data_18406 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18406 _Entry.Title ; Solid-state NMR sequential assignments of Sup35NM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-19 _Entry.Accession_date 2012-04-19 _Entry.Last_release_date 2014-02-11 _Entry.Original_release_date 2014-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Details 'Solid-state NMR sequential assignments of the Sup35NM fibrillar core.' _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 Anne Schuetz . K. . 18406 2 Nina Luckgei . T. . 18406 3 Birgit Habenstein . . . 18406 4 Beat Meier . H. . 18406 5 Anja Boeckmann . . . 18406 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 'not applicable' 'not applicable' . 18406 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hepatitis C - RMN du Solide' . 18406 2 . 'Physical Chemistry' . 18406 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'amyloid fibrils' . 18406 prion . 18406 Sup35NM . 18406 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18406 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 85 18406 '15N chemical shifts' 31 18406 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 . . 2014-02-11 2012-04-19 original author . 18406 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15379 'solution Sup35 NM' 18406 BMRB 17473 'chimeric sup35 prion' 18406 BMRB 18407 'solid state Sup35p' 18406 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18406 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23934139 _Citation.Full_citation . _Citation.Title 'Solid-state NMR sequential assignments of the amyloid core of Sup35pNM' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _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 2013 _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 Nina Luckgei . T. . 18406 1 2 Anne Schuetz . K. . 18406 1 3 Birgit Habenstein . . . 18406 1 4 Luc Bousset . K. . 18406 1 5 Yannick Sourigues . . . 18406 1 6 Ronald Melki . K. . 18406 1 7 Beat Meier . H. . 18406 1 8 Anja Boeckmann . . . 18406 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18406 _Assembly.ID 1 _Assembly.Name Sup35NM _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 . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 61371.6064 _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 Sup35NM 1 $Sup35NM A . yes native no no . . . 18406 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sup35NM _Entity.Sf_category entity _Entity.Sf_framecode Sup35NM _Entity.Entry_ID 18406 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sup35NM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MSDSNQGNNQQNYQQYSQNG NQQQGNNRYQGYQAYNAQAQ PAGGYYQNYQGYSGYQQGGY QQYNPDAGYQQQYNPQGGYQ QYNPQGGYQQQFNPQGGRGN YKNFNYNNNLQGYQAGFQPQ SQGMSLNDFQKQQKQAAPKP KKTLKLVSSSGIKLANATKK VGTKPAESDKKEEEKSAETK EPTKEPTKVEEPVKKEEKPV QTEEKTEEKSELPKVEDLKI SESTHNTNNANVTSADALIK EQEEEVDDEVVND ; _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 273 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 30685.8032 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15379 . Sup35-NM . . . . . 92.67 259 100.00 100.00 3.56e-174 . . . . 18406 1 2 no BMRB 18407 . Sup35 . . . . . 100.00 705 100.00 100.00 0.00e+00 . . . . 18406 1 3 no DBJ GAA22402 . "K7_Sup35p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 92.67 685 98.02 98.42 5.29e-167 . . . . 18406 1 4 no EMBL CAA30155 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 92.67 685 100.00 100.00 5.19e-172 . . . . 18406 1 5 no EMBL CAA68760 . "GST1 [Saccharomyces cerevisiae]" . . . . . 92.67 685 99.60 99.60 1.32e-171 . . . . 18406 1 6 no EMBL CAA86677 . "Sup2p [Saccharomyces cerevisiae]" . . . . . 92.67 685 100.00 100.00 5.19e-172 . . . . 18406 1 7 no EMBL CAY78675 . "Sup35p [Saccharomyces cerevisiae EC1118]" . . . . . 92.67 685 98.81 99.21 6.13e-169 . . . . 18406 1 8 no GB AAA35133 . "omnipotent suppressor (alt.) [Saccharomyces cerevisiae]" . . . . . 92.67 685 100.00 100.00 5.19e-172 . . . . 18406 1 9 no GB AAF99684 . "SUP35 allosuppressor mutant sal3-4 [Saccharomyces cerevisiae]" . . . . . 92.67 685 100.00 100.00 6.81e-172 . . . . 18406 1 10 no GB AAK26176 . "prion protein [Saccharomyces cerevisiae]" . . . . . 92.67 685 99.60 99.60 7.10e-171 . . . . 18406 1 11 no GB AAK26180 . "prion protein [Saccharomyces cerevisiae]" . . . . . 92.67 685 99.60 99.60 7.10e-171 . . . . 18406 1 12 no GB AAK26182 . "prion protein, partial [Saccharomyces cerevisiae]" . . . . . 88.64 242 99.59 99.59 1.70e-164 . . . . 18406 1 13 no REF NP_010457 . "translation termination factor GTPase eRF3 [Saccharomyces cerevisiae S288c]" . . . . . 92.67 685 100.00 100.00 5.19e-172 . . . . 18406 1 14 no SP P05453 . "RecName: Full=Eukaryotic peptide chain release factor GTP-binding subunit; AltName: Full=ERF-3; Short=ERF3; AltName: Full=ERF2;" . . . . . 92.67 685 100.00 100.00 5.19e-172 . . . . 18406 1 15 no TPG DAA12014 . "TPA: translation termination factor GTPase eRF3 [Saccharomyces cerevisiae S288c]" . . . . . 92.67 685 100.00 100.00 5.19e-172 . . . . 18406 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 -20 MET . 18406 1 2 -19 GLY . 18406 1 3 -18 SER . 18406 1 4 -17 SER . 18406 1 5 -16 HIS . 18406 1 6 -15 HIS . 18406 1 7 -14 HIS . 18406 1 8 -13 HIS . 18406 1 9 -12 HIS . 18406 1 10 -11 HIS . 18406 1 11 -10 SER . 18406 1 12 -9 SER . 18406 1 13 -8 GLY . 18406 1 14 -7 LEU . 18406 1 15 -6 VAL . 18406 1 16 -5 PRO . 18406 1 17 -4 ARG . 18406 1 18 -3 GLY . 18406 1 19 -2 SER . 18406 1 20 -1 HIS . 18406 1 21 1 MET . 18406 1 22 2 SER . 18406 1 23 3 ASP . 18406 1 24 4 SER . 18406 1 25 5 ASN . 18406 1 26 6 GLN . 18406 1 27 7 GLY . 18406 1 28 8 ASN . 18406 1 29 9 ASN . 18406 1 30 10 GLN . 18406 1 31 11 GLN . 18406 1 32 12 ASN . 18406 1 33 13 TYR . 18406 1 34 14 GLN . 18406 1 35 15 GLN . 18406 1 36 16 TYR . 18406 1 37 17 SER . 18406 1 38 18 GLN . 18406 1 39 19 ASN . 18406 1 40 20 GLY . 18406 1 41 21 ASN . 18406 1 42 22 GLN . 18406 1 43 23 GLN . 18406 1 44 24 GLN . 18406 1 45 25 GLY . 18406 1 46 26 ASN . 18406 1 47 27 ASN . 18406 1 48 28 ARG . 18406 1 49 29 TYR . 18406 1 50 30 GLN . 18406 1 51 31 GLY . 18406 1 52 32 TYR . 18406 1 53 33 GLN . 18406 1 54 34 ALA . 18406 1 55 35 TYR . 18406 1 56 36 ASN . 18406 1 57 37 ALA . 18406 1 58 38 GLN . 18406 1 59 39 ALA . 18406 1 60 40 GLN . 18406 1 61 41 PRO . 18406 1 62 42 ALA . 18406 1 63 43 GLY . 18406 1 64 44 GLY . 18406 1 65 45 TYR . 18406 1 66 46 TYR . 18406 1 67 47 GLN . 18406 1 68 48 ASN . 18406 1 69 49 TYR . 18406 1 70 50 GLN . 18406 1 71 51 GLY . 18406 1 72 52 TYR . 18406 1 73 53 SER . 18406 1 74 54 GLY . 18406 1 75 55 TYR . 18406 1 76 56 GLN . 18406 1 77 57 GLN . 18406 1 78 58 GLY . 18406 1 79 59 GLY . 18406 1 80 60 TYR . 18406 1 81 61 GLN . 18406 1 82 62 GLN . 18406 1 83 63 TYR . 18406 1 84 64 ASN . 18406 1 85 65 PRO . 18406 1 86 66 ASP . 18406 1 87 67 ALA . 18406 1 88 68 GLY . 18406 1 89 69 TYR . 18406 1 90 70 GLN . 18406 1 91 71 GLN . 18406 1 92 72 GLN . 18406 1 93 73 TYR . 18406 1 94 74 ASN . 18406 1 95 75 PRO . 18406 1 96 76 GLN . 18406 1 97 77 GLY . 18406 1 98 78 GLY . 18406 1 99 79 TYR . 18406 1 100 80 GLN . 18406 1 101 81 GLN . 18406 1 102 82 TYR . 18406 1 103 83 ASN . 18406 1 104 84 PRO . 18406 1 105 85 GLN . 18406 1 106 86 GLY . 18406 1 107 87 GLY . 18406 1 108 88 TYR . 18406 1 109 89 GLN . 18406 1 110 90 GLN . 18406 1 111 91 GLN . 18406 1 112 92 PHE . 18406 1 113 93 ASN . 18406 1 114 94 PRO . 18406 1 115 95 GLN . 18406 1 116 96 GLY . 18406 1 117 97 GLY . 18406 1 118 98 ARG . 18406 1 119 99 GLY . 18406 1 120 100 ASN . 18406 1 121 101 TYR . 18406 1 122 102 LYS . 18406 1 123 103 ASN . 18406 1 124 104 PHE . 18406 1 125 105 ASN . 18406 1 126 106 TYR . 18406 1 127 107 ASN . 18406 1 128 108 ASN . 18406 1 129 109 ASN . 18406 1 130 110 LEU . 18406 1 131 111 GLN . 18406 1 132 112 GLY . 18406 1 133 113 TYR . 18406 1 134 114 GLN . 18406 1 135 115 ALA . 18406 1 136 116 GLY . 18406 1 137 117 PHE . 18406 1 138 118 GLN . 18406 1 139 119 PRO . 18406 1 140 120 GLN . 18406 1 141 121 SER . 18406 1 142 122 GLN . 18406 1 143 123 GLY . 18406 1 144 124 MET . 18406 1 145 125 SER . 18406 1 146 126 LEU . 18406 1 147 127 ASN . 18406 1 148 128 ASP . 18406 1 149 129 PHE . 18406 1 150 130 GLN . 18406 1 151 131 LYS . 18406 1 152 132 GLN . 18406 1 153 133 GLN . 18406 1 154 134 LYS . 18406 1 155 135 GLN . 18406 1 156 136 ALA . 18406 1 157 137 ALA . 18406 1 158 138 PRO . 18406 1 159 139 LYS . 18406 1 160 140 PRO . 18406 1 161 141 LYS . 18406 1 162 142 LYS . 18406 1 163 143 THR . 18406 1 164 144 LEU . 18406 1 165 145 LYS . 18406 1 166 146 LEU . 18406 1 167 147 VAL . 18406 1 168 148 SER . 18406 1 169 149 SER . 18406 1 170 150 SER . 18406 1 171 151 GLY . 18406 1 172 152 ILE . 18406 1 173 153 LYS . 18406 1 174 154 LEU . 18406 1 175 155 ALA . 18406 1 176 156 ASN . 18406 1 177 157 ALA . 18406 1 178 158 THR . 18406 1 179 159 LYS . 18406 1 180 160 LYS . 18406 1 181 161 VAL . 18406 1 182 162 GLY . 18406 1 183 163 THR . 18406 1 184 164 LYS . 18406 1 185 165 PRO . 18406 1 186 166 ALA . 18406 1 187 167 GLU . 18406 1 188 168 SER . 18406 1 189 169 ASP . 18406 1 190 170 LYS . 18406 1 191 171 LYS . 18406 1 192 172 GLU . 18406 1 193 173 GLU . 18406 1 194 174 GLU . 18406 1 195 175 LYS . 18406 1 196 176 SER . 18406 1 197 177 ALA . 18406 1 198 178 GLU . 18406 1 199 179 THR . 18406 1 200 180 LYS . 18406 1 201 181 GLU . 18406 1 202 182 PRO . 18406 1 203 183 THR . 18406 1 204 184 LYS . 18406 1 205 185 GLU . 18406 1 206 186 PRO . 18406 1 207 187 THR . 18406 1 208 188 LYS . 18406 1 209 189 VAL . 18406 1 210 190 GLU . 18406 1 211 191 GLU . 18406 1 212 192 PRO . 18406 1 213 193 VAL . 18406 1 214 194 LYS . 18406 1 215 195 LYS . 18406 1 216 196 GLU . 18406 1 217 197 GLU . 18406 1 218 198 LYS . 18406 1 219 199 PRO . 18406 1 220 200 VAL . 18406 1 221 201 GLN . 18406 1 222 202 THR . 18406 1 223 203 GLU . 18406 1 224 204 GLU . 18406 1 225 205 LYS . 18406 1 226 206 THR . 18406 1 227 207 GLU . 18406 1 228 208 GLU . 18406 1 229 209 LYS . 18406 1 230 210 SER . 18406 1 231 211 GLU . 18406 1 232 212 LEU . 18406 1 233 213 PRO . 18406 1 234 214 LYS . 18406 1 235 215 VAL . 18406 1 236 216 GLU . 18406 1 237 217 ASP . 18406 1 238 218 LEU . 18406 1 239 219 LYS . 18406 1 240 220 ILE . 18406 1 241 221 SER . 18406 1 242 222 GLU . 18406 1 243 223 SER . 18406 1 244 224 THR . 18406 1 245 225 HIS . 18406 1 246 226 ASN . 18406 1 247 227 THR . 18406 1 248 228 ASN . 18406 1 249 229 ASN . 18406 1 250 230 ALA . 18406 1 251 231 ASN . 18406 1 252 232 VAL . 18406 1 253 233 THR . 18406 1 254 234 SER . 18406 1 255 235 ALA . 18406 1 256 236 ASP . 18406 1 257 237 ALA . 18406 1 258 238 LEU . 18406 1 259 239 ILE . 18406 1 260 240 LYS . 18406 1 261 241 GLU . 18406 1 262 242 GLN . 18406 1 263 243 GLU . 18406 1 264 244 GLU . 18406 1 265 245 GLU . 18406 1 266 246 VAL . 18406 1 267 247 ASP . 18406 1 268 248 ASP . 18406 1 269 249 GLU . 18406 1 270 250 VAL . 18406 1 271 251 VAL . 18406 1 272 252 ASN . 18406 1 273 253 ASP . 18406 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 18406 1 . GLY 2 2 18406 1 . SER 3 3 18406 1 . SER 4 4 18406 1 . HIS 5 5 18406 1 . HIS 6 6 18406 1 . HIS 7 7 18406 1 . HIS 8 8 18406 1 . HIS 9 9 18406 1 . HIS 10 10 18406 1 . SER 11 11 18406 1 . SER 12 12 18406 1 . GLY 13 13 18406 1 . LEU 14 14 18406 1 . VAL 15 15 18406 1 . PRO 16 16 18406 1 . ARG 17 17 18406 1 . GLY 18 18 18406 1 . SER 19 19 18406 1 . HIS 20 20 18406 1 . MET 21 21 18406 1 . SER 22 22 18406 1 . ASP 23 23 18406 1 . SER 24 24 18406 1 . ASN 25 25 18406 1 . GLN 26 26 18406 1 . GLY 27 27 18406 1 . ASN 28 28 18406 1 . ASN 29 29 18406 1 . GLN 30 30 18406 1 . GLN 31 31 18406 1 . ASN 32 32 18406 1 . TYR 33 33 18406 1 . GLN 34 34 18406 1 . GLN 35 35 18406 1 . TYR 36 36 18406 1 . SER 37 37 18406 1 . GLN 38 38 18406 1 . ASN 39 39 18406 1 . GLY 40 40 18406 1 . ASN 41 41 18406 1 . GLN 42 42 18406 1 . GLN 43 43 18406 1 . GLN 44 44 18406 1 . GLY 45 45 18406 1 . ASN 46 46 18406 1 . ASN 47 47 18406 1 . ARG 48 48 18406 1 . TYR 49 49 18406 1 . GLN 50 50 18406 1 . GLY 51 51 18406 1 . TYR 52 52 18406 1 . GLN 53 53 18406 1 . ALA 54 54 18406 1 . TYR 55 55 18406 1 . ASN 56 56 18406 1 . ALA 57 57 18406 1 . GLN 58 58 18406 1 . ALA 59 59 18406 1 . GLN 60 60 18406 1 . PRO 61 61 18406 1 . ALA 62 62 18406 1 . GLY 63 63 18406 1 . GLY 64 64 18406 1 . TYR 65 65 18406 1 . TYR 66 66 18406 1 . GLN 67 67 18406 1 . ASN 68 68 18406 1 . TYR 69 69 18406 1 . GLN 70 70 18406 1 . GLY 71 71 18406 1 . TYR 72 72 18406 1 . SER 73 73 18406 1 . GLY 74 74 18406 1 . TYR 75 75 18406 1 . GLN 76 76 18406 1 . GLN 77 77 18406 1 . GLY 78 78 18406 1 . GLY 79 79 18406 1 . TYR 80 80 18406 1 . GLN 81 81 18406 1 . GLN 82 82 18406 1 . TYR 83 83 18406 1 . ASN 84 84 18406 1 . PRO 85 85 18406 1 . ASP 86 86 18406 1 . ALA 87 87 18406 1 . GLY 88 88 18406 1 . TYR 89 89 18406 1 . GLN 90 90 18406 1 . GLN 91 91 18406 1 . GLN 92 92 18406 1 . TYR 93 93 18406 1 . ASN 94 94 18406 1 . PRO 95 95 18406 1 . GLN 96 96 18406 1 . GLY 97 97 18406 1 . GLY 98 98 18406 1 . TYR 99 99 18406 1 . GLN 100 100 18406 1 . GLN 101 101 18406 1 . TYR 102 102 18406 1 . ASN 103 103 18406 1 . PRO 104 104 18406 1 . GLN 105 105 18406 1 . GLY 106 106 18406 1 . GLY 107 107 18406 1 . TYR 108 108 18406 1 . GLN 109 109 18406 1 . GLN 110 110 18406 1 . GLN 111 111 18406 1 . PHE 112 112 18406 1 . ASN 113 113 18406 1 . PRO 114 114 18406 1 . GLN 115 115 18406 1 . GLY 116 116 18406 1 . GLY 117 117 18406 1 . ARG 118 118 18406 1 . GLY 119 119 18406 1 . ASN 120 120 18406 1 . TYR 121 121 18406 1 . LYS 122 122 18406 1 . ASN 123 123 18406 1 . PHE 124 124 18406 1 . ASN 125 125 18406 1 . TYR 126 126 18406 1 . ASN 127 127 18406 1 . ASN 128 128 18406 1 . ASN 129 129 18406 1 . LEU 130 130 18406 1 . GLN 131 131 18406 1 . GLY 132 132 18406 1 . TYR 133 133 18406 1 . GLN 134 134 18406 1 . ALA 135 135 18406 1 . GLY 136 136 18406 1 . PHE 137 137 18406 1 . GLN 138 138 18406 1 . PRO 139 139 18406 1 . GLN 140 140 18406 1 . SER 141 141 18406 1 . GLN 142 142 18406 1 . GLY 143 143 18406 1 . MET 144 144 18406 1 . SER 145 145 18406 1 . LEU 146 146 18406 1 . ASN 147 147 18406 1 . ASP 148 148 18406 1 . PHE 149 149 18406 1 . GLN 150 150 18406 1 . LYS 151 151 18406 1 . GLN 152 152 18406 1 . GLN 153 153 18406 1 . LYS 154 154 18406 1 . GLN 155 155 18406 1 . ALA 156 156 18406 1 . ALA 157 157 18406 1 . PRO 158 158 18406 1 . LYS 159 159 18406 1 . PRO 160 160 18406 1 . LYS 161 161 18406 1 . LYS 162 162 18406 1 . THR 163 163 18406 1 . LEU 164 164 18406 1 . LYS 165 165 18406 1 . LEU 166 166 18406 1 . VAL 167 167 18406 1 . SER 168 168 18406 1 . SER 169 169 18406 1 . SER 170 170 18406 1 . GLY 171 171 18406 1 . ILE 172 172 18406 1 . LYS 173 173 18406 1 . LEU 174 174 18406 1 . ALA 175 175 18406 1 . ASN 176 176 18406 1 . ALA 177 177 18406 1 . THR 178 178 18406 1 . LYS 179 179 18406 1 . LYS 180 180 18406 1 . VAL 181 181 18406 1 . GLY 182 182 18406 1 . THR 183 183 18406 1 . LYS 184 184 18406 1 . PRO 185 185 18406 1 . ALA 186 186 18406 1 . GLU 187 187 18406 1 . SER 188 188 18406 1 . ASP 189 189 18406 1 . LYS 190 190 18406 1 . LYS 191 191 18406 1 . GLU 192 192 18406 1 . GLU 193 193 18406 1 . GLU 194 194 18406 1 . LYS 195 195 18406 1 . SER 196 196 18406 1 . ALA 197 197 18406 1 . GLU 198 198 18406 1 . THR 199 199 18406 1 . LYS 200 200 18406 1 . GLU 201 201 18406 1 . PRO 202 202 18406 1 . THR 203 203 18406 1 . LYS 204 204 18406 1 . GLU 205 205 18406 1 . PRO 206 206 18406 1 . THR 207 207 18406 1 . LYS 208 208 18406 1 . VAL 209 209 18406 1 . GLU 210 210 18406 1 . GLU 211 211 18406 1 . PRO 212 212 18406 1 . VAL 213 213 18406 1 . LYS 214 214 18406 1 . LYS 215 215 18406 1 . GLU 216 216 18406 1 . GLU 217 217 18406 1 . LYS 218 218 18406 1 . PRO 219 219 18406 1 . VAL 220 220 18406 1 . GLN 221 221 18406 1 . THR 222 222 18406 1 . GLU 223 223 18406 1 . GLU 224 224 18406 1 . LYS 225 225 18406 1 . THR 226 226 18406 1 . GLU 227 227 18406 1 . GLU 228 228 18406 1 . LYS 229 229 18406 1 . SER 230 230 18406 1 . GLU 231 231 18406 1 . LEU 232 232 18406 1 . PRO 233 233 18406 1 . LYS 234 234 18406 1 . VAL 235 235 18406 1 . GLU 236 236 18406 1 . ASP 237 237 18406 1 . LEU 238 238 18406 1 . LYS 239 239 18406 1 . ILE 240 240 18406 1 . SER 241 241 18406 1 . GLU 242 242 18406 1 . SER 243 243 18406 1 . THR 244 244 18406 1 . HIS 245 245 18406 1 . ASN 246 246 18406 1 . THR 247 247 18406 1 . ASN 248 248 18406 1 . ASN 249 249 18406 1 . ALA 250 250 18406 1 . ASN 251 251 18406 1 . VAL 252 252 18406 1 . THR 253 253 18406 1 . SER 254 254 18406 1 . ALA 255 255 18406 1 . ASP 256 256 18406 1 . ALA 257 257 18406 1 . LEU 258 258 18406 1 . ILE 259 259 18406 1 . LYS 260 260 18406 1 . GLU 261 261 18406 1 . GLN 262 262 18406 1 . GLU 263 263 18406 1 . GLU 264 264 18406 1 . GLU 265 265 18406 1 . VAL 266 266 18406 1 . ASP 267 267 18406 1 . ASP 268 268 18406 1 . GLU 269 269 18406 1 . VAL 270 270 18406 1 . VAL 271 271 18406 1 . ASN 272 272 18406 1 . ASP 273 273 18406 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 18406 _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 $Sup35NM . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 18406 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 18406 _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 $Sup35NM . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21-CodonPlus . . . . . . . . . . . . . . . pET15b . . . . . . 18406 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sup35NM_1 _Sample.Sf_category sample _Sample.Sf_framecode Sup35NM_1 _Sample.Entry_ID 18406 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'destilled water' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'destilled water' _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 Sup35NM '[U-100% 13C; U-100% 15N]' . . 1 $Sup35NM . . 15 . . mg 2 . . . 18406 1 stop_ save_ ####################### # Sample conditions # ####################### save_Condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition _Sample_condition_list.Entry_ID 18406 _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 'ionic strength' 0 . M 18406 1 pH 7.000 . pH 18406 1 pressure 1.000 . atm 18406 1 temperature 273 . K 18406 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18406 _Software.ID 1 _Software.Name ANALYSIS _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18406 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18406 1 stop_ save_ save_ccpNmr _Software.Sf_category software _Software.Sf_framecode ccpNmr _Software.Entry_ID 18406 _Software.ID 2 _Software.Name CcpNMR _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18406 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 18406 2 'Spectrum display' 18406 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Spectrometer _NMR_spectrometer.Entry_ID 18406 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details WB _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18406 _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 Bruker Avance . 850 WB . . 18406 1 stop_ save_ save_LLC _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode LLC _NMR_spectrometer_probe.Entry_ID 18406 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model '3.2 mm Bruker LLC' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID MAS 18406 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 18406 _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 'DARR 20 ms' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 2 NCA no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 3 NCACB no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 4 CANCO no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 5 NCOCX no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 6 NCACO no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 7 'DARR 100 ms' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 8 NCOCA no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 9 NCACX no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 10 CCC no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 11 'HC INEPT' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 12 NCO no 1 $NMR_spectrometer_expt . . . . . . . . 1 $Sup35NM_1 solid . . 1 $Condition . . . 1 $Spectrometer 1 $LLC . . . . . . . . . . . . . . 18406 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18406 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID 1 _NMR_spec_expt.NMR_spectrometer_probe_label $LLC _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference _Chem_shift_reference.Entry_ID 18406 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.97 internal indirect 0.25144953 . . . . . . . . . 18406 1 N 15 water protons . . . . ppm 4.97 internal indirect 0.10132912 . . . . . . . . . 18406 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference _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 'DARR 20 ms' 1 $Sup35NM_1 solid 18406 1 2 NCA 1 $Sup35NM_1 solid 18406 1 3 NCACB 1 $Sup35NM_1 solid 18406 1 4 CANCO 1 $Sup35NM_1 solid 18406 1 5 NCOCX 1 $Sup35NM_1 solid 18406 1 6 NCACO 1 $Sup35NM_1 solid 18406 1 7 'DARR 100 ms' 1 $Sup35NM_1 solid 18406 1 8 NCOCA 1 $Sup35NM_1 solid 18406 1 9 NCACX 1 $Sup35NM_1 solid 18406 1 10 CCC 1 $Sup35NM_1 solid 18406 1 11 'HC INEPT' 1 $Sup35NM_1 solid 18406 1 12 NCO 1 $Sup35NM_1 solid 18406 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 24 24 SER C C 13 174.101 0.119 . 1 . 165 . . 4 SER C . 18406 1 2 . 1 1 24 24 SER CA C 13 58.758 0.140 . 1 . 166 . . 4 SER CA . 18406 1 3 . 1 1 24 24 SER CB C 13 60.786 0.100 . 1 . 167 . . 4 SER CB . 18406 1 4 . 1 1 24 24 SER N N 15 114.231 0.153 . 1 . 168 . . 4 SER N . 18406 1 5 . 1 1 25 25 ASN C C 13 175.622 0.081 . 1 . 112 . . 5 ASN C . 18406 1 6 . 1 1 25 25 ASN CA C 13 55.897 0.082 . 1 . 113 . . 5 ASN CA . 18406 1 7 . 1 1 25 25 ASN CB C 13 40.158 0.125 . 1 . 115 . . 5 ASN CB . 18406 1 8 . 1 1 25 25 ASN CG C 13 177.114 0.066 . 1 . 308 . . 5 ASN CG . 18406 1 9 . 1 1 25 25 ASN N N 15 116.589 0.133 . 1 . 114 . . 5 ASN N . 18406 1 10 . 1 1 25 25 ASN ND2 N 15 119.186 0.170 . 1 . 369 . . 5 ASN ND2 . 18406 1 11 . 1 1 26 26 GLN C C 13 176.341 0.023 . 1 . 160 . . 6 GLN C . 18406 1 12 . 1 1 26 26 GLN CA C 13 55.180 0.144 . 1 . 161 . . 6 GLN CA . 18406 1 13 . 1 1 26 26 GLN CB C 13 32.317 0.115 . 1 . 164 . . 6 GLN CB . 18406 1 14 . 1 1 26 26 GLN CG C 13 34.192 0.121 . 1 . 309 . . 6 GLN CG . 18406 1 15 . 1 1 26 26 GLN CD C 13 180.433 0.140 . 1 . 372 . . 6 GLN CD . 18406 1 16 . 1 1 26 26 GLN N N 15 121.369 0.128 . 1 . 162 . . 6 GLN N . 18406 1 17 . 1 1 26 26 GLN NE2 N 15 111.875 0.146 . 1 . 373 . . 6 GLN NE2 . 18406 1 18 . 1 1 27 27 GLY C C 13 173.796 0.091 . 1 . 97 . . 7 GLY C . 18406 1 19 . 1 1 27 27 GLY CA C 13 43.914 0.098 . 1 . 98 . . 7 GLY CA . 18406 1 20 . 1 1 27 27 GLY N N 15 105.979 0.150 . 1 . 99 . . 7 GLY N . 18406 1 21 . 1 1 28 28 ASN C C 13 176.723 0.097 . 1 . 147 . . 8 ASN C . 18406 1 22 . 1 1 28 28 ASN CA C 13 53.121 0.130 . 1 . 148 . . 8 ASN CA . 18406 1 23 . 1 1 28 28 ASN CB C 13 39.283 0.105 . 1 . 310 . . 8 ASN CB . 18406 1 24 . 1 1 28 28 ASN N N 15 121.095 0.330 . 1 . 149 . . 8 ASN N . 18406 1 25 . 1 1 29 29 ASN C C 13 173.965 0.088 . 1 . 143 . . 9 ASN C . 18406 1 26 . 1 1 29 29 ASN CA C 13 54.436 0.090 . 1 . 144 . . 9 ASN CA . 18406 1 27 . 1 1 29 29 ASN CB C 13 37.134 0.087 . 1 . 146 . . 9 ASN CB . 18406 1 28 . 1 1 29 29 ASN CG C 13 178.304 0.105 . 1 . 374 . . 9 ASN CG . 18406 1 29 . 1 1 29 29 ASN N N 15 121.511 0.152 . 1 . 145 . . 9 ASN N . 18406 1 30 . 1 1 30 30 GLN C C 13 175.490 0.068 . 1 . 131 . . 10 GLN C . 18406 1 31 . 1 1 30 30 GLN CA C 13 56.399 0.119 . 1 . 132 . . 10 GLN CA . 18406 1 32 . 1 1 30 30 GLN CB C 13 30.357 0.085 . 1 . 133 . . 10 GLN CB . 18406 1 33 . 1 1 30 30 GLN CG C 13 34.665 0.147 . 1 . 311 . . 10 GLN CG . 18406 1 34 . 1 1 30 30 GLN CD C 13 179.464 0.076 . 1 . 312 . . 10 GLN CD . 18406 1 35 . 1 1 30 30 GLN N N 15 121.714 0.252 . 1 . 134 . . 10 GLN N . 18406 1 36 . 1 1 30 30 GLN NE2 N 15 114.698 0.093 . 1 . 364 . . 10 GLN NE2 . 18406 1 37 . 1 1 31 31 GLN C C 13 173.193 0.132 . 1 . 127 . . 11 GLN C . 18406 1 38 . 1 1 31 31 GLN CA C 13 54.561 0.127 . 1 . 128 . . 11 GLN CA . 18406 1 39 . 1 1 31 31 GLN CB C 13 32.614 0.111 . 1 . 129 . . 11 GLN CB . 18406 1 40 . 1 1 31 31 GLN CG C 13 33.704 0.098 . 1 . 313 . . 11 GLN CG . 18406 1 41 . 1 1 31 31 GLN CD C 13 178.570 0.047 . 1 . 314 . . 11 GLN CD . 18406 1 42 . 1 1 31 31 GLN N N 15 126.876 0.208 . 1 . 130 . . 11 GLN N . 18406 1 43 . 1 1 31 31 GLN NE2 N 15 110.675 0.002 . 1 . 367 . . 11 GLN NE2 . 18406 1 44 . 1 1 32 32 ASN C C 13 172.112 0.100 . 1 . 123 . . 12 ASN C . 18406 1 45 . 1 1 32 32 ASN CA C 13 52.406 0.086 . 1 . 124 . . 12 ASN CA . 18406 1 46 . 1 1 32 32 ASN CB C 13 43.348 0.104 . 1 . 126 . . 12 ASN CB . 18406 1 47 . 1 1 32 32 ASN CG C 13 176.983 0.100 . 1 . 315 . . 12 ASN CG . 18406 1 48 . 1 1 32 32 ASN N N 15 120.836 0.139 . 1 . 125 . . 12 ASN N . 18406 1 49 . 1 1 32 32 ASN ND2 N 15 120.390 0.001 . 1 . 370 . . 12 ASN ND2 . 18406 1 50 . 1 1 33 33 TYR C C 13 173.963 0.092 . 1 . 137 . . 13 TYR C . 18406 1 51 . 1 1 33 33 TYR CA C 13 56.871 0.113 . 1 . 136 . . 13 TYR CA . 18406 1 52 . 1 1 33 33 TYR CB C 13 39.693 0.155 . 1 . 138 . . 13 TYR CB . 18406 1 53 . 1 1 33 33 TYR CG C 13 130.839 0.015 . 1 . 1488 . . 13 TYR CG . 18406 1 54 . 1 1 33 33 TYR CD1 C 13 132.557 0.014 . 3 . 1491 . . 13 TYR CD1 . 18406 1 55 . 1 1 33 33 TYR CD2 C 13 132.557 0.014 . 3 . 1491 . . 13 TYR CD2 . 18406 1 56 . 1 1 33 33 TYR CE1 C 13 118.397 0.014 . 3 . 1490 . . 13 TYR CE1 . 18406 1 57 . 1 1 33 33 TYR CE2 C 13 118.397 0.014 . 3 . 1490 . . 13 TYR CE2 . 18406 1 58 . 1 1 33 33 TYR CZ C 13 156.569 0.014 . 1 . 1489 . . 13 TYR CZ . 18406 1 59 . 1 1 33 33 TYR N N 15 123.508 0.173 . 1 . 135 . . 13 TYR N . 18406 1 60 . 1 1 34 34 GLN C C 13 175.621 0.012 . 1 . 141 . . 14 GLN C . 18406 1 61 . 1 1 34 34 GLN CA C 13 55.294 0.125 . 1 . 140 . . 14 GLN CA . 18406 1 62 . 1 1 34 34 GLN CB C 13 32.734 0.337 . 1 . 326 . . 14 GLN CB . 18406 1 63 . 1 1 34 34 GLN CG C 13 33.046 0.045 . 1 . 350 . . 14 GLN CG . 18406 1 64 . 1 1 34 34 GLN CD C 13 178.861 0.090 . 1 . 317 . . 14 GLN CD . 18406 1 65 . 1 1 34 34 GLN N N 15 125.898 0.216 . 1 . 142 . . 14 GLN N . 18406 1 66 . 1 1 34 34 GLN NE2 N 15 109.133 0.065 . 1 . 365 . . 14 GLN NE2 . 18406 1 67 . 1 1 37 37 SER C C 13 174.867 0.066 . 1 . 174 . . 17 SER C . 18406 1 68 . 1 1 37 37 SER CA C 13 59.153 0.167 . 1 . 175 . . 17 SER CA . 18406 1 69 . 1 1 37 37 SER CB C 13 60.919 0.062 . 1 . 318 . . 17 SER CB . 18406 1 70 . 1 1 37 37 SER N N 15 107.263 0.228 . 1 . 176 . . 17 SER N . 18406 1 71 . 1 1 38 38 GLN C C 13 174.649 0.008 . 1 . 615 . . 18 GLN C . 18406 1 72 . 1 1 38 38 GLN CA C 13 55.271 0.076 . 1 . 614 . . 18 GLN CA . 18406 1 73 . 1 1 38 38 GLN CB C 13 31.626 0.008 . 1 . 616 . . 18 GLN CB . 18406 1 74 . 1 1 38 38 GLN N N 15 121.040 0.214 . 1 . 613 . . 18 GLN N . 18406 1 75 . 1 1 40 40 GLY C C 13 174.069 0.076 . 1 . 119 . . 20 GLY C . 18406 1 76 . 1 1 40 40 GLY CA C 13 45.827 0.030 . 1 . 181 . . 20 GLY CA . 18406 1 77 . 1 1 40 40 GLY N N 15 109.982 0.000 . 1 . 182 . . 20 GLY N . 18406 1 78 . 1 1 41 41 ASN C C 13 175.916 0.049 . 1 . 116 . . 21 ASN C . 18406 1 79 . 1 1 41 41 ASN CA C 13 52.402 0.081 . 1 . 117 . . 21 ASN CA . 18406 1 80 . 1 1 41 41 ASN CB C 13 39.310 0.014 . 1 . 320 . . 21 ASN CB . 18406 1 81 . 1 1 41 41 ASN CG C 13 176.875 0.060 . 1 . 321 . . 21 ASN CG . 18406 1 82 . 1 1 41 41 ASN N N 15 119.800 0.250 . 1 . 118 . . 21 ASN N . 18406 1 83 . 1 1 42 42 GLN C C 13 176.463 0.058 . 1 . 122 . . 22 GLN C . 18406 1 84 . 1 1 42 42 GLN CA C 13 55.138 0.092 . 1 . 121 . . 22 GLN CA . 18406 1 85 . 1 1 42 42 GLN CB C 13 32.847 0.033 . 1 . 307 . . 22 GLN CB . 18406 1 86 . 1 1 42 42 GLN CG C 13 33.355 0.063 . 1 . 375 . . 22 GLN CG . 18406 1 87 . 1 1 42 42 GLN CD C 13 178.130 0.036 . 1 . 319 . . 22 GLN CD . 18406 1 88 . 1 1 42 42 GLN N N 15 116.400 0.173 . 1 . 120 . . 22 GLN N . 18406 1 89 . 1 1 42 42 GLN NE2 N 15 112.528 0.000 . 1 . 368 . . 22 GLN NE2 . 18406 1 90 . 1 1 43 43 GLN C C 13 175.941 0.078 . 1 . 151 . . 23 GLN C . 18406 1 91 . 1 1 43 43 GLN CA C 13 53.985 0.083 . 1 . 152 . . 23 GLN CA . 18406 1 92 . 1 1 43 43 GLN CB C 13 32.112 0.169 . 1 . 155 . . 23 GLN CB . 18406 1 93 . 1 1 43 43 GLN CD C 13 178.377 0.102 . 1 . 325 . . 23 GLN CD . 18406 1 94 . 1 1 43 43 GLN N N 15 123.442 0.193 . 1 . 153 . . 23 GLN N . 18406 1 95 . 1 1 43 43 GLN NE2 N 15 107.336 0.070 . 1 . 371 . . 23 GLN NE2 . 18406 1 96 . 1 1 44 44 GLN C C 13 174.649 0.081 . 1 . 158 . . 24 GLN C . 18406 1 97 . 1 1 44 44 GLN CA C 13 55.437 0.133 . 1 . 157 . . 24 GLN CA . 18406 1 98 . 1 1 44 44 GLN CB C 13 27.733 0.112 . 1 . 159 . . 24 GLN CB . 18406 1 99 . 1 1 44 44 GLN CG C 13 32.775 0.096 . 1 . 323 . . 24 GLN CG . 18406 1 100 . 1 1 44 44 GLN CD C 13 177.328 0.124 . 1 . 324 . . 24 GLN CD . 18406 1 101 . 1 1 44 44 GLN N N 15 132.865 0.173 . 1 . 156 . . 24 GLN N . 18406 1 102 . 1 1 44 44 GLN NE2 N 15 107.360 0.085 . 1 . 366 . . 24 GLN NE2 . 18406 1 103 . 1 1 45 45 GLY C C 13 171.181 0.080 . 1 . 101 . . 25 GLY C . 18406 1 104 . 1 1 45 45 GLY CA C 13 44.207 0.120 . 1 . 102 . . 25 GLY CA . 18406 1 105 . 1 1 45 45 GLY N N 15 113.067 0.266 . 1 . 103 . . 25 GLY N . 18406 1 106 . 1 1 46 46 ASN C C 13 175.080 0.098 . 1 . 104 . . 26 ASN C . 18406 1 107 . 1 1 46 46 ASN CA C 13 51.837 0.086 . 1 . 105 . . 26 ASN CA . 18406 1 108 . 1 1 46 46 ASN CB C 13 42.014 0.097 . 1 . 107 . . 26 ASN CB . 18406 1 109 . 1 1 46 46 ASN CG C 13 177.150 0.094 . 1 . 322 . . 26 ASN CG . 18406 1 110 . 1 1 46 46 ASN N N 15 115.217 0.182 . 1 . 106 . . 26 ASN N . 18406 1 111 . 1 1 47 47 ASN C C 13 177.245 0.065 . 1 . 172 . . 27 ASN C . 18406 1 112 . 1 1 47 47 ASN CA C 13 52.407 0.082 . 1 . 110 . . 27 ASN CA . 18406 1 113 . 1 1 47 47 ASN CB C 13 43.967 0.148 . 1 . 111 . . 27 ASN CB . 18406 1 114 . 1 1 47 47 ASN CG C 13 174.904 0.134 . 1 . 376 . . 27 ASN CG . 18406 1 115 . 1 1 47 47 ASN N N 15 114.990 0.062 . 1 . 109 . . 27 ASN N . 18406 1 116 . 1 1 48 48 ARG N N 15 118.300 0.047 . 1 . 173 . . 28 ARG N . 18406 1 stop_ save_