data_27037 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27037 _Entry.Title ; Alanine chemical shifts of the N-terminal domain (residues 1-215) of HtpG, the Hsp90 from Escherichia coli. Northeast Structural Genomics Consortium Target ER697A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-24 _Entry.Accession_date 2017-02-24 _Entry.Last_release_date 2017-02-27 _Entry.Original_release_date 2017-02-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Theresa Ramelot . A. . . 27037 2 Kari Pederson . . . . 27037 3 Huang Wang . . . . 27037 4 Melissa Maglaqui . . . . 27037 5 Lei Mao . . . . 27037 6 Rong Xiao . A. . . 27037 7 Thomas Acton . B. . . 27037 8 John Everett . K. . . 27037 9 James Prestegard . H. . . 27037 10 Gaetano Montelione . T. . . 27037 11 Michael Kennedy . A. . . 27037 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 27037 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27037 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 39 27037 '15N chemical shifts' 13 27037 '1H chemical shifts' 65 27037 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-06-30 2017-02-24 update BMRB 'update entry citation' 27037 1 . . 2017-06-30 2017-02-24 original author 'original release' 27037 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27038 'C-terminal dimerization domain (residues 511-624) of HtpG' 27037 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27037 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28653216 _Citation.Full_citation . _Citation.Title ; NMR characterization of HtpG, the E. coli Hsp90, using sparse labeling with (13)C-methyl alanine ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 68 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-5001 _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 225 _Citation.Page_last 236 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kari Pederson K. . . . 27037 1 2 Gordon Chalmers G. R. . . 27037 1 3 Qi Gao Q. . . . 27037 1 4 Daniel Elnatan D. . . . 27037 1 5 Theresa Ramelot T. A. . . 27037 1 6 Li-Chung Ma L. C. . . 27037 1 7 Gaetano Montelione G. T. . . 27037 1 8 Michael Kennedy M. A. . . 27037 1 9 David Agard D. A. . . 27037 1 10 James Prestegard J. H. . . 27037 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Hsp90 27037 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27037 _Assembly.ID 1 _Assembly.Name NTD _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 NTD 1 $NTD A . yes native no no . . . 27037 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NTD _Entity.Sf_category entity _Entity.Sf_framecode NTD _Entity.Entry_ID 27037 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KGQETRGFQSEVKQLLHLMI HSLYSNKEIFLRELISNASD AADKLRFRALSNPDLYEGDG ELRVRVSFDKDKRTLTISDN GVGMTRDEVIDHLGTIAKSG TKSFLESLGSDQAKDSQLIG QFGVGFYSAFIVADKVTVRT RAAGEKPENGVFWESAGEGE YTVADITKEDRGTEITLHLR EGEDEFLDDWRVRSIISKYS DHIALPVEIEKREE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; 10 N-terminal residues not included: MGHHHHHHSH ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Hsp90 27037 1 chaperone 27037 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 2 LYS . 27037 1 2 3 GLY . 27037 1 3 4 GLN . 27037 1 4 5 GLU . 27037 1 5 6 THR . 27037 1 6 7 ARG . 27037 1 7 8 GLY . 27037 1 8 9 PHE . 27037 1 9 10 GLN . 27037 1 10 11 SER . 27037 1 11 12 GLU . 27037 1 12 13 VAL . 27037 1 13 14 LYS . 27037 1 14 15 GLN . 27037 1 15 16 LEU . 27037 1 16 17 LEU . 27037 1 17 18 HIS . 27037 1 18 19 LEU . 27037 1 19 20 MET . 27037 1 20 21 ILE . 27037 1 21 22 HIS . 27037 1 22 23 SER . 27037 1 23 24 LEU . 27037 1 24 25 TYR . 27037 1 25 26 SER . 27037 1 26 27 ASN . 27037 1 27 28 LYS . 27037 1 28 29 GLU . 27037 1 29 30 ILE . 27037 1 30 31 PHE . 27037 1 31 32 LEU . 27037 1 32 33 ARG . 27037 1 33 34 GLU . 27037 1 34 35 LEU . 27037 1 35 36 ILE . 27037 1 36 37 SER . 27037 1 37 38 ASN . 27037 1 38 39 ALA . 27037 1 39 40 SER . 27037 1 40 41 ASP . 27037 1 41 42 ALA . 27037 1 42 43 ALA . 27037 1 43 44 ASP . 27037 1 44 45 LYS . 27037 1 45 46 LEU . 27037 1 46 47 ARG . 27037 1 47 48 PHE . 27037 1 48 49 ARG . 27037 1 49 50 ALA . 27037 1 50 51 LEU . 27037 1 51 52 SER . 27037 1 52 53 ASN . 27037 1 53 54 PRO . 27037 1 54 55 ASP . 27037 1 55 56 LEU . 27037 1 56 57 TYR . 27037 1 57 58 GLU . 27037 1 58 59 GLY . 27037 1 59 60 ASP . 27037 1 60 61 GLY . 27037 1 61 62 GLU . 27037 1 62 63 LEU . 27037 1 63 64 ARG . 27037 1 64 65 VAL . 27037 1 65 66 ARG . 27037 1 66 67 VAL . 27037 1 67 68 SER . 27037 1 68 69 PHE . 27037 1 69 70 ASP . 27037 1 70 71 LYS . 27037 1 71 72 ASP . 27037 1 72 73 LYS . 27037 1 73 74 ARG . 27037 1 74 75 THR . 27037 1 75 76 LEU . 27037 1 76 77 THR . 27037 1 77 78 ILE . 27037 1 78 79 SER . 27037 1 79 80 ASP . 27037 1 80 81 ASN . 27037 1 81 82 GLY . 27037 1 82 83 VAL . 27037 1 83 84 GLY . 27037 1 84 85 MET . 27037 1 85 86 THR . 27037 1 86 87 ARG . 27037 1 87 88 ASP . 27037 1 88 89 GLU . 27037 1 89 90 VAL . 27037 1 90 91 ILE . 27037 1 91 92 ASP . 27037 1 92 93 HIS . 27037 1 93 94 LEU . 27037 1 94 95 GLY . 27037 1 95 96 THR . 27037 1 96 97 ILE . 27037 1 97 98 ALA . 27037 1 98 99 LYS . 27037 1 99 100 SER . 27037 1 100 101 GLY . 27037 1 101 102 THR . 27037 1 102 103 LYS . 27037 1 103 104 SER . 27037 1 104 105 PHE . 27037 1 105 106 LEU . 27037 1 106 107 GLU . 27037 1 107 108 SER . 27037 1 108 109 LEU . 27037 1 109 110 GLY . 27037 1 110 111 SER . 27037 1 111 112 ASP . 27037 1 112 113 GLN . 27037 1 113 114 ALA . 27037 1 114 115 LYS . 27037 1 115 116 ASP . 27037 1 116 117 SER . 27037 1 117 118 GLN . 27037 1 118 119 LEU . 27037 1 119 120 ILE . 27037 1 120 121 GLY . 27037 1 121 122 GLN . 27037 1 122 123 PHE . 27037 1 123 124 GLY . 27037 1 124 125 VAL . 27037 1 125 126 GLY . 27037 1 126 127 PHE . 27037 1 127 128 TYR . 27037 1 128 129 SER . 27037 1 129 130 ALA . 27037 1 130 131 PHE . 27037 1 131 132 ILE . 27037 1 132 133 VAL . 27037 1 133 134 ALA . 27037 1 134 135 ASP . 27037 1 135 136 LYS . 27037 1 136 137 VAL . 27037 1 137 138 THR . 27037 1 138 139 VAL . 27037 1 139 140 ARG . 27037 1 140 141 THR . 27037 1 141 142 ARG . 27037 1 142 143 ALA . 27037 1 143 144 ALA . 27037 1 144 145 GLY . 27037 1 145 146 GLU . 27037 1 146 147 LYS . 27037 1 147 148 PRO . 27037 1 148 149 GLU . 27037 1 149 150 ASN . 27037 1 150 151 GLY . 27037 1 151 152 VAL . 27037 1 152 153 PHE . 27037 1 153 154 TRP . 27037 1 154 155 GLU . 27037 1 155 156 SER . 27037 1 156 157 ALA . 27037 1 157 158 GLY . 27037 1 158 159 GLU . 27037 1 159 160 GLY . 27037 1 160 161 GLU . 27037 1 161 162 TYR . 27037 1 162 163 THR . 27037 1 163 164 VAL . 27037 1 164 165 ALA . 27037 1 165 166 ASP . 27037 1 166 167 ILE . 27037 1 167 168 THR . 27037 1 168 169 LYS . 27037 1 169 170 GLU . 27037 1 170 171 ASP . 27037 1 171 172 ARG . 27037 1 172 173 GLY . 27037 1 173 174 THR . 27037 1 174 175 GLU . 27037 1 175 176 ILE . 27037 1 176 177 THR . 27037 1 177 178 LEU . 27037 1 178 179 HIS . 27037 1 179 180 LEU . 27037 1 180 181 ARG . 27037 1 181 182 GLU . 27037 1 182 183 GLY . 27037 1 183 184 GLU . 27037 1 184 185 ASP . 27037 1 185 186 GLU . 27037 1 186 187 PHE . 27037 1 187 188 LEU . 27037 1 188 189 ASP . 27037 1 189 190 ASP . 27037 1 190 191 TRP . 27037 1 191 192 ARG . 27037 1 192 193 VAL . 27037 1 193 194 ARG . 27037 1 194 195 SER . 27037 1 195 196 ILE . 27037 1 196 197 ILE . 27037 1 197 198 SER . 27037 1 198 199 LYS . 27037 1 199 200 TYR . 27037 1 200 201 SER . 27037 1 201 202 ASP . 27037 1 202 203 HIS . 27037 1 203 204 ILE . 27037 1 204 205 ALA . 27037 1 205 206 LEU . 27037 1 206 207 PRO . 27037 1 207 208 VAL . 27037 1 208 209 GLU . 27037 1 209 210 ILE . 27037 1 210 211 GLU . 27037 1 211 212 LYS . 27037 1 212 213 ARG . 27037 1 213 214 GLU . 27037 1 214 215 GLU . 27037 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 . LYS 1 1 27037 1 . GLY 2 2 27037 1 . GLN 3 3 27037 1 . GLU 4 4 27037 1 . THR 5 5 27037 1 . ARG 6 6 27037 1 . GLY 7 7 27037 1 . PHE 8 8 27037 1 . GLN 9 9 27037 1 . SER 10 10 27037 1 . GLU 11 11 27037 1 . VAL 12 12 27037 1 . LYS 13 13 27037 1 . GLN 14 14 27037 1 . LEU 15 15 27037 1 . LEU 16 16 27037 1 . HIS 17 17 27037 1 . LEU 18 18 27037 1 . MET 19 19 27037 1 . ILE 20 20 27037 1 . HIS 21 21 27037 1 . SER 22 22 27037 1 . LEU 23 23 27037 1 . TYR 24 24 27037 1 . SER 25 25 27037 1 . ASN 26 26 27037 1 . LYS 27 27 27037 1 . GLU 28 28 27037 1 . ILE 29 29 27037 1 . PHE 30 30 27037 1 . LEU 31 31 27037 1 . ARG 32 32 27037 1 . GLU 33 33 27037 1 . LEU 34 34 27037 1 . ILE 35 35 27037 1 . SER 36 36 27037 1 . ASN 37 37 27037 1 . ALA 38 38 27037 1 . SER 39 39 27037 1 . ASP 40 40 27037 1 . ALA 41 41 27037 1 . ALA 42 42 27037 1 . ASP 43 43 27037 1 . LYS 44 44 27037 1 . LEU 45 45 27037 1 . ARG 46 46 27037 1 . PHE 47 47 27037 1 . ARG 48 48 27037 1 . ALA 49 49 27037 1 . LEU 50 50 27037 1 . SER 51 51 27037 1 . ASN 52 52 27037 1 . PRO 53 53 27037 1 . ASP 54 54 27037 1 . LEU 55 55 27037 1 . TYR 56 56 27037 1 . GLU 57 57 27037 1 . GLY 58 58 27037 1 . ASP 59 59 27037 1 . GLY 60 60 27037 1 . GLU 61 61 27037 1 . LEU 62 62 27037 1 . ARG 63 63 27037 1 . VAL 64 64 27037 1 . ARG 65 65 27037 1 . VAL 66 66 27037 1 . SER 67 67 27037 1 . PHE 68 68 27037 1 . ASP 69 69 27037 1 . LYS 70 70 27037 1 . ASP 71 71 27037 1 . LYS 72 72 27037 1 . ARG 73 73 27037 1 . THR 74 74 27037 1 . LEU 75 75 27037 1 . THR 76 76 27037 1 . ILE 77 77 27037 1 . SER 78 78 27037 1 . ASP 79 79 27037 1 . ASN 80 80 27037 1 . GLY 81 81 27037 1 . VAL 82 82 27037 1 . GLY 83 83 27037 1 . MET 84 84 27037 1 . THR 85 85 27037 1 . ARG 86 86 27037 1 . ASP 87 87 27037 1 . GLU 88 88 27037 1 . VAL 89 89 27037 1 . ILE 90 90 27037 1 . ASP 91 91 27037 1 . HIS 92 92 27037 1 . LEU 93 93 27037 1 . GLY 94 94 27037 1 . THR 95 95 27037 1 . ILE 96 96 27037 1 . ALA 97 97 27037 1 . LYS 98 98 27037 1 . SER 99 99 27037 1 . GLY 100 100 27037 1 . THR 101 101 27037 1 . LYS 102 102 27037 1 . SER 103 103 27037 1 . PHE 104 104 27037 1 . LEU 105 105 27037 1 . GLU 106 106 27037 1 . SER 107 107 27037 1 . LEU 108 108 27037 1 . GLY 109 109 27037 1 . SER 110 110 27037 1 . ASP 111 111 27037 1 . GLN 112 112 27037 1 . ALA 113 113 27037 1 . LYS 114 114 27037 1 . ASP 115 115 27037 1 . SER 116 116 27037 1 . GLN 117 117 27037 1 . LEU 118 118 27037 1 . ILE 119 119 27037 1 . GLY 120 120 27037 1 . GLN 121 121 27037 1 . PHE 122 122 27037 1 . GLY 123 123 27037 1 . VAL 124 124 27037 1 . GLY 125 125 27037 1 . PHE 126 126 27037 1 . TYR 127 127 27037 1 . SER 128 128 27037 1 . ALA 129 129 27037 1 . PHE 130 130 27037 1 . ILE 131 131 27037 1 . VAL 132 132 27037 1 . ALA 133 133 27037 1 . ASP 134 134 27037 1 . LYS 135 135 27037 1 . VAL 136 136 27037 1 . THR 137 137 27037 1 . VAL 138 138 27037 1 . ARG 139 139 27037 1 . THR 140 140 27037 1 . ARG 141 141 27037 1 . ALA 142 142 27037 1 . ALA 143 143 27037 1 . GLY 144 144 27037 1 . GLU 145 145 27037 1 . LYS 146 146 27037 1 . PRO 147 147 27037 1 . GLU 148 148 27037 1 . ASN 149 149 27037 1 . GLY 150 150 27037 1 . VAL 151 151 27037 1 . PHE 152 152 27037 1 . TRP 153 153 27037 1 . GLU 154 154 27037 1 . SER 155 155 27037 1 . ALA 156 156 27037 1 . GLY 157 157 27037 1 . GLU 158 158 27037 1 . GLY 159 159 27037 1 . GLU 160 160 27037 1 . TYR 161 161 27037 1 . THR 162 162 27037 1 . VAL 163 163 27037 1 . ALA 164 164 27037 1 . ASP 165 165 27037 1 . ILE 166 166 27037 1 . THR 167 167 27037 1 . LYS 168 168 27037 1 . GLU 169 169 27037 1 . ASP 170 170 27037 1 . ARG 171 171 27037 1 . GLY 172 172 27037 1 . THR 173 173 27037 1 . GLU 174 174 27037 1 . ILE 175 175 27037 1 . THR 176 176 27037 1 . LEU 177 177 27037 1 . HIS 178 178 27037 1 . LEU 179 179 27037 1 . ARG 180 180 27037 1 . GLU 181 181 27037 1 . GLY 182 182 27037 1 . GLU 183 183 27037 1 . ASP 184 184 27037 1 . GLU 185 185 27037 1 . PHE 186 186 27037 1 . LEU 187 187 27037 1 . ASP 188 188 27037 1 . ASP 189 189 27037 1 . TRP 190 190 27037 1 . ARG 191 191 27037 1 . VAL 192 192 27037 1 . ARG 193 193 27037 1 . SER 194 194 27037 1 . ILE 195 195 27037 1 . ILE 196 196 27037 1 . SER 197 197 27037 1 . LYS 198 198 27037 1 . TYR 199 199 27037 1 . SER 200 200 27037 1 . ASP 201 201 27037 1 . HIS 202 202 27037 1 . ILE 203 203 27037 1 . ALA 204 204 27037 1 . LEU 205 205 27037 1 . PRO 206 206 27037 1 . VAL 207 207 27037 1 . GLU 208 208 27037 1 . ILE 209 209 27037 1 . GLU 210 210 27037 1 . LYS 211 211 27037 1 . ARG 212 212 27037 1 . GLU 213 213 27037 1 . GLU 214 214 27037 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 27037 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NTD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . HtpG . 27037 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 27037 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) + Magic' . . . . . pET15_NESG . . . 27037 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27037 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NC sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NTD '[U-100% 13C; U-100% 15N]' . . 1 $NTD . . 0.49 . . mM . . . . 27037 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 27037 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27037 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27037 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27037 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27037 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'sample conditions 1' 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' 0.1 0.01 M 27037 1 pH 7.5 .1 pH 27037 1 pressure 1 . atm 27037 1 temperature 308 1 K 27037 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27037 _Software.ID 1 _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' . . 27037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27037 1 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27037 _Software.ID 2 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27037 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27037 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27037 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27037 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 27037 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 27037 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27037 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27037 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27037 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27037 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27037 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600v _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600v _NMR_spectrometer.Entry_ID 27037 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_850 _NMR_spectrometer.Entry_ID 27037 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_600b _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600b _NMR_spectrometer.Entry_ID 27037 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27037 _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_600v Varian INOVA . 600 . . . 27037 1 2 spectrometer_850 Bruker Avance . 850 . . . 27037 1 3 spectrometer_600b Bruker Avance . 600 . . . 27037 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 27037 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 2 '2D 1H-15N HSQC NH2 only' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 3 '2D 1H-13C HSQC CT aliphatic' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 4 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 27037 1 5 '3D HN(CA)CO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_600b . . . . . . . . . . . . . . . . 27037 1 6 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 27037 1 7 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 27037 1 8 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 9 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 10 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 11 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 12 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 13 '3D HN(CO)CA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600v . . . . . . . . . . . . . . . . 27037 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 27037 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _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_600v _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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 600v loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID ER697A_Nhsqc_hires_3_4_15_600v.fid 'NMR experiment directory' . . . . . . . . 27037 1 stop_ save_ save_2D_1H-13C_HSQC_CT_aliphatic _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-13C_HSQC_CT_aliphatic _NMR_spec_expt.Entry_ID 27037 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC CT aliphatic' _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_600v _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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 600v loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID ER697A_Chsqc_ct_4_13_15_600v.fid 'NMR experiment directory' . . . . . . . . 27037 2 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27037 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27037 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27037 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27037 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27037 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27037 1 3 '2D 1H-13C HSQC CT aliphatic' . . . 27037 1 5 '3D HN(CA)CO' . . . 27037 1 6 '3D 1H-15N NOESY' . . . 27037 1 8 '3D CBCA(CO)NH' . . . 27037 1 9 '3D HNCACB' . . . 27037 1 10 '3D HBHA(CO)NH' . . . 27037 1 11 '3D HNCO' . . . 27037 1 12 '3D HNCA' . . . 27037 1 13 '3D HN(CO)CA' . . . 27037 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 27037 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 38 38 ALA H H 1 7.50 0.02 . 1 . . . . 39 ALA H . 27037 1 2 . 1 1 38 38 ALA HA H 1 4.26 0.02 . 1 . . . . 39 ALA HA . 27037 1 3 . 1 1 38 38 ALA HB1 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 27037 1 4 . 1 1 38 38 ALA HB2 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 27037 1 5 . 1 1 38 38 ALA HB3 H 1 1.45 0.02 . 1 . . . . 39 ALA MB . 27037 1 6 . 1 1 38 38 ALA C C 13 178.8 0.2 . 1 . . . . 39 ALA C . 27037 1 7 . 1 1 38 38 ALA CA C 13 55.0 0.2 . 1 . . . . 39 ALA CA . 27037 1 8 . 1 1 38 38 ALA CB C 13 18.7 0.2 . 1 . . . . 39 ALA CB . 27037 1 9 . 1 1 38 38 ALA N N 15 123.9 0.2 . 1 . . . . 39 ALA N . 27037 1 10 . 1 1 41 41 ALA H H 1 8.18 0.02 . 1 . . . . 42 ALA H . 27037 1 11 . 1 1 41 41 ALA HA H 1 4.20 0.02 . 1 . . . . 42 ALA HA . 27037 1 12 . 1 1 41 41 ALA HB1 H 1 1.74 0.02 . 1 . . . . 42 ALA MB . 27037 1 13 . 1 1 41 41 ALA HB2 H 1 1.74 0.02 . 1 . . . . 42 ALA MB . 27037 1 14 . 1 1 41 41 ALA HB3 H 1 1.74 0.02 . 1 . . . . 42 ALA MB . 27037 1 15 . 1 1 41 41 ALA C C 13 181.5 0.2 . 1 . . . . 42 ALA C . 27037 1 16 . 1 1 41 41 ALA CA C 13 54.9 0.2 . 1 . . . . 42 ALA CA . 27037 1 17 . 1 1 41 41 ALA CB C 13 18.9 0.2 . 1 . . . . 42 ALA CB . 27037 1 18 . 1 1 41 41 ALA N N 15 122.7 0.2 . 1 . . . . 42 ALA N . 27037 1 19 . 1 1 42 42 ALA H H 1 8.47 0.02 . 1 . . . . 43 ALA H . 27037 1 20 . 1 1 42 42 ALA HA H 1 4.16 0.02 . 1 . . . . 43 ALA HA . 27037 1 21 . 1 1 42 42 ALA HB1 H 1 1.63 0.02 . 1 . . . . 43 ALA MB . 27037 1 22 . 1 1 42 42 ALA HB2 H 1 1.63 0.02 . 1 . . . . 43 ALA MB . 27037 1 23 . 1 1 42 42 ALA HB3 H 1 1.63 0.02 . 1 . . . . 43 ALA MB . 27037 1 24 . 1 1 42 42 ALA C C 13 178.8 0.2 . 1 . . . . 43 ALA C . 27037 1 25 . 1 1 42 42 ALA CA C 13 55.3 0.2 . 1 . . . . 43 ALA CA . 27037 1 26 . 1 1 42 42 ALA CB C 13 19.1 0.2 . 1 . . . . 43 ALA CB . 27037 1 27 . 1 1 42 42 ALA N N 15 124.3 0.2 . 1 . . . . 43 ALA N . 27037 1 28 . 1 1 49 49 ALA H H 1 8.75 0.02 . 1 . . . . 50 ALA H . 27037 1 29 . 1 1 49 49 ALA HA H 1 4.06 0.02 . 1 . . . . 50 ALA HA . 27037 1 30 . 1 1 49 49 ALA HB1 H 1 0.86 0.02 . 1 . . . . 50 ALA MB . 27037 1 31 . 1 1 49 49 ALA HB2 H 1 0.86 0.02 . 1 . . . . 50 ALA MB . 27037 1 32 . 1 1 49 49 ALA HB3 H 1 0.86 0.02 . 1 . . . . 50 ALA MB . 27037 1 33 . 1 1 49 49 ALA C C 13 178.8 0.2 . 1 . . . . 50 ALA C . 27037 1 34 . 1 1 49 49 ALA CA C 13 52.5 0.2 . 1 . . . . 50 ALA CA . 27037 1 35 . 1 1 49 49 ALA CB C 13 18.4 0.2 . 1 . . . . 50 ALA CB . 27037 1 36 . 1 1 49 49 ALA N N 15 120.1 0.2 . 1 . . . . 50 ALA N . 27037 1 37 . 1 1 97 97 ALA H H 1 8.07 0.02 . 1 . . . . 98 ALA H . 27037 1 38 . 1 1 97 97 ALA HA H 1 4.26 0.02 . 1 . . . . 98 ALA HA . 27037 1 39 . 1 1 97 97 ALA HB1 H 1 1.36 0.02 . 1 . . . . 98 ALA MB . 27037 1 40 . 1 1 97 97 ALA HB2 H 1 1.36 0.02 . 1 . . . . 98 ALA MB . 27037 1 41 . 1 1 97 97 ALA HB3 H 1 1.36 0.02 . 1 . . . . 98 ALA MB . 27037 1 42 . 1 1 97 97 ALA C C 13 177.8 0.2 . 1 . . . . 98 ALA C . 27037 1 43 . 1 1 97 97 ALA CA C 13 52.9 0.2 . 1 . . . . 98 ALA CA . 27037 1 44 . 1 1 97 97 ALA CB C 13 19.2 0.2 . 1 . . . . 98 ALA CB . 27037 1 45 . 1 1 97 97 ALA N N 15 125.2 0.2 . 1 . . . . 98 ALA N . 27037 1 46 . 1 1 113 113 ALA H H 1 8.16 0.02 . 1 . . . . 114 ALA H . 27037 1 47 . 1 1 113 113 ALA HA H 1 4.26 0.02 . 1 . . . . 114 ALA HA . 27037 1 48 . 1 1 113 113 ALA HB1 H 1 1.43 0.02 . 1 . . . . 114 ALA MB . 27037 1 49 . 1 1 113 113 ALA HB2 H 1 1.43 0.02 . 1 . . . . 114 ALA MB . 27037 1 50 . 1 1 113 113 ALA HB3 H 1 1.43 0.02 . 1 . . . . 114 ALA MB . 27037 1 51 . 1 1 113 113 ALA C C 13 178.5 0.2 . 1 . . . . 114 ALA C . 27037 1 52 . 1 1 113 113 ALA CA C 13 53.3 0.2 . 1 . . . . 114 ALA CA . 27037 1 53 . 1 1 113 113 ALA CB C 13 18.9 0.2 . 1 . . . . 114 ALA CB . 27037 1 54 . 1 1 113 113 ALA N N 15 123.5 0.2 . 1 . . . . 114 ALA N . 27037 1 55 . 1 1 129 129 ALA H H 1 7.81 0.02 . 1 . . . . 130 ALA H . 27037 1 56 . 1 1 129 129 ALA HA H 1 3.57 0.02 . 1 . . . . 130 ALA HA . 27037 1 57 . 1 1 129 129 ALA HB1 H 1 0.93 0.02 . 1 . . . . 130 ALA MB . 27037 1 58 . 1 1 129 129 ALA HB2 H 1 0.93 0.02 . 1 . . . . 130 ALA MB . 27037 1 59 . 1 1 129 129 ALA HB3 H 1 0.93 0.02 . 1 . . . . 130 ALA MB . 27037 1 60 . 1 1 129 129 ALA C C 13 178.3 0.2 . 1 . . . . 130 ALA C . 27037 1 61 . 1 1 129 129 ALA CA C 13 54.8 0.2 . 1 . . . . 130 ALA CA . 27037 1 62 . 1 1 129 129 ALA CB C 13 18.9 0.2 . 1 . . . . 130 ALA CB . 27037 1 63 . 1 1 129 129 ALA N N 15 123.9 0.2 . 1 . . . . 130 ALA N . 27037 1 64 . 1 1 133 133 ALA H H 1 7.68 0.02 . 1 . . . . 134 ALA H . 27037 1 65 . 1 1 133 133 ALA HA H 1 5.11 0.02 . 1 . . . . 134 ALA HA . 27037 1 66 . 1 1 133 133 ALA HB1 H 1 0.95 0.02 . 1 . . . . 134 ALA MB . 27037 1 67 . 1 1 133 133 ALA HB2 H 1 0.95 0.02 . 1 . . . . 134 ALA MB . 27037 1 68 . 1 1 133 133 ALA HB3 H 1 0.95 0.02 . 1 . . . . 134 ALA MB . 27037 1 69 . 1 1 133 133 ALA C C 13 175.1 0.2 . 1 . . . . 134 ALA C . 27037 1 70 . 1 1 133 133 ALA CA C 13 51.1 0.2 . 1 . . . . 134 ALA CA . 27037 1 71 . 1 1 133 133 ALA CB C 13 23.0 0.2 . 1 . . . . 134 ALA CB . 27037 1 72 . 1 1 133 133 ALA N N 15 124.9 0.2 . 1 . . . . 134 ALA N . 27037 1 73 . 1 1 142 142 ALA H H 1 8.69 0.02 . 1 . . . . 143 ALA H . 27037 1 74 . 1 1 142 142 ALA HA H 1 5.01 0.02 . 1 . . . . 143 ALA HA . 27037 1 75 . 1 1 142 142 ALA HB1 H 1 1.21 0.02 . 1 . . . . 143 ALA MB . 27037 1 76 . 1 1 142 142 ALA HB2 H 1 1.21 0.02 . 1 . . . . 143 ALA MB . 27037 1 77 . 1 1 142 142 ALA HB3 H 1 1.21 0.02 . 1 . . . . 143 ALA MB . 27037 1 78 . 1 1 142 142 ALA C C 13 178.5 0.2 . 1 . . . . 143 ALA C . 27037 1 79 . 1 1 142 142 ALA CA C 13 51.0 0.2 . 1 . . . . 143 ALA CA . 27037 1 80 . 1 1 142 142 ALA CB C 13 20.3 0.2 . 1 . . . . 143 ALA CB . 27037 1 81 . 1 1 142 142 ALA N N 15 129.9 0.2 . 1 . . . . 143 ALA N . 27037 1 82 . 1 1 143 143 ALA H H 1 8.71 0.02 . 1 . . . . 144 ALA H . 27037 1 83 . 1 1 143 143 ALA HA H 1 4.09 0.02 . 1 . . . . 144 ALA HA . 27037 1 84 . 1 1 143 143 ALA HB1 H 1 1.37 0.02 . 1 . . . . 144 ALA MB . 27037 1 85 . 1 1 143 143 ALA HB2 H 1 1.37 0.02 . 1 . . . . 144 ALA MB . 27037 1 86 . 1 1 143 143 ALA HB3 H 1 1.37 0.02 . 1 . . . . 144 ALA MB . 27037 1 87 . 1 1 143 143 ALA C C 13 177.9 0.2 . 1 . . . . 144 ALA C . 27037 1 88 . 1 1 143 143 ALA CA C 13 52.5 0.2 . 1 . . . . 144 ALA CA . 27037 1 89 . 1 1 143 143 ALA CB C 13 19.9 0.2 . 1 . . . . 144 ALA CB . 27037 1 90 . 1 1 143 143 ALA N N 15 123.9 0.2 . 1 . . . . 144 ALA N . 27037 1 91 . 1 1 156 156 ALA H H 1 8.59 0.02 . 1 . . . . 157 ALA H . 27037 1 92 . 1 1 156 156 ALA HA H 1 5.24 0.02 . 1 . . . . 157 ALA HA . 27037 1 93 . 1 1 156 156 ALA HB1 H 1 1.60 0.02 . 1 . . . . 157 ALA MB . 27037 1 94 . 1 1 156 156 ALA HB2 H 1 1.60 0.02 . 1 . . . . 157 ALA MB . 27037 1 95 . 1 1 156 156 ALA HB3 H 1 1.60 0.02 . 1 . . . . 157 ALA MB . 27037 1 96 . 1 1 156 156 ALA C C 13 177.1 0.2 . 1 . . . . 157 ALA C . 27037 1 97 . 1 1 156 156 ALA CA C 13 51.8 0.2 . 1 . . . . 157 ALA CA . 27037 1 98 . 1 1 156 156 ALA CB C 13 19.5 0.2 . 1 . . . . 157 ALA CB . 27037 1 99 . 1 1 156 156 ALA N N 15 129.0 0.2 . 1 . . . . 157 ALA N . 27037 1 100 . 1 1 164 164 ALA H H 1 9.40 0.02 . 1 . . . . 165 ALA H . 27037 1 101 . 1 1 164 164 ALA HA H 1 4.79 0.02 . 1 . . . . 165 ALA HA . 27037 1 102 . 1 1 164 164 ALA HB1 H 1 1.38 0.02 . 1 . . . . 165 ALA MB . 27037 1 103 . 1 1 164 164 ALA HB2 H 1 1.38 0.02 . 1 . . . . 165 ALA MB . 27037 1 104 . 1 1 164 164 ALA HB3 H 1 1.38 0.02 . 1 . . . . 165 ALA MB . 27037 1 105 . 1 1 164 164 ALA C C 13 174.6 0.2 . 1 . . . . 165 ALA C . 27037 1 106 . 1 1 164 164 ALA CA C 13 51.4 0.2 . 1 . . . . 165 ALA CA . 27037 1 107 . 1 1 164 164 ALA CB C 13 23.8 0.2 . 1 . . . . 165 ALA CB . 27037 1 108 . 1 1 164 164 ALA N N 15 126.3 0.2 . 1 . . . . 165 ALA N . 27037 1 109 . 1 1 204 204 ALA H H 1 8.49 0.02 . 1 . . . . 205 ALA H . 27037 1 110 . 1 1 204 204 ALA HA H 1 4.46 0.02 . 1 . . . . 205 ALA HA . 27037 1 111 . 1 1 204 204 ALA HB1 H 1 1.40 0.02 . 1 . . . . 205 ALA MB . 27037 1 112 . 1 1 204 204 ALA HB2 H 1 1.40 0.02 . 1 . . . . 205 ALA MB . 27037 1 113 . 1 1 204 204 ALA HB3 H 1 1.40 0.02 . 1 . . . . 205 ALA MB . 27037 1 114 . 1 1 204 204 ALA C C 13 176.3 0.2 . 1 . . . . 205 ALA C . 27037 1 115 . 1 1 204 204 ALA CA C 13 52.2 0.2 . 1 . . . . 205 ALA CA . 27037 1 116 . 1 1 204 204 ALA CB C 13 19.2 0.2 . 1 . . . . 205 ALA CB . 27037 1 117 . 1 1 204 204 ALA N N 15 127.8 0.2 . 1 . . . . 205 ALA N . 27037 1 stop_ save_