data_52584 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52584 _Entry.Title ; Assignments of 2H13C15N labelled full length GlpG based on 1H detected solid-state NMR experiments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-14 _Entry.Accession_date 2024-08-14 _Entry.Last_release_date 2024-08-14 _Entry.Original_release_date 2024-08-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Carl Oster . . . 0000-0002-8723-4533 52584 2 Veniamin Chevelkov . . . 0000-0002-7615-3535 52584 3 Adam Lange . . . 0000-0002-7534-5973 52584 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Leibniz-Forschungsinstitut fur Molekulare Pharmakologie' . 52584 2 . 'Humboldt-Universitat zu Berlin' . 52584 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52584 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 383 52584 '15N chemical shifts' 120 52584 '1H chemical shifts' 120 52584 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-08-16 . original BMRB . 52584 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52584 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Evaluation of TOCSY mixing for sensitivity-enhancement in solid-state NMR and application of 4D experiments for side-chain assignments of the full-length 30 kDa membrane protein GlpG ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Carl Oster . . . . 52584 1 2 Veniamin Chevelkov . . . . 52584 1 3 Adam Lange . . . . 52584 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52584 _Assembly.ID 1 _Assembly.Name GlpG _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 GlpG 1 $entity_1 . . yes native no no . . . 52584 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52584 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MGSSHHHHHHSSGLVPRGSH MLMITSFANPRVAQAFVDYM ATQGVILTIQQHNQSDVWLA DESQAERVRAELARFLENPA DPRYLAASWQAGHTGSGLHY RRYPFFAALRERAGPVTWVM MIACVVVFIAMQILGDQEVM LWLAWPFDPTLKFEFWRYFT HALMHFSLMHILFNLLWWWY LGGAVEKRLGSGKLIVITLI SALLSGYVQQKFSGPWFGGL SGVVYALMGYVWLRGERDPQ SGIYLQRGLIIFALIWIVAG WFDLFGMSMANGAHIAGLAV GLAMAFVDSLNARKRK ; _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 296 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 -19 MET . 52584 1 2 -18 GLY . 52584 1 3 -17 SER . 52584 1 4 -16 SER . 52584 1 5 -15 HIS . 52584 1 6 -14 HIS . 52584 1 7 -13 HIS . 52584 1 8 -12 HIS . 52584 1 9 -11 HIS . 52584 1 10 -10 HIS . 52584 1 11 -9 SER . 52584 1 12 -8 SER . 52584 1 13 -7 GLY . 52584 1 14 -6 LEU . 52584 1 15 -5 VAL . 52584 1 16 -4 PRO . 52584 1 17 -3 ARG . 52584 1 18 -2 GLY . 52584 1 19 -1 SER . 52584 1 20 0 HIS . 52584 1 21 1 MET . 52584 1 22 2 LEU . 52584 1 23 3 MET . 52584 1 24 4 ILE . 52584 1 25 5 THR . 52584 1 26 6 SER . 52584 1 27 7 PHE . 52584 1 28 8 ALA . 52584 1 29 9 ASN . 52584 1 30 10 PRO . 52584 1 31 11 ARG . 52584 1 32 12 VAL . 52584 1 33 13 ALA . 52584 1 34 14 GLN . 52584 1 35 15 ALA . 52584 1 36 16 PHE . 52584 1 37 17 VAL . 52584 1 38 18 ASP . 52584 1 39 19 TYR . 52584 1 40 20 MET . 52584 1 41 21 ALA . 52584 1 42 22 THR . 52584 1 43 23 GLN . 52584 1 44 24 GLY . 52584 1 45 25 VAL . 52584 1 46 26 ILE . 52584 1 47 27 LEU . 52584 1 48 28 THR . 52584 1 49 29 ILE . 52584 1 50 30 GLN . 52584 1 51 31 GLN . 52584 1 52 32 HIS . 52584 1 53 33 ASN . 52584 1 54 34 GLN . 52584 1 55 35 SER . 52584 1 56 36 ASP . 52584 1 57 37 VAL . 52584 1 58 38 TRP . 52584 1 59 39 LEU . 52584 1 60 40 ALA . 52584 1 61 41 ASP . 52584 1 62 42 GLU . 52584 1 63 43 SER . 52584 1 64 44 GLN . 52584 1 65 45 ALA . 52584 1 66 46 GLU . 52584 1 67 47 ARG . 52584 1 68 48 VAL . 52584 1 69 49 ARG . 52584 1 70 50 ALA . 52584 1 71 51 GLU . 52584 1 72 52 LEU . 52584 1 73 53 ALA . 52584 1 74 54 ARG . 52584 1 75 55 PHE . 52584 1 76 56 LEU . 52584 1 77 57 GLU . 52584 1 78 58 ASN . 52584 1 79 59 PRO . 52584 1 80 60 ALA . 52584 1 81 61 ASP . 52584 1 82 62 PRO . 52584 1 83 63 ARG . 52584 1 84 64 TYR . 52584 1 85 65 LEU . 52584 1 86 66 ALA . 52584 1 87 67 ALA . 52584 1 88 68 SER . 52584 1 89 69 TRP . 52584 1 90 70 GLN . 52584 1 91 71 ALA . 52584 1 92 72 GLY . 52584 1 93 73 HIS . 52584 1 94 74 THR . 52584 1 95 75 GLY . 52584 1 96 76 SER . 52584 1 97 77 GLY . 52584 1 98 78 LEU . 52584 1 99 79 HIS . 52584 1 100 80 TYR . 52584 1 101 81 ARG . 52584 1 102 82 ARG . 52584 1 103 83 TYR . 52584 1 104 84 PRO . 52584 1 105 85 PHE . 52584 1 106 86 PHE . 52584 1 107 87 ALA . 52584 1 108 88 ALA . 52584 1 109 89 LEU . 52584 1 110 90 ARG . 52584 1 111 91 GLU . 52584 1 112 92 ARG . 52584 1 113 93 ALA . 52584 1 114 94 GLY . 52584 1 115 95 PRO . 52584 1 116 96 VAL . 52584 1 117 97 THR . 52584 1 118 98 TRP . 52584 1 119 99 VAL . 52584 1 120 100 MET . 52584 1 121 101 MET . 52584 1 122 102 ILE . 52584 1 123 103 ALA . 52584 1 124 104 CYS . 52584 1 125 105 VAL . 52584 1 126 106 VAL . 52584 1 127 107 VAL . 52584 1 128 108 PHE . 52584 1 129 109 ILE . 52584 1 130 110 ALA . 52584 1 131 111 MET . 52584 1 132 112 GLN . 52584 1 133 113 ILE . 52584 1 134 114 LEU . 52584 1 135 115 GLY . 52584 1 136 116 ASP . 52584 1 137 117 GLN . 52584 1 138 118 GLU . 52584 1 139 119 VAL . 52584 1 140 120 MET . 52584 1 141 121 LEU . 52584 1 142 122 TRP . 52584 1 143 123 LEU . 52584 1 144 124 ALA . 52584 1 145 125 TRP . 52584 1 146 126 PRO . 52584 1 147 127 PHE . 52584 1 148 128 ASP . 52584 1 149 129 PRO . 52584 1 150 130 THR . 52584 1 151 131 LEU . 52584 1 152 132 LYS . 52584 1 153 133 PHE . 52584 1 154 134 GLU . 52584 1 155 135 PHE . 52584 1 156 136 TRP . 52584 1 157 137 ARG . 52584 1 158 138 TYR . 52584 1 159 139 PHE . 52584 1 160 140 THR . 52584 1 161 141 HIS . 52584 1 162 142 ALA . 52584 1 163 143 LEU . 52584 1 164 144 MET . 52584 1 165 145 HIS . 52584 1 166 146 PHE . 52584 1 167 147 SER . 52584 1 168 148 LEU . 52584 1 169 149 MET . 52584 1 170 150 HIS . 52584 1 171 151 ILE . 52584 1 172 152 LEU . 52584 1 173 153 PHE . 52584 1 174 154 ASN . 52584 1 175 155 LEU . 52584 1 176 156 LEU . 52584 1 177 157 TRP . 52584 1 178 158 TRP . 52584 1 179 159 TRP . 52584 1 180 160 TYR . 52584 1 181 161 LEU . 52584 1 182 162 GLY . 52584 1 183 163 GLY . 52584 1 184 164 ALA . 52584 1 185 165 VAL . 52584 1 186 166 GLU . 52584 1 187 167 LYS . 52584 1 188 168 ARG . 52584 1 189 169 LEU . 52584 1 190 170 GLY . 52584 1 191 171 SER . 52584 1 192 172 GLY . 52584 1 193 173 LYS . 52584 1 194 174 LEU . 52584 1 195 175 ILE . 52584 1 196 176 VAL . 52584 1 197 177 ILE . 52584 1 198 178 THR . 52584 1 199 179 LEU . 52584 1 200 180 ILE . 52584 1 201 181 SER . 52584 1 202 182 ALA . 52584 1 203 183 LEU . 52584 1 204 184 LEU . 52584 1 205 185 SER . 52584 1 206 186 GLY . 52584 1 207 187 TYR . 52584 1 208 188 VAL . 52584 1 209 189 GLN . 52584 1 210 190 GLN . 52584 1 211 191 LYS . 52584 1 212 192 PHE . 52584 1 213 193 SER . 52584 1 214 194 GLY . 52584 1 215 195 PRO . 52584 1 216 196 TRP . 52584 1 217 197 PHE . 52584 1 218 198 GLY . 52584 1 219 199 GLY . 52584 1 220 200 LEU . 52584 1 221 201 SER . 52584 1 222 202 GLY . 52584 1 223 203 VAL . 52584 1 224 204 VAL . 52584 1 225 205 TYR . 52584 1 226 206 ALA . 52584 1 227 207 LEU . 52584 1 228 208 MET . 52584 1 229 209 GLY . 52584 1 230 210 TYR . 52584 1 231 211 VAL . 52584 1 232 212 TRP . 52584 1 233 213 LEU . 52584 1 234 214 ARG . 52584 1 235 215 GLY . 52584 1 236 216 GLU . 52584 1 237 217 ARG . 52584 1 238 218 ASP . 52584 1 239 219 PRO . 52584 1 240 220 GLN . 52584 1 241 221 SER . 52584 1 242 222 GLY . 52584 1 243 223 ILE . 52584 1 244 224 TYR . 52584 1 245 225 LEU . 52584 1 246 226 GLN . 52584 1 247 227 ARG . 52584 1 248 228 GLY . 52584 1 249 229 LEU . 52584 1 250 230 ILE . 52584 1 251 231 ILE . 52584 1 252 232 PHE . 52584 1 253 233 ALA . 52584 1 254 234 LEU . 52584 1 255 235 ILE . 52584 1 256 236 TRP . 52584 1 257 237 ILE . 52584 1 258 238 VAL . 52584 1 259 239 ALA . 52584 1 260 240 GLY . 52584 1 261 241 TRP . 52584 1 262 242 PHE . 52584 1 263 243 ASP . 52584 1 264 244 LEU . 52584 1 265 245 PHE . 52584 1 266 246 GLY . 52584 1 267 247 MET . 52584 1 268 248 SER . 52584 1 269 249 MET . 52584 1 270 250 ALA . 52584 1 271 251 ASN . 52584 1 272 252 GLY . 52584 1 273 253 ALA . 52584 1 274 254 HIS . 52584 1 275 255 ILE . 52584 1 276 256 ALA . 52584 1 277 257 GLY . 52584 1 278 258 LEU . 52584 1 279 259 ALA . 52584 1 280 260 VAL . 52584 1 281 261 GLY . 52584 1 282 262 LEU . 52584 1 283 263 ALA . 52584 1 284 264 MET . 52584 1 285 265 ALA . 52584 1 286 266 PHE . 52584 1 287 267 VAL . 52584 1 288 268 ASP . 52584 1 289 269 SER . 52584 1 290 270 LEU . 52584 1 291 271 ASN . 52584 1 292 272 ALA . 52584 1 293 273 ARG . 52584 1 294 274 LYS . 52584 1 295 275 ARG . 52584 1 296 276 LYS . 52584 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 52584 1 . GLY 2 2 52584 1 . SER 3 3 52584 1 . SER 4 4 52584 1 . HIS 5 5 52584 1 . HIS 6 6 52584 1 . HIS 7 7 52584 1 . HIS 8 8 52584 1 . HIS 9 9 52584 1 . HIS 10 10 52584 1 . SER 11 11 52584 1 . SER 12 12 52584 1 . GLY 13 13 52584 1 . LEU 14 14 52584 1 . VAL 15 15 52584 1 . PRO 16 16 52584 1 . ARG 17 17 52584 1 . GLY 18 18 52584 1 . SER 19 19 52584 1 . HIS 20 20 52584 1 . MET 21 21 52584 1 . LEU 22 22 52584 1 . MET 23 23 52584 1 . ILE 24 24 52584 1 . THR 25 25 52584 1 . SER 26 26 52584 1 . PHE 27 27 52584 1 . ALA 28 28 52584 1 . ASN 29 29 52584 1 . PRO 30 30 52584 1 . ARG 31 31 52584 1 . VAL 32 32 52584 1 . ALA 33 33 52584 1 . GLN 34 34 52584 1 . ALA 35 35 52584 1 . PHE 36 36 52584 1 . VAL 37 37 52584 1 . ASP 38 38 52584 1 . TYR 39 39 52584 1 . MET 40 40 52584 1 . ALA 41 41 52584 1 . THR 42 42 52584 1 . GLN 43 43 52584 1 . GLY 44 44 52584 1 . VAL 45 45 52584 1 . ILE 46 46 52584 1 . LEU 47 47 52584 1 . THR 48 48 52584 1 . ILE 49 49 52584 1 . GLN 50 50 52584 1 . GLN 51 51 52584 1 . HIS 52 52 52584 1 . ASN 53 53 52584 1 . GLN 54 54 52584 1 . SER 55 55 52584 1 . ASP 56 56 52584 1 . VAL 57 57 52584 1 . TRP 58 58 52584 1 . LEU 59 59 52584 1 . ALA 60 60 52584 1 . ASP 61 61 52584 1 . GLU 62 62 52584 1 . SER 63 63 52584 1 . GLN 64 64 52584 1 . ALA 65 65 52584 1 . GLU 66 66 52584 1 . ARG 67 67 52584 1 . VAL 68 68 52584 1 . ARG 69 69 52584 1 . ALA 70 70 52584 1 . GLU 71 71 52584 1 . LEU 72 72 52584 1 . ALA 73 73 52584 1 . ARG 74 74 52584 1 . PHE 75 75 52584 1 . LEU 76 76 52584 1 . GLU 77 77 52584 1 . ASN 78 78 52584 1 . PRO 79 79 52584 1 . ALA 80 80 52584 1 . ASP 81 81 52584 1 . PRO 82 82 52584 1 . ARG 83 83 52584 1 . TYR 84 84 52584 1 . LEU 85 85 52584 1 . ALA 86 86 52584 1 . ALA 87 87 52584 1 . SER 88 88 52584 1 . TRP 89 89 52584 1 . GLN 90 90 52584 1 . ALA 91 91 52584 1 . GLY 92 92 52584 1 . HIS 93 93 52584 1 . THR 94 94 52584 1 . GLY 95 95 52584 1 . SER 96 96 52584 1 . GLY 97 97 52584 1 . LEU 98 98 52584 1 . HIS 99 99 52584 1 . TYR 100 100 52584 1 . ARG 101 101 52584 1 . ARG 102 102 52584 1 . TYR 103 103 52584 1 . PRO 104 104 52584 1 . PHE 105 105 52584 1 . PHE 106 106 52584 1 . ALA 107 107 52584 1 . ALA 108 108 52584 1 . LEU 109 109 52584 1 . ARG 110 110 52584 1 . GLU 111 111 52584 1 . ARG 112 112 52584 1 . ALA 113 113 52584 1 . GLY 114 114 52584 1 . PRO 115 115 52584 1 . VAL 116 116 52584 1 . THR 117 117 52584 1 . TRP 118 118 52584 1 . VAL 119 119 52584 1 . MET 120 120 52584 1 . MET 121 121 52584 1 . ILE 122 122 52584 1 . ALA 123 123 52584 1 . CYS 124 124 52584 1 . VAL 125 125 52584 1 . VAL 126 126 52584 1 . VAL 127 127 52584 1 . PHE 128 128 52584 1 . ILE 129 129 52584 1 . ALA 130 130 52584 1 . MET 131 131 52584 1 . GLN 132 132 52584 1 . ILE 133 133 52584 1 . LEU 134 134 52584 1 . GLY 135 135 52584 1 . ASP 136 136 52584 1 . GLN 137 137 52584 1 . GLU 138 138 52584 1 . VAL 139 139 52584 1 . MET 140 140 52584 1 . LEU 141 141 52584 1 . TRP 142 142 52584 1 . LEU 143 143 52584 1 . ALA 144 144 52584 1 . TRP 145 145 52584 1 . PRO 146 146 52584 1 . PHE 147 147 52584 1 . ASP 148 148 52584 1 . PRO 149 149 52584 1 . THR 150 150 52584 1 . LEU 151 151 52584 1 . LYS 152 152 52584 1 . PHE 153 153 52584 1 . GLU 154 154 52584 1 . PHE 155 155 52584 1 . TRP 156 156 52584 1 . ARG 157 157 52584 1 . TYR 158 158 52584 1 . PHE 159 159 52584 1 . THR 160 160 52584 1 . HIS 161 161 52584 1 . ALA 162 162 52584 1 . LEU 163 163 52584 1 . MET 164 164 52584 1 . HIS 165 165 52584 1 . PHE 166 166 52584 1 . SER 167 167 52584 1 . LEU 168 168 52584 1 . MET 169 169 52584 1 . HIS 170 170 52584 1 . ILE 171 171 52584 1 . LEU 172 172 52584 1 . PHE 173 173 52584 1 . ASN 174 174 52584 1 . LEU 175 175 52584 1 . LEU 176 176 52584 1 . TRP 177 177 52584 1 . TRP 178 178 52584 1 . TRP 179 179 52584 1 . TYR 180 180 52584 1 . LEU 181 181 52584 1 . GLY 182 182 52584 1 . GLY 183 183 52584 1 . ALA 184 184 52584 1 . VAL 185 185 52584 1 . GLU 186 186 52584 1 . LYS 187 187 52584 1 . ARG 188 188 52584 1 . LEU 189 189 52584 1 . GLY 190 190 52584 1 . SER 191 191 52584 1 . GLY 192 192 52584 1 . LYS 193 193 52584 1 . LEU 194 194 52584 1 . ILE 195 195 52584 1 . VAL 196 196 52584 1 . ILE 197 197 52584 1 . THR 198 198 52584 1 . LEU 199 199 52584 1 . ILE 200 200 52584 1 . SER 201 201 52584 1 . ALA 202 202 52584 1 . LEU 203 203 52584 1 . LEU 204 204 52584 1 . SER 205 205 52584 1 . GLY 206 206 52584 1 . TYR 207 207 52584 1 . VAL 208 208 52584 1 . GLN 209 209 52584 1 . GLN 210 210 52584 1 . LYS 211 211 52584 1 . PHE 212 212 52584 1 . SER 213 213 52584 1 . GLY 214 214 52584 1 . PRO 215 215 52584 1 . TRP 216 216 52584 1 . PHE 217 217 52584 1 . GLY 218 218 52584 1 . GLY 219 219 52584 1 . LEU 220 220 52584 1 . SER 221 221 52584 1 . GLY 222 222 52584 1 . VAL 223 223 52584 1 . VAL 224 224 52584 1 . TYR 225 225 52584 1 . ALA 226 226 52584 1 . LEU 227 227 52584 1 . MET 228 228 52584 1 . GLY 229 229 52584 1 . TYR 230 230 52584 1 . VAL 231 231 52584 1 . TRP 232 232 52584 1 . LEU 233 233 52584 1 . ARG 234 234 52584 1 . GLY 235 235 52584 1 . GLU 236 236 52584 1 . ARG 237 237 52584 1 . ASP 238 238 52584 1 . PRO 239 239 52584 1 . GLN 240 240 52584 1 . SER 241 241 52584 1 . GLY 242 242 52584 1 . ILE 243 243 52584 1 . TYR 244 244 52584 1 . LEU 245 245 52584 1 . GLN 246 246 52584 1 . ARG 247 247 52584 1 . GLY 248 248 52584 1 . LEU 249 249 52584 1 . ILE 250 250 52584 1 . ILE 251 251 52584 1 . PHE 252 252 52584 1 . ALA 253 253 52584 1 . LEU 254 254 52584 1 . ILE 255 255 52584 1 . TRP 256 256 52584 1 . ILE 257 257 52584 1 . VAL 258 258 52584 1 . ALA 259 259 52584 1 . GLY 260 260 52584 1 . TRP 261 261 52584 1 . PHE 262 262 52584 1 . ASP 263 263 52584 1 . LEU 264 264 52584 1 . PHE 265 265 52584 1 . GLY 266 266 52584 1 . MET 267 267 52584 1 . SER 268 268 52584 1 . MET 269 269 52584 1 . ALA 270 270 52584 1 . ASN 271 271 52584 1 . GLY 272 272 52584 1 . ALA 273 273 52584 1 . HIS 274 274 52584 1 . ILE 275 275 52584 1 . ALA 276 276 52584 1 . GLY 277 277 52584 1 . LEU 278 278 52584 1 . ALA 279 279 52584 1 . VAL 280 280 52584 1 . GLY 281 281 52584 1 . LEU 282 282 52584 1 . ALA 283 283 52584 1 . MET 284 284 52584 1 . ALA 285 285 52584 1 . PHE 286 286 52584 1 . VAL 287 287 52584 1 . ASP 288 288 52584 1 . SER 289 289 52584 1 . LEU 290 290 52584 1 . ASN 291 291 52584 1 . ALA 292 292 52584 1 . ARG 293 293 52584 1 . LYS 294 294 52584 1 . ARG 295 295 52584 1 . LYS 296 296 52584 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52584 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52584 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52584 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET15b . . . 52584 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52584 _Sample.ID 1 _Sample.Name 'FL GlpG' _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system 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 GlpG '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . . . . mM . . . . 52584 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52584 1 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 52584 1 4 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 52584 1 5 DSS 'natural abundance' . . . . . . . . . mM . . . . 52584 1 6 'e. coli total lipid extract' 'natural abundance' . . . . . . 1/1 . . w/w . . . . 52584 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 52584 _Sample_condition_list.ID 1 _Sample_condition_list.Name Standard _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 7.4 . pH 52584 1 temperature 293 . K 52584 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52584 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52584 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52584 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52584 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D hCANH' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52584 1 2 '3D hCONH' no no no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52584 1 3 '4D hCOCANH' no yes no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52584 1 4 '4D hCACONH' no yes no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52584 1 5 '4D hCXCANH TOCSY' no yes no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52584 1 6 '4D hCXCAcoNH TOCSY' no yes no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52584 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52584 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'FL GlpG' _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52584 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52584 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52584 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52584 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FL GlpG' _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 $chem_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 hCANH' . . . 52584 1 2 '3D hCONH' . . . 52584 1 3 '4D hCOCANH' . . . 52584 1 4 '4D hCACONH' . . . 52584 1 5 '4D hCXCANH TOCSY' . . . 52584 1 6 '4D hCXCAcoNH TOCSY' . . . 52584 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52584 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 22 22 LEU H H 1 8.85 . . 1 . . . . . 2 LEU H . 52584 1 2 . 1 . 1 22 22 LEU C C 13 174.92 . . 1 . . . . . 2 LEU C . 52584 1 3 . 1 . 1 22 22 LEU CA C 13 53.55 . . 1 . . . . . 2 LEU CA . 52584 1 4 . 1 . 1 22 22 LEU CB C 13 44.84 . . 1 . . . . . 2 LEU CB . 52584 1 5 . 1 . 1 22 22 LEU N N 15 121.75 . . 1 . . . . . 2 LEU N . 52584 1 6 . 1 . 1 23 23 MET H H 1 8.76 . . 1 . . . . . 3 MET H . 52584 1 7 . 1 . 1 23 23 MET C C 13 175.78 . . 1 . . . . . 3 MET C . 52584 1 8 . 1 . 1 23 23 MET CA C 13 55.50 . . 1 . . . . . 3 MET CA . 52584 1 9 . 1 . 1 23 23 MET CB C 13 31.03 . . 1 . . . . . 3 MET CB . 52584 1 10 . 1 . 1 23 23 MET N N 15 128.95 . . 1 . . . . . 3 MET N . 52584 1 11 . 1 . 1 24 24 ILE H H 1 8.89 . . 1 . . . . . 4 ILE H . 52584 1 12 . 1 . 1 24 24 ILE C C 13 175.21 . . 1 . . . . . 4 ILE C . 52584 1 13 . 1 . 1 24 24 ILE CA C 13 59.48 . . 1 . . . . . 4 ILE CA . 52584 1 14 . 1 . 1 24 24 ILE CB C 13 35.81 . . 1 . . . . . 4 ILE CB . 52584 1 15 . 1 . 1 24 24 ILE N N 15 127.07 . . 1 . . . . . 4 ILE N . 52584 1 16 . 1 . 1 25 25 THR H H 1 7.26 . . 1 . . . . . 5 THR H . 52584 1 17 . 1 . 1 25 25 THR C C 13 170.31 . . 1 . . . . . 5 THR C . 52584 1 18 . 1 . 1 25 25 THR CA C 13 59.85 . . 1 . . . . . 5 THR CA . 52584 1 19 . 1 . 1 25 25 THR CB C 13 67.59 . . 1 . . . . . 5 THR CB . 52584 1 20 . 1 . 1 25 25 THR CG2 C 13 17.22 . . 1 . . . . . 5 THR CG . 52584 1 21 . 1 . 1 25 25 THR N N 15 109.18 . . 1 . . . . . 5 THR N . 52584 1 22 . 1 . 1 26 26 SER H H 1 7.74 . . 1 . . . . . 6 SER H . 52584 1 23 . 1 . 1 26 26 SER C C 13 173.06 . . 1 . . . . . 6 SER C . 52584 1 24 . 1 . 1 26 26 SER CA C 13 56.54 . . 1 . . . . . 6 SER CA . 52584 1 25 . 1 . 1 26 26 SER CB C 13 64.63 . . 1 . . . . . 6 SER CB . 52584 1 26 . 1 . 1 26 26 SER N N 15 115.60 . . 1 . . . . . 6 SER N . 52584 1 27 . 1 . 1 27 27 PHE H H 1 8.97 . . 1 . . . . . 7 PHE H . 52584 1 28 . 1 . 1 27 27 PHE C C 13 175.28 . . 1 . . . . . 7 PHE C . 52584 1 29 . 1 . 1 27 27 PHE CA C 13 56.36 . . 1 . . . . . 7 PHE CA . 52584 1 30 . 1 . 1 27 27 PHE CB C 13 42.59 . . 1 . . . . . 7 PHE CB . 52584 1 31 . 1 . 1 27 27 PHE N N 15 121.81 . . 1 . . . . . 7 PHE N . 52584 1 32 . 1 . 1 28 28 ALA H H 1 8.93 . . 1 . . . . . 8 ALA H . 52584 1 33 . 1 . 1 28 28 ALA C C 13 177.57 . . 1 . . . . . 8 ALA C . 52584 1 34 . 1 . 1 28 28 ALA CA C 13 53.33 . . 1 . . . . . 8 ALA CA . 52584 1 35 . 1 . 1 28 28 ALA CB C 13 17.82 . . 1 . . . . . 8 ALA CB . 52584 1 36 . 1 . 1 28 28 ALA N N 15 125.03 . . 1 . . . . . 8 ALA N . 52584 1 37 . 1 . 1 29 29 ASN H H 1 8.22 . . 1 . . . . . 9 ASN H . 52584 1 38 . 1 . 1 29 29 ASN CA C 13 49.43 . . 1 . . . . . 9 ASN CA . 52584 1 39 . 1 . 1 29 29 ASN CB C 13 39.15 . . 1 . . . . . 9 ASN CB . 52584 1 40 . 1 . 1 29 29 ASN N N 15 116.99 . . 1 . . . . . 9 ASN N . 52584 1 41 . 1 . 1 30 30 PRO C C 13 179.42 . . 1 . . . . . 10 PRO C . 52584 1 42 . 1 . 1 31 31 ARG H H 1 8.11 . . 1 . . . . . 11 ARG H . 52584 1 43 . 1 . 1 31 31 ARG C C 13 179.56 . . 1 . . . . . 11 ARG C . 52584 1 44 . 1 . 1 31 31 ARG CA C 13 58.23 . . 1 . . . . . 11 ARG CA . 52584 1 45 . 1 . 1 31 31 ARG CB C 13 28.49 . . 1 . . . . . 11 ARG CB . 52584 1 46 . 1 . 1 31 31 ARG N N 15 118.56 . . 1 . . . . . 11 ARG N . 52584 1 47 . 1 . 1 32 32 VAL H H 1 7.24 . . 1 . . . . . 12 VAL H . 52584 1 48 . 1 . 1 32 32 VAL C C 13 176.90 . . 1 . . . . . 12 VAL C . 52584 1 49 . 1 . 1 32 32 VAL CA C 13 65.23 . . 1 . . . . . 12 VAL CA . 52584 1 50 . 1 . 1 32 32 VAL CG1 C 13 20.81 . . 2 . . . . . 12 VAL CG# . 52584 1 51 . 1 . 1 32 32 VAL CG2 C 13 20.81 . . 2 . . . . . 12 VAL CG# . 52584 1 52 . 1 . 1 32 32 VAL N N 15 122.81 . . 1 . . . . . 12 VAL N . 52584 1 53 . 1 . 1 33 33 ALA H H 1 6.77 . . 1 . . . . . 13 ALA H . 52584 1 54 . 1 . 1 33 33 ALA C C 13 178.61 . . 1 . . . . . 13 ALA C . 52584 1 55 . 1 . 1 33 33 ALA CA C 13 54.12 . . 1 . . . . . 13 ALA CA . 52584 1 56 . 1 . 1 33 33 ALA CB C 13 17.62 . . 1 . . . . . 13 ALA CB . 52584 1 57 . 1 . 1 33 33 ALA N N 15 118.63 . . 1 . . . . . 13 ALA N . 52584 1 58 . 1 . 1 34 34 GLN H H 1 7.79 . . 1 . . . . . 14 GLN H . 52584 1 59 . 1 . 1 34 34 GLN C C 13 176.80 . . 1 . . . . . 14 GLN C . 52584 1 60 . 1 . 1 34 34 GLN CA C 13 57.09 . . 1 . . . . . 14 GLN CA . 52584 1 61 . 1 . 1 34 34 GLN CB C 13 27.75 . . 1 . . . . . 14 GLN CB . 52584 1 62 . 1 . 1 34 34 GLN CG C 13 32.61 . . 1 . . . . . 14 GLN CG . 52584 1 63 . 1 . 1 34 34 GLN N N 15 114.56 . . 1 . . . . . 14 GLN N . 52584 1 64 . 1 . 1 35 35 ALA H H 1 7.62 . . 1 . . . . . 15 ALA H . 52584 1 65 . 1 . 1 35 35 ALA C C 13 180.11 . . 1 . . . . . 15 ALA C . 52584 1 66 . 1 . 1 35 35 ALA CA C 13 54.75 . . 1 . . . . . 15 ALA CA . 52584 1 67 . 1 . 1 35 35 ALA CB C 13 16.68 . . 1 . . . . . 15 ALA CB . 52584 1 68 . 1 . 1 35 35 ALA N N 15 121.36 . . 1 . . . . . 15 ALA N . 52584 1 69 . 1 . 1 36 36 PHE H H 1 7.49 . . 1 . . . . . 16 PHE H . 52584 1 70 . 1 . 1 36 36 PHE C C 13 177.06 . . 1 . . . . . 16 PHE C . 52584 1 71 . 1 . 1 36 36 PHE CA C 13 61.16 . . 1 . . . . . 16 PHE CA . 52584 1 72 . 1 . 1 36 36 PHE CB C 13 37.55 . . 1 . . . . . 16 PHE CB . 52584 1 73 . 1 . 1 36 36 PHE N N 15 118.93 . . 1 . . . . . 16 PHE N . 52584 1 74 . 1 . 1 37 37 VAL H H 1 8.03 . . 1 . . . . . 17 VAL H . 52584 1 75 . 1 . 1 37 37 VAL C C 13 179.19 . . 1 . . . . . 17 VAL C . 52584 1 76 . 1 . 1 37 37 VAL CA C 13 66.96 . . 1 . . . . . 17 VAL CA . 52584 1 77 . 1 . 1 37 37 VAL N N 15 119.35 . . 1 . . . . . 17 VAL N . 52584 1 78 . 1 . 1 38 38 ASP H H 1 9.38 . . 1 . . . . . 18 ASP H . 52584 1 79 . 1 . 1 38 38 ASP C C 13 179.53 . . 1 . . . . . 18 ASP C . 52584 1 80 . 1 . 1 38 38 ASP CA C 13 56.95 . . 1 . . . . . 18 ASP CA . 52584 1 81 . 1 . 1 38 38 ASP CB C 13 38.82 . . 1 . . . . . 18 ASP CB . 52584 1 82 . 1 . 1 38 38 ASP N N 15 122.81 . . 1 . . . . . 18 ASP N . 52584 1 83 . 1 . 1 39 39 TYR H H 1 8.37 . . 1 . . . . . 19 TYR H . 52584 1 84 . 1 . 1 39 39 TYR C C 13 179.73 . . 1 . . . . . 19 TYR C . 52584 1 85 . 1 . 1 39 39 TYR CA C 13 62.10 . . 1 . . . . . 19 TYR CA . 52584 1 86 . 1 . 1 39 39 TYR CB C 13 37.46 . . 1 . . . . . 19 TYR CB . 52584 1 87 . 1 . 1 39 39 TYR N N 15 120.70 . . 1 . . . . . 19 TYR N . 52584 1 88 . 1 . 1 40 40 MET H H 1 8.54 . . 1 . . . . . 20 MET H . 52584 1 89 . 1 . 1 40 40 MET C C 13 179.28 . . 1 . . . . . 20 MET C . 52584 1 90 . 1 . 1 40 40 MET CA C 13 55.96 . . 1 . . . . . 20 MET CA . 52584 1 91 . 1 . 1 40 40 MET CB C 13 26.85 . . 1 . . . . . 20 MET CB . 52584 1 92 . 1 . 1 40 40 MET CG C 13 30.95 . . 1 . . . . . 20 MET CG . 52584 1 93 . 1 . 1 40 40 MET N N 15 119.57 . . 1 . . . . . 20 MET N . 52584 1 94 . 1 . 1 41 41 ALA H H 1 8.09 . . 1 . . . . . 21 ALA H . 52584 1 95 . 1 . 1 41 41 ALA C C 13 182.12 . . 1 . . . . . 21 ALA C . 52584 1 96 . 1 . 1 41 41 ALA CA C 13 55.15 . . 1 . . . . . 21 ALA CA . 52584 1 97 . 1 . 1 41 41 ALA CB C 13 16.54 . . 1 . . . . . 21 ALA CB . 52584 1 98 . 1 . 1 41 41 ALA N N 15 123.12 . . 1 . . . . . 21 ALA N . 52584 1 99 . 1 . 1 42 42 THR H H 1 7.52 . . 1 . . . . . 22 THR H . 52584 1 100 . 1 . 1 42 42 THR C C 13 175.14 . . 1 . . . . . 22 THR C . 52584 1 101 . 1 . 1 42 42 THR CA C 13 64.23 . . 1 . . . . . 22 THR CA . 52584 1 102 . 1 . 1 42 42 THR CG2 C 13 20.53 . . 1 . . . . . 22 THR CG . 52584 1 103 . 1 . 1 42 42 THR N N 15 110.57 . . 1 . . . . . 22 THR N . 52584 1 104 . 1 . 1 43 43 GLN H H 1 7.16 . . 1 . . . . . 23 GLN H . 52584 1 105 . 1 . 1 43 43 GLN C C 13 175.80 . . 1 . . . . . 23 GLN C . 52584 1 106 . 1 . 1 43 43 GLN CA C 13 53.05 . . 1 . . . . . 23 GLN CA . 52584 1 107 . 1 . 1 43 43 GLN CG C 13 32.18 . . 1 . . . . . 23 GLN CG . 52584 1 108 . 1 . 1 43 43 GLN N N 15 117.76 . . 1 . . . . . 23 GLN N . 52584 1 109 . 1 . 1 44 44 GLY H H 1 7.67 . . 1 . . . . . 24 GLY H . 52584 1 110 . 1 . 1 44 44 GLY C C 13 173.59 . . 1 . . . . . 24 GLY C . 52584 1 111 . 1 . 1 44 44 GLY CA C 13 45.18 . . 1 . . . . . 24 GLY CA . 52584 1 112 . 1 . 1 44 44 GLY N N 15 106.19 . . 1 . . . . . 24 GLY N . 52584 1 113 . 1 . 1 45 45 VAL H H 1 7.74 . . 1 . . . . . 25 VAL H . 52584 1 114 . 1 . 1 45 45 VAL C C 13 174.28 . . 1 . . . . . 25 VAL C . 52584 1 115 . 1 . 1 45 45 VAL CA C 13 60.42 . . 1 . . . . . 25 VAL CA . 52584 1 116 . 1 . 1 45 45 VAL N N 15 120.42 . . 1 . . . . . 25 VAL N . 52584 1 117 . 1 . 1 46 46 ILE H H 1 9.06 . . 1 . . . . . 26 ILE H . 52584 1 118 . 1 . 1 46 46 ILE C C 13 175.14 . . 1 . . . . . 26 ILE C . 52584 1 119 . 1 . 1 46 46 ILE CA C 13 59.73 . . 1 . . . . . 26 ILE CA . 52584 1 120 . 1 . 1 46 46 ILE CB C 13 35.67 . . 1 . . . . . 26 ILE CB . 52584 1 121 . 1 . 1 46 46 ILE N N 15 128.51 . . 1 . . . . . 26 ILE N . 52584 1 122 . 1 . 1 47 47 LEU H H 1 8.29 . . 1 . . . . . 27 LEU H . 52584 1 123 . 1 . 1 47 47 LEU C C 13 175.07 . . 1 . . . . . 27 LEU C . 52584 1 124 . 1 . 1 47 47 LEU CA C 13 52.60 . . 1 . . . . . 27 LEU CA . 52584 1 125 . 1 . 1 47 47 LEU CB C 13 43.57 . . 1 . . . . . 27 LEU CB . 52584 1 126 . 1 . 1 47 47 LEU N N 15 129.42 . . 1 . . . . . 27 LEU N . 52584 1 127 . 1 . 1 48 48 THR H H 1 9.03 . . 1 . . . . . 28 THR H . 52584 1 128 . 1 . 1 48 48 THR C C 13 173.44 . . 1 . . . . . 28 THR C . 52584 1 129 . 1 . 1 48 48 THR CA C 13 60.34 . . 1 . . . . . 28 THR CA . 52584 1 130 . 1 . 1 48 48 THR CG2 C 13 20.49 . . 1 . . . . . 28 THR CG . 52584 1 131 . 1 . 1 48 48 THR N N 15 112.80 . . 1 . . . . . 28 THR N . 52584 1 132 . 1 . 1 49 49 ILE H H 1 8.80 . . 1 . . . . . 29 ILE H . 52584 1 133 . 1 . 1 49 49 ILE C C 13 176.77 . . 1 . . . . . 29 ILE C . 52584 1 134 . 1 . 1 49 49 ILE CA C 13 59.76 . . 1 . . . . . 29 ILE CA . 52584 1 135 . 1 . 1 49 49 ILE CB C 13 39.75 . . 1 . . . . . 29 ILE CB . 52584 1 136 . 1 . 1 49 49 ILE N N 15 122.77 . . 1 . . . . . 29 ILE N . 52584 1 137 . 1 . 1 50 50 GLN H H 1 9.50 . . 1 . . . . . 30 GLN H . 52584 1 138 . 1 . 1 50 50 GLN C C 13 174.53 . . 1 . . . . . 30 GLN C . 52584 1 139 . 1 . 1 50 50 GLN CA C 13 54.36 . . 1 . . . . . 30 GLN CA . 52584 1 140 . 1 . 1 50 50 GLN CB C 13 30.68 . . 1 . . . . . 30 GLN CB . 52584 1 141 . 1 . 1 50 50 GLN CG C 13 32.96 . . 1 . . . . . 30 GLN CG . 52584 1 142 . 1 . 1 50 50 GLN N N 15 127.69 . . 1 . . . . . 30 GLN N . 52584 1 143 . 1 . 1 51 51 GLN H H 1 9.10 . . 1 . . . . . 31 GLN H . 52584 1 144 . 1 . 1 51 51 GLN CA C 13 54.69 . . 1 . . . . . 31 GLN CA . 52584 1 145 . 1 . 1 51 51 GLN N N 15 126.34 . . 1 . . . . . 31 GLN N . 52584 1 146 . 1 . 1 55 55 SER H H 1 8.97 . . 1 . . . . . 35 SER H . 52584 1 147 . 1 . 1 55 55 SER C C 13 172.72 . . 1 . . . . . 35 SER C . 52584 1 148 . 1 . 1 55 55 SER CA C 13 57.34 . . 1 . . . . . 35 SER CA . 52584 1 149 . 1 . 1 55 55 SER CB C 13 63.86 . . 1 . . . . . 35 SER CB . 52584 1 150 . 1 . 1 55 55 SER N N 15 120.41 . . 1 . . . . . 35 SER N . 52584 1 151 . 1 . 1 56 56 ASP H H 1 8.89 . . 1 . . . . . 36 ASP H . 52584 1 152 . 1 . 1 56 56 ASP C C 13 175.01 . . 1 . . . . . 36 ASP C . 52584 1 153 . 1 . 1 56 56 ASP CA C 13 53.52 . . 1 . . . . . 36 ASP CA . 52584 1 154 . 1 . 1 56 56 ASP CB C 13 41.33 . . 1 . . . . . 36 ASP CB . 52584 1 155 . 1 . 1 56 56 ASP N N 15 127.39 . . 1 . . . . . 36 ASP N . 52584 1 156 . 1 . 1 57 57 VAL H H 1 8.65 . . 1 . . . . . 37 VAL H . 52584 1 157 . 1 . 1 57 57 VAL C C 13 174.14 . . 1 . . . . . 37 VAL C . 52584 1 158 . 1 . 1 57 57 VAL CA C 13 61.43 . . 1 . . . . . 37 VAL CA . 52584 1 159 . 1 . 1 57 57 VAL N N 15 122.07 . . 1 . . . . . 37 VAL N . 52584 1 160 . 1 . 1 58 58 TRP H H 1 9.64 . . 1 . . . . . 38 TRP H . 52584 1 161 . 1 . 1 58 58 TRP C C 13 174.37 . . 1 . . . . . 38 TRP C . 52584 1 162 . 1 . 1 58 58 TRP CA C 13 56.17 . . 1 . . . . . 38 TRP CA . 52584 1 163 . 1 . 1 58 58 TRP CB C 13 31.84 . . 1 . . . . . 38 TRP CB . 52584 1 164 . 1 . 1 58 58 TRP N N 15 128.22 . . 1 . . . . . 38 TRP N . 52584 1 165 . 1 . 1 59 59 LEU H H 1 9.56 . . 1 . . . . . 39 LEU H . 52584 1 166 . 1 . 1 59 59 LEU C C 13 175.22 . . 1 . . . . . 39 LEU C . 52584 1 167 . 1 . 1 59 59 LEU CA C 13 53.12 . . 1 . . . . . 39 LEU CA . 52584 1 168 . 1 . 1 59 59 LEU CB C 13 45.89 . . 1 . . . . . 39 LEU CB . 52584 1 169 . 1 . 1 59 59 LEU N N 15 122.67 . . 1 . . . . . 39 LEU N . 52584 1 170 . 1 . 1 60 60 ALA H H 1 8.73 . . 1 . . . . . 40 ALA H . 52584 1 171 . 1 . 1 60 60 ALA C C 13 177.14 . . 1 . . . . . 40 ALA C . 52584 1 172 . 1 . 1 60 60 ALA CA C 13 53.26 . . 1 . . . . . 40 ALA CA . 52584 1 173 . 1 . 1 60 60 ALA CB C 13 18.49 . . 1 . . . . . 40 ALA CB . 52584 1 174 . 1 . 1 60 60 ALA N N 15 128.41 . . 1 . . . . . 40 ALA N . 52584 1 175 . 1 . 1 61 61 ASP H H 1 7.37 . . 1 . . . . . 41 ASP H . 52584 1 176 . 1 . 1 61 61 ASP C C 13 176.09 . . 1 . . . . . 41 ASP C . 52584 1 177 . 1 . 1 61 61 ASP CA C 13 51.76 . . 1 . . . . . 41 ASP CA . 52584 1 178 . 1 . 1 61 61 ASP CB C 13 39.17 . . 1 . . . . . 41 ASP CB . 52584 1 179 . 1 . 1 61 61 ASP N N 15 115.16 . . 1 . . . . . 41 ASP N . 52584 1 180 . 1 . 1 62 62 GLU H H 1 8.85 . . 1 . . . . . 42 GLU H . 52584 1 181 . 1 . 1 62 62 GLU C C 13 178.15 . . 1 . . . . . 42 GLU C . 52584 1 182 . 1 . 1 62 62 GLU CA C 13 58.90 . . 1 . . . . . 42 GLU CA . 52584 1 183 . 1 . 1 62 62 GLU CB C 13 28.08 . . 1 . . . . . 42 GLU CB . 52584 1 184 . 1 . 1 62 62 GLU CG C 13 35.32 . . 1 . . . . . 42 GLU CG . 52584 1 185 . 1 . 1 62 62 GLU N N 15 124.04 . . 1 . . . . . 42 GLU N . 52584 1 186 . 1 . 1 63 63 SER H H 1 8.46 . . 1 . . . . . 43 SER H . 52584 1 187 . 1 . 1 63 63 SER C C 13 176.27 . . 1 . . . . . 43 SER C . 52584 1 188 . 1 . 1 63 63 SER CA C 13 61.05 . . 1 . . . . . 43 SER CA . 52584 1 189 . 1 . 1 63 63 SER CB C 13 62.39 . . 1 . . . . . 43 SER CB . 52584 1 190 . 1 . 1 63 63 SER N N 15 116.88 . . 1 . . . . . 43 SER N . 52584 1 191 . 1 . 1 64 64 GLN H H 1 7.83 . . 1 . . . . . 44 GLN H . 52584 1 192 . 1 . 1 64 64 GLN C C 13 176.05 . . 1 . . . . . 44 GLN C . 52584 1 193 . 1 . 1 64 64 GLN CA C 13 54.29 . . 1 . . . . . 44 GLN CA . 52584 1 194 . 1 . 1 64 64 GLN CB C 13 25.49 . . 1 . . . . . 44 GLN CB . 52584 1 195 . 1 . 1 64 64 GLN CG C 13 32.14 . . 1 . . . . . 44 GLN CG . 52584 1 196 . 1 . 1 64 64 GLN N N 15 118.75 . . 1 . . . . . 44 GLN N . 52584 1 197 . 1 . 1 65 65 ALA H H 1 7.62 . . 1 . . . . . 45 ALA H . 52584 1 198 . 1 . 1 65 65 ALA C C 13 178.61 . . 1 . . . . . 45 ALA C . 52584 1 199 . 1 . 1 65 65 ALA CA C 13 56.43 . . 1 . . . . . 45 ALA CA . 52584 1 200 . 1 . 1 65 65 ALA CB C 13 17.61 . . 1 . . . . . 45 ALA CB . 52584 1 201 . 1 . 1 65 65 ALA N N 15 122.51 . . 1 . . . . . 45 ALA N . 52584 1 202 . 1 . 1 66 66 GLU H H 1 8.73 . . 1 . . . . . 46 GLU H . 52584 1 203 . 1 . 1 66 66 GLU C C 13 179.54 . . 1 . . . . . 46 GLU C . 52584 1 204 . 1 . 1 66 66 GLU CA C 13 59.41 . . 1 . . . . . 46 GLU CA . 52584 1 205 . 1 . 1 66 66 GLU CB C 13 27.90 . . 1 . . . . . 46 GLU CB . 52584 1 206 . 1 . 1 66 66 GLU CG C 13 35.69 . . 1 . . . . . 46 GLU CG . 52584 1 207 . 1 . 1 66 66 GLU N N 15 116.95 . . 1 . . . . . 46 GLU N . 52584 1 208 . 1 . 1 67 67 ARG H H 1 8.15 . . 1 . . . . . 47 ARG H . 52584 1 209 . 1 . 1 67 67 ARG C C 13 179.09 . . 1 . . . . . 47 ARG C . 52584 1 210 . 1 . 1 67 67 ARG CA C 13 58.52 . . 1 . . . . . 47 ARG CA . 52584 1 211 . 1 . 1 67 67 ARG CB C 13 28.88 . . 1 . . . . . 47 ARG CB . 52584 1 212 . 1 . 1 67 67 ARG CG C 13 25.16 . . 1 . . . . . 47 ARG CG . 52584 1 213 . 1 . 1 67 67 ARG N N 15 121.73 . . 1 . . . . . 47 ARG N . 52584 1 214 . 1 . 1 68 68 VAL H H 1 8.50 . . 1 . . . . . 48 VAL H . 52584 1 215 . 1 . 1 68 68 VAL C C 13 177.99 . . 1 . . . . . 48 VAL C . 52584 1 216 . 1 . 1 68 68 VAL CA C 13 66.55 . . 1 . . . . . 48 VAL CA . 52584 1 217 . 1 . 1 68 68 VAL N N 15 118.47 . . 1 . . . . . 48 VAL N . 52584 1 218 . 1 . 1 69 69 ARG H H 1 8.78 . . 1 . . . . . 49 ARG H . 52584 1 219 . 1 . 1 69 69 ARG C C 13 179.25 . . 1 . . . . . 49 ARG C . 52584 1 220 . 1 . 1 69 69 ARG CA C 13 60.47 . . 1 . . . . . 49 ARG CA . 52584 1 221 . 1 . 1 69 69 ARG CB C 13 28.35 . . 1 . . . . . 49 ARG CB . 52584 1 222 . 1 . 1 69 69 ARG N N 15 119.25 . . 1 . . . . . 49 ARG N . 52584 1 223 . 1 . 1 70 70 ALA H H 1 8.18 . . 1 . . . . . 50 ALA H . 52584 1 224 . 1 . 1 70 70 ALA C C 13 181.41 . . 1 . . . . . 50 ALA C . 52584 1 225 . 1 . 1 70 70 ALA CA C 13 54.93 . . 1 . . . . . 50 ALA CA . 52584 1 226 . 1 . 1 70 70 ALA CB C 13 16.73 . . 1 . . . . . 50 ALA CB . 52584 1 227 . 1 . 1 70 70 ALA N N 15 123.16 . . 1 . . . . . 50 ALA N . 52584 1 228 . 1 . 1 71 71 GLU H H 1 8.43 . . 1 . . . . . 51 GLU H . 52584 1 229 . 1 . 1 71 71 GLU C C 13 180.38 . . 1 . . . . . 51 GLU C . 52584 1 230 . 1 . 1 71 71 GLU CA C 13 57.93 . . 1 . . . . . 51 GLU CA . 52584 1 231 . 1 . 1 71 71 GLU N N 15 118.32 . . 1 . . . . . 51 GLU N . 52584 1 232 . 1 . 1 72 72 LEU H H 1 9.28 . . 1 . . . . . 52 LEU H . 52584 1 233 . 1 . 1 72 72 LEU C C 13 177.17 . . 1 . . . . . 52 LEU C . 52584 1 234 . 1 . 1 72 72 LEU CA C 13 57.36 . . 1 . . . . . 52 LEU CA . 52584 1 235 . 1 . 1 72 72 LEU CB C 13 40.13 . . 1 . . . . . 52 LEU CB . 52584 1 236 . 1 . 1 72 72 LEU N N 15 124.01 . . 1 . . . . . 52 LEU N . 52584 1 237 . 1 . 1 73 73 ALA H H 1 7.60 . . 1 . . . . . 53 ALA H . 52584 1 238 . 1 . 1 73 73 ALA C C 13 180.35 . . 1 . . . . . 53 ALA C . 52584 1 239 . 1 . 1 73 73 ALA CA C 13 54.83 . . 1 . . . . . 53 ALA CA . 52584 1 240 . 1 . 1 73 73 ALA CB C 13 16.73 . . 1 . . . . . 53 ALA CB . 52584 1 241 . 1 . 1 73 73 ALA N N 15 119.37 . . 1 . . . . . 53 ALA N . 52584 1 242 . 1 . 1 74 74 ARG H H 1 7.27 . . 1 . . . . . 54 ARG H . 52584 1 243 . 1 . 1 74 74 ARG C C 13 178.34 . . 1 . . . . . 54 ARG C . 52584 1 244 . 1 . 1 74 74 ARG CA C 13 58.56 . . 1 . . . . . 54 ARG CA . 52584 1 245 . 1 . 1 74 74 ARG N N 15 116.55 . . 1 . . . . . 54 ARG N . 52584 1 246 . 1 . 1 75 75 PHE H H 1 8.50 . . 1 . . . . . 55 PHE H . 52584 1 247 . 1 . 1 75 75 PHE C C 13 176.55 . . 1 . . . . . 55 PHE C . 52584 1 248 . 1 . 1 75 75 PHE CA C 13 60.07 . . 1 . . . . . 55 PHE CA . 52584 1 249 . 1 . 1 75 75 PHE CB C 13 38.90 . . 1 . . . . . 55 PHE CB . 52584 1 250 . 1 . 1 75 75 PHE N N 15 123.53 . . 1 . . . . . 55 PHE N . 52584 1 251 . 1 . 1 76 76 LEU H H 1 8.48 . . 1 . . . . . 56 LEU H . 52584 1 252 . 1 . 1 76 76 LEU C C 13 179.77 . . 1 . . . . . 56 LEU C . 52584 1 253 . 1 . 1 76 76 LEU CA C 13 56.13 . . 1 . . . . . 56 LEU CA . 52584 1 254 . 1 . 1 76 76 LEU CB C 13 40.85 . . 1 . . . . . 56 LEU CB . 52584 1 255 . 1 . 1 76 76 LEU N N 15 114.76 . . 1 . . . . . 56 LEU N . 52584 1 256 . 1 . 1 77 77 GLU H H 1 7.33 . . 1 . . . . . 57 GLU H . 52584 1 257 . 1 . 1 77 77 GLU C C 13 176.35 . . 1 . . . . . 57 GLU C . 52584 1 258 . 1 . 1 77 77 GLU CA C 13 58.58 . . 1 . . . . . 57 GLU CA . 52584 1 259 . 1 . 1 77 77 GLU N N 15 117.08 . . 1 . . . . . 57 GLU N . 52584 1 260 . 1 . 1 115 115 PRO C C 13 178.91 . . 1 . . . . . 95 PRO C . 52584 1 261 . 1 . 1 115 115 PRO CA C 13 65.54 . . 1 . . . . . 95 PRO CA . 52584 1 262 . 1 . 1 116 116 VAL H H 1 10.82 . . 1 . . . . . 96 VAL H . 52584 1 263 . 1 . 1 116 116 VAL C C 13 178.34 . . 1 . . . . . 96 VAL C . 52584 1 264 . 1 . 1 116 116 VAL CA C 13 66.93 . . 1 . . . . . 96 VAL CA . 52584 1 265 . 1 . 1 116 116 VAL CG1 C 13 23.19 . . 2 . . . . . 96 VAL CG# . 52584 1 266 . 1 . 1 116 116 VAL CG2 C 13 23.19 . . 2 . . . . . 96 VAL CG# . 52584 1 267 . 1 . 1 116 116 VAL N N 15 121.99 . . 1 . . . . . 96 VAL N . 52584 1 268 . 1 . 1 117 117 THR C C 13 179.52 . . 1 . . . . . 97 THR C . 52584 1 269 . 1 . 1 117 117 THR CA C 13 67.22 . . 1 . . . . . 97 THR CA . 52584 1 270 . 1 . 1 118 118 TRP H H 1 8.37 . . 1 . . . . . 98 TRP H . 52584 1 271 . 1 . 1 118 118 TRP C C 13 178.78 . . 1 . . . . . 98 TRP C . 52584 1 272 . 1 . 1 118 118 TRP CA C 13 60.94 . . 1 . . . . . 98 TRP CA . 52584 1 273 . 1 . 1 118 118 TRP CB C 13 30.33 . . 1 . . . . . 98 TRP CB . 52584 1 274 . 1 . 1 118 118 TRP N N 15 119.47 . . 1 . . . . . 98 TRP N . 52584 1 275 . 1 . 1 127 127 VAL H H 1 8.26 . . 1 . . . . . 107 VAL H . 52584 1 276 . 1 . 1 127 127 VAL C C 13 177.99 . . 1 . . . . . 107 VAL C . 52584 1 277 . 1 . 1 127 127 VAL CA C 13 66.36 . . 1 . . . . . 107 VAL CA . 52584 1 278 . 1 . 1 127 127 VAL N N 15 118.44 . . 1 . . . . . 107 VAL N . 52584 1 279 . 1 . 1 128 128 PHE H H 1 8.81 . . 1 . . . . . 108 PHE H . 52584 1 280 . 1 . 1 128 128 PHE C C 13 178.72 . . 1 . . . . . 108 PHE C . 52584 1 281 . 1 . 1 128 128 PHE CA C 13 56.31 . . 1 . . . . . 108 PHE CA . 52584 1 282 . 1 . 1 128 128 PHE CB C 13 39.20 . . 1 . . . . . 108 PHE CB . 52584 1 283 . 1 . 1 128 128 PHE N N 15 119.27 . . 1 . . . . . 108 PHE N . 52584 1 284 . 1 . 1 133 133 ILE C C 13 177.07 . . 1 . . . . . 113 ILE C . 52584 1 285 . 1 . 1 133 133 ILE CA C 13 63.59 . . 1 . . . . . 113 ILE CA . 52584 1 286 . 1 . 1 134 134 LEU H H 1 8.87 . . 1 . . . . . 114 LEU H . 52584 1 287 . 1 . 1 134 134 LEU C C 13 178.19 . . 1 . . . . . 114 LEU C . 52584 1 288 . 1 . 1 134 134 LEU CA C 13 55.11 . . 1 . . . . . 114 LEU CA . 52584 1 289 . 1 . 1 134 134 LEU CB C 13 41.98 . . 1 . . . . . 114 LEU CB . 52584 1 290 . 1 . 1 134 134 LEU N N 15 116.48 . . 1 . . . . . 114 LEU N . 52584 1 291 . 1 . 1 135 135 GLY H H 1 7.19 . . 1 . . . . . 115 GLY H . 52584 1 292 . 1 . 1 135 135 GLY C C 13 174.07 . . 1 . . . . . 115 GLY C . 52584 1 293 . 1 . 1 135 135 GLY CA C 13 44.11 . . 1 . . . . . 115 GLY CA . 52584 1 294 . 1 . 1 135 135 GLY N N 15 108.72 . . 1 . . . . . 115 GLY N . 52584 1 295 . 1 . 1 136 136 ASP H H 1 8.08 . . 1 . . . . . 116 ASP H . 52584 1 296 . 1 . 1 136 136 ASP C C 13 178.60 . . 1 . . . . . 116 ASP C . 52584 1 297 . 1 . 1 136 136 ASP CA C 13 57.63 . . 1 . . . . . 116 ASP CA . 52584 1 298 . 1 . 1 136 136 ASP CB C 13 40.04 . . 1 . . . . . 116 ASP CB . 52584 1 299 . 1 . 1 136 136 ASP N N 15 120.23 . . 1 . . . . . 116 ASP N . 52584 1 300 . 1 . 1 138 138 GLU C C 13 177.70 . . 1 . . . . . 118 GLU C . 52584 1 301 . 1 . 1 138 138 GLU CA C 13 58.86 . . 1 . . . . . 118 GLU CA . 52584 1 302 . 1 . 1 139 139 VAL H H 1 6.94 . . 1 . . . . . 119 VAL H . 52584 1 303 . 1 . 1 139 139 VAL C C 13 178.60 . . 1 . . . . . 119 VAL C . 52584 1 304 . 1 . 1 139 139 VAL CA C 13 65.79 . . 1 . . . . . 119 VAL CA . 52584 1 305 . 1 . 1 139 139 VAL N N 15 115.01 . . 1 . . . . . 119 VAL N . 52584 1 306 . 1 . 1 140 140 MET H H 1 8.74 . . 1 . . . . . 120 MET H . 52584 1 307 . 1 . 1 140 140 MET C C 13 177.77 . . 1 . . . . . 120 MET C . 52584 1 308 . 1 . 1 140 140 MET CA C 13 59.26 . . 1 . . . . . 120 MET CA . 52584 1 309 . 1 . 1 140 140 MET CB C 13 31.79 . . 1 . . . . . 120 MET CB . 52584 1 310 . 1 . 1 140 140 MET N N 15 120.26 . . 1 . . . . . 120 MET N . 52584 1 311 . 1 . 1 141 141 LEU H H 1 7.95 . . 1 . . . . . 121 LEU H . 52584 1 312 . 1 . 1 141 141 LEU C C 13 179.38 . . 1 . . . . . 121 LEU C . 52584 1 313 . 1 . 1 141 141 LEU CA C 13 57.87 . . 1 . . . . . 121 LEU CA . 52584 1 314 . 1 . 1 141 141 LEU CB C 13 40.32 . . 1 . . . . . 121 LEU CB . 52584 1 315 . 1 . 1 141 141 LEU N N 15 115.70 . . 1 . . . . . 121 LEU N . 52584 1 316 . 1 . 1 142 142 TRP H H 1 7.37 . . 1 . . . . . 122 TRP H . 52584 1 317 . 1 . 1 142 142 TRP C C 13 177.76 . . 1 . . . . . 122 TRP C . 52584 1 318 . 1 . 1 142 142 TRP CA C 13 58.32 . . 1 . . . . . 122 TRP CA . 52584 1 319 . 1 . 1 142 142 TRP N N 15 117.06 . . 1 . . . . . 122 TRP N . 52584 1 320 . 1 . 1 143 143 LEU C C 13 177.37 . . 1 . . . . . 123 LEU C . 52584 1 321 . 1 . 1 143 143 LEU CA C 13 54.36 . . 1 . . . . . 123 LEU CA . 52584 1 322 . 1 . 1 143 143 LEU CB C 13 42.18 . . 1 . . . . . 123 LEU CB . 52584 1 323 . 1 . 1 144 144 ALA H H 1 8.77 . . 1 . . . . . 124 ALA H . 52584 1 324 . 1 . 1 144 144 ALA C C 13 176.07 . . 1 . . . . . 124 ALA C . 52584 1 325 . 1 . 1 144 144 ALA CA C 13 52.61 . . 1 . . . . . 124 ALA CA . 52584 1 326 . 1 . 1 144 144 ALA CB C 13 19.28 . . 1 . . . . . 124 ALA CB . 52584 1 327 . 1 . 1 144 144 ALA N N 15 118.86 . . 1 . . . . . 124 ALA N . 52584 1 328 . 1 . 1 145 145 TRP H H 1 8.08 . . 1 . . . . . 125 TRP H . 52584 1 329 . 1 . 1 145 145 TRP CA C 13 55.24 . . 1 . . . . . 125 TRP CA . 52584 1 330 . 1 . 1 145 145 TRP CB C 13 28.66 . . 1 . . . . . 125 TRP CB . 52584 1 331 . 1 . 1 145 145 TRP N N 15 119.08 . . 1 . . . . . 125 TRP N . 52584 1 332 . 1 . 1 146 146 PRO C C 13 177.53 . . 1 . . . . . 126 PRO C . 52584 1 333 . 1 . 1 147 147 PHE H H 1 5.77 . . 1 . . . . . 127 PHE H . 52584 1 334 . 1 . 1 147 147 PHE C C 13 173.26 . . 1 . . . . . 127 PHE C . 52584 1 335 . 1 . 1 147 147 PHE CA C 13 53.76 . . 1 . . . . . 127 PHE CA . 52584 1 336 . 1 . 1 147 147 PHE CB C 13 36.38 . . 1 . . . . . 127 PHE CB . 52584 1 337 . 1 . 1 147 147 PHE N N 15 117.97 . . 1 . . . . . 127 PHE N . 52584 1 338 . 1 . 1 148 148 ASP H H 1 7.09 . . 1 . . . . . 128 ASP H . 52584 1 339 . 1 . 1 148 148 ASP C C 13 174.72 . . 1 . . . . . 128 ASP C . 52584 1 340 . 1 . 1 148 148 ASP CA C 13 51.82 . . 1 . . . . . 128 ASP CA . 52584 1 341 . 1 . 1 148 148 ASP CB C 13 47.19 . . 1 . . . . . 128 ASP CB . 52584 1 342 . 1 . 1 148 148 ASP N N 15 121.37 . . 1 . . . . . 128 ASP N . 52584 1 343 . 1 . 1 149 149 PRO C C 13 178.53 . . 1 . . . . . 129 PRO C . 52584 1 344 . 1 . 1 150 150 THR H H 1 8.66 . . 1 . . . . . 130 THR H . 52584 1 345 . 1 . 1 150 150 THR C C 13 176.26 . . 1 . . . . . 130 THR C . 52584 1 346 . 1 . 1 150 150 THR CA C 13 63.93 . . 1 . . . . . 130 THR CA . 52584 1 347 . 1 . 1 150 150 THR CB C 13 64.38 . . 1 . . . . . 130 THR CB . 52584 1 348 . 1 . 1 150 150 THR CG2 C 13 20.84 . . 1 . . . . . 130 THR CG . 52584 1 349 . 1 . 1 150 150 THR N N 15 108.91 . . 1 . . . . . 130 THR N . 52584 1 350 . 1 . 1 151 151 LEU H H 1 7.74 . . 1 . . . . . 131 LEU H . 52584 1 351 . 1 . 1 151 151 LEU C C 13 177.66 . . 1 . . . . . 131 LEU C . 52584 1 352 . 1 . 1 151 151 LEU CA C 13 53.65 . . 1 . . . . . 131 LEU CA . 52584 1 353 . 1 . 1 151 151 LEU CB C 13 40.20 . . 1 . . . . . 131 LEU CB . 52584 1 354 . 1 . 1 151 151 LEU N N 15 119.71 . . 1 . . . . . 131 LEU N . 52584 1 355 . 1 . 1 152 152 LYS H H 1 6.89 . . 1 . . . . . 132 LYS H . 52584 1 356 . 1 . 1 152 152 LYS C C 13 176.38 . . 1 . . . . . 132 LYS C . 52584 1 357 . 1 . 1 152 152 LYS CA C 13 58.05 . . 1 . . . . . 132 LYS CA . 52584 1 358 . 1 . 1 152 152 LYS CB C 13 30.98 . . 1 . . . . . 132 LYS CB . 52584 1 359 . 1 . 1 152 152 LYS N N 15 115.75 . . 1 . . . . . 132 LYS N . 52584 1 360 . 1 . 1 153 153 PHE H H 1 8.48 . . 1 . . . . . 133 PHE H . 52584 1 361 . 1 . 1 153 153 PHE C C 13 175.13 . . 1 . . . . . 133 PHE C . 52584 1 362 . 1 . 1 153 153 PHE CA C 13 56.33 . . 1 . . . . . 133 PHE CA . 52584 1 363 . 1 . 1 153 153 PHE CB C 13 36.54 . . 1 . . . . . 133 PHE CB . 52584 1 364 . 1 . 1 153 153 PHE N N 15 115.24 . . 1 . . . . . 133 PHE N . 52584 1 365 . 1 . 1 154 154 GLU H H 1 7.18 . . 1 . . . . . 134 GLU H . 52584 1 366 . 1 . 1 154 154 GLU C C 13 176.97 . . 1 . . . . . 134 GLU C . 52584 1 367 . 1 . 1 154 154 GLU CA C 13 54.69 . . 1 . . . . . 134 GLU CA . 52584 1 368 . 1 . 1 154 154 GLU CG C 13 35.08 . . 1 . . . . . 134 GLU CG . 52584 1 369 . 1 . 1 154 154 GLU N N 15 120.26 . . 1 . . . . . 134 GLU N . 52584 1 370 . 1 . 1 155 155 PHE H H 1 7.55 . . 1 . . . . . 135 PHE H . 52584 1 371 . 1 . 1 155 155 PHE C C 13 175.42 . . 1 . . . . . 135 PHE C . 52584 1 372 . 1 . 1 155 155 PHE CA C 13 59.77 . . 1 . . . . . 135 PHE CA . 52584 1 373 . 1 . 1 155 155 PHE CB C 13 39.33 . . 1 . . . . . 135 PHE CB . 52584 1 374 . 1 . 1 155 155 PHE N N 15 116.83 . . 1 . . . . . 135 PHE N . 52584 1 375 . 1 . 1 156 156 TRP H H 1 6.84 . . 1 . . . . . 136 TRP H . 52584 1 376 . 1 . 1 156 156 TRP C C 13 176.68 . . 1 . . . . . 136 TRP C . 52584 1 377 . 1 . 1 156 156 TRP CA C 13 60.30 . . 1 . . . . . 136 TRP CA . 52584 1 378 . 1 . 1 156 156 TRP CB C 13 26.29 . . 1 . . . . . 136 TRP CB . 52584 1 379 . 1 . 1 156 156 TRP N N 15 115.68 . . 1 . . . . . 136 TRP N . 52584 1 380 . 1 . 1 157 157 ARG H H 1 7.03 . . 1 . . . . . 137 ARG H . 52584 1 381 . 1 . 1 157 157 ARG C C 13 175.52 . . 1 . . . . . 137 ARG C . 52584 1 382 . 1 . 1 157 157 ARG CA C 13 57.13 . . 1 . . . . . 137 ARG CA . 52584 1 383 . 1 . 1 157 157 ARG CB C 13 28.30 . . 1 . . . . . 137 ARG CB . 52584 1 384 . 1 . 1 157 157 ARG CD C 13 41.75 . . 1 . . . . . 137 ARG CD . 52584 1 385 . 1 . 1 157 157 ARG N N 15 122.00 . . 1 . . . . . 137 ARG N . 52584 1 386 . 1 . 1 158 158 TYR H H 1 6.41 . . 1 . . . . . 138 TYR H . 52584 1 387 . 1 . 1 158 158 TYR C C 13 173.96 . . 1 . . . . . 138 TYR C . 52584 1 388 . 1 . 1 158 158 TYR CA C 13 59.22 . . 1 . . . . . 138 TYR CA . 52584 1 389 . 1 . 1 158 158 TYR CB C 13 35.46 . . 1 . . . . . 138 TYR CB . 52584 1 390 . 1 . 1 158 158 TYR N N 15 111.57 . . 1 . . . . . 138 TYR N . 52584 1 391 . 1 . 1 159 159 PHE H H 1 8.28 . . 1 . . . . . 139 PHE H . 52584 1 392 . 1 . 1 159 159 PHE C C 13 176.60 . . 1 . . . . . 139 PHE C . 52584 1 393 . 1 . 1 159 159 PHE CA C 13 58.21 . . 1 . . . . . 139 PHE CA . 52584 1 394 . 1 . 1 159 159 PHE CB C 13 41.72 . . 1 . . . . . 139 PHE CB . 52584 1 395 . 1 . 1 159 159 PHE N N 15 113.05 . . 1 . . . . . 139 PHE N . 52584 1 396 . 1 . 1 160 160 THR H H 1 9.24 . . 1 . . . . . 140 THR H . 52584 1 397 . 1 . 1 160 160 THR C C 13 175.18 . . 1 . . . . . 140 THR C . 52584 1 398 . 1 . 1 160 160 THR CA C 13 65.76 . . 1 . . . . . 140 THR CA . 52584 1 399 . 1 . 1 160 160 THR CG2 C 13 21.26 . . 1 . . . . . 140 THR CG . 52584 1 400 . 1 . 1 160 160 THR N N 15 107.28 . . 1 . . . . . 140 THR N . 52584 1 401 . 1 . 1 161 161 HIS H H 1 7.11 . . 1 . . . . . 141 HIS H . 52584 1 402 . 1 . 1 161 161 HIS C C 13 177.41 . . 1 . . . . . 141 HIS C . 52584 1 403 . 1 . 1 161 161 HIS CA C 13 56.87 . . 1 . . . . . 141 HIS CA . 52584 1 404 . 1 . 1 161 161 HIS CB C 13 29.50 . . 1 . . . . . 141 HIS CB . 52584 1 405 . 1 . 1 161 161 HIS N N 15 121.11 . . 1 . . . . . 141 HIS N . 52584 1 406 . 1 . 1 162 162 ALA H H 1 6.74 . . 1 . . . . . 142 ALA H . 52584 1 407 . 1 . 1 162 162 ALA C C 13 174.91 . . 1 . . . . . 142 ALA C . 52584 1 408 . 1 . 1 162 162 ALA CA C 13 52.17 . . 1 . . . . . 142 ALA CA . 52584 1 409 . 1 . 1 162 162 ALA CB C 13 16.33 . . 1 . . . . . 142 ALA CB . 52584 1 410 . 1 . 1 162 162 ALA N N 15 123.06 . . 1 . . . . . 142 ALA N . 52584 1 411 . 1 . 1 163 163 LEU H H 1 7.26 . . 1 . . . . . 143 LEU H . 52584 1 412 . 1 . 1 163 163 LEU C C 13 177.55 . . 1 . . . . . 143 LEU C . 52584 1 413 . 1 . 1 163 163 LEU CA C 13 53.57 . . 1 . . . . . 143 LEU CA . 52584 1 414 . 1 . 1 163 163 LEU CB C 13 41.64 . . 1 . . . . . 143 LEU CB . 52584 1 415 . 1 . 1 163 163 LEU N N 15 107.48 . . 1 . . . . . 143 LEU N . 52584 1 416 . 1 . 1 164 164 MET H H 1 6.78 . . 1 . . . . . 144 MET H . 52584 1 417 . 1 . 1 164 164 MET C C 13 171.70 . . 1 . . . . . 144 MET C . 52584 1 418 . 1 . 1 164 164 MET CA C 13 56.03 . . 1 . . . . . 144 MET CA . 52584 1 419 . 1 . 1 164 164 MET CB C 13 30.88 . . 1 . . . . . 144 MET CB . 52584 1 420 . 1 . 1 164 164 MET N N 15 115.74 . . 1 . . . . . 144 MET N . 52584 1 421 . 1 . 1 165 165 HIS H H 1 6.34 . . 1 . . . . . 145 HIS H . 52584 1 422 . 1 . 1 165 165 HIS C C 13 175.44 . . 1 . . . . . 145 HIS C . 52584 1 423 . 1 . 1 165 165 HIS CA C 13 55.93 . . 1 . . . . . 145 HIS CA . 52584 1 424 . 1 . 1 165 165 HIS CB C 13 32.75 . . 1 . . . . . 145 HIS CB . 52584 1 425 . 1 . 1 165 165 HIS N N 15 112.32 . . 1 . . . . . 145 HIS N . 52584 1 426 . 1 . 1 166 166 PHE H H 1 10.57 . . 1 . . . . . 146 PHE H . 52584 1 427 . 1 . 1 166 166 PHE C C 13 175.30 . . 1 . . . . . 146 PHE C . 52584 1 428 . 1 . 1 166 166 PHE CA C 13 59.46 . . 1 . . . . . 146 PHE CA . 52584 1 429 . 1 . 1 166 166 PHE CB C 13 39.73 . . 1 . . . . . 146 PHE CB . 52584 1 430 . 1 . 1 166 166 PHE N N 15 118.27 . . 1 . . . . . 146 PHE N . 52584 1 431 . 1 . 1 167 167 SER H H 1 8.14 . . 1 . . . . . 147 SER H . 52584 1 432 . 1 . 1 167 167 SER C C 13 174.01 . . 1 . . . . . 147 SER C . 52584 1 433 . 1 . 1 167 167 SER CA C 13 56.92 . . 1 . . . . . 147 SER CA . 52584 1 434 . 1 . 1 167 167 SER CB C 13 65.79 . . 1 . . . . . 147 SER CB . 52584 1 435 . 1 . 1 167 167 SER N N 15 112.01 . . 1 . . . . . 147 SER N . 52584 1 436 . 1 . 1 168 168 LEU H H 1 9.87 . . 1 . . . . . 148 LEU H . 52584 1 437 . 1 . 1 168 168 LEU C C 13 177.98 . . 1 . . . . . 148 LEU C . 52584 1 438 . 1 . 1 168 168 LEU CA C 13 57.02 . . 1 . . . . . 148 LEU CA . 52584 1 439 . 1 . 1 168 168 LEU CB C 13 40.58 . . 1 . . . . . 148 LEU CB . 52584 1 440 . 1 . 1 168 168 LEU N N 15 123.96 . . 1 . . . . . 148 LEU N . 52584 1 441 . 1 . 1 169 169 MET H H 1 8.90 . . 1 . . . . . 149 MET H . 52584 1 442 . 1 . 1 169 169 MET C C 13 177.35 . . 1 . . . . . 149 MET C . 52584 1 443 . 1 . 1 169 169 MET CA C 13 58.07 . . 1 . . . . . 149 MET CA . 52584 1 444 . 1 . 1 169 169 MET CB C 13 31.55 . . 1 . . . . . 149 MET CB . 52584 1 445 . 1 . 1 169 169 MET N N 15 116.21 . . 1 . . . . . 149 MET N . 52584 1 446 . 1 . 1 182 182 GLY C C 13 175.54 . . 1 . . . . . 162 GLY C . 52584 1 447 . 1 . 1 182 182 GLY CA C 13 46.13 . . 1 . . . . . 162 GLY CA . 52584 1 448 . 1 . 1 183 183 GLY H H 1 6.87 . . 1 . . . . . 163 GLY H . 52584 1 449 . 1 . 1 183 183 GLY C C 13 176.06 . . 1 . . . . . 163 GLY C . 52584 1 450 . 1 . 1 183 183 GLY CA C 13 46.76 . . 1 . . . . . 163 GLY CA . 52584 1 451 . 1 . 1 183 183 GLY N N 15 106.35 . . 1 . . . . . 163 GLY N . 52584 1 452 . 1 . 1 184 184 ALA H H 1 6.65 . . 1 . . . . . 164 ALA H . 52584 1 453 . 1 . 1 184 184 ALA C C 13 179.81 . . 1 . . . . . 164 ALA C . 52584 1 454 . 1 . 1 184 184 ALA CA C 13 54.67 . . 1 . . . . . 164 ALA CA . 52584 1 455 . 1 . 1 184 184 ALA CB C 13 16.69 . . 1 . . . . . 164 ALA CB . 52584 1 456 . 1 . 1 184 184 ALA N N 15 121.78 . . 1 . . . . . 164 ALA N . 52584 1 457 . 1 . 1 186 186 GLU C C 13 179.27 . . 1 . . . . . 166 GLU C . 52584 1 458 . 1 . 1 186 186 GLU CA C 13 58.70 . . 1 . . . . . 166 GLU CA . 52584 1 459 . 1 . 1 187 187 LYS H H 1 8.34 . . 1 . . . . . 167 LYS H . 52584 1 460 . 1 . 1 187 187 LYS C C 13 178.40 . . 1 . . . . . 167 LYS C . 52584 1 461 . 1 . 1 187 187 LYS CA C 13 57.79 . . 1 . . . . . 167 LYS CA . 52584 1 462 . 1 . 1 187 187 LYS CB C 13 30.87 . . 1 . . . . . 167 LYS CB . 52584 1 463 . 1 . 1 187 187 LYS CG C 13 23.36 . . 1 . . . . . 167 LYS CG . 52584 1 464 . 1 . 1 187 187 LYS N N 15 116.76 . . 1 . . . . . 167 LYS N . 52584 1 465 . 1 . 1 188 188 ARG H H 1 7.87 . . 1 . . . . . 168 ARG H . 52584 1 466 . 1 . 1 188 188 ARG C C 13 177.55 . . 1 . . . . . 168 ARG C . 52584 1 467 . 1 . 1 188 188 ARG CA C 13 56.18 . . 1 . . . . . 168 ARG CA . 52584 1 468 . 1 . 1 188 188 ARG CB C 13 29.53 . . 1 . . . . . 168 ARG CB . 52584 1 469 . 1 . 1 188 188 ARG CG C 13 25.70 . . 1 . . . . . 168 ARG CG . 52584 1 470 . 1 . 1 188 188 ARG CD C 13 41.77 . . 1 . . . . . 168 ARG CD . 52584 1 471 . 1 . 1 188 188 ARG N N 15 113.80 . . 1 . . . . . 168 ARG N . 52584 1 472 . 1 . 1 189 189 LEU H H 1 8.87 . . 1 . . . . . 169 LEU H . 52584 1 473 . 1 . 1 189 189 LEU C C 13 177.64 . . 1 . . . . . 169 LEU C . 52584 1 474 . 1 . 1 189 189 LEU CA C 13 53.88 . . 1 . . . . . 169 LEU CA . 52584 1 475 . 1 . 1 189 189 LEU CB C 13 41.63 . . 1 . . . . . 169 LEU CB . 52584 1 476 . 1 . 1 189 189 LEU N N 15 116.51 . . 1 . . . . . 169 LEU N . 52584 1 477 . 1 . 1 190 190 GLY H H 1 7.56 . . 1 . . . . . 170 GLY H . 52584 1 478 . 1 . 1 190 190 GLY C C 13 173.95 . . 1 . . . . . 170 GLY C . 52584 1 479 . 1 . 1 190 190 GLY CA C 13 44.60 . . 1 . . . . . 170 GLY CA . 52584 1 480 . 1 . 1 190 190 GLY N N 15 110.14 . . 1 . . . . . 170 GLY N . 52584 1 481 . 1 . 1 191 191 SER H H 1 8.77 . . 1 . . . . . 171 SER H . 52584 1 482 . 1 . 1 191 191 SER C C 13 175.94 . . 1 . . . . . 171 SER C . 52584 1 483 . 1 . 1 191 191 SER CA C 13 62.90 . . 1 . . . . . 171 SER CA . 52584 1 484 . 1 . 1 191 191 SER CB C 13 63.30 . . 1 . . . . . 171 SER CB . 52584 1 485 . 1 . 1 191 191 SER N N 15 116.41 . . 1 . . . . . 171 SER N . 52584 1 486 . 1 . 1 192 192 GLY H H 1 9.25 . . 1 . . . . . 172 GLY H . 52584 1 487 . 1 . 1 192 192 GLY C C 13 174.83 . . 1 . . . . . 172 GLY C . 52584 1 488 . 1 . 1 192 192 GLY CA C 13 47.23 . . 1 . . . . . 172 GLY CA . 52584 1 489 . 1 . 1 192 192 GLY N N 15 109.26 . . 1 . . . . . 172 GLY N . 52584 1 490 . 1 . 1 193 193 LYS H H 1 8.06 . . 1 . . . . . 173 LYS H . 52584 1 491 . 1 . 1 193 193 LYS C C 13 177.77 . . 1 . . . . . 173 LYS C . 52584 1 492 . 1 . 1 193 193 LYS CA C 13 56.36 . . 1 . . . . . 173 LYS CA . 52584 1 493 . 1 . 1 193 193 LYS CB C 13 27.67 . . 1 . . . . . 173 LYS CB . 52584 1 494 . 1 . 1 193 193 LYS CG C 13 21.61 . . 1 . . . . . 173 LYS CG . 52584 1 495 . 1 . 1 193 193 LYS CD C 13 24.63 . . 1 . . . . . 173 LYS CD . 52584 1 496 . 1 . 1 193 193 LYS N N 15 121.39 . . 1 . . . . . 173 LYS N . 52584 1 497 . 1 . 1 194 194 LEU H H 1 7.08 . . 1 . . . . . 174 LEU H . 52584 1 498 . 1 . 1 194 194 LEU C C 13 179.99 . . 1 . . . . . 174 LEU C . 52584 1 499 . 1 . 1 194 194 LEU CA C 13 57.16 . . 1 . . . . . 174 LEU CA . 52584 1 500 . 1 . 1 194 194 LEU CB C 13 40.15 . . 1 . . . . . 174 LEU CB . 52584 1 501 . 1 . 1 194 194 LEU N N 15 115.85 . . 1 . . . . . 174 LEU N . 52584 1 502 . 1 . 1 195 195 ILE H H 1 8.65 . . 1 . . . . . 175 ILE H . 52584 1 503 . 1 . 1 195 195 ILE CA C 13 65.95 . . 1 . . . . . 175 ILE CA . 52584 1 504 . 1 . 1 195 195 ILE CB C 13 36.58 . . 1 . . . . . 175 ILE CB . 52584 1 505 . 1 . 1 195 195 ILE N N 15 121.46 . . 1 . . . . . 175 ILE N . 52584 1 506 . 1 . 1 208 208 VAL C C 13 177.04 . . 1 . . . . . 188 VAL C . 52584 1 507 . 1 . 1 208 208 VAL CA C 13 66.14 . . 1 . . . . . 188 VAL CA . 52584 1 508 . 1 . 1 208 208 VAL CB C 13 28.39 . . 1 . . . . . 188 VAL CB . 52584 1 509 . 1 . 1 209 209 GLN H H 1 7.88 . . 1 . . . . . 189 GLN H . 52584 1 510 . 1 . 1 209 209 GLN C C 13 178.08 . . 1 . . . . . 189 GLN C . 52584 1 511 . 1 . 1 209 209 GLN CA C 13 58.01 . . 1 . . . . . 189 GLN CA . 52584 1 512 . 1 . 1 209 209 GLN CB C 13 25.29 . . 1 . . . . . 189 GLN CB . 52584 1 513 . 1 . 1 209 209 GLN N N 15 119.21 . . 1 . . . . . 189 GLN N . 52584 1 514 . 1 . 1 210 210 GLN H H 1 7.63 . . 1 . . . . . 190 GLN H . 52584 1 515 . 1 . 1 210 210 GLN C C 13 178.32 . . 1 . . . . . 190 GLN C . 52584 1 516 . 1 . 1 210 210 GLN CA C 13 56.50 . . 1 . . . . . 190 GLN CA . 52584 1 517 . 1 . 1 210 210 GLN CB C 13 23.61 . . 1 . . . . . 190 GLN CB . 52584 1 518 . 1 . 1 210 210 GLN CG C 13 31.00 . . 1 . . . . . 190 GLN CG . 52584 1 519 . 1 . 1 210 210 GLN N N 15 116.29 . . 1 . . . . . 190 GLN N . 52584 1 520 . 1 . 1 213 213 SER CA C 13 58.45 . . 1 . . . . . 193 SER CA . 52584 1 521 . 1 . 1 213 213 SER CB C 13 64.96 . . 1 . . . . . 193 SER CB . 52584 1 522 . 1 . 1 214 214 GLY H H 1 7.98 . . 1 . . . . . 194 GLY H . 52584 1 523 . 1 . 1 214 214 GLY CA C 13 44.65 . . 1 . . . . . 194 GLY CA . 52584 1 524 . 1 . 1 214 214 GLY N N 15 111.43 . . 1 . . . . . 194 GLY N . 52584 1 525 . 1 . 1 217 217 PHE C C 13 172.97 . . 1 . . . . . 197 PHE C . 52584 1 526 . 1 . 1 217 217 PHE CA C 13 55.90 . . 1 . . . . . 197 PHE CA . 52584 1 527 . 1 . 1 217 217 PHE CB C 13 39.31 . . 1 . . . . . 197 PHE CB . 52584 1 528 . 1 . 1 218 218 GLY H H 1 8.50 . . 1 . . . . . 198 GLY H . 52584 1 529 . 1 . 1 218 218 GLY C C 13 173.70 . . 1 . . . . . 198 GLY C . 52584 1 530 . 1 . 1 218 218 GLY CA C 13 46.61 . . 1 . . . . . 198 GLY CA . 52584 1 531 . 1 . 1 218 218 GLY N N 15 104.18 . . 1 . . . . . 198 GLY N . 52584 1 532 . 1 . 1 219 219 GLY H H 1 8.34 . . 1 . . . . . 199 GLY H . 52584 1 533 . 1 . 1 219 219 GLY C C 13 177.74 . . 1 . . . . . 199 GLY C . 52584 1 534 . 1 . 1 219 219 GLY CA C 13 44.97 . . 1 . . . . . 199 GLY CA . 52584 1 535 . 1 . 1 219 219 GLY N N 15 109.98 . . 1 . . . . . 199 GLY N . 52584 1 536 . 1 . 1 220 220 LEU C C 13 178.37 . . 1 . . . . . 200 LEU C . 52584 1 537 . 1 . 1 220 220 LEU CA C 13 54.97 . . 1 . . . . . 200 LEU CA . 52584 1 538 . 1 . 1 221 221 SER H H 1 8.31 . . 1 . . . . . 201 SER H . 52584 1 539 . 1 . 1 221 221 SER C C 13 176.21 . . 1 . . . . . 201 SER C . 52584 1 540 . 1 . 1 221 221 SER CA C 13 63.43 . . 1 . . . . . 201 SER CA . 52584 1 541 . 1 . 1 221 221 SER N N 15 115.36 . . 1 . . . . . 201 SER N . 52584 1 542 . 1 . 1 222 222 GLY H H 1 8.89 . . 1 . . . . . 202 GLY H . 52584 1 543 . 1 . 1 222 222 GLY C C 13 175.07 . . 1 . . . . . 202 GLY C . 52584 1 544 . 1 . 1 222 222 GLY CA C 13 47.21 . . 1 . . . . . 202 GLY CA . 52584 1 545 . 1 . 1 222 222 GLY N N 15 111.28 . . 1 . . . . . 202 GLY N . 52584 1 546 . 1 . 1 223 223 VAL H H 1 7.78 . . 1 . . . . . 203 VAL H . 52584 1 547 . 1 . 1 223 223 VAL CA C 13 64.17 . . 1 . . . . . 203 VAL CA . 52584 1 548 . 1 . 1 223 223 VAL N N 15 122.71 . . 1 . . . . . 203 VAL N . 52584 1 549 . 1 . 1 232 232 TRP C C 13 178.28 . . 1 . . . . . 212 TRP C . 52584 1 550 . 1 . 1 233 233 LEU H H 1 8.28 . . 1 . . . . . 213 LEU H . 52584 1 551 . 1 . 1 233 233 LEU C C 13 178.77 . . 1 . . . . . 213 LEU C . 52584 1 552 . 1 . 1 233 233 LEU CA C 13 57.14 . . 1 . . . . . 213 LEU CA . 52584 1 553 . 1 . 1 233 233 LEU CB C 13 39.05 . . 1 . . . . . 213 LEU CB . 52584 1 554 . 1 . 1 233 233 LEU N N 15 117.52 . . 1 . . . . . 213 LEU N . 52584 1 555 . 1 . 1 234 234 ARG H H 1 8.73 . . 1 . . . . . 214 ARG H . 52584 1 556 . 1 . 1 234 234 ARG C C 13 178.02 . . 1 . . . . . 214 ARG C . 52584 1 557 . 1 . 1 234 234 ARG CA C 13 58.09 . . 1 . . . . . 214 ARG CA . 52584 1 558 . 1 . 1 234 234 ARG CB C 13 26.91 . . 1 . . . . . 214 ARG CB . 52584 1 559 . 1 . 1 234 234 ARG CG C 13 24.47 . . 1 . . . . . 214 ARG CG . 52584 1 560 . 1 . 1 234 234 ARG CD C 13 41.92 . . 1 . . . . . 214 ARG CD . 52584 1 561 . 1 . 1 234 234 ARG N N 15 119.19 . . 1 . . . . . 214 ARG N . 52584 1 562 . 1 . 1 235 235 GLY H H 1 7.67 . . 1 . . . . . 215 GLY H . 52584 1 563 . 1 . 1 235 235 GLY C C 13 176.15 . . 1 . . . . . 215 GLY C . 52584 1 564 . 1 . 1 235 235 GLY CA C 13 47.87 . . 1 . . . . . 215 GLY CA . 52584 1 565 . 1 . 1 235 235 GLY N N 15 104.51 . . 1 . . . . . 215 GLY N . 52584 1 566 . 1 . 1 236 236 GLU H H 1 7.30 . . 1 . . . . . 216 GLU H . 52584 1 567 . 1 . 1 236 236 GLU C C 13 178.68 . . 1 . . . . . 216 GLU C . 52584 1 568 . 1 . 1 236 236 GLU CA C 13 57.38 . . 1 . . . . . 216 GLU CA . 52584 1 569 . 1 . 1 236 236 GLU CB C 13 28.62 . . 1 . . . . . 216 GLU CB . 52584 1 570 . 1 . 1 236 236 GLU CG C 13 33.62 . . 1 . . . . . 216 GLU CG . 52584 1 571 . 1 . 1 236 236 GLU N N 15 117.79 . . 1 . . . . . 216 GLU N . 52584 1 572 . 1 . 1 237 237 ARG H H 1 8.08 . . 1 . . . . . 217 ARG H . 52584 1 573 . 1 . 1 237 237 ARG C C 13 176.27 . . 1 . . . . . 217 ARG C . 52584 1 574 . 1 . 1 237 237 ARG CA C 13 56.39 . . 1 . . . . . 217 ARG CA . 52584 1 575 . 1 . 1 237 237 ARG CB C 13 30.18 . . 1 . . . . . 217 ARG CB . 52584 1 576 . 1 . 1 237 237 ARG CG C 13 26.21 . . 1 . . . . . 217 ARG CG . 52584 1 577 . 1 . 1 237 237 ARG N N 15 114.34 . . 1 . . . . . 217 ARG N . 52584 1 578 . 1 . 1 238 238 ASP H H 1 8.37 . . 1 . . . . . 218 ASP H . 52584 1 579 . 1 . 1 238 238 ASP C C 13 173.45 . . 1 . . . . . 218 ASP C . 52584 1 580 . 1 . 1 238 238 ASP CA C 13 51.15 . . 1 . . . . . 218 ASP CA . 52584 1 581 . 1 . 1 238 238 ASP CB C 13 41.35 . . 1 . . . . . 218 ASP CB . 52584 1 582 . 1 . 1 238 238 ASP N N 15 117.51 . . 1 . . . . . 218 ASP N . 52584 1 583 . 1 . 1 239 239 PRO C C 13 179.52 . . 1 . . . . . 219 PRO C . 52584 1 584 . 1 . 1 239 239 PRO CA C 13 64.82 . . 1 . . . . . 219 PRO CA . 52584 1 585 . 1 . 1 240 240 GLN H H 1 8.81 . . 1 . . . . . 220 GLN H . 52584 1 586 . 1 . 1 240 240 GLN C C 13 177.02 . . 1 . . . . . 220 GLN C . 52584 1 587 . 1 . 1 240 240 GLN CA C 13 57.26 . . 1 . . . . . 220 GLN CA . 52584 1 588 . 1 . 1 240 240 GLN CB C 13 26.91 . . 1 . . . . . 220 GLN CB . 52584 1 589 . 1 . 1 240 240 GLN CG C 13 33.41 . . 1 . . . . . 220 GLN CG . 52584 1 590 . 1 . 1 240 240 GLN N N 15 117.84 . . 1 . . . . . 220 GLN N . 52584 1 591 . 1 . 1 241 241 SER H H 1 8.15 . . 1 . . . . . 221 SER H . 52584 1 592 . 1 . 1 241 241 SER C C 13 175.98 . . 1 . . . . . 221 SER C . 52584 1 593 . 1 . 1 241 241 SER CA C 13 60.76 . . 1 . . . . . 221 SER CA . 52584 1 594 . 1 . 1 241 241 SER CB C 13 63.48 . . 1 . . . . . 221 SER CB . 52584 1 595 . 1 . 1 241 241 SER N N 15 115.61 . . 1 . . . . . 221 SER N . 52584 1 596 . 1 . 1 242 242 GLY H H 1 7.75 . . 1 . . . . . 222 GLY H . 52584 1 597 . 1 . 1 242 242 GLY C C 13 173.34 . . 1 . . . . . 222 GLY C . 52584 1 598 . 1 . 1 242 242 GLY CA C 13 45.38 . . 1 . . . . . 222 GLY CA . 52584 1 599 . 1 . 1 242 242 GLY N N 15 106.88 . . 1 . . . . . 222 GLY N . 52584 1 600 . 1 . 1 243 243 ILE C C 13 173.50 . . 1 . . . . . 223 ILE C . 52584 1 601 . 1 . 1 243 243 ILE CA C 13 58.50 . . 1 . . . . . 223 ILE CA . 52584 1 602 . 1 . 1 243 243 ILE CB C 13 38.91 . . 1 . . . . . 223 ILE CB . 52584 1 603 . 1 . 1 244 244 TYR H H 1 7.62 . . 1 . . . . . 224 TYR H . 52584 1 604 . 1 . 1 244 244 TYR C C 13 173.17 . . 1 . . . . . 224 TYR C . 52584 1 605 . 1 . 1 244 244 TYR CA C 13 56.73 . . 1 . . . . . 224 TYR CA . 52584 1 606 . 1 . 1 244 244 TYR CB C 13 37.73 . . 1 . . . . . 224 TYR CB . 52584 1 607 . 1 . 1 244 244 TYR N N 15 118.82 . . 1 . . . . . 224 TYR N . 52584 1 608 . 1 . 1 245 245 LEU H H 1 8.98 . . 1 . . . . . 225 LEU H . 52584 1 609 . 1 . 1 245 245 LEU C C 13 174.57 . . 1 . . . . . 225 LEU C . 52584 1 610 . 1 . 1 245 245 LEU CA C 13 52.86 . . 1 . . . . . 225 LEU CA . 52584 1 611 . 1 . 1 245 245 LEU N N 15 124.61 . . 1 . . . . . 225 LEU N . 52584 1 612 . 1 . 1 275 275 ILE H H 1 7.79 . . 1 . . . . . 255 ILE H . 52584 1 613 . 1 . 1 275 275 ILE C C 13 176.94 . . 1 . . . . . 255 ILE C . 52584 1 614 . 1 . 1 275 275 ILE CA C 13 63.48 . . 1 . . . . . 255 ILE CA . 52584 1 615 . 1 . 1 275 275 ILE N N 15 116.94 . . 1 . . . . . 255 ILE N . 52584 1 616 . 1 . 1 276 276 ALA H H 1 7.98 . . 1 . . . . . 256 ALA H . 52584 1 617 . 1 . 1 276 276 ALA C C 13 178.85 . . 1 . . . . . 256 ALA C . 52584 1 618 . 1 . 1 276 276 ALA CA C 13 54.94 . . 1 . . . . . 256 ALA CA . 52584 1 619 . 1 . 1 276 276 ALA CB C 13 16.78 . . 1 . . . . . 256 ALA CB . 52584 1 620 . 1 . 1 276 276 ALA N N 15 121.16 . . 1 . . . . . 256 ALA N . 52584 1 621 . 1 . 1 277 277 GLY H H 1 8.00 . . 1 . . . . . 257 GLY H . 52584 1 622 . 1 . 1 277 277 GLY CA C 13 47.26 . . 1 . . . . . 257 GLY CA . 52584 1 623 . 1 . 1 277 277 GLY N N 15 102.70 . . 1 . . . . . 257 GLY N . 52584 1 stop_ save_