251 LEU HD21 H 1 0.87 0.01 . 2 . . . . . 251 LEU HD2 . 27832 1 285 . 1 1 251 251 LEU HD22 H 1 0.87 0.01 . 2 . . . . . 251 LEU HD2 . 27832 1 286 . 1 1 251 251 LEU HD23 H 1 0.87 0.01 . 2 . . . . . 251 LEU HD2 . 27832 1 287 . 1 1 251 251 LEU CD1 C 13 23.25 0.04 . 2 . . . . . 251 LEU CD1 . 27832 1 288 . 1 1 251 251 LEU CD2 C 13 25.221 0.04 . 2 . . . . . 251 LEU CD2 . 27832 1 289 . 1 1 254 254 VAL HG11 H 1 0.854 0.01 . 2 . . . . . 254 VAL HG1 . 27832 1 290 . 1 1 254 254 VAL HG12 H 1 0.854 0.01 . 2 . . . . . 254 VAL HG1 . 27832 1 291 . 1 1 254 254 VAL HG13 H 1 0.854 0.01 . 2 . . . . . 254 VAL HG1 . 27832 1 292 . 1 1 254 254 VAL HG21 H 1 0.917 0.01 . 2 . . . . . 254 VAL HG2 . 27832 1 293 . 1 1 254 254 VAL HG22 H 1 0.917 0.01 . 2 . . . . . 254 VAL HG2 . 27832 1 294 . 1 1 254 254 VAL HG23 H 1 0.917 0.01 . 2 . . . . . 254 VAL HG2 . 27832 1 295 . 1 1 254 254 VAL CG1 C 13 21.855 0.04 . 2 . . . . . 254 VAL CG1 . 27832 1 296 . 1 1 254 254 VAL CG2 C 13 23.749 0.04 . 2 . . . . . 254 VAL CG2 . 27832 1 297 . 1 1 255 255 ILE HD11 H 1 0.801 0.01 . 1 . . . . . 255 ILE HD1 . 27832 1 298 . 1 1 255 255 ILE HD12 H 1 0.801 0.01 . 1 . . . . . 255 ILE HD1 . 27832 1 299 . 1 1 255 255 ILE HD13 H 1 0.801 0.01 . 1 . . . . . 255 ILE HD1 . 27832 1 300 . 1 1 255 255 ILE CD1 C 13 13.795 0.04 . 1 . . . . . 255 ILE CD1 . 27832 1 301 . 1 1 256 256 LEU HD11 H 1 0.584 0.01 . 2 . . . . . 256 LEU HD1 . 27832 1 302 . 1 1 256 256 LEU HD12 H 1 0.584 0.01 . 2 . . . . . 256 LEU HD1 . 27832 1 303 . 1 1 256 256 LEU HD13 H 1 0.584 0.01 . 2 . . . . . 256 LEU HD1 . 27832 1 304 . 1 1 256 256 LEU CD1 C 13 22.068 0.04 . 2 . . . . . 256 LEU CD1 . 27832 1 305 . 1 1 257 257 LEU HD11 H 1 0.937 0.01 . 2 . . . . . 257 LEU HD1 . 27832 1 306 . 1 1 257 257 LEU HD12 H 1 0.937 0.01 . 2 . . . . . 257 LEU HD1 . 27832 1 307 . 1 1 257 257 LEU HD13 H 1 0.937 0.01 . 2 . . . . . 257 LEU HD1 . 27832 1 308 . 1 1 257 257 LEU CD1 C 13 23.351 0.04 . 2 . . . . . 257 LEU CD1 . 27832 1 309 . 1 1 259 259 LEU HD11 H 1 0.655 0.01 . 2 . . . . . 259 LEU HD1 . 27832 1 310 . 1 1 259 259 LEU HD12 H 1 0.655 0.01 . 2 . . . . . 259 LEU HD1 . 27832 1 311 . 1 1 259 259 LEU HD13 H 1 0.655 0.01 . 2 . . . . . 259 LEU HD1 . 27832 1 312 . 1 1 259 259 LEU HD21 H 1 0.775 0.01 . 2 . . . . . 259 LEU HD2 . 27832 1 313 . 1 1 259 259 LEU HD22 H 1 0.775 0.01 . 2 . . . . . 259 LEU HD2 . 27832 1 314 . 1 1 259 259 LEU HD23 H 1 0.775 0.01 . 2 . . . . . 259 LEU HD2 . 27832 1 315 . 1 1 259 259 LEU CD1 C 13 22.826 0.04 . 2 . . . . . 259 LEU CD1 . 27832 1 316 . 1 1 259 259 LEU CD2 C 13 25.98 0.04 . 2 . . . . . 259 LEU CD2 . 27832 1 317 . 1 1 261 261 LEU HD11 H 1 0.538 0.01 . 2 . . . . . 261 LEU HD1 . 27832 1 318 . 1 1 261 261 LEU HD12 H 1 0.538 0.01 . 2 . . . . . 261 LEU HD1 . 27832 1 319 . 1 1 261 261 LEU HD13 H 1 0.538 0.01 . 2 . . . . . 261 LEU HD1 . 27832 1 320 . 1 1 261 261 LEU CD1 C 13 23.795 0.04 . 2 . . . . . 261 LEU CD1 . 27832 1 321 . 1 1 271 271 ILE HD11 H 1 0.69 0.01 . 1 . . . . . 271 ILE HD1 . 27832 1 322 . 1 1 271 271 ILE HD12 H 1 0.69 0.01 . 1 . . . . . 271 ILE HD1 . 27832 1 323 . 1 1 271 271 ILE HD13 H 1 0.69 0.01 . 1 . . . . . 271 ILE HD1 . 27832 1 324 . 1 1 271 271 ILE CD1 C 13 13.201 0.04 . 1 . . . . . 271 ILE CD1 . 27832 1 325 . 1 1 274 274 ILE HD11 H 1 0.434 0.01 . 1 . . . . . 274 ILE HD1 . 27832 1 326 . 1 1 274 274 ILE HD12 H 1 0.434 0.01 . 1 . . . . . 274 ILE HD1 . 27832 1 327 . 1 1 274 274 ILE HD13 H 1 0.434 0.01 . 1 . . . . . 274 ILE HD1 . 27832 1 328 . 1 1 274 274 ILE CD1 C 13 7.756 0.04 . 1 . . . . . 274 ILE CD1 . 27832 1 329 . 1 1 277 277 ILE HD11 H 1 0.858 0.01 . 1 . . . . . 277 ILE HD1 . 27832 1 330 . 1 1 277 277 ILE HD12 H 1 0.858 0.01 . 1 . . . . . 277 ILE HD1 . 27832 1 331 . 1 1 277 277 ILE HD13 H 1 0.858 0.01 . 1 . . . . . 277 ILE HD1 . 27832 1 332 . 1 1 277 277 ILE CD1 C 13 13.055 0.04 . 1 . . . . . 277 ILE CD1 . 27832 1 333 . 1 1 278 278 ILE HD11 H 1 0.298 0.01 . 1 . . . . . 278 ILE HD1 . 27832 1 334 . 1 1 278 278 ILE HD12 H 1 0.298 0.01 . 1 . . . . . 278 ILE HD1 . 27832 1 335 . 1 1 278 278 ILE HD13 H 1 0.298 0.01 . 1 . . . . . 278 ILE HD1 . 27832 1 336 . 1 1 278 278 ILE CD1 C 13 12.103 0.04 . 1 . . . . . 278 ILE CD1 . 27832 1 337 . 1 1 281 281 VAL HG11 H 1 0.863 0.01 . 2 . . . . . 281 VAL HG1 . 27832 1 338 . 1 1 281 281 VAL HG12 H 1 0.863 0.01 . 2 . . . . . 281 VAL HG1 . 27832 1 339 . 1 1 281 281 VAL HG13 H 1 0.863 0.01 . 2 . . . . . 281 VAL HG1 . 27832 1 340 . 1 1 281 281 VAL HG21 H 1 0.929 0.01 . 2 . . . . . 281 VAL HG2 . 27832 1 341 . 1 1 281 281 VAL HG22 H 1 0.929 0.01 . 2 . . . . . 281 VAL HG2 . 27832 1 342 . 1 1 281 281 VAL HG23 H 1 0.929 0.01 . 2 . . . . . 281 VAL HG2 . 27832 1 343 . 1 1 281 281 VAL CG1 C 13 20.634 0.04 . 2 . . . . . 281 VAL CG1 . 27832 1 344 . 1 1 281 281 VAL CG2 C 13 21.818 0.04 . 2 . . . . . 281 VAL CG2 . 27832 1 345 . 1 1 289 289 ILE HD11 H 1 0.712 0.01 . 1 . . . . . 289 ILE HD1 . 27832 1 346 . 1 1 289 289 ILE HD12 H 1 0.712 0.01 . 1 . . . . . 289 ILE HD1 . 27832 1 347 . 1 1 289 289 ILE HD13 H 1 0.712 0.01 . 1 . . . . . 289 ILE HD1 . 27832 1 348 . 1 1 289 289 ILE CD1 C 13 12.787 0.04 . 1 . . . . . 289 ILE CD1 . 27832 1 349 . 1 1 294 294 LEU HD11 H 1 0.733 0.01 . 2 . . . . . 294 LEU HD1 . 27832 1 350 . 1 1 294 294 LEU HD12 H 1 0.733 0.01 . 2 . . . . . 294 LEU HD1 . 27832 1 351 . 1 1 294 294 LEU HD13 H 1 0.733 0.01 . 2 . . . . . 294 LEU HD1 . 27832 1 352 . 1 1 294 294 LEU HD21 H 1 0.789 0.01 . 2 . . . . . 294 LEU HD2 . 27832 1 353 . 1 1 294 294 LEU HD22 H 1 0.789 0.01 . 2 . . . . . 294 LEU HD2 . 27832 1 354 . 1 1 294 294 LEU HD23 H 1 0.789 0.01 . 2 . . . . . 294 LEU HD2 . 27832 1 355 . 1 1 294 294 LEU CD1 C 13 23.639 0.04 . 2 . . . . . 294 LEU CD1 . 27832 1 356 . 1 1 294 294 LEU CD2 C 13 25.495 0.04 . 2 . . . . . 294 LEU CD2 . 27832 1 357 . 1 1 302 302 ILE HD11 H 1 0.947 0.01 . 1 . . . . . 302 ILE HD1 . 27832 1 358 . 1 1 302 302 ILE HD12 H 1 0.947 0.01 . 1 . . . . . 302 ILE HD1 . 27832 1 359 . 1 1 302 302 ILE HD13 H 1 0.947 0.01 . 1 . . . . . 302 ILE HD1 . 27832 1 360 . 1 1 302 302 ILE CD1 C 13 13.367 0.04 . 1 . . . . . 302 ILE CD1 . 27832 1 361 . 1 1 309 309 VAL HG11 H 1 0.901 0.01 . 2 . . . . . 309 VAL HG1 . 27832 1 362 . 1 1 309 309 VAL HG12 H 1 0.901 0.01 . 2 . . . . . 309 VAL HG1 . 27832 1 363 . 1 1 309 309 VAL HG13 H 1 0.901 0.01 . 2 . . . . . 309 VAL HG1 . 27832 1 364 . 1 1 309 309 VAL HG21 H 1 1.088 0.01 . 2 . . . . . 309 VAL HG2 . 27832 1 365 . 1 1 309 309 VAL HG22 H 1 1.088 0.01 . 2 . . . . . 309 VAL HG2 . 27832 1 366 . 1 1 309 309 VAL HG23 H 1 1.088 0.01 . 2 . . . . . 309 VAL HG2 . 27832 1 367 . 1 1 309 309 VAL CG1 C 13 21.01 0.04 . 2 . . . . . 309 VAL CG1 . 27832 1 368 . 1 1 309 309 VAL CG2 C 13 22.621 0.04 . 2 . . . . . 309 VAL CG2 . 27832 1 369 . 1 1 310 310 ILE HD11 H 1 0.766 0.01 . 1 . . . . . 310 ILE HD1 . 27832 1 370 . 1 1 310 310 ILE HD12 H 1 0.766 0.01 . 1 . . . . . 310 ILE HD1 . 27832 1 371 . 1 1 310 310 ILE HD13 H 1 0.766 0.01 . 1 . . . . . 310 ILE HD1 . 27832 1 372 . 1 1 310 310 ILE CD1 C 13 13.023 0.04 . 1 . . . . . 310 ILE CD1 . 27832 1 373 . 1 1 313 313 ILE HD11 H 1 0.753 0.01 . 1 . . . . . 313 ILE HD1 . 27832 1 374 . 1 1 313 313 ILE HD12 H 1 0.753 0.01 . 1 . . . . . 313 ILE HD1 . 27832 1 375 . 1 1 313 313 ILE HD13 H 1 0.753 0.01 . 1 . . . . . 313 ILE HD1 . 27832 1 376 . 1 1 313 313 ILE CD1 C 13 13.764 0.04 . 1 . . . . . 313 ILE CD1 . 27832 1 stop_ save_