data_16820 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16820 _Entry.Title ; SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-01 _Entry.Accession_date 2010-04-01 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'further refined with RDC data' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaohua Liu . . . 16820 2 Paolo Rossi . . . 16820 3 Dongyan Wang . . . 16820 4 Chioma Nwosu . . . 16820 5 LEAH OWENS . . . 16820 6 Rong Xiao . . . 16820 7 Jinfeng Liu . . . 16820 8 MICHAEL BARAN . C. . 16820 9 G.V.T SWAPNA . . . 16820 10 THOMAS ACTON . B. . 16820 11 BURKHARD Rost . C. . 16820 12 Gaetano Montelione . T. . 16820 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16820 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BETA . 16820 NESG . 16820 RDC . 16820 'RIBOSOMAL PROTEIN S8E' . 16820 rsp8e . 16820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 16820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'residual dipolar couplings' 45 16820 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 . . 2012-08-03 2010-04-01 original author . 16820 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16091 'NMR chemical shifts' 16820 PDB 2kcp 'NMR structure refined without RDC constraints' 16820 PDB 2KCY 'BMRB Entry Tracking System' 16820 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16820 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D' _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.Entry_ID _Citation_author.Citation_ID 1 Gaohua Liu . . . 16820 1 2 Paolo Rossi . . . 16820 1 3 Gaetano Montelione . T. . 16820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16820 _Assembly.ID 1 _Assembly.Name S8E _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 S8E 1 $S8E A . yes native no no . . . 16820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S8E _Entity.Sf_category entity _Entity.Sf_framecode S8E _Entity.Entry_ID 16820 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S8E _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GDRRVRLIRTRGGNTKVRLA SDTRINVVDPETGKVEIAEI RNVVENTANPHFVRRNIITR GAVVETNLGNVRVTSRPGQD GVINGVLIRELEHHHHHHGD RRVRLIRTRGGNTKVRLASD TRINVVDPETGKVEIAEIRN VVENTANPHFVRRNIITRGA VVETNLGNVRVTSRPGQDGV INGVLIRELEHHHHHHGDRR VRLIRTRGGNTKVRLASDTR INVVDPETGKVEIAEIRNVV ENTANPHFVRRNIITRGAVV ETNLGNVRVTSRPGQDGVIN GVLIRELEHHHHHH ; _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 294 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33088.738 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no BMRB 16091 . rps8e . . . . . 100.00 294 100.00 100.00 0.00e+00 . . . . 16820 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16820 1 2 . ASP . 16820 1 3 . ARG . 16820 1 4 . ARG . 16820 1 5 . VAL . 16820 1 6 . ARG . 16820 1 7 . LEU . 16820 1 8 . ILE . 16820 1 9 . ARG . 16820 1 10 . THR . 16820 1 11 . ARG . 16820 1 12 . GLY . 16820 1 13 . GLY . 16820 1 14 . ASN . 16820 1 15 . THR . 16820 1 16 . LYS . 16820 1 17 . VAL . 16820 1 18 . ARG . 16820 1 19 . LEU . 16820 1 20 . ALA . 16820 1 21 . SER . 16820 1 22 . ASP . 16820 1 23 . THR . 16820 1 24 . ARG . 16820 1 25 . ILE . 16820 1 26 . ASN . 16820 1 27 . VAL . 16820 1 28 . VAL . 16820 1 29 . ASP . 16820 1 30 . PRO . 16820 1 31 . GLU . 16820 1 32 . THR . 16820 1 33 . GLY . 16820 1 34 . LYS . 16820 1 35 . VAL . 16820 1 36 . GLU . 16820 1 37 . ILE . 16820 1 38 . ALA . 16820 1 39 . GLU . 16820 1 40 . ILE . 16820 1 41 . ARG . 16820 1 42 . ASN . 16820 1 43 . VAL . 16820 1 44 . VAL . 16820 1 45 . GLU . 16820 1 46 . ASN . 16820 1 47 . THR . 16820 1 48 . ALA . 16820 1 49 . ASN . 16820 1 50 . PRO . 16820 1 51 . HIS . 16820 1 52 . PHE . 16820 1 53 . VAL . 16820 1 54 . ARG . 16820 1 55 . ARG . 16820 1 56 . ASN . 16820 1 57 . ILE . 16820 1 58 . ILE . 16820 1 59 . THR . 16820 1 60 . ARG . 16820 1 61 . GLY . 16820 1 62 . ALA . 16820 1 63 . VAL . 16820 1 64 . VAL . 16820 1 65 . GLU . 16820 1 66 . THR . 16820 1 67 . ASN . 16820 1 68 . LEU . 16820 1 69 . GLY . 16820 1 70 . ASN . 16820 1 71 . VAL . 16820 1 72 . ARG . 16820 1 73 . VAL . 16820 1 74 . THR . 16820 1 75 . SER . 16820 1 76 . ARG . 16820 1 77 . PRO . 16820 1 78 . GLY . 16820 1 79 . GLN . 16820 1 80 . ASP . 16820 1 81 . GLY . 16820 1 82 . VAL . 16820 1 83 . ILE . 16820 1 84 . ASN . 16820 1 85 . GLY . 16820 1 86 . VAL . 16820 1 87 . LEU . 16820 1 88 . ILE . 16820 1 89 . ARG . 16820 1 90 . GLU . 16820 1 91 . LEU . 16820 1 92 . GLU . 16820 1 93 . HIS . 16820 1 94 . HIS . 16820 1 95 . HIS . 16820 1 96 . HIS . 16820 1 97 . HIS . 16820 1 98 . HIS . 16820 1 99 . GLY . 16820 1 100 . ASP . 16820 1 101 . ARG . 16820 1 102 . ARG . 16820 1 103 . VAL . 16820 1 104 . ARG . 16820 1 105 . LEU . 16820 1 106 . ILE . 16820 1 107 . ARG . 16820 1 108 . THR . 16820 1 109 . ARG . 16820 1 110 . GLY . 16820 1 111 . GLY . 16820 1 112 . ASN . 16820 1 113 . THR . 16820 1 114 . LYS . 16820 1 115 . VAL . 16820 1 116 . ARG . 16820 1 117 . LEU . 16820 1 118 . ALA . 16820 1 119 . SER . 16820 1 120 . ASP . 16820 1 121 . THR . 16820 1 122 . ARG . 16820 1 123 . ILE . 16820 1 124 . ASN . 16820 1 125 . VAL . 16820 1 126 . VAL . 16820 1 127 . ASP . 16820 1 128 . PRO . 16820 1 129 . GLU . 16820 1 130 . THR . 16820 1 131 . GLY . 16820 1 132 . LYS . 16820 1 133 . VAL . 16820 1 134 . GLU . 16820 1 135 . ILE . 16820 1 136 . ALA . 16820 1 137 . GLU . 16820 1 138 . ILE . 16820 1 139 . ARG . 16820 1 140 . ASN . 16820 1 141 . VAL . 16820 1 142 . VAL . 16820 1 143 . GLU . 16820 1 144 . ASN . 16820 1 145 . THR . 16820 1 146 . ALA . 16820 1 147 . ASN . 16820 1 148 . PRO . 16820 1 149 . HIS . 16820 1 150 . PHE . 16820 1 151 . VAL . 16820 1 152 . ARG . 16820 1 153 . ARG . 16820 1 154 . ASN . 16820 1 155 . ILE . 16820 1 156 . ILE . 16820 1 157 . THR . 16820 1 158 . ARG . 16820 1 159 . GLY . 16820 1 160 . ALA . 16820 1 161 . VAL . 16820 1 162 . VAL . 16820 1 163 . GLU . 16820 1 164 . THR . 16820 1 165 . ASN . 16820 1 166 . LEU . 16820 1 167 . GLY . 16820 1 168 . ASN . 16820 1 169 . VAL . 16820 1 170 . ARG . 16820 1 171 . VAL . 16820 1 172 . THR . 16820 1 173 . SER . 16820 1 174 . ARG . 16820 1 175 . PRO . 16820 1 176 . GLY . 16820 1 177 . GLN . 16820 1 178 . ASP . 16820 1 179 . GLY . 16820 1 180 . VAL . 16820 1 181 . ILE . 16820 1 182 . ASN . 16820 1 183 . GLY . 16820 1 184 . VAL . 16820 1 185 . LEU . 16820 1 186 . ILE . 16820 1 187 . ARG . 16820 1 188 . GLU . 16820 1 189 . LEU . 16820 1 190 . GLU . 16820 1 191 . HIS . 16820 1 192 . HIS . 16820 1 193 . HIS . 16820 1 194 . HIS . 16820 1 195 . HIS . 16820 1 196 . HIS . 16820 1 197 . GLY . 16820 1 198 . ASP . 16820 1 199 . ARG . 16820 1 200 . ARG . 16820 1 201 . VAL . 16820 1 202 . ARG . 16820 1 203 . LEU . 16820 1 204 . ILE . 16820 1 205 . ARG . 16820 1 206 . THR . 16820 1 207 . ARG . 16820 1 208 . GLY . 16820 1 209 . GLY . 16820 1 210 . ASN . 16820 1 211 . THR . 16820 1 212 . LYS . 16820 1 213 . VAL . 16820 1 214 . ARG . 16820 1 215 . LEU . 16820 1 216 . ALA . 16820 1 217 . SER . 16820 1 218 . ASP . 16820 1 219 . THR . 16820 1 220 . ARG . 16820 1 221 . ILE . 16820 1 222 . ASN . 16820 1 223 . VAL . 16820 1 224 . VAL . 16820 1 225 . ASP . 16820 1 226 . PRO . 16820 1 227 . GLU . 16820 1 228 . THR . 16820 1 229 . GLY . 16820 1 230 . LYS . 16820 1 231 . VAL . 16820 1 232 . GLU . 16820 1 233 . ILE . 16820 1 234 . ALA . 16820 1 235 . GLU . 16820 1 236 . ILE . 16820 1 237 . ARG . 16820 1 238 . ASN . 16820 1 239 . VAL . 16820 1 240 . VAL . 16820 1 241 . GLU . 16820 1 242 . ASN . 16820 1 243 . THR . 16820 1 244 . ALA . 16820 1 245 . ASN . 16820 1 246 . PRO . 16820 1 247 . HIS . 16820 1 248 . PHE . 16820 1 249 . VAL . 16820 1 250 . ARG . 16820 1 251 . ARG . 16820 1 252 . ASN . 16820 1 253 . ILE . 16820 1 254 . ILE . 16820 1 255 . THR . 16820 1 256 . ARG . 16820 1 257 . GLY . 16820 1 258 . ALA . 16820 1 259 . VAL . 16820 1 260 . VAL . 16820 1 261 . GLU . 16820 1 262 . THR . 16820 1 263 . ASN . 16820 1 264 . LEU . 16820 1 265 . GLY . 16820 1 266 . ASN . 16820 1 267 . VAL . 16820 1 268 . ARG . 16820 1 269 . VAL . 16820 1 270 . THR . 16820 1 271 . SER . 16820 1 272 . ARG . 16820 1 273 . PRO . 16820 1 274 . GLY . 16820 1 275 . GLN . 16820 1 276 . ASP . 16820 1 277 . GLY . 16820 1 278 . VAL . 16820 1 279 . ILE . 16820 1 280 . ASN . 16820 1 281 . GLY . 16820 1 282 . VAL . 16820 1 283 . LEU . 16820 1 284 . ILE . 16820 1 285 . ARG . 16820 1 286 . GLU . 16820 1 287 . LEU . 16820 1 288 . GLU . 16820 1 289 . HIS . 16820 1 290 . HIS . 16820 1 291 . HIS . 16820 1 292 . HIS . 16820 1 293 . HIS . 16820 1 294 . HIS . 16820 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16820 1 . ASP 2 2 16820 1 . ARG 3 3 16820 1 . ARG 4 4 16820 1 . VAL 5 5 16820 1 . ARG 6 6 16820 1 . LEU 7 7 16820 1 . ILE 8 8 16820 1 . ARG 9 9 16820 1 . THR 10 10 16820 1 . ARG 11 11 16820 1 . GLY 12 12 16820 1 . GLY 13 13 16820 1 . ASN 14 14 16820 1 . THR 15 15 16820 1 . LYS 16 16 16820 1 . VAL 17 17 16820 1 . ARG 18 18 16820 1 . LEU 19 19 16820 1 . ALA 20 20 16820 1 . SER 21 21 16820 1 . ASP 22 22 16820 1 . THR 23 23 16820 1 . ARG 24 24 16820 1 . ILE 25 25 16820 1 . ASN 26 26 16820 1 . VAL 27 27 16820 1 . VAL 28 28 16820 1 . ASP 29 29 16820 1 . PRO 30 30 16820 1 . GLU 31 31 16820 1 . THR 32 32 16820 1 . GLY 33 33 16820 1 . LYS 34 34 16820 1 . VAL 35 35 16820 1 . GLU 36 36 16820 1 . ILE 37 37 16820 1 . ALA 38 38 16820 1 . GLU 39 39 16820 1 . ILE 40 40 16820 1 . ARG 41 41 16820 1 . ASN 42 42 16820 1 . VAL 43 43 16820 1 . VAL 44 44 16820 1 . GLU 45 45 16820 1 . ASN 46 46 16820 1 . THR 47 47 16820 1 . ALA 48 48 16820 1 . ASN 49 49 16820 1 . PRO 50 50 16820 1 . HIS 51 51 16820 1 . PHE 52 52 16820 1 . VAL 53 53 16820 1 . ARG 54 54 16820 1 . ARG 55 55 16820 1 . ASN 56 56 16820 1 . ILE 57 57 16820 1 . ILE 58 58 16820 1 . THR 59 59 16820 1 . ARG 60 60 16820 1 . GLY 61 61 16820 1 . ALA 62 62 16820 1 . VAL 63 63 16820 1 . VAL 64 64 16820 1 . GLU 65 65 16820 1 . THR 66 66 16820 1 . ASN 67 67 16820 1 . LEU 68 68 16820 1 . GLY 69 69 16820 1 . ASN 70 70 16820 1 . VAL 71 71 16820 1 . ARG 72 72 16820 1 . VAL 73 73 16820 1 . THR 74 74 16820 1 . SER 75 75 16820 1 . ARG 76 76 16820 1 . PRO 77 77 16820 1 . GLY 78 78 16820 1 . GLN 79 79 16820 1 . ASP 80 80 16820 1 . GLY 81 81 16820 1 . VAL 82 82 16820 1 . ILE 83 83 16820 1 . ASN 84 84 16820 1 . GLY 85 85 16820 1 . VAL 86 86 16820 1 . LEU 87 87 16820 1 . ILE 88 88 16820 1 . ARG 89 89 16820 1 . GLU 90 90 16820 1 . LEU 91 91 16820 1 . GLU 92 92 16820 1 . HIS 93 93 16820 1 . HIS 94 94 16820 1 . HIS 95 95 16820 1 . HIS 96 96 16820 1 . HIS 97 97 16820 1 . HIS 98 98 16820 1 . GLY 99 99 16820 1 . ASP 100 100 16820 1 . ARG 101 101 16820 1 . ARG 102 102 16820 1 . VAL 103 103 16820 1 . ARG 104 104 16820 1 . LEU 105 105 16820 1 . ILE 106 106 16820 1 . ARG 107 107 16820 1 . THR 108 108 16820 1 . ARG 109 109 16820 1 . GLY 110 110 16820 1 . GLY 111 111 16820 1 . ASN 112 112 16820 1 . THR 113 113 16820 1 . LYS 114 114 16820 1 . VAL 115 115 16820 1 . ARG 116 116 16820 1 . LEU 117 117 16820 1 . ALA 118 118 16820 1 . SER 119 119 16820 1 . ASP 120 120 16820 1 . THR 121 121 16820 1 . ARG 122 122 16820 1 . ILE 123 123 16820 1 . ASN 124 124 16820 1 . VAL 125 125 16820 1 . VAL 126 126 16820 1 . ASP 127 127 16820 1 . PRO 128 128 16820 1 . GLU 129 129 16820 1 . THR 130 130 16820 1 . GLY 131 131 16820 1 . LYS 132 132 16820 1 . VAL 133 133 16820 1 . GLU 134 134 16820 1 . ILE 135 135 16820 1 . ALA 136 136 16820 1 . GLU 137 137 16820 1 . ILE 138 138 16820 1 . ARG 139 139 16820 1 . ASN 140 140 16820 1 . VAL 141 141 16820 1 . VAL 142 142 16820 1 . GLU 143 143 16820 1 . ASN 144 144 16820 1 . THR 145 145 16820 1 . ALA 146 146 16820 1 . ASN 147 147 16820 1 . PRO 148 148 16820 1 . HIS 149 149 16820 1 . PHE 150 150 16820 1 . VAL 151 151 16820 1 . ARG 152 152 16820 1 . ARG 153 153 16820 1 . ASN 154 154 16820 1 . ILE 155 155 16820 1 . ILE 156 156 16820 1 . THR 157 157 16820 1 . ARG 158 158 16820 1 . GLY 159 159 16820 1 . ALA 160 160 16820 1 . VAL 161 161 16820 1 . VAL 162 162 16820 1 . GLU 163 163 16820 1 . THR 164 164 16820 1 . ASN 165 165 16820 1 . LEU 166 166 16820 1 . GLY 167 167 16820 1 . ASN 168 168 16820 1 . VAL 169 169 16820 1 . ARG 170 170 16820 1 . VAL 171 171 16820 1 . THR 172 172 16820 1 . SER 173 173 16820 1 . ARG 174 174 16820 1 . PRO 175 175 16820 1 . GLY 176 176 16820 1 . GLN 177 177 16820 1 . ASP 178 178 16820 1 . GLY 179 179 16820 1 . VAL 180 180 16820 1 . ILE 181 181 16820 1 . ASN 182 182 16820 1 . GLY 183 183 16820 1 . VAL 184 184 16820 1 . LEU 185 185 16820 1 . ILE 186 186 16820 1 . ARG 187 187 16820 1 . GLU 188 188 16820 1 . LEU 189 189 16820 1 . GLU 190 190 16820 1 . HIS 191 191 16820 1 . HIS 192 192 16820 1 . HIS 193 193 16820 1 . HIS 194 194 16820 1 . HIS 195 195 16820 1 . HIS 196 196 16820 1 . GLY 197 197 16820 1 . ASP 198 198 16820 1 . ARG 199 199 16820 1 . ARG 200 200 16820 1 . VAL 201 201 16820 1 . ARG 202 202 16820 1 . LEU 203 203 16820 1 . ILE 204 204 16820 1 . ARG 205 205 16820 1 . THR 206 206 16820 1 . ARG 207 207 16820 1 . GLY 208 208 16820 1 . GLY 209 209 16820 1 . ASN 210 210 16820 1 . THR 211 211 16820 1 . LYS 212 212 16820 1 . VAL 213 213 16820 1 . ARG 214 214 16820 1 . LEU 215 215 16820 1 . ALA 216 216 16820 1 . SER 217 217 16820 1 . ASP 218 218 16820 1 . THR 219 219 16820 1 . ARG 220 220 16820 1 . ILE 221 221 16820 1 . ASN 222 222 16820 1 . VAL 223 223 16820 1 . VAL 224 224 16820 1 . ASP 225 225 16820 1 . PRO 226 226 16820 1 . GLU 227 227 16820 1 . THR 228 228 16820 1 . GLY 229 229 16820 1 . LYS 230 230 16820 1 . VAL 231 231 16820 1 . GLU 232 232 16820 1 . ILE 233 233 16820 1 . ALA 234 234 16820 1 . GLU 235 235 16820 1 . ILE 236 236 16820 1 . ARG 237 237 16820 1 . ASN 238 238 16820 1 . VAL 239 239 16820 1 . VAL 240 240 16820 1 . GLU 241 241 16820 1 . ASN 242 242 16820 1 . THR 243 243 16820 1 . ALA 244 244 16820 1 . ASN 245 245 16820 1 . PRO 246 246 16820 1 . HIS 247 247 16820 1 . PHE 248 248 16820 1 . VAL 249 249 16820 1 . ARG 250 250 16820 1 . ARG 251 251 16820 1 . ASN 252 252 16820 1 . ILE 253 253 16820 1 . ILE 254 254 16820 1 . THR 255 255 16820 1 . ARG 256 256 16820 1 . GLY 257 257 16820 1 . ALA 258 258 16820 1 . VAL 259 259 16820 1 . VAL 260 260 16820 1 . GLU 261 261 16820 1 . THR 262 262 16820 1 . ASN 263 263 16820 1 . LEU 264 264 16820 1 . GLY 265 265 16820 1 . ASN 266 266 16820 1 . VAL 267 267 16820 1 . ARG 268 268 16820 1 . VAL 269 269 16820 1 . THR 270 270 16820 1 . SER 271 271 16820 1 . ARG 272 272 16820 1 . PRO 273 273 16820 1 . GLY 274 274 16820 1 . GLN 275 275 16820 1 . ASP 276 276 16820 1 . GLY 277 277 16820 1 . VAL 278 278 16820 1 . ILE 279 279 16820 1 . ASN 280 280 16820 1 . GLY 281 281 16820 1 . VAL 282 282 16820 1 . LEU 283 283 16820 1 . ILE 284 284 16820 1 . ARG 285 285 16820 1 . GLU 286 286 16820 1 . LEU 287 287 16820 1 . GLU 288 288 16820 1 . HIS 289 289 16820 1 . HIS 290 290 16820 1 . HIS 291 291 16820 1 . HIS 292 292 16820 1 . HIS 293 293 16820 1 . HIS 294 294 16820 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 16820 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $S8E . 145262 organism . 'Methanobacterium thermoautotrophicum' 'Methanobacterium thermoautotrophicum' . . Archaea . Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 16820 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 16820 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $S8E . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16820 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16820 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $S8E . . 0.94 . . mM . . . . 16820 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16820 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16820 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16820 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-10% 13C; U-99% 15N]' . . 1 $S8E . . 1.0 . . mM . . . . 16820 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16820 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16820 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16820 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'sample_1 dissolved in D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $S8E . . 0.94 . . mM . . . . 16820 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16820 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16820 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'sample_2 aligned in in Peg/hexanol.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-10% 13C; U-99% 15N]' . . 1 $S8E . . 1.0 . . mM . . . . 16820 4 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16820 4 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16820 4 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 16820 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 16820 1 pressure 1 . atm 16820 1 temperature 298 . K 16820 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16820 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16820 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16820 1 refinement 16820 1 'structure solution' 16820 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16820 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16820 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16820 2 refinement 16820 2 'structure solution' 16820 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16820 _Software.ID 3 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16820 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16820 3 'peak picking' 16820 3 refinement 16820 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16820 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16820 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16820 4 'data analysis' 16820 4 'peak picking' 16820 4 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16820 _Software.ID 5 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16820 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16820 5 'data analysis' 16820 5 'peak picking' 16820 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16820 _Software.ID 6 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16820 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16820 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16820 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16820 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16820 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16820 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16820 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16820 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16820 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16820 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16820 9 refinement 16820 9 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 16820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details nysbc _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16820 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cabm _NMR_spectrometer.Manufacturer GE _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16820 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16820 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 nysbc . . 16820 1 2 spectrometer_2 GE Avance . 800 cabm . . 16820 1 3 spectrometer_3 Varian INOVA . 600 . . . 16820 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 16820 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16820 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16820 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16820 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16820 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16820 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16820 1 15 '2D 1H-15N HSQC_TROSY' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16820 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 16820 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 '2D 1H-15N HSQC' . . . 16820 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 22 22 ASP H H 1 . . 1 1 22 22 ASP N N 15 . 2.040 . . . . . . 1 22 ASP H 1 22 ASP N 16820 1 2 DHN . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR N N 15 . 2.888 . . . . . . 1 23 THR H 1 23 THR N 16820 1 3 DHN . 1 1 24 24 ARG H H 1 . . 1 1 24 24 ARG N N 15 . -9.866 . . . . . . 1 24 ARG H 1 24 ARG N 16820 1 4 DHN . 1 1 25 25 ILE H H 1 . . 1 1 25 25 ILE N N 15 . 10.464 . . . . . . 1 25 ILE H 1 25 ILE N 16820 1 5 DHN . 1 1 26 26 ASN H H 1 . . 1 1 26 26 ASN N N 15 . 9.832 . . . . . . 1 26 ASN H 1 26 ASN N 16820 1 6 DHN . 1 1 27 27 VAL H H 1 . . 1 1 27 27 VAL N N 15 . 15.128 . . . . . . 1 27 VAL H 1 27 VAL N 16820 1 7 DHN . 1 1 28 28 VAL H H 1 . . 1 1 28 28 VAL N N 15 . 14.162 . . . . . . 1 28 VAL H 1 28 VAL N 16820 1 8 DHN . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP N N 15 . 6.526 . . . . . . 1 29 ASP H 1 29 ASP N 16820 1 9 DHN . 1 1 31 31 GLU H H 1 . . 1 1 31 31 GLU N N 15 . 3.528 . . . . . . 1 31 GLU H 1 31 GLU N 16820 1 10 DHN . 1 1 32 32 THR H H 1 . . 1 1 32 32 THR N N 15 . 0.214 . . . . . . 1 32 THR H 1 32 THR N 16820 1 11 DHN . 1 1 33 33 GLY H H 1 . . 1 1 33 33 GLY N N 15 . 8.454 . . . . . . 1 33 GLY H 1 33 GLY N 16820 1 12 DHN . 1 1 34 34 LYS H H 1 . . 1 1 34 34 LYS N N 15 . -16.256 . . . . . . 1 34 LYS H 1 34 LYS N 16820 1 13 DHN . 1 1 36 36 GLU H H 1 . . 1 1 36 36 GLU N N 15 . 12.614 . . . . . . 1 36 GLU H 1 36 GLU N 16820 1 14 DHN . 1 1 37 37 ILE H H 1 . . 1 1 37 37 ILE N N 15 . 13.892 . . . . . . 1 37 ILE H 1 37 ILE N 16820 1 15 DHN . 1 1 38 38 ALA H H 1 . . 1 1 38 38 ALA N N 15 . 12.528 . . . . . . 1 38 ALA H 1 38 ALA N 16820 1 16 DHN . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU N N 15 . -6.832 . . . . . . 1 39 GLU H 1 39 GLU N 16820 1 17 DHN . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE N N 15 . -16.380 . . . . . . 1 40 ILE H 1 40 ILE N 16820 1 18 DHN . 1 1 41 41 ARG H H 1 . . 1 1 41 41 ARG N N 15 . -15.750 . . . . . . 1 41 ARG H 1 41 ARG N 16820 1 19 DHN . 1 1 43 43 VAL H H 1 . . 1 1 43 43 VAL N N 15 . -1.618 . . . . . . 1 43 VAL H 1 43 VAL N 16820 1 20 DHN . 1 1 44 44 VAL H H 1 . . 1 1 44 44 VAL N N 15 . 5.778 . . . . . . 1 44 VAL H 1 44 VAL N 16820 1 21 DHN . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE N N 15 . 2.968 . . . . . . 1 57 ILE H 1 57 ILE N 16820 1 22 DHN . 1 1 61 61 GLY H H 1 . . 1 1 61 61 GLY N N 15 . 12.000 . . . . . . 1 61 GLY H 1 61 GLY N 16820 1 23 DHN . 1 1 62 62 ALA H H 1 . . 1 1 62 62 ALA N N 15 . -13.448 . . . . . . 1 62 ALA H 1 62 ALA N 16820 1 24 DHN . 1 1 63 63 VAL H H 1 . . 1 1 63 63 VAL N N 15 . 8.086 . . . . . . 1 63 VAL H 1 63 VAL N 16820 1 25 DHN . 1 1 64 64 VAL H H 1 . . 1 1 64 64 VAL N N 15 . 1.434 . . . . . . 1 64 VAL H 1 64 VAL N 16820 1 26 DHN . 1 1 65 65 GLU H H 1 . . 1 1 65 65 GLU N N 15 . -11.116 . . . . . . 1 65 GLU H 1 65 GLU N 16820 1 27 DHN . 1 1 66 66 THR H H 1 . . 1 1 66 66 THR N N 15 . -23.106 . . . . . . 1 66 THR H 1 66 THR N 16820 1 28 DHN . 1 1 67 67 ASN H H 1 . . 1 1 67 67 ASN N N 15 . -14.288 . . . . . . 1 67 ASN H 1 67 ASN N 16820 1 29 DHN . 1 1 68 68 LEU H H 1 . . 1 1 68 68 LEU N N 15 . -0.996 . . . . . . 1 68 LEU H 1 68 LEU N 16820 1 30 DHN . 1 1 69 69 GLY H H 1 . . 1 1 69 69 GLY N N 15 . -18.298 . . . . . . 1 69 GLY H 1 69 GLY N 16820 1 31 DHN . 1 1 70 70 ASN H H 1 . . 1 1 70 70 ASN N N 15 . -19.508 . . . . . . 1 70 ASN H 1 70 ASN N 16820 1 32 DHN . 1 1 71 71 VAL H H 1 . . 1 1 71 71 VAL N N 15 . -8.502 . . . . . . 1 71 VAL H 1 71 VAL N 16820 1 33 DHN . 1 1 72 72 ARG H H 1 . . 1 1 72 72 ARG N N 15 . -0.666 . . . . . . 1 72 ARG H 1 72 ARG N 16820 1 34 DHN . 1 1 73 73 VAL H H 1 . . 1 1 73 73 VAL N N 15 . 8.502 . . . . . . 1 73 VAL H 1 73 VAL N 16820 1 35 DHN . 1 1 74 74 THR H H 1 . . 1 1 74 74 THR N N 15 . 13.018 . . . . . . 1 74 THR H 1 74 THR N 16820 1 36 DHN . 1 1 75 75 SER H H 1 . . 1 1 75 75 SER N N 15 . 12.588 . . . . . . 1 75 SER H 1 75 SER N 16820 1 37 DHN . 1 1 80 80 ASP H H 1 . . 1 1 80 80 ASP N N 15 . -2.586 . . . . . . 1 80 ASP H 1 80 ASP N 16820 1 38 DHN . 1 1 81 81 GLY H H 1 . . 1 1 81 81 GLY N N 15 . 10.312 . . . . . . 1 81 GLY H 1 81 GLY N 16820 1 39 DHN . 1 1 82 82 VAL H H 1 . . 1 1 82 82 VAL N N 15 . 6.962 . . . . . . 1 82 VAL H 1 82 VAL N 16820 1 40 DHN . 1 1 83 83 ILE H H 1 . . 1 1 83 83 ILE N N 15 . 13.508 . . . . . . 1 83 ILE H 1 83 ILE N 16820 1 41 DHN . 1 1 85 85 GLY H H 1 . . 1 1 85 85 GLY N N 15 . 14.646 . . . . . . 1 85 GLY H 1 85 GLY N 16820 1 42 DHN . 1 1 86 86 VAL H H 1 . . 1 1 86 86 VAL N N 15 . 11.014 . . . . . . 1 86 VAL H 1 86 VAL N 16820 1 43 DHN . 1 1 87 87 LEU H H 1 . . 1 1 87 87 LEU N N 15 . 8.344 . . . . . . 1 87 LEU H 1 87 LEU N 16820 1 44 DHN . 1 1 88 88 ILE H H 1 . . 1 1 88 88 ILE N N 15 . 5.838 . . . . . . 1 88 ILE H 1 88 ILE N 16820 1 45 DHN . 1 1 89 89 ARG H H 1 . . 1 1 89 89 ARG N N 15 . 10.918 . . . . . . 1 89 ARG H 1 89 ARG N 16820 1 stop_ save_