data_25500 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25500 _Entry.Title ; Backbone chemical shift assignments for the folded/unfolded drkN SH3 protein in the presence of DnaK chaperone at pH 7.2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-23 _Entry.Accession_date 2015-02-23 _Entry.Last_release_date 2015-03-23 _Entry.Original_release_date 2015-03-23 _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 'Jung Ho' Lee . . . . 25500 2 Dongyu Zhang . . . . 25500 3 Christopher Hughes . . . . 25500 4 Yusuke Okuno . . . . 25500 5 Ashok Sekhar . . . . 25500 6 Silvia Cavagnero . . . . 25500 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 25500 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 25500 '15N chemical shifts' 117 25500 '1H chemical shifts' 117 25500 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 . . 2016-07-22 2015-02-23 update BMRB 'update entry citation' 25500 1 . . 2015-03-23 2015-02-23 original author 'original release' 25500 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25501 'SH2-SH3 adapter protein drk' 25500 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25500 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26195753 _Citation.Full_citation . _Citation.Title ; Heterogeneous binding of the SH3 client protein to the DnaK molecular chaperone ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 31 _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 4206 _Citation.Page_last 4215 _Citation.Year 2015 _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 'Jung Ho' Lee . . . . 25500 1 2 Dongyu Zhang . . . . 25500 1 3 Christopher Hughes . . . . 25500 1 4 Yusuke Okuno . . . . 25500 1 5 Ashok Sekhar . . . . 25500 1 6 Silvia Cavagnero . . . . 25500 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25500 _Assembly.ID 1 _Assembly.Name 'SH2-SH3 adapter protein drk' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _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 'drkN SH3, native' 1 $drkN_SH3 A . yes native no no . . . 25500 1 2 'drkN SH3, unfolded' 1 $drkN_SH3 A . yes unfolded no no . . . 25500 1 3 DnaK_Chaperone 2 $DnaK_Chaperone B . no unfolded no no . . . 25500 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 5925 . . 'solution NMR' . . . 25500 1 yes PDB 2A36 . . 'solution NMR' . . . 25500 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_drkN_SH3 _Entity.Sf_category entity _Entity.Sf_framecode drkN_SH3 _Entity.Entry_ID 25500 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name drkN_SH3 _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 ; MEAIAKHDFSATADDELSFR KTQILKILNMEDDSNWYRAE LDGKEGLIPSNYIEMKNHD ; _Entity.Polymer_seq_one_letter_code ; MEAIAKHDFSATADDELSFR KTQILKILNMEDDSNWYRAE LDGKEGLIPSNYIEMKNHD ; _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 59 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25500 1 2 2 GLU . 25500 1 3 3 ALA . 25500 1 4 4 ILE . 25500 1 5 5 ALA . 25500 1 6 6 LYS . 25500 1 7 7 HIS . 25500 1 8 8 ASP . 25500 1 9 9 PHE . 25500 1 10 10 SER . 25500 1 11 11 ALA . 25500 1 12 12 THR . 25500 1 13 13 ALA . 25500 1 14 14 ASP . 25500 1 15 15 ASP . 25500 1 16 16 GLU . 25500 1 17 17 LEU . 25500 1 18 18 SER . 25500 1 19 19 PHE . 25500 1 20 20 ARG . 25500 1 21 21 LYS . 25500 1 22 22 THR . 25500 1 23 23 GLN . 25500 1 24 24 ILE . 25500 1 25 25 LEU . 25500 1 26 26 LYS . 25500 1 27 27 ILE . 25500 1 28 28 LEU . 25500 1 29 29 ASN . 25500 1 30 30 MET . 25500 1 31 31 GLU . 25500 1 32 32 ASP . 25500 1 33 33 ASP . 25500 1 34 34 SER . 25500 1 35 35 ASN . 25500 1 36 36 TRP . 25500 1 37 37 TYR . 25500 1 38 38 ARG . 25500 1 39 39 ALA . 25500 1 40 40 GLU . 25500 1 41 41 LEU . 25500 1 42 42 ASP . 25500 1 43 43 GLY . 25500 1 44 44 LYS . 25500 1 45 45 GLU . 25500 1 46 46 GLY . 25500 1 47 47 LEU . 25500 1 48 48 ILE . 25500 1 49 49 PRO . 25500 1 50 50 SER . 25500 1 51 51 ASN . 25500 1 52 52 TYR . 25500 1 53 53 ILE . 25500 1 54 54 GLU . 25500 1 55 55 MET . 25500 1 56 56 LYS . 25500 1 57 57 ASN . 25500 1 58 58 HIS . 25500 1 59 59 ASP . 25500 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 25500 1 . GLU 2 2 25500 1 . ALA 3 3 25500 1 . ILE 4 4 25500 1 . ALA 5 5 25500 1 . LYS 6 6 25500 1 . HIS 7 7 25500 1 . ASP 8 8 25500 1 . PHE 9 9 25500 1 . SER 10 10 25500 1 . ALA 11 11 25500 1 . THR 12 12 25500 1 . ALA 13 13 25500 1 . ASP 14 14 25500 1 . ASP 15 15 25500 1 . GLU 16 16 25500 1 . LEU 17 17 25500 1 . SER 18 18 25500 1 . PHE 19 19 25500 1 . ARG 20 20 25500 1 . LYS 21 21 25500 1 . THR 22 22 25500 1 . GLN 23 23 25500 1 . ILE 24 24 25500 1 . LEU 25 25 25500 1 . LYS 26 26 25500 1 . ILE 27 27 25500 1 . LEU 28 28 25500 1 . ASN 29 29 25500 1 . MET 30 30 25500 1 . GLU 31 31 25500 1 . ASP 32 32 25500 1 . ASP 33 33 25500 1 . SER 34 34 25500 1 . ASN 35 35 25500 1 . TRP 36 36 25500 1 . TYR 37 37 25500 1 . ARG 38 38 25500 1 . ALA 39 39 25500 1 . GLU 40 40 25500 1 . LEU 41 41 25500 1 . ASP 42 42 25500 1 . GLY 43 43 25500 1 . LYS 44 44 25500 1 . GLU 45 45 25500 1 . GLY 46 46 25500 1 . LEU 47 47 25500 1 . ILE 48 48 25500 1 . PRO 49 49 25500 1 . SER 50 50 25500 1 . ASN 51 51 25500 1 . TYR 52 52 25500 1 . ILE 53 53 25500 1 . GLU 54 54 25500 1 . MET 55 55 25500 1 . LYS 56 56 25500 1 . ASN 57 57 25500 1 . HIS 58 58 25500 1 . ASP 59 59 25500 1 stop_ save_ save_DnaK_Chaperone _Entity.Sf_category entity _Entity.Sf_framecode DnaK_Chaperone _Entity.Entry_ID 25500 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DnaK_Chaperone _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 ; MGKIIGIDLGTTNSCVAIMD GTTPRVLENAEGDRTTPSII AYTQDGETLVGQPAKRQAVT NPQNTLFAIKRLIGRRFQDE EVQRDVSIMPFKIIAADNGD AWVEVKGQKMAPPQISAEVL KKMKKTAEDYLGEPVTEAVI TVPAYFNDAQRQATKDAGRI AGLEVKRIINEPTAAALAYG LDKGTGNRTIAVYDLGGGTF DISIIEIDEVDGEKTFEVLA TNGDTHLGGEDFDSRLINYL VEEFKKDQGIDLRNDPLAMQ RLKEAAEKAKIELSSAQQTD VNLPYITADATGPKHMNIKV TRAKLESLVEDLVNRSIEPL KVALQDAGLSVSDIDDVILV GGQTRMPMVQKKVAEFFGKE PRKDVNPDEAVAIGAAVQGG VLTGDVKDVLLLDVTPLSLG IETMGGVMTTLIAKNTTIPT KHSQVFSTAEDNQSAVTIHV LQGERKRAADNKSLGQFNLD GINPAPRGMPQIEVTFDIDA DGILHVSAKDKNSGKEQKIT IKASSGLNEDEIQKMVRDAE ANAEADRKFEELVQTRNQGD HLLHSTRKQVEEAGDKLPAD DKTAIESALTALETALKGED KAAIEAKMQELAQVSQKLME IAQQQHAQQQTAGADASANN AKDDDVVDAEFEEVKDKK ; _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 638 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25500 2 2 2 GLY . 25500 2 3 3 LYS . 25500 2 4 4 ILE . 25500 2 5 5 ILE . 25500 2 6 6 GLY . 25500 2 7 7 ILE . 25500 2 8 8 ASP . 25500 2 9 9 LEU . 25500 2 10 10 GLY . 25500 2 11 11 THR . 25500 2 12 12 THR . 25500 2 13 13 ASN . 25500 2 14 14 SER . 25500 2 15 15 CYS . 25500 2 16 16 VAL . 25500 2 17 17 ALA . 25500 2 18 18 ILE . 25500 2 19 19 MET . 25500 2 20 20 ASP . 25500 2 21 21 GLY . 25500 2 22 22 THR . 25500 2 23 23 THR . 25500 2 24 24 PRO . 25500 2 25 25 ARG . 25500 2 26 26 VAL . 25500 2 27 27 LEU . 25500 2 28 28 GLU . 25500 2 29 29 ASN . 25500 2 30 30 ALA . 25500 2 31 31 GLU . 25500 2 32 32 GLY . 25500 2 33 33 ASP . 25500 2 34 34 ARG . 25500 2 35 35 THR . 25500 2 36 36 THR . 25500 2 37 37 PRO . 25500 2 38 38 SER . 25500 2 39 39 ILE . 25500 2 40 40 ILE . 25500 2 41 41 ALA . 25500 2 42 42 TYR . 25500 2 43 43 THR . 25500 2 44 44 GLN . 25500 2 45 45 ASP . 25500 2 46 46 GLY . 25500 2 47 47 GLU . 25500 2 48 48 THR . 25500 2 49 49 LEU . 25500 2 50 50 VAL . 25500 2 51 51 GLY . 25500 2 52 52 GLN . 25500 2 53 53 PRO . 25500 2 54 54 ALA . 25500 2 55 55 LYS . 25500 2 56 56 ARG . 25500 2 57 57 GLN . 25500 2 58 58 ALA . 25500 2 59 59 VAL . 25500 2 60 60 THR . 25500 2 61 61 ASN . 25500 2 62 62 PRO . 25500 2 63 63 GLN . 25500 2 64 64 ASN . 25500 2 65 65 THR . 25500 2 66 66 LEU . 25500 2 67 67 PHE . 25500 2 68 68 ALA . 25500 2 69 69 ILE . 25500 2 70 70 LYS . 25500 2 71 71 ARG . 25500 2 72 72 LEU . 25500 2 73 73 ILE . 25500 2 74 74 GLY . 25500 2 75 75 ARG . 25500 2 76 76 ARG . 25500 2 77 77 PHE . 25500 2 78 78 GLN . 25500 2 79 79 ASP . 25500 2 80 80 GLU . 25500 2 81 81 GLU . 25500 2 82 82 VAL . 25500 2 83 83 GLN . 25500 2 84 84 ARG . 25500 2 85 85 ASP . 25500 2 86 86 VAL . 25500 2 87 87 SER . 25500 2 88 88 ILE . 25500 2 89 89 MET . 25500 2 90 90 PRO . 25500 2 91 91 PHE . 25500 2 92 92 LYS . 25500 2 93 93 ILE . 25500 2 94 94 ILE . 25500 2 95 95 ALA . 25500 2 96 96 ALA . 25500 2 97 97 ASP . 25500 2 98 98 ASN . 25500 2 99 99 GLY . 25500 2 100 100 ASP . 25500 2 101 101 ALA . 25500 2 102 102 TRP . 25500 2 103 103 VAL . 25500 2 104 104 GLU . 25500 2 105 105 VAL . 25500 2 106 106 LYS . 25500 2 107 107 GLY . 25500 2 108 108 GLN . 25500 2 109 109 LYS . 25500 2 110 110 MET . 25500 2 111 111 ALA . 25500 2 112 112 PRO . 25500 2 113 113 PRO . 25500 2 114 114 GLN . 25500 2 115 115 ILE . 25500 2 116 116 SER . 25500 2 117 117 ALA . 25500 2 118 118 GLU . 25500 2 119 119 VAL . 25500 2 120 120 LEU . 25500 2 121 121 LYS . 25500 2 122 122 LYS . 25500 2 123 123 MET . 25500 2 124 124 LYS . 25500 2 125 125 LYS . 25500 2 126 126 THR . 25500 2 127 127 ALA . 25500 2 128 128 GLU . 25500 2 129 129 ASP . 25500 2 130 130 TYR . 25500 2 131 131 LEU . 25500 2 132 132 GLY . 25500 2 133 133 GLU . 25500 2 134 134 PRO . 25500 2 135 135 VAL . 25500 2 136 136 THR . 25500 2 137 137 GLU . 25500 2 138 138 ALA . 25500 2 139 139 VAL . 25500 2 140 140 ILE . 25500 2 141 141 THR . 25500 2 142 142 VAL . 25500 2 143 143 PRO . 25500 2 144 144 ALA . 25500 2 145 145 TYR . 25500 2 146 146 PHE . 25500 2 147 147 ASN . 25500 2 148 148 ASP . 25500 2 149 149 ALA . 25500 2 150 150 GLN . 25500 2 151 151 ARG . 25500 2 152 152 GLN . 25500 2 153 153 ALA . 25500 2 154 154 THR . 25500 2 155 155 LYS . 25500 2 156 156 ASP . 25500 2 157 157 ALA . 25500 2 158 158 GLY . 25500 2 159 159 ARG . 25500 2 160 160 ILE . 25500 2 161 161 ALA . 25500 2 162 162 GLY . 25500 2 163 163 LEU . 25500 2 164 164 GLU . 25500 2 165 165 VAL . 25500 2 166 166 LYS . 25500 2 167 167 ARG . 25500 2 168 168 ILE . 25500 2 169 169 ILE . 25500 2 170 170 ASN . 25500 2 171 171 GLU . 25500 2 172 172 PRO . 25500 2 173 173 THR . 25500 2 174 174 ALA . 25500 2 175 175 ALA . 25500 2 176 176 ALA . 25500 2 177 177 LEU . 25500 2 178 178 ALA . 25500 2 179 179 TYR . 25500 2 180 180 GLY . 25500 2 181 181 LEU . 25500 2 182 182 ASP . 25500 2 183 183 LYS . 25500 2 184 184 GLY . 25500 2 185 185 THR . 25500 2 186 186 GLY . 25500 2 187 187 ASN . 25500 2 188 188 ARG . 25500 2 189 189 THR . 25500 2 190 190 ILE . 25500 2 191 191 ALA . 25500 2 192 192 VAL . 25500 2 193 193 TYR . 25500 2 194 194 ASP . 25500 2 195 195 LEU . 25500 2 196 196 GLY . 25500 2 197 197 GLY . 25500 2 198 198 GLY . 25500 2 199 199 THR . 25500 2 200 200 PHE . 25500 2 201 201 ASP . 25500 2 202 202 ILE . 25500 2 203 203 SER . 25500 2 204 204 ILE . 25500 2 205 205 ILE . 25500 2 206 206 GLU . 25500 2 207 207 ILE . 25500 2 208 208 ASP . 25500 2 209 209 GLU . 25500 2 210 210 VAL . 25500 2 211 211 ASP . 25500 2 212 212 GLY . 25500 2 213 213 GLU . 25500 2 214 214 LYS . 25500 2 215 215 THR . 25500 2 216 216 PHE . 25500 2 217 217 GLU . 25500 2 218 218 VAL . 25500 2 219 219 LEU . 25500 2 220 220 ALA . 25500 2 221 221 THR . 25500 2 222 222 ASN . 25500 2 223 223 GLY . 25500 2 224 224 ASP . 25500 2 225 225 THR . 25500 2 226 226 HIS . 25500 2 227 227 LEU . 25500 2 228 228 GLY . 25500 2 229 229 GLY . 25500 2 230 230 GLU . 25500 2 231 231 ASP . 25500 2 232 232 PHE . 25500 2 233 233 ASP . 25500 2 234 234 SER . 25500 2 235 235 ARG . 25500 2 236 236 LEU . 25500 2 237 237 ILE . 25500 2 238 238 ASN . 25500 2 239 239 TYR . 25500 2 240 240 LEU . 25500 2 241 241 VAL . 25500 2 242 242 GLU . 25500 2 243 243 GLU . 25500 2 244 244 PHE . 25500 2 245 245 LYS . 25500 2 246 246 LYS . 25500 2 247 247 ASP . 25500 2 248 248 GLN . 25500 2 249 249 GLY . 25500 2 250 250 ILE . 25500 2 251 251 ASP . 25500 2 252 252 LEU . 25500 2 253 253 ARG . 25500 2 254 254 ASN . 25500 2 255 255 ASP . 25500 2 256 256 PRO . 25500 2 257 257 LEU . 25500 2 258 258 ALA . 25500 2 259 259 MET . 25500 2 260 260 GLN . 25500 2 261 261 ARG . 25500 2 262 262 LEU . 25500 2 263 263 LYS . 25500 2 264 264 GLU . 25500 2 265 265 ALA . 25500 2 266 266 ALA . 25500 2 267 267 GLU . 25500 2 268 268 LYS . 25500 2 269 269 ALA . 25500 2 270 270 LYS . 25500 2 271 271 ILE . 25500 2 272 272 GLU . 25500 2 273 273 LEU . 25500 2 274 274 SER . 25500 2 275 275 SER . 25500 2 276 276 ALA . 25500 2 277 277 GLN . 25500 2 278 278 GLN . 25500 2 279 279 THR . 25500 2 280 280 ASP . 25500 2 281 281 VAL . 25500 2 282 282 ASN . 25500 2 283 283 LEU . 25500 2 284 284 PRO . 25500 2 285 285 TYR . 25500 2 286 286 ILE . 25500 2 287 287 THR . 25500 2 288 288 ALA . 25500 2 289 289 ASP . 25500 2 290 290 ALA . 25500 2 291 291 THR . 25500 2 292 292 GLY . 25500 2 293 293 PRO . 25500 2 294 294 LYS . 25500 2 295 295 HIS . 25500 2 296 296 MET . 25500 2 297 297 ASN . 25500 2 298 298 ILE . 25500 2 299 299 LYS . 25500 2 300 300 VAL . 25500 2 301 301 THR . 25500 2 302 302 ARG . 25500 2 303 303 ALA . 25500 2 304 304 LYS . 25500 2 305 305 LEU . 25500 2 306 306 GLU . 25500 2 307 307 SER . 25500 2 308 308 LEU . 25500 2 309 309 VAL . 25500 2 310 310 GLU . 25500 2 311 311 ASP . 25500 2 312 312 LEU . 25500 2 313 313 VAL . 25500 2 314 314 ASN . 25500 2 315 315 ARG . 25500 2 316 316 SER . 25500 2 317 317 ILE . 25500 2 318 318 GLU . 25500 2 319 319 PRO . 25500 2 320 320 LEU . 25500 2 321 321 LYS . 25500 2 322 322 VAL . 25500 2 323 323 ALA . 25500 2 324 324 LEU . 25500 2 325 325 GLN . 25500 2 326 326 ASP . 25500 2 327 327 ALA . 25500 2 328 328 GLY . 25500 2 329 329 LEU . 25500 2 330 330 SER . 25500 2 331 331 VAL . 25500 2 332 332 SER . 25500 2 333 333 ASP . 25500 2 334 334 ILE . 25500 2 335 335 ASP . 25500 2 336 336 ASP . 25500 2 337 337 VAL . 25500 2 338 338 ILE . 25500 2 339 339 LEU . 25500 2 340 340 VAL . 25500 2 341 341 GLY . 25500 2 342 342 GLY . 25500 2 343 343 GLN . 25500 2 344 344 THR . 25500 2 345 345 ARG . 25500 2 346 346 MET . 25500 2 347 347 PRO . 25500 2 348 348 MET . 25500 2 349 349 VAL . 25500 2 350 350 GLN . 25500 2 351 351 LYS . 25500 2 352 352 LYS . 25500 2 353 353 VAL . 25500 2 354 354 ALA . 25500 2 355 355 GLU . 25500 2 356 356 PHE . 25500 2 357 357 PHE . 25500 2 358 358 GLY . 25500 2 359 359 LYS . 25500 2 360 360 GLU . 25500 2 361 361 PRO . 25500 2 362 362 ARG . 25500 2 363 363 LYS . 25500 2 364 364 ASP . 25500 2 365 365 VAL . 25500 2 366 366 ASN . 25500 2 367 367 PRO . 25500 2 368 368 ASP . 25500 2 369 369 GLU . 25500 2 370 370 ALA . 25500 2 371 371 VAL . 25500 2 372 372 ALA . 25500 2 373 373 ILE . 25500 2 374 374 GLY . 25500 2 375 375 ALA . 25500 2 376 376 ALA . 25500 2 377 377 VAL . 25500 2 378 378 GLN . 25500 2 379 379 GLY . 25500 2 380 380 GLY . 25500 2 381 381 VAL . 25500 2 382 382 LEU . 25500 2 383 383 THR . 25500 2 384 384 GLY . 25500 2 385 385 ASP . 25500 2 386 386 VAL . 25500 2 387 387 LYS . 25500 2 388 388 ASP . 25500 2 389 389 VAL . 25500 2 390 390 LEU . 25500 2 391 391 LEU . 25500 2 392 392 LEU . 25500 2 393 393 ASP . 25500 2 394 394 VAL . 25500 2 395 395 THR . 25500 2 396 396 PRO . 25500 2 397 397 LEU . 25500 2 398 398 SER . 25500 2 399 399 LEU . 25500 2 400 400 GLY . 25500 2 401 401 ILE . 25500 2 402 402 GLU . 25500 2 403 403 THR . 25500 2 404 404 MET . 25500 2 405 405 GLY . 25500 2 406 406 GLY . 25500 2 407 407 VAL . 25500 2 408 408 MET . 25500 2 409 409 THR . 25500 2 410 410 THR . 25500 2 411 411 LEU . 25500 2 412 412 ILE . 25500 2 413 413 ALA . 25500 2 414 414 LYS . 25500 2 415 415 ASN . 25500 2 416 416 THR . 25500 2 417 417 THR . 25500 2 418 418 ILE . 25500 2 419 419 PRO . 25500 2 420 420 THR . 25500 2 421 421 LYS . 25500 2 422 422 HIS . 25500 2 423 423 SER . 25500 2 424 424 GLN . 25500 2 425 425 VAL . 25500 2 426 426 PHE . 25500 2 427 427 SER . 25500 2 428 428 THR . 25500 2 429 429 ALA . 25500 2 430 430 GLU . 25500 2 431 431 ASP . 25500 2 432 432 ASN . 25500 2 433 433 GLN . 25500 2 434 434 SER . 25500 2 435 435 ALA . 25500 2 436 436 VAL . 25500 2 437 437 THR . 25500 2 438 438 ILE . 25500 2 439 439 HIS . 25500 2 440 440 VAL . 25500 2 441 441 LEU . 25500 2 442 442 GLN . 25500 2 443 443 GLY . 25500 2 444 444 GLU . 25500 2 445 445 ARG . 25500 2 446 446 LYS . 25500 2 447 447 ARG . 25500 2 448 448 ALA . 25500 2 449 449 ALA . 25500 2 450 450 ASP . 25500 2 451 451 ASN . 25500 2 452 452 LYS . 25500 2 453 453 SER . 25500 2 454 454 LEU . 25500 2 455 455 GLY . 25500 2 456 456 GLN . 25500 2 457 457 PHE . 25500 2 458 458 ASN . 25500 2 459 459 LEU . 25500 2 460 460 ASP . 25500 2 461 461 GLY . 25500 2 462 462 ILE . 25500 2 463 463 ASN . 25500 2 464 464 PRO . 25500 2 465 465 ALA . 25500 2 466 466 PRO . 25500 2 467 467 ARG . 25500 2 468 468 GLY . 25500 2 469 469 MET . 25500 2 470 470 PRO . 25500 2 471 471 GLN . 25500 2 472 472 ILE . 25500 2 473 473 GLU . 25500 2 474 474 VAL . 25500 2 475 475 THR . 25500 2 476 476 PHE . 25500 2 477 477 ASP . 25500 2 478 478 ILE . 25500 2 479 479 ASP . 25500 2 480 480 ALA . 25500 2 481 481 ASP . 25500 2 482 482 GLY . 25500 2 483 483 ILE . 25500 2 484 484 LEU . 25500 2 485 485 HIS . 25500 2 486 486 VAL . 25500 2 487 487 SER . 25500 2 488 488 ALA . 25500 2 489 489 LYS . 25500 2 490 490 ASP . 25500 2 491 491 LYS . 25500 2 492 492 ASN . 25500 2 493 493 SER . 25500 2 494 494 GLY . 25500 2 495 495 LYS . 25500 2 496 496 GLU . 25500 2 497 497 GLN . 25500 2 498 498 LYS . 25500 2 499 499 ILE . 25500 2 500 500 THR . 25500 2 501 501 ILE . 25500 2 502 502 LYS . 25500 2 503 503 ALA . 25500 2 504 504 SER . 25500 2 505 505 SER . 25500 2 506 506 GLY . 25500 2 507 507 LEU . 25500 2 508 508 ASN . 25500 2 509 509 GLU . 25500 2 510 510 ASP . 25500 2 511 511 GLU . 25500 2 512 512 ILE . 25500 2 513 513 GLN . 25500 2 514 514 LYS . 25500 2 515 515 MET . 25500 2 516 516 VAL . 25500 2 517 517 ARG . 25500 2 518 518 ASP . 25500 2 519 519 ALA . 25500 2 520 520 GLU . 25500 2 521 521 ALA . 25500 2 522 522 ASN . 25500 2 523 523 ALA . 25500 2 524 524 GLU . 25500 2 525 525 ALA . 25500 2 526 526 ASP . 25500 2 527 527 ARG . 25500 2 528 528 LYS . 25500 2 529 529 PHE . 25500 2 530 530 GLU . 25500 2 531 531 GLU . 25500 2 532 532 LEU . 25500 2 533 533 VAL . 25500 2 534 534 GLN . 25500 2 535 535 THR . 25500 2 536 536 ARG . 25500 2 537 537 ASN . 25500 2 538 538 GLN . 25500 2 539 539 GLY . 25500 2 540 540 ASP . 25500 2 541 541 HIS . 25500 2 542 542 LEU . 25500 2 543 543 LEU . 25500 2 544 544 HIS . 25500 2 545 545 SER . 25500 2 546 546 THR . 25500 2 547 547 ARG . 25500 2 548 548 LYS . 25500 2 549 549 GLN . 25500 2 550 550 VAL . 25500 2 551 551 GLU . 25500 2 552 552 GLU . 25500 2 553 553 ALA . 25500 2 554 554 GLY . 25500 2 555 555 ASP . 25500 2 556 556 LYS . 25500 2 557 557 LEU . 25500 2 558 558 PRO . 25500 2 559 559 ALA . 25500 2 560 560 ASP . 25500 2 561 561 ASP . 25500 2 562 562 LYS . 25500 2 563 563 THR . 25500 2 564 564 ALA . 25500 2 565 565 ILE . 25500 2 566 566 GLU . 25500 2 567 567 SER . 25500 2 568 568 ALA . 25500 2 569 569 LEU . 25500 2 570 570 THR . 25500 2 571 571 ALA . 25500 2 572 572 LEU . 25500 2 573 573 GLU . 25500 2 574 574 THR . 25500 2 575 575 ALA . 25500 2 576 576 LEU . 25500 2 577 577 LYS . 25500 2 578 578 GLY . 25500 2 579 579 GLU . 25500 2 580 580 ASP . 25500 2 581 581 LYS . 25500 2 582 582 ALA . 25500 2 583 583 ALA . 25500 2 584 584 ILE . 25500 2 585 585 GLU . 25500 2 586 586 ALA . 25500 2 587 587 LYS . 25500 2 588 588 MET . 25500 2 589 589 GLN . 25500 2 590 590 GLU . 25500 2 591 591 LEU . 25500 2 592 592 ALA . 25500 2 593 593 GLN . 25500 2 594 594 VAL . 25500 2 595 595 SER . 25500 2 596 596 GLN . 25500 2 597 597 LYS . 25500 2 598 598 LEU . 25500 2 599 599 MET . 25500 2 600 600 GLU . 25500 2 601 601 ILE . 25500 2 602 602 ALA . 25500 2 603 603 GLN . 25500 2 604 604 GLN . 25500 2 605 605 GLN . 25500 2 606 606 HIS . 25500 2 607 607 ALA . 25500 2 608 608 GLN . 25500 2 609 609 GLN . 25500 2 610 610 GLN . 25500 2 611 611 THR . 25500 2 612 612 ALA . 25500 2 613 613 GLY . 25500 2 614 614 ALA . 25500 2 615 615 ASP . 25500 2 616 616 ALA . 25500 2 617 617 SER . 25500 2 618 618 ALA . 25500 2 619 619 ASN . 25500 2 620 620 ASN . 25500 2 621 621 ALA . 25500 2 622 622 LYS . 25500 2 623 623 ASP . 25500 2 624 624 ASP . 25500 2 625 625 ASP . 25500 2 626 626 VAL . 25500 2 627 627 VAL . 25500 2 628 628 ASP . 25500 2 629 629 ALA . 25500 2 630 630 GLU . 25500 2 631 631 PHE . 25500 2 632 632 GLU . 25500 2 633 633 GLU . 25500 2 634 634 VAL . 25500 2 635 635 LYS . 25500 2 636 636 ASP . 25500 2 637 637 LYS . 25500 2 638 638 LYS . 25500 2 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 25500 2 . GLY 2 2 25500 2 . LYS 3 3 25500 2 . ILE 4 4 25500 2 . ILE 5 5 25500 2 . GLY 6 6 25500 2 . ILE 7 7 25500 2 . ASP 8 8 25500 2 . LEU 9 9 25500 2 . GLY 10 10 25500 2 . THR 11 11 25500 2 . THR 12 12 25500 2 . ASN 13 13 25500 2 . SER 14 14 25500 2 . CYS 15 15 25500 2 . VAL 16 16 25500 2 . ALA 17 17 25500 2 . ILE 18 18 25500 2 . MET 19 19 25500 2 . ASP 20 20 25500 2 . GLY 21 21 25500 2 . THR 22 22 25500 2 . THR 23 23 25500 2 . PRO 24 24 25500 2 . ARG 25 25 25500 2 . VAL 26 26 25500 2 . LEU 27 27 25500 2 . GLU 28 28 25500 2 . ASN 29 29 25500 2 . ALA 30 30 25500 2 . GLU 31 31 25500 2 . GLY 32 32 25500 2 . ASP 33 33 25500 2 . ARG 34 34 25500 2 . THR 35 35 25500 2 . THR 36 36 25500 2 . PRO 37 37 25500 2 . SER 38 38 25500 2 . ILE 39 39 25500 2 . ILE 40 40 25500 2 . ALA 41 41 25500 2 . TYR 42 42 25500 2 . THR 43 43 25500 2 . GLN 44 44 25500 2 . ASP 45 45 25500 2 . GLY 46 46 25500 2 . GLU 47 47 25500 2 . THR 48 48 25500 2 . LEU 49 49 25500 2 . VAL 50 50 25500 2 . GLY 51 51 25500 2 . GLN 52 52 25500 2 . PRO 53 53 25500 2 . ALA 54 54 25500 2 . LYS 55 55 25500 2 . ARG 56 56 25500 2 . GLN 57 57 25500 2 . ALA 58 58 25500 2 . VAL 59 59 25500 2 . THR 60 60 25500 2 . ASN 61 61 25500 2 . PRO 62 62 25500 2 . GLN 63 63 25500 2 . ASN 64 64 25500 2 . THR 65 65 25500 2 . LEU 66 66 25500 2 . PHE 67 67 25500 2 . ALA 68 68 25500 2 . ILE 69 69 25500 2 . LYS 70 70 25500 2 . ARG 71 71 25500 2 . LEU 72 72 25500 2 . ILE 73 73 25500 2 . GLY 74 74 25500 2 . ARG 75 75 25500 2 . ARG 76 76 25500 2 . PHE 77 77 25500 2 . GLN 78 78 25500 2 . ASP 79 79 25500 2 . GLU 80 80 25500 2 . GLU 81 81 25500 2 . VAL 82 82 25500 2 . GLN 83 83 25500 2 . ARG 84 84 25500 2 . ASP 85 85 25500 2 . VAL 86 86 25500 2 . SER 87 87 25500 2 . ILE 88 88 25500 2 . MET 89 89 25500 2 . PRO 90 90 25500 2 . PHE 91 91 25500 2 . LYS 92 92 25500 2 . ILE 93 93 25500 2 . ILE 94 94 25500 2 . ALA 95 95 25500 2 . ALA 96 96 25500 2 . ASP 97 97 25500 2 . ASN 98 98 25500 2 . GLY 99 99 25500 2 . ASP 100 100 25500 2 . ALA 101 101 25500 2 . TRP 102 102 25500 2 . VAL 103 103 25500 2 . GLU 104 104 25500 2 . VAL 105 105 25500 2 . LYS 106 106 25500 2 . GLY 107 107 25500 2 . GLN 108 108 25500 2 . LYS 109 109 25500 2 . MET 110 110 25500 2 . ALA 111 111 25500 2 . PRO 112 112 25500 2 . PRO 113 113 25500 2 . GLN 114 114 25500 2 . ILE 115 115 25500 2 . SER 116 116 25500 2 . ALA 117 117 25500 2 . GLU 118 118 25500 2 . VAL 119 119 25500 2 . LEU 120 120 25500 2 . LYS 121 121 25500 2 . LYS 122 122 25500 2 . MET 123 123 25500 2 . LYS 124 124 25500 2 . LYS 125 125 25500 2 . THR 126 126 25500 2 . ALA 127 127 25500 2 . GLU 128 128 25500 2 . ASP 129 129 25500 2 . TYR 130 130 25500 2 . LEU 131 131 25500 2 . GLY 132 132 25500 2 . GLU 133 133 25500 2 . PRO 134 134 25500 2 . VAL 135 135 25500 2 . THR 136 136 25500 2 . GLU 137 137 25500 2 . ALA 138 138 25500 2 . VAL 139 139 25500 2 . ILE 140 140 25500 2 . THR 141 141 25500 2 . VAL 142 142 25500 2 . PRO 143 143 25500 2 . ALA 144 144 25500 2 . TYR 145 145 25500 2 . PHE 146 146 25500 2 . ASN 147 147 25500 2 . ASP 148 148 25500 2 . ALA 149 149 25500 2 . GLN 150 150 25500 2 . ARG 151 151 25500 2 . GLN 152 152 25500 2 . ALA 153 153 25500 2 . THR 154 154 25500 2 . LYS 155 155 25500 2 . ASP 156 156 25500 2 . ALA 157 157 25500 2 . GLY 158 158 25500 2 . ARG 159 159 25500 2 . ILE 160 160 25500 2 . ALA 161 161 25500 2 . GLY 162 162 25500 2 . LEU 163 163 25500 2 . GLU 164 164 25500 2 . VAL 165 165 25500 2 . LYS 166 166 25500 2 . ARG 167 167 25500 2 . ILE 168 168 25500 2 . ILE 169 169 25500 2 . ASN 170 170 25500 2 . GLU 171 171 25500 2 . PRO 172 172 25500 2 . THR 173 173 25500 2 . ALA 174 174 25500 2 . ALA 175 175 25500 2 . ALA 176 176 25500 2 . LEU 177 177 25500 2 . ALA 178 178 25500 2 . TYR 179 179 25500 2 . GLY 180 180 25500 2 . LEU 181 181 25500 2 . ASP 182 182 25500 2 . LYS 183 183 25500 2 . GLY 184 184 25500 2 . THR 185 185 25500 2 . GLY 186 186 25500 2 . ASN 187 187 25500 2 . ARG 188 188 25500 2 . THR 189 189 25500 2 . ILE 190 190 25500 2 . ALA 191 191 25500 2 . VAL 192 192 25500 2 . TYR 193 193 25500 2 . ASP 194 194 25500 2 . LEU 195 195 25500 2 . GLY 196 196 25500 2 . GLY 197 197 25500 2 . GLY 198 198 25500 2 . THR 199 199 25500 2 . PHE 200 200 25500 2 . ASP 201 201 25500 2 . ILE 202 202 25500 2 . SER 203 203 25500 2 . ILE 204 204 25500 2 . ILE 205 205 25500 2 . GLU 206 206 25500 2 . ILE 207 207 25500 2 . ASP 208 208 25500 2 . GLU 209 209 25500 2 . VAL 210 210 25500 2 . ASP 211 211 25500 2 . GLY 212 212 25500 2 . GLU 213 213 25500 2 . LYS 214 214 25500 2 . THR 215 215 25500 2 . PHE 216 216 25500 2 . GLU 217 217 25500 2 . VAL 218 218 25500 2 . LEU 219 219 25500 2 . ALA 220 220 25500 2 . THR 221 221 25500 2 . ASN 222 222 25500 2 . GLY 223 223 25500 2 . ASP 224 224 25500 2 . THR 225 225 25500 2 . HIS 226 226 25500 2 . LEU 227 227 25500 2 . GLY 228 228 25500 2 . GLY 229 229 25500 2 . GLU 230 230 25500 2 . ASP 231 231 25500 2 . PHE 232 232 25500 2 . ASP 233 233 25500 2 . SER 234 234 25500 2 . ARG 235 235 25500 2 . LEU 236 236 25500 2 . ILE 237 237 25500 2 . ASN 238 238 25500 2 . TYR 239 239 25500 2 . LEU 240 240 25500 2 . VAL 241 241 25500 2 . GLU 242 242 25500 2 . GLU 243 243 25500 2 . PHE 244 244 25500 2 . LYS 245 245 25500 2 . LYS 246 246 25500 2 . ASP 247 247 25500 2 . GLN 248 248 25500 2 . GLY 249 249 25500 2 . ILE 250 250 25500 2 . ASP 251 251 25500 2 . LEU 252 252 25500 2 . ARG 253 253 25500 2 . ASN 254 254 25500 2 . ASP 255 255 25500 2 . PRO 256 256 25500 2 . LEU 257 257 25500 2 . ALA 258 258 25500 2 . MET 259 259 25500 2 . GLN 260 260 25500 2 . ARG 261 261 25500 2 . LEU 262 262 25500 2 . LYS 263 263 25500 2 . GLU 264 264 25500 2 . ALA 265 265 25500 2 . ALA 266 266 25500 2 . GLU 267 267 25500 2 . LYS 268 268 25500 2 . ALA 269 269 25500 2 . LYS 270 270 25500 2 . ILE 271 271 25500 2 . GLU 272 272 25500 2 . LEU 273 273 25500 2 . SER 274 274 25500 2 . SER 275 275 25500 2 . ALA 276 276 25500 2 . GLN 277 277 25500 2 . GLN 278 278 25500 2 . THR 279 279 25500 2 . ASP 280 280 25500 2 . VAL 281 281 25500 2 . ASN 282 282 25500 2 . LEU 283 283 25500 2 . PRO 284 284 25500 2 . TYR 285 285 25500 2 . ILE 286 286 25500 2 . THR 287 287 25500 2 . ALA 288 288 25500 2 . ASP 289 289 25500 2 . ALA 290 290 25500 2 . THR 291 291 25500 2 . GLY 292 292 25500 2 . PRO 293 293 25500 2 . LYS 294 294 25500 2 . HIS 295 295 25500 2 . MET 296 296 25500 2 . ASN 297 297 25500 2 . ILE 298 298 25500 2 . LYS 299 299 25500 2 . VAL 300 300 25500 2 . THR 301 301 25500 2 . ARG 302 302 25500 2 . ALA 303 303 25500 2 . LYS 304 304 25500 2 . LEU 305 305 25500 2 . GLU 306 306 25500 2 . SER 307 307 25500 2 . LEU 308 308 25500 2 . VAL 309 309 25500 2 . GLU 310 310 25500 2 . ASP 311 311 25500 2 . LEU 312 312 25500 2 . VAL 313 313 25500 2 . ASN 314 314 25500 2 . ARG 315 315 25500 2 . SER 316 316 25500 2 . ILE 317 317 25500 2 . GLU 318 318 25500 2 . PRO 319 319 25500 2 . LEU 320 320 25500 2 . LYS 321 321 25500 2 . VAL 322 322 25500 2 . ALA 323 323 25500 2 . LEU 324 324 25500 2 . GLN 325 325 25500 2 . ASP 326 326 25500 2 . ALA 327 327 25500 2 . GLY 328 328 25500 2 . LEU 329 329 25500 2 . SER 330 330 25500 2 . VAL 331 331 25500 2 . SER 332 332 25500 2 . ASP 333 333 25500 2 . ILE 334 334 25500 2 . ASP 335 335 25500 2 . ASP 336 336 25500 2 . VAL 337 337 25500 2 . ILE 338 338 25500 2 . LEU 339 339 25500 2 . VAL 340 340 25500 2 . GLY 341 341 25500 2 . GLY 342 342 25500 2 . GLN 343 343 25500 2 . THR 344 344 25500 2 . ARG 345 345 25500 2 . MET 346 346 25500 2 . PRO 347 347 25500 2 . MET 348 348 25500 2 . VAL 349 349 25500 2 . GLN 350 350 25500 2 . LYS 351 351 25500 2 . LYS 352 352 25500 2 . VAL 353 353 25500 2 . ALA 354 354 25500 2 . GLU 355 355 25500 2 . PHE 356 356 25500 2 . PHE 357 357 25500 2 . GLY 358 358 25500 2 . LYS 359 359 25500 2 . GLU 360 360 25500 2 . PRO 361 361 25500 2 . ARG 362 362 25500 2 . LYS 363 363 25500 2 . ASP 364 364 25500 2 . VAL 365 365 25500 2 . ASN 366 366 25500 2 . PRO 367 367 25500 2 . ASP 368 368 25500 2 . GLU 369 369 25500 2 . ALA 370 370 25500 2 . VAL 371 371 25500 2 . ALA 372 372 25500 2 . ILE 373 373 25500 2 . GLY 374 374 25500 2 . ALA 375 375 25500 2 . ALA 376 376 25500 2 . VAL 377 377 25500 2 . GLN 378 378 25500 2 . GLY 379 379 25500 2 . GLY 380 380 25500 2 . VAL 381 381 25500 2 . LEU 382 382 25500 2 . THR 383 383 25500 2 . GLY 384 384 25500 2 . ASP 385 385 25500 2 . VAL 386 386 25500 2 . LYS 387 387 25500 2 . ASP 388 388 25500 2 . VAL 389 389 25500 2 . LEU 390 390 25500 2 . LEU 391 391 25500 2 . LEU 392 392 25500 2 . ASP 393 393 25500 2 . VAL 394 394 25500 2 . THR 395 395 25500 2 . PRO 396 396 25500 2 . LEU 397 397 25500 2 . SER 398 398 25500 2 . LEU 399 399 25500 2 . GLY 400 400 25500 2 . ILE 401 401 25500 2 . GLU 402 402 25500 2 . THR 403 403 25500 2 . MET 404 404 25500 2 . GLY 405 405 25500 2 . GLY 406 406 25500 2 . VAL 407 407 25500 2 . MET 408 408 25500 2 . THR 409 409 25500 2 . THR 410 410 25500 2 . LEU 411 411 25500 2 . ILE 412 412 25500 2 . ALA 413 413 25500 2 . LYS 414 414 25500 2 . ASN 415 415 25500 2 . THR 416 416 25500 2 . THR 417 417 25500 2 . ILE 418 418 25500 2 . PRO 419 419 25500 2 . THR 420 420 25500 2 . LYS 421 421 25500 2 . HIS 422 422 25500 2 . SER 423 423 25500 2 . GLN 424 424 25500 2 . VAL 425 425 25500 2 . PHE 426 426 25500 2 . SER 427 427 25500 2 . THR 428 428 25500 2 . ALA 429 429 25500 2 . GLU 430 430 25500 2 . ASP 431 431 25500 2 . ASN 432 432 25500 2 . GLN 433 433 25500 2 . SER 434 434 25500 2 . ALA 435 435 25500 2 . VAL 436 436 25500 2 . THR 437 437 25500 2 . ILE 438 438 25500 2 . HIS 439 439 25500 2 . VAL 440 440 25500 2 . LEU 441 441 25500 2 . GLN 442 442 25500 2 . GLY 443 443 25500 2 . GLU 444 444 25500 2 . ARG 445 445 25500 2 . LYS 446 446 25500 2 . ARG 447 447 25500 2 . ALA 448 448 25500 2 . ALA 449 449 25500 2 . ASP 450 450 25500 2 . ASN 451 451 25500 2 . LYS 452 452 25500 2 . SER 453 453 25500 2 . LEU 454 454 25500 2 . GLY 455 455 25500 2 . GLN 456 456 25500 2 . PHE 457 457 25500 2 . ASN 458 458 25500 2 . LEU 459 459 25500 2 . ASP 460 460 25500 2 . GLY 461 461 25500 2 . ILE 462 462 25500 2 . ASN 463 463 25500 2 . PRO 464 464 25500 2 . ALA 465 465 25500 2 . PRO 466 466 25500 2 . ARG 467 467 25500 2 . GLY 468 468 25500 2 . MET 469 469 25500 2 . PRO 470 470 25500 2 . GLN 471 471 25500 2 . ILE 472 472 25500 2 . GLU 473 473 25500 2 . VAL 474 474 25500 2 . THR 475 475 25500 2 . PHE 476 476 25500 2 . ASP 477 477 25500 2 . ILE 478 478 25500 2 . ASP 479 479 25500 2 . ALA 480 480 25500 2 . ASP 481 481 25500 2 . GLY 482 482 25500 2 . ILE 483 483 25500 2 . LEU 484 484 25500 2 . HIS 485 485 25500 2 . VAL 486 486 25500 2 . SER 487 487 25500 2 . ALA 488 488 25500 2 . LYS 489 489 25500 2 . ASP 490 490 25500 2 . LYS 491 491 25500 2 . ASN 492 492 25500 2 . SER 493 493 25500 2 . GLY 494 494 25500 2 . LYS 495 495 25500 2 . GLU 496 496 25500 2 . GLN 497 497 25500 2 . LYS 498 498 25500 2 . ILE 499 499 25500 2 . THR 500 500 25500 2 . ILE 501 501 25500 2 . LYS 502 502 25500 2 . ALA 503 503 25500 2 . SER 504 504 25500 2 . SER 505 505 25500 2 . GLY 506 506 25500 2 . LEU 507 507 25500 2 . ASN 508 508 25500 2 . GLU 509 509 25500 2 . ASP 510 510 25500 2 . GLU 511 511 25500 2 . ILE 512 512 25500 2 . GLN 513 513 25500 2 . LYS 514 514 25500 2 . MET 515 515 25500 2 . VAL 516 516 25500 2 . ARG 517 517 25500 2 . ASP 518 518 25500 2 . ALA 519 519 25500 2 . GLU 520 520 25500 2 . ALA 521 521 25500 2 . ASN 522 522 25500 2 . ALA 523 523 25500 2 . GLU 524 524 25500 2 . ALA 525 525 25500 2 . ASP 526 526 25500 2 . ARG 527 527 25500 2 . LYS 528 528 25500 2 . PHE 529 529 25500 2 . GLU 530 530 25500 2 . GLU 531 531 25500 2 . LEU 532 532 25500 2 . VAL 533 533 25500 2 . GLN 534 534 25500 2 . THR 535 535 25500 2 . ARG 536 536 25500 2 . ASN 537 537 25500 2 . GLN 538 538 25500 2 . GLY 539 539 25500 2 . ASP 540 540 25500 2 . HIS 541 541 25500 2 . LEU 542 542 25500 2 . LEU 543 543 25500 2 . HIS 544 544 25500 2 . SER 545 545 25500 2 . THR 546 546 25500 2 . ARG 547 547 25500 2 . LYS 548 548 25500 2 . GLN 549 549 25500 2 . VAL 550 550 25500 2 . GLU 551 551 25500 2 . GLU 552 552 25500 2 . ALA 553 553 25500 2 . GLY 554 554 25500 2 . ASP 555 555 25500 2 . LYS 556 556 25500 2 . LEU 557 557 25500 2 . PRO 558 558 25500 2 . ALA 559 559 25500 2 . ASP 560 560 25500 2 . ASP 561 561 25500 2 . LYS 562 562 25500 2 . THR 563 563 25500 2 . ALA 564 564 25500 2 . ILE 565 565 25500 2 . GLU 566 566 25500 2 . SER 567 567 25500 2 . ALA 568 568 25500 2 . LEU 569 569 25500 2 . THR 570 570 25500 2 . ALA 571 571 25500 2 . LEU 572 572 25500 2 . GLU 573 573 25500 2 . THR 574 574 25500 2 . ALA 575 575 25500 2 . LEU 576 576 25500 2 . LYS 577 577 25500 2 . GLY 578 578 25500 2 . GLU 579 579 25500 2 . ASP 580 580 25500 2 . LYS 581 581 25500 2 . ALA 582 582 25500 2 . ALA 583 583 25500 2 . ILE 584 584 25500 2 . GLU 585 585 25500 2 . ALA 586 586 25500 2 . LYS 587 587 25500 2 . MET 588 588 25500 2 . GLN 589 589 25500 2 . GLU 590 590 25500 2 . LEU 591 591 25500 2 . ALA 592 592 25500 2 . GLN 593 593 25500 2 . VAL 594 594 25500 2 . SER 595 595 25500 2 . GLN 596 596 25500 2 . LYS 597 597 25500 2 . LEU 598 598 25500 2 . MET 599 599 25500 2 . GLU 600 600 25500 2 . ILE 601 601 25500 2 . ALA 602 602 25500 2 . GLN 603 603 25500 2 . GLN 604 604 25500 2 . GLN 605 605 25500 2 . HIS 606 606 25500 2 . ALA 607 607 25500 2 . GLN 608 608 25500 2 . GLN 609 609 25500 2 . GLN 610 610 25500 2 . THR 611 611 25500 2 . ALA 612 612 25500 2 . GLY 613 613 25500 2 . ALA 614 614 25500 2 . ASP 615 615 25500 2 . ALA 616 616 25500 2 . SER 617 617 25500 2 . ALA 618 618 25500 2 . ASN 619 619 25500 2 . ASN 620 620 25500 2 . ALA 621 621 25500 2 . LYS 622 622 25500 2 . ASP 623 623 25500 2 . ASP 624 624 25500 2 . ASP 625 625 25500 2 . VAL 626 626 25500 2 . VAL 627 627 25500 2 . ASP 628 628 25500 2 . ALA 629 629 25500 2 . GLU 630 630 25500 2 . PHE 631 631 25500 2 . GLU 632 632 25500 2 . GLU 633 633 25500 2 . VAL 634 634 25500 2 . LYS 635 635 25500 2 . ASP 636 636 25500 2 . LYS 637 637 25500 2 . LYS 638 638 25500 2 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 25500 _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 $drkN_SH3 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 25500 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 25500 _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 $drkN_SH3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-17b . . . 25500 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25500 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'drkN SH3' '[U-99% 13C; U-99% 15N]' . . 1 $drkN_SH3 . . 0.3 . . mM . . . . 25500 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 25500 1 3 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 25500 1 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 25500 1 5 DTT 'natural abundance' . . . . . . 15 . . mM . . . . 25500 1 6 DnaK 'natural abundance' . . 2 $DnaK_Chaperone . . 1.2 . . mM . . . . 25500 1 7 ADP 'natural abundance' . . . . . . 5 . . mM . . . . 25500 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25500 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25500 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25500 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'drkN SH3' '[U-99% 13C; U-99% 15N]' . . 1 $drkN_SH3 . . 0.3 . . mM . . . . 25500 2 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 25500 2 3 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 25500 2 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 25500 2 5 DTT 'natural abundance' . . . . . . 15 . . mM . . . . 25500 2 6 DnaK 'natural abundance' . . 2 $DnaK_Chaperone . . 1.2 . . mM . . . . 25500 2 7 ADP 'natural abundance' . . . . . . 5 . . mM . . . . 25500 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25500 2 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25500 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition _Sample_condition_list.Entry_ID 25500 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 25500 1 temperature 298 . K 25500 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25500 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25500 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25500 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25500 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25500 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent INOVA . 600 . . . 25500 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 25500 _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 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 2 '3D CBCA(CO)NH 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 3 '3D HNCACB 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 4 '3D HNCO 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 5 '3D (HCA)CO(CA)NH 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 6 '2D 1H-15N HSQC 2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 7 '3D CBCA(CO)NH 2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 8 '3D HNCACB 2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 9 '3D HNCO 2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 10 '3D (HCA)CO(CA)NH 2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25500 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 25500 _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 0.0 external indirect 0.251449530 . . . . . 25500 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . 25500 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 25500 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_drkN_SH3_free_folded_in_the_presence_of_DnaK _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_drkN_SH3_free_folded_in_the_presence_of_DnaK _Assigned_chem_shift_list.Entry_ID 25500 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC 1' . . . 25500 1 2 '3D CBCA(CO)NH 1' . . . 25500 1 3 '3D HNCACB 1' . . . 25500 1 4 '3D HNCO 1' . . . 25500 1 5 '3D (HCA)CO(CA)NH 1' . . . 25500 1 6 '2D 1H-15N HSQC 2' . . . 25500 1 7 '3D CBCA(CO)NH 2' . . . 25500 1 8 '3D HNCACB 2' . . . 25500 1 9 '3D HNCO 2' . . . 25500 1 10 '3D (HCA)CO(CA)NH 2' . . . 25500 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 1 1 MET C C 13 173.883 . . 1 . . . . 1 MET C . 25500 1 2 . 1 1 1 1 MET CA C 13 55.607 . . 1 . . . . 1 MET CA . 25500 1 3 . 1 1 1 1 MET CB C 13 34.430 . . 1 . . . . 1 MET CB . 25500 1 4 . 1 1 2 2 GLU H H 1 8.779 . . 1 . . . . 2 GLU H . 25500 1 5 . 1 1 2 2 GLU C C 13 174.205 . . 1 . . . . 2 GLU C . 25500 1 6 . 1 1 2 2 GLU CA C 13 55.220 . . 1 . . . . 2 GLU CA . 25500 1 7 . 1 1 2 2 GLU CB C 13 33.788 . . 1 . . . . 2 GLU CB . 25500 1 8 . 1 1 2 2 GLU N N 15 124.344 . . 1 . . . . 2 GLU N . 25500 1 9 . 1 1 3 3 ALA H H 1 8.966 . . 1 . . . . 3 ALA H . 25500 1 10 . 1 1 3 3 ALA C C 13 174.399 . . 1 . . . . 3 ALA C . 25500 1 11 . 1 1 3 3 ALA CA C 13 50.440 . . 1 . . . . 3 ALA CA . 25500 1 12 . 1 1 3 3 ALA CB C 13 25.000 . . 1 . . . . 3 ALA CB . 25500 1 13 . 1 1 3 3 ALA N N 15 122.224 . . 1 . . . . 3 ALA N . 25500 1 14 . 1 1 4 4 ILE H H 1 8.831 . . 1 . . . . 4 ILE H . 25500 1 15 . 1 1 4 4 ILE C C 13 176.110 . . 1 . . . . 4 ILE C . 25500 1 16 . 1 1 4 4 ILE CA C 13 59.218 . . 1 . . . . 4 ILE CA . 25500 1 17 . 1 1 4 4 ILE CB C 13 40.982 . . 1 . . . . 4 ILE CB . 25500 1 18 . 1 1 4 4 ILE N N 15 119.078 . . 1 . . . . 4 ILE N . 25500 1 19 . 1 1 5 5 ALA H H 1 8.783 . . 1 . . . . 5 ALA H . 25500 1 20 . 1 1 5 5 ALA C C 13 178.987 . . 1 . . . . 5 ALA C . 25500 1 21 . 1 1 5 5 ALA CA C 13 52.927 . . 1 . . . . 5 ALA CA . 25500 1 22 . 1 1 5 5 ALA CB C 13 21.444 . . 1 . . . . 5 ALA CB . 25500 1 23 . 1 1 5 5 ALA N N 15 128.167 . . 1 . . . . 5 ALA N . 25500 1 24 . 1 1 6 6 LYS H H 1 9.406 . . 1 . . . . 6 LYS H . 25500 1 25 . 1 1 6 6 LYS C C 13 174.410 . . 1 . . . . 6 LYS C . 25500 1 26 . 1 1 6 6 LYS CA C 13 56.477 . . 1 . . . . 6 LYS CA . 25500 1 27 . 1 1 6 6 LYS CB C 13 33.185 . . 1 . . . . 6 LYS CB . 25500 1 28 . 1 1 6 6 LYS N N 15 126.020 . . 1 . . . . 6 LYS N . 25500 1 29 . 1 1 7 7 HIS H H 1 7.467 . . 1 . . . . 7 HIS H . 25500 1 30 . 1 1 7 7 HIS C C 13 173.018 . . 1 . . . . 7 HIS C . 25500 1 31 . 1 1 7 7 HIS CA C 13 53.747 . . 1 . . . . 7 HIS CA . 25500 1 32 . 1 1 7 7 HIS CB C 13 34.891 . . 1 . . . . 7 HIS CB . 25500 1 33 . 1 1 7 7 HIS N N 15 114.155 . . 1 . . . . 7 HIS N . 25500 1 34 . 1 1 8 8 ASP H H 1 8.532 . . 1 . . . . 8 ASP H . 25500 1 35 . 1 1 8 8 ASP C C 13 175.724 . . 1 . . . . 8 ASP C . 25500 1 36 . 1 1 8 8 ASP CA C 13 54.828 . . 1 . . . . 8 ASP CA . 25500 1 37 . 1 1 8 8 ASP CB C 13 41.717 . . 1 . . . . 8 ASP CB . 25500 1 38 . 1 1 8 8 ASP N N 15 119.236 . . 1 . . . . 8 ASP N . 25500 1 39 . 1 1 9 9 PHE H H 1 8.553 . . 1 . . . . 9 PHE H . 25500 1 40 . 1 1 9 9 PHE C C 13 173.636 . . 1 . . . . 9 PHE C . 25500 1 41 . 1 1 9 9 PHE CB C 13 43.070 . . 1 . . . . 9 PHE CB . 25500 1 42 . 1 1 9 9 PHE N N 15 121.321 . . 1 . . . . 9 PHE N . 25500 1 43 . 1 1 10 10 SER H H 1 7.633 . . 1 . . . . 10 SER H . 25500 1 44 . 1 1 10 10 SER C C 13 171.612 . . 1 . . . . 10 SER C . 25500 1 45 . 1 1 10 10 SER CA C 13 55.684 . . 1 . . . . 10 SER CA . 25500 1 46 . 1 1 10 10 SER CB C 13 63.478 . . 1 . . . . 10 SER CB . 25500 1 47 . 1 1 10 10 SER N N 15 123.633 . . 1 . . . . 10 SER N . 25500 1 48 . 1 1 11 11 ALA H H 1 8.257 . . 1 . . . . 11 ALA H . 25500 1 49 . 1 1 11 11 ALA C C 13 178.483 . . 1 . . . . 11 ALA C . 25500 1 50 . 1 1 11 11 ALA CA C 13 52.941 . . 1 . . . . 11 ALA CA . 25500 1 51 . 1 1 11 11 ALA CB C 13 20.915 . . 1 . . . . 11 ALA CB . 25500 1 52 . 1 1 11 11 ALA N N 15 127.553 . . 1 . . . . 11 ALA N . 25500 1 53 . 1 1 12 12 THR H H 1 9.096 . . 1 . . . . 12 THR H . 25500 1 54 . 1 1 12 12 THR C C 13 173.474 . . 1 . . . . 12 THR C . 25500 1 55 . 1 1 12 12 THR CA C 13 61.853 . . 1 . . . . 12 THR CA . 25500 1 56 . 1 1 12 12 THR CB C 13 70.194 . . 1 . . . . 12 THR CB . 25500 1 57 . 1 1 12 12 THR N N 15 113.708 . . 1 . . . . 12 THR N . 25500 1 58 . 1 1 13 13 ALA H H 1 7.540 . . 1 . . . . 13 ALA H . 25500 1 59 . 1 1 13 13 ALA C C 13 178.256 . . 1 . . . . 13 ALA C . 25500 1 60 . 1 1 13 13 ALA CA C 13 50.749 . . 1 . . . . 13 ALA CA . 25500 1 61 . 1 1 13 13 ALA CB C 13 22.289 . . 1 . . . . 13 ALA CB . 25500 1 62 . 1 1 13 13 ALA N N 15 124.052 . . 1 . . . . 13 ALA N . 25500 1 63 . 1 1 14 14 ASP H H 1 8.604 . . 1 . . . . 14 ASP H . 25500 1 64 . 1 1 14 14 ASP C C 13 176.108 . . 1 . . . . 14 ASP C . 25500 1 65 . 1 1 14 14 ASP CA C 13 56.541 . . 1 . . . . 14 ASP CA . 25500 1 66 . 1 1 14 14 ASP CB C 13 40.672 . . 1 . . . . 14 ASP CB . 25500 1 67 . 1 1 14 14 ASP N N 15 119.037 . . 1 . . . . 14 ASP N . 25500 1 68 . 1 1 15 15 ASP H H 1 8.249 . . 1 . . . . 15 ASP H . 25500 1 69 . 1 1 15 15 ASP C C 13 176.170 . . 1 . . . . 15 ASP C . 25500 1 70 . 1 1 15 15 ASP CA C 13 53.247 . . 1 . . . . 15 ASP CA . 25500 1 71 . 1 1 15 15 ASP CB C 13 40.035 . . 1 . . . . 15 ASP CB . 25500 1 72 . 1 1 15 15 ASP N N 15 114.695 . . 1 . . . . 15 ASP N . 25500 1 73 . 1 1 16 16 GLU H H 1 7.416 . . 1 . . . . 16 GLU H . 25500 1 74 . 1 1 16 16 GLU C C 13 175.211 . . 1 . . . . 16 GLU C . 25500 1 75 . 1 1 16 16 GLU CA C 13 55.250 . . 1 . . . . 16 GLU CA . 25500 1 76 . 1 1 16 16 GLU CB C 13 33.114 . . 1 . . . . 16 GLU CB . 25500 1 77 . 1 1 16 16 GLU N N 15 119.380 . . 1 . . . . 16 GLU N . 25500 1 78 . 1 1 17 17 LEU H H 1 8.551 . . 1 . . . . 17 LEU H . 25500 1 79 . 1 1 17 17 LEU C C 13 174.403 . . 1 . . . . 17 LEU C . 25500 1 80 . 1 1 17 17 LEU CA C 13 53.635 . . 1 . . . . 17 LEU CA . 25500 1 81 . 1 1 17 17 LEU CB C 13 45.468 . . 1 . . . . 17 LEU CB . 25500 1 82 . 1 1 17 17 LEU N N 15 124.741 . . 1 . . . . 17 LEU N . 25500 1 83 . 1 1 18 18 SER H H 1 7.860 . . 1 . . . . 18 SER H . 25500 1 84 . 1 1 18 18 SER C C 13 173.807 . . 1 . . . . 18 SER C . 25500 1 85 . 1 1 18 18 SER CA C 13 58.969 . . 1 . . . . 18 SER CA . 25500 1 86 . 1 1 18 18 SER CB C 13 64.780 . . 1 . . . . 18 SER CB . 25500 1 87 . 1 1 18 18 SER N N 15 117.564 . . 1 . . . . 18 SER N . 25500 1 88 . 1 1 19 19 PHE H H 1 8.675 . . 1 . . . . 19 PHE H . 25500 1 89 . 1 1 19 19 PHE C C 13 173.891 . . 1 . . . . 19 PHE C . 25500 1 90 . 1 1 19 19 PHE CA C 13 56.817 . . 1 . . . . 19 PHE CA . 25500 1 91 . 1 1 19 19 PHE CB C 13 40.678 . . 1 . . . . 19 PHE CB . 25500 1 92 . 1 1 19 19 PHE N N 15 114.662 . . 1 . . . . 19 PHE N . 25500 1 93 . 1 1 21 21 LYS H H 1 9.227 . . 1 . . . . 21 LYS H . 25500 1 94 . 1 1 21 21 LYS C C 13 177.355 . . 1 . . . . 21 LYS C . 25500 1 95 . 1 1 21 21 LYS CA C 13 58.188 . . 1 . . . . 21 LYS CA . 25500 1 96 . 1 1 21 21 LYS CB C 13 33.342 . . 1 . . . . 21 LYS CB . 25500 1 97 . 1 1 21 21 LYS N N 15 120.427 . . 1 . . . . 21 LYS N . 25500 1 98 . 1 1 22 22 THR H H 1 8.810 . . 1 . . . . 22 THR H . 25500 1 99 . 1 1 22 22 THR C C 13 173.460 . . 1 . . . . 22 THR C . 25500 1 100 . 1 1 22 22 THR CA C 13 66.554 . . 1 . . . . 22 THR CA . 25500 1 101 . 1 1 22 22 THR CB C 13 69.409 . . 1 . . . . 22 THR CB . 25500 1 102 . 1 1 22 22 THR N N 15 117.088 . . 1 . . . . 22 THR N . 25500 1 103 . 1 1 23 23 GLN H H 1 8.188 . . 1 . . . . 23 GLN H . 25500 1 104 . 1 1 23 23 GLN C C 13 174.204 . . 1 . . . . 23 GLN C . 25500 1 105 . 1 1 23 23 GLN CA C 13 58.945 . . 1 . . . . 23 GLN CA . 25500 1 106 . 1 1 23 23 GLN CB C 13 30.133 . . 1 . . . . 23 GLN CB . 25500 1 107 . 1 1 23 23 GLN N N 15 120.654 . . 1 . . . . 23 GLN N . 25500 1 108 . 1 1 24 24 ILE H H 1 8.180 . . 1 . . . . 24 ILE H . 25500 1 109 . 1 1 24 24 ILE C C 13 175.776 . . 1 . . . . 24 ILE C . 25500 1 110 . 1 1 24 24 ILE CA C 13 59.741 . . 1 . . . . 24 ILE CA . 25500 1 111 . 1 1 24 24 ILE CB C 13 37.865 . . 1 . . . . 24 ILE CB . 25500 1 112 . 1 1 24 24 ILE N N 15 120.477 . . 1 . . . . 24 ILE N . 25500 1 113 . 1 1 25 25 LEU H H 1 9.087 . . 1 . . . . 25 LEU H . 25500 1 114 . 1 1 25 25 LEU C C 13 175.437 . . 1 . . . . 25 LEU C . 25500 1 115 . 1 1 25 25 LEU CB C 13 44.776 . . 1 . . . . 25 LEU CB . 25500 1 116 . 1 1 25 25 LEU N N 15 127.959 . . 1 . . . . 25 LEU N . 25500 1 117 . 1 1 26 26 LYS H H 1 8.233 . . 1 . . . . 26 LYS H . 25500 1 118 . 1 1 26 26 LYS C C 13 175.916 . . 1 . . . . 26 LYS C . 25500 1 119 . 1 1 26 26 LYS CA C 13 55.350 . . 1 . . . . 26 LYS CA . 25500 1 120 . 1 1 26 26 LYS CB C 13 33.120 . . 1 . . . . 26 LYS CB . 25500 1 121 . 1 1 26 26 LYS N N 15 121.901 . . 1 . . . . 26 LYS N . 25500 1 122 . 1 1 27 27 ILE H H 1 8.555 . . 1 . . . . 27 ILE H . 25500 1 123 . 1 1 27 27 ILE C C 13 175.648 . . 1 . . . . 27 ILE C . 25500 1 124 . 1 1 27 27 ILE CA C 13 59.219 . . 1 . . . . 27 ILE CA . 25500 1 125 . 1 1 27 27 ILE CB C 13 35.686 . . 1 . . . . 27 ILE CB . 25500 1 126 . 1 1 27 27 ILE N N 15 124.677 . . 1 . . . . 27 ILE N . 25500 1 127 . 1 1 28 28 LEU H H 1 9.228 . . 1 . . . . 28 LEU H . 25500 1 128 . 1 1 28 28 LEU C C 13 177.339 . . 1 . . . . 28 LEU C . 25500 1 129 . 1 1 28 28 LEU CA C 13 55.519 . . 1 . . . . 28 LEU CA . 25500 1 130 . 1 1 28 28 LEU CB C 13 42.701 . . 1 . . . . 28 LEU CB . 25500 1 131 . 1 1 28 28 LEU N N 15 128.468 . . 1 . . . . 28 LEU N . 25500 1 132 . 1 1 29 29 ASN H H 1 7.635 . . 1 . . . . 29 ASN H . 25500 1 133 . 1 1 29 29 ASN C C 13 173.562 . . 1 . . . . 29 ASN C . 25500 1 134 . 1 1 29 29 ASN CA C 13 54.146 . . 1 . . . . 29 ASN CA . 25500 1 135 . 1 1 29 29 ASN CB C 13 41.311 . . 1 . . . . 29 ASN CB . 25500 1 136 . 1 1 29 29 ASN N N 15 114.064 . . 1 . . . . 29 ASN N . 25500 1 137 . 1 1 30 30 MET H H 1 8.815 . . 1 . . . . 30 MET H . 25500 1 138 . 1 1 30 30 MET C C 13 174.647 . . 1 . . . . 30 MET C . 25500 1 139 . 1 1 30 30 MET CA C 13 55.161 . . 1 . . . . 30 MET CA . 25500 1 140 . 1 1 30 30 MET CB C 13 33.200 . . 1 . . . . 30 MET CB . 25500 1 141 . 1 1 30 30 MET N N 15 123.433 . . 1 . . . . 30 MET N . 25500 1 142 . 1 1 31 31 GLU H H 1 8.111 . . 1 . . . . 31 GLU H . 25500 1 143 . 1 1 31 31 GLU C C 13 176.754 . . 1 . . . . 31 GLU C . 25500 1 144 . 1 1 31 31 GLU CB C 13 31.225 . . 1 . . . . 31 GLU CB . 25500 1 145 . 1 1 31 31 GLU N N 15 121.336 . . 1 . . . . 31 GLU N . 25500 1 146 . 1 1 32 32 ASP H H 1 8.425 . . 1 . . . . 32 ASP H . 25500 1 147 . 1 1 32 32 ASP C C 13 176.421 . . 1 . . . . 32 ASP C . 25500 1 148 . 1 1 32 32 ASP CA C 13 56.525 . . 1 . . . . 32 ASP CA . 25500 1 149 . 1 1 32 32 ASP CB C 13 41.188 . . 1 . . . . 32 ASP CB . 25500 1 150 . 1 1 32 32 ASP N N 15 121.231 . . 1 . . . . 32 ASP N . 25500 1 151 . 1 1 33 33 ASP H H 1 8.253 . . 1 . . . . 33 ASP H . 25500 1 152 . 1 1 33 33 ASP C C 13 175.457 . . 1 . . . . 33 ASP C . 25500 1 153 . 1 1 33 33 ASP CA C 13 54.142 . . 1 . . . . 33 ASP CA . 25500 1 154 . 1 1 33 33 ASP N N 15 118.988 . . 1 . . . . 33 ASP N . 25500 1 155 . 1 1 34 34 SER H H 1 8.181 . . 1 . . . . 34 SER H . 25500 1 156 . 1 1 34 34 SER C C 13 174.943 . . 1 . . . . 34 SER C . 25500 1 157 . 1 1 34 34 SER CA C 13 59.230 . . 1 . . . . 34 SER CA . 25500 1 158 . 1 1 34 34 SER CB C 13 64.208 . . 1 . . . . 34 SER CB . 25500 1 159 . 1 1 34 34 SER N N 15 115.845 . . 1 . . . . 34 SER N . 25500 1 160 . 1 1 35 35 ASN H H 1 8.916 . . 1 . . . . 35 ASN H . 25500 1 161 . 1 1 35 35 ASN C C 13 174.627 . . 1 . . . . 35 ASN C . 25500 1 162 . 1 1 35 35 ASN CA C 13 54.179 . . 1 . . . . 35 ASN CA . 25500 1 163 . 1 1 35 35 ASN N N 15 119.377 . . 1 . . . . 35 ASN N . 25500 1 164 . 1 1 36 36 TRP H H 1 7.995 . . 1 . . . . 36 TRP H . 25500 1 165 . 1 1 36 36 TRP C C 13 174.973 . . 1 . . . . 36 TRP C . 25500 1 166 . 1 1 36 36 TRP CA C 13 56.053 . . 1 . . . . 36 TRP CA . 25500 1 167 . 1 1 36 36 TRP CB C 13 31.849 . . 1 . . . . 36 TRP CB . 25500 1 168 . 1 1 36 36 TRP N N 15 121.330 . . 1 . . . . 36 TRP N . 25500 1 169 . 1 1 37 37 TYR H H 1 8.970 . . 1 . . . . 37 TYR H . 25500 1 170 . 1 1 37 37 TYR C C 13 175.353 . . 1 . . . . 37 TYR C . 25500 1 171 . 1 1 37 37 TYR CA C 13 52.931 . . 1 . . . . 37 TYR CA . 25500 1 172 . 1 1 37 37 TYR CB C 13 39.784 . . 1 . . . . 37 TYR CB . 25500 1 173 . 1 1 37 37 TYR N N 15 120.595 . . 1 . . . . 37 TYR N . 25500 1 174 . 1 1 38 38 ARG H H 1 8.727 . . 1 . . . . 38 ARG H . 25500 1 175 . 1 1 38 38 ARG CA C 13 56.456 . . 1 . . . . 38 ARG CA . 25500 1 176 . 1 1 38 38 ARG CB C 13 31.579 . . 1 . . . . 38 ARG CB . 25500 1 177 . 1 1 38 38 ARG N N 15 121.299 . . 1 . . . . 38 ARG N . 25500 1 178 . 1 1 40 40 GLU C C 13 174.804 . . 1 . . . . 40 GLU C . 25500 1 179 . 1 1 40 40 GLU CA C 13 54.529 . . 1 . . . . 40 GLU CA . 25500 1 180 . 1 1 40 40 GLU CB C 13 34.197 . . 1 . . . . 40 GLU CB . 25500 1 181 . 1 1 41 41 LEU H H 1 8.923 . . 1 . . . . 41 LEU H . 25500 1 182 . 1 1 41 41 LEU C C 13 175.920 . . 1 . . . . 41 LEU C . 25500 1 183 . 1 1 41 41 LEU CA C 13 54.956 . . 1 . . . . 41 LEU CA . 25500 1 184 . 1 1 41 41 LEU CB C 13 45.970 . . 1 . . . . 41 LEU CB . 25500 1 185 . 1 1 41 41 LEU N N 15 125.829 . . 1 . . . . 41 LEU N . 25500 1 186 . 1 1 42 42 ASP H H 1 9.648 . . 1 . . . . 42 ASP H . 25500 1 187 . 1 1 42 42 ASP C C 13 175.764 . . 1 . . . . 42 ASP C . 25500 1 188 . 1 1 42 42 ASP CA C 13 55.560 . . 1 . . . . 42 ASP CA . 25500 1 189 . 1 1 42 42 ASP CB C 13 39.872 . . 1 . . . . 42 ASP CB . 25500 1 190 . 1 1 42 42 ASP N N 15 129.600 . . 1 . . . . 42 ASP N . 25500 1 191 . 1 1 43 43 GLY H H 1 9.159 . . 1 . . . . 43 GLY H . 25500 1 192 . 1 1 43 43 GLY C C 13 173.827 . . 1 . . . . 43 GLY C . 25500 1 193 . 1 1 43 43 GLY CA C 13 45.586 . . 1 . . . . 43 GLY CA . 25500 1 194 . 1 1 43 43 GLY N N 15 104.728 . . 1 . . . . 43 GLY N . 25500 1 195 . 1 1 44 44 LYS H H 1 7.928 . . 1 . . . . 44 LYS H . 25500 1 196 . 1 1 44 44 LYS C C 13 174.019 . . 1 . . . . 44 LYS C . 25500 1 197 . 1 1 44 44 LYS CA C 13 54.928 . . 1 . . . . 44 LYS CA . 25500 1 198 . 1 1 44 44 LYS CB C 13 34.663 . . 1 . . . . 44 LYS CB . 25500 1 199 . 1 1 44 44 LYS N N 15 122.517 . . 1 . . . . 44 LYS N . 25500 1 200 . 1 1 45 45 GLU H H 1 8.446 . . 1 . . . . 45 GLU H . 25500 1 201 . 1 1 45 45 GLU C C 13 177.013 . . 1 . . . . 45 GLU C . 25500 1 202 . 1 1 45 45 GLU CA C 13 53.851 . . 1 . . . . 45 GLU CA . 25500 1 203 . 1 1 45 45 GLU CB C 13 33.676 . . 1 . . . . 45 GLU CB . 25500 1 204 . 1 1 45 45 GLU N N 15 120.525 . . 1 . . . . 45 GLU N . 25500 1 205 . 1 1 46 46 GLY H H 1 8.853 . . 1 . . . . 46 GLY H . 25500 1 206 . 1 1 46 46 GLY C C 13 170.702 . . 1 . . . . 46 GLY C . 25500 1 207 . 1 1 46 46 GLY CA C 13 45.558 . . 1 . . . . 46 GLY CA . 25500 1 208 . 1 1 46 46 GLY N N 15 107.954 . . 1 . . . . 46 GLY N . 25500 1 209 . 1 1 47 47 LEU H H 1 9.254 . . 1 . . . . 47 LEU H . 25500 1 210 . 1 1 47 47 LEU C C 13 177.635 . . 1 . . . . 47 LEU C . 25500 1 211 . 1 1 47 47 LEU CA C 13 54.870 . . 1 . . . . 47 LEU CA . 25500 1 212 . 1 1 47 47 LEU CB C 13 44.585 . . 1 . . . . 47 LEU CB . 25500 1 213 . 1 1 47 47 LEU N N 15 120.499 . . 1 . . . . 47 LEU N . 25500 1 214 . 1 1 48 48 ILE H H 1 9.396 . . 1 . . . . 48 ILE H . 25500 1 215 . 1 1 48 48 ILE CA C 13 56.819 . . 1 . . . . 48 ILE CA . 25500 1 216 . 1 1 48 48 ILE CB C 13 40.990 . . 1 . . . . 48 ILE CB . 25500 1 217 . 1 1 48 48 ILE N N 15 112.545 . . 1 . . . . 48 ILE N . 25500 1 218 . 1 1 49 49 PRO C C 13 178.857 . . 1 . . . . 49 PRO C . 25500 1 219 . 1 1 49 49 PRO CA C 13 60.814 . . 1 . . . . 49 PRO CA . 25500 1 220 . 1 1 49 49 PRO CB C 13 30.180 . . 1 . . . . 49 PRO CB . 25500 1 221 . 1 1 50 50 SER H H 1 7.861 . . 1 . . . . 50 SER H . 25500 1 222 . 1 1 50 50 SER C C 13 175.154 . . 1 . . . . 50 SER C . 25500 1 223 . 1 1 50 50 SER CA C 13 60.438 . . 1 . . . . 50 SER CA . 25500 1 224 . 1 1 50 50 SER CB C 13 62.477 . . 1 . . . . 50 SER CB . 25500 1 225 . 1 1 50 50 SER N N 15 119.802 . . 1 . . . . 50 SER N . 25500 1 226 . 1 1 51 51 ASN H H 1 8.373 . . 1 . . . . 51 ASN H . 25500 1 227 . 1 1 51 51 ASN C C 13 175.842 . . 1 . . . . 51 ASN C . 25500 1 228 . 1 1 51 51 ASN CA C 13 53.682 . . 1 . . . . 51 ASN CA . 25500 1 229 . 1 1 51 51 ASN CB C 13 36.497 . . 1 . . . . 51 ASN CB . 25500 1 230 . 1 1 51 51 ASN N N 15 115.170 . . 1 . . . . 51 ASN N . 25500 1 231 . 1 1 52 52 TYR H H 1 7.704 . . 1 . . . . 52 TYR H . 25500 1 232 . 1 1 52 52 TYR C C 13 174.829 . . 1 . . . . 52 TYR C . 25500 1 233 . 1 1 52 52 TYR CA C 13 58.180 . . 1 . . . . 52 TYR CA . 25500 1 234 . 1 1 52 52 TYR CB C 13 38.967 . . 1 . . . . 52 TYR CB . 25500 1 235 . 1 1 52 52 TYR N N 15 119.037 . . 1 . . . . 52 TYR N . 25500 1 236 . 1 1 53 53 ILE H H 1 7.222 . . 1 . . . . 53 ILE H . 25500 1 237 . 1 1 53 53 ILE C C 13 173.815 . . 1 . . . . 53 ILE C . 25500 1 238 . 1 1 53 53 ILE CA C 13 58.531 . . 1 . . . . 53 ILE CA . 25500 1 239 . 1 1 53 53 ILE CB C 13 41.972 . . 1 . . . . 53 ILE CB . 25500 1 240 . 1 1 53 53 ILE N N 15 110.765 . . 1 . . . . 53 ILE N . 25500 1 241 . 1 1 54 54 GLU H H 1 8.745 . . 1 . . . . 54 GLU H . 25500 1 242 . 1 1 54 54 GLU C C 13 175.679 . . 1 . . . . 54 GLU C . 25500 1 243 . 1 1 54 54 GLU CA C 13 54.464 . . 1 . . . . 54 GLU CA . 25500 1 244 . 1 1 54 54 GLU CB C 13 32.931 . . 1 . . . . 54 GLU CB . 25500 1 245 . 1 1 54 54 GLU N N 15 120.331 . . 1 . . . . 54 GLU N . 25500 1 246 . 1 1 55 55 MET H H 1 8.986 . . 1 . . . . 55 MET H . 25500 1 247 . 1 1 55 55 MET C C 13 176.515 . . 1 . . . . 55 MET C . 25500 1 248 . 1 1 55 55 MET CA C 13 55.381 . . 1 . . . . 55 MET CA . 25500 1 249 . 1 1 55 55 MET CB C 13 31.743 . . 1 . . . . 55 MET CB . 25500 1 250 . 1 1 55 55 MET N N 15 125.190 . . 1 . . . . 55 MET N . 25500 1 251 . 1 1 56 56 LYS H H 1 8.665 . . 1 . . . . 56 LYS H . 25500 1 252 . 1 1 56 56 LYS CA C 13 56.078 . . 1 . . . . 56 LYS CA . 25500 1 253 . 1 1 56 56 LYS CB C 13 33.154 . . 1 . . . . 56 LYS CB . 25500 1 254 . 1 1 56 56 LYS N N 15 123.924 . . 1 . . . . 56 LYS N . 25500 1 stop_ save_ save_assigned_chem_shift_list_drkN_SH3_free_and_bound_unfolded-like_in_the_presence_of_DnaK _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_drkN_SH3_free_and_bound_unfolded-like_in_the_presence_of_DnaK _Assigned_chem_shift_list.Entry_ID 25500 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC 1' . . . 25500 2 2 '3D CBCA(CO)NH 1' . . . 25500 2 3 '3D HNCACB 1' . . . 25500 2 4 '3D HNCO 1' . . . 25500 2 5 '3D (HCA)CO(CA)NH 1' . . . 25500 2 6 '2D 1H-15N HSQC 2' . . . 25500 2 7 '3D CBCA(CO)NH 2' . . . 25500 2 8 '3D HNCACB 2' . . . 25500 2 9 '3D HNCO 2' . . . 25500 2 10 '3D (HCA)CO(CA)NH 2' . . . 25500 2 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 . 2 1 2 2 GLU C C 13 175.789 . . 1 . . . . 2 GLU C . 25500 2 2 . 2 1 2 2 GLU CA C 13 57.668 . . 1 . . . . 2 GLU CA . 25500 2 3 . 2 1 2 2 GLU CB C 13 30.573 . . 1 . . . . 2 GLU CB . 25500 2 4 . 2 1 3 3 ALA H H 1 8.491 . . 1 . . . . 3 ALA H . 25500 2 5 . 2 1 3 3 ALA C C 13 177.904 . . 1 . . . . 3 ALA C . 25500 2 6 . 2 1 3 3 ALA CA C 13 52.468 . . 1 . . . . 3 ALA CA . 25500 2 7 . 2 1 3 3 ALA CB C 13 19.311 . . 1 . . . . 3 ALA CB . 25500 2 8 . 2 1 3 3 ALA N N 15 125.900 . . 1 . . . . 3 ALA N . 25500 2 9 . 2 1 4 4 ILE H H 1 8.101 . . 1 . . . . 4 ILE H . 25500 2 10 . 2 1 4 4 ILE C C 13 175.876 . . 1 . . . . 4 ILE C . 25500 2 11 . 2 1 4 4 ILE CA C 13 60.876 . . 1 . . . . 4 ILE CA . 25500 2 12 . 2 1 4 4 ILE CB C 13 38.836 . . 1 . . . . 4 ILE CB . 25500 2 13 . 2 1 4 4 ILE N N 15 120.453 . . 1 . . . . 4 ILE N . 25500 2 14 . 2 1 5 5 ALA H H 1 8.349 . . 1 . . . . 5 ALA H . 25500 2 15 . 2 1 5 5 ALA C C 13 177.275 . . 1 . . . . 5 ALA C . 25500 2 16 . 2 1 5 5 ALA CA C 13 52.274 . . 1 . . . . 5 ALA CA . 25500 2 17 . 2 1 5 5 ALA CB C 13 19.276 . . 1 . . . . 5 ALA CB . 25500 2 18 . 2 1 5 5 ALA N N 15 128.497 . . 1 . . . . 5 ALA N . 25500 2 19 . 2 1 6 6 LYS H H 1 8.225 . . 1 . . . . 6 LYS H . 25500 2 20 . 2 1 6 6 LYS CA C 13 56.228 . . 1 . . . . 6 LYS CA . 25500 2 21 . 2 1 6 6 LYS CB C 13 33.262 . . 1 . . . . 6 LYS CB . 25500 2 22 . 2 1 6 6 LYS N N 15 121.020 . . 1 . . . . 6 LYS N . 25500 2 23 . 2 1 7 7 HIS C C 13 174.625 . . 1 . . . . 7 HIS C . 25500 2 24 . 2 1 7 7 HIS CA C 13 55.943 . . 1 . . . . 7 HIS CA . 25500 2 25 . 2 1 7 7 HIS CB C 13 30.358 . . 1 . . . . 7 HIS CB . 25500 2 26 . 2 1 8 8 ASP H H 1 8.214 . . 1 . . . . 8 ASP H . 25500 2 27 . 2 1 8 8 ASP C C 13 175.908 . . 1 . . . . 8 ASP C . 25500 2 28 . 2 1 8 8 ASP CA C 13 53.988 . . 1 . . . . 8 ASP CA . 25500 2 29 . 2 1 8 8 ASP CB C 13 41.183 . . 1 . . . . 8 ASP CB . 25500 2 30 . 2 1 8 8 ASP N N 15 121.408 . . 1 . . . . 8 ASP N . 25500 2 31 . 2 1 9 9 PHE H H 1 8.275 . . 1 . . . . 9 PHE H . 25500 2 32 . 2 1 9 9 PHE C C 13 175.864 . . 1 . . . . 9 PHE C . 25500 2 33 . 2 1 9 9 PHE CA C 13 58.025 . . 1 . . . . 9 PHE CA . 25500 2 34 . 2 1 9 9 PHE CB C 13 39.419 . . 1 . . . . 9 PHE CB . 25500 2 35 . 2 1 9 9 PHE N N 15 121.284 . . 1 . . . . 9 PHE N . 25500 2 36 . 2 1 10 10 SER H H 1 8.246 . . 1 . . . . 10 SER H . 25500 2 37 . 2 1 10 10 SER C C 13 174.155 . . 1 . . . . 10 SER C . 25500 2 38 . 2 1 10 10 SER CA C 13 58.518 . . 1 . . . . 10 SER CA . 25500 2 39 . 2 1 10 10 SER CB C 13 63.849 . . 1 . . . . 10 SER CB . 25500 2 40 . 2 1 10 10 SER N N 15 117.388 . . 1 . . . . 10 SER N . 25500 2 41 . 2 1 11 11 ALA H H 1 8.241 . . 1 . . . . 11 ALA H . 25500 2 42 . 2 1 11 11 ALA C C 13 177.863 . . 1 . . . . 11 ALA C . 25500 2 43 . 2 1 11 11 ALA CA C 13 52.731 . . 1 . . . . 11 ALA CA . 25500 2 44 . 2 1 11 11 ALA CB C 13 19.462 . . 1 . . . . 11 ALA CB . 25500 2 45 . 2 1 11 11 ALA N N 15 126.132 . . 1 . . . . 11 ALA N . 25500 2 46 . 2 1 12 12 THR H H 1 8.105 . . 1 . . . . 12 THR H . 25500 2 47 . 2 1 12 12 THR C C 13 174.497 . . 1 . . . . 12 THR C . 25500 2 48 . 2 1 12 12 THR CA C 13 61.690 . . 1 . . . . 12 THR CA . 25500 2 49 . 2 1 12 12 THR CB C 13 69.904 . . 1 . . . . 12 THR CB . 25500 2 50 . 2 1 12 12 THR N N 15 112.824 . . 1 . . . . 12 THR N . 25500 2 51 . 2 1 13 13 ALA H H 1 8.298 . . 1 . . . . 13 ALA H . 25500 2 52 . 2 1 13 13 ALA C C 13 177.716 . . 1 . . . . 13 ALA C . 25500 2 53 . 2 1 13 13 ALA CA C 13 52.862 . . 1 . . . . 13 ALA CA . 25500 2 54 . 2 1 13 13 ALA CB C 13 19.427 . . 1 . . . . 13 ALA CB . 25500 2 55 . 2 1 13 13 ALA N N 15 126.168 . . 1 . . . . 13 ALA N . 25500 2 56 . 2 1 14 14 ASP H H 1 8.263 . . 1 . . . . 14 ASP H . 25500 2 57 . 2 1 14 14 ASP C C 13 176.477 . . 1 . . . . 14 ASP C . 25500 2 58 . 2 1 14 14 ASP CA C 13 54.868 . . 1 . . . . 14 ASP CA . 25500 2 59 . 2 1 14 14 ASP CB C 13 41.127 . . 1 . . . . 14 ASP CB . 25500 2 60 . 2 1 14 14 ASP N N 15 119.490 . . 1 . . . . 14 ASP N . 25500 2 61 . 2 1 15 15 ASP H H 1 8.217 . . 1 . . . . 15 ASP H . 25500 2 62 . 2 1 15 15 ASP C C 13 176.928 . . 1 . . . . 15 ASP C . 25500 2 63 . 2 1 15 15 ASP CA C 13 54.856 . . 1 . . . . 15 ASP CA . 25500 2 64 . 2 1 15 15 ASP CB C 13 41.118 . . 1 . . . . 15 ASP CB . 25500 2 65 . 2 1 15 15 ASP N N 15 120.540 . . 1 . . . . 15 ASP N . 25500 2 66 . 2 1 16 16 GLU H H 1 8.337 . . 1 . . . . 16 GLU H . 25500 2 67 . 2 1 16 16 GLU C C 13 177.019 . . 1 . . . . 16 GLU C . 25500 2 68 . 2 1 16 16 GLU CA C 13 57.785 . . 1 . . . . 16 GLU CA . 25500 2 69 . 2 1 16 16 GLU CB C 13 29.876 . . 1 . . . . 16 GLU CB . 25500 2 70 . 2 1 16 16 GLU N N 15 121.000 . . 1 . . . . 16 GLU N . 25500 2 71 . 2 1 17 17 LEU H H 1 8.128 . . 1 . . . . 17 LEU H . 25500 2 72 . 2 1 17 17 LEU C C 13 178.382 . . 1 . . . . 17 LEU C . 25500 2 73 . 2 1 17 17 LEU CA C 13 56.385 . . 1 . . . . 17 LEU CA . 25500 2 74 . 2 1 17 17 LEU CB C 13 41.705 . . 1 . . . . 17 LEU CB . 25500 2 75 . 2 1 17 17 LEU N N 15 120.777 . . 1 . . . . 17 LEU N . 25500 2 76 . 2 1 18 18 SER H H 1 8.097 . . 1 . . . . 18 SER H . 25500 2 77 . 2 1 18 18 SER C C 13 175.354 . . 1 . . . . 18 SER C . 25500 2 78 . 2 1 18 18 SER CA C 13 59.860 . . 1 . . . . 18 SER CA . 25500 2 79 . 2 1 18 18 SER CB C 13 63.346 . . 1 . . . . 18 SER CB . 25500 2 80 . 2 1 18 18 SER N N 15 115.208 . . 1 . . . . 18 SER N . 25500 2 81 . 2 1 19 19 PHE H H 1 8.069 . . 1 . . . . 19 PHE H . 25500 2 82 . 2 1 19 19 PHE C C 13 176.498 . . 1 . . . . 19 PHE C . 25500 2 83 . 2 1 19 19 PHE CB C 13 38.854 . . 1 . . . . 19 PHE CB . 25500 2 84 . 2 1 19 19 PHE N N 15 121.585 . . 1 . . . . 19 PHE N . 25500 2 85 . 2 1 21 21 LYS C C 13 177.303 . . 1 . . . . 21 LYS C . 25500 2 86 . 2 1 21 21 LYS CA C 13 57.581 . . 1 . . . . 21 LYS CA . 25500 2 87 . 2 1 21 21 LYS CB C 13 32.818 . . 1 . . . . 21 LYS CB . 25500 2 88 . 2 1 22 22 THR H H 1 7.996 . . 1 . . . . 22 THR H . 25500 2 89 . 2 1 22 22 THR C C 13 174.924 . . 1 . . . . 22 THR C . 25500 2 90 . 2 1 22 22 THR CA C 13 63.159 . . 1 . . . . 22 THR CA . 25500 2 91 . 2 1 22 22 THR CB C 13 69.483 . . 1 . . . . 22 THR CB . 25500 2 92 . 2 1 22 22 THR N N 15 113.998 . . 1 . . . . 22 THR N . 25500 2 93 . 2 1 23 23 GLN H H 1 8.158 . . 1 . . . . 23 GLN H . 25500 2 94 . 2 1 23 23 GLN C C 13 176.246 . . 1 . . . . 23 GLN C . 25500 2 95 . 2 1 23 23 GLN CA C 13 56.461 . . 1 . . . . 23 GLN CA . 25500 2 96 . 2 1 23 23 GLN N N 15 122.057 . . 1 . . . . 23 GLN N . 25500 2 97 . 2 1 24 24 ILE H H 1 8.036 . . 1 . . . . 24 ILE H . 25500 2 98 . 2 1 24 24 ILE C C 13 176.337 . . 1 . . . . 24 ILE C . 25500 2 99 . 2 1 24 24 ILE CA C 13 61.712 . . 1 . . . . 24 ILE CA . 25500 2 100 . 2 1 24 24 ILE N N 15 121.535 . . 1 . . . . 24 ILE N . 25500 2 101 . 2 1 25 25 LEU H H 1 8.134 . . 1 . . . . 25 LEU H . 25500 2 102 . 2 1 25 25 LEU CA C 13 55.852 . . 1 . . . . 25 LEU CA . 25500 2 103 . 2 1 25 25 LEU N N 15 124.784 . . 1 . . . . 25 LEU N . 25500 2 104 . 2 1 26 26 LYS C C 13 176.606 . . 1 . . . . 26 LYS C . 25500 2 105 . 2 1 26 26 LYS CA C 13 55.125 . . 1 . . . . 26 LYS CA . 25500 2 106 . 2 1 26 26 LYS CB C 13 32.853 . . 1 . . . . 26 LYS CB . 25500 2 107 . 2 1 27 27 ILE H H 1 8.011 . . 1 . . . . 27 ILE H . 25500 2 108 . 2 1 27 27 ILE C C 13 176.395 . . 1 . . . . 27 ILE C . 25500 2 109 . 2 1 27 27 ILE CA C 13 61.509 . . 1 . . . . 27 ILE CA . 25500 2 110 . 2 1 27 27 ILE CB C 13 38.958 . . 1 . . . . 27 ILE CB . 25500 2 111 . 2 1 27 27 ILE N N 15 121.708 . . 1 . . . . 27 ILE N . 25500 2 112 . 2 1 28 28 LEU H H 1 8.242 . . 1 . . . . 28 LEU H . 25500 2 113 . 2 1 28 28 LEU C C 13 176.845 . . 1 . . . . 28 LEU C . 25500 2 114 . 2 1 28 28 LEU CA C 13 55.348 . . 1 . . . . 28 LEU CA . 25500 2 115 . 2 1 28 28 LEU CB C 13 42.411 . . 1 . . . . 28 LEU CB . 25500 2 116 . 2 1 28 28 LEU N N 15 125.003 . . 1 . . . . 28 LEU N . 25500 2 117 . 2 1 29 29 ASN H H 1 8.353 . . 1 . . . . 29 ASN H . 25500 2 118 . 2 1 29 29 ASN C C 13 175.174 . . 1 . . . . 29 ASN C . 25500 2 119 . 2 1 29 29 ASN CA C 13 53.941 . . 1 . . . . 29 ASN CA . 25500 2 120 . 2 1 29 29 ASN CB C 13 38.775 . . 1 . . . . 29 ASN CB . 25500 2 121 . 2 1 29 29 ASN N N 15 118.919 . . 1 . . . . 29 ASN N . 25500 2 122 . 2 1 30 30 MET H H 1 8.319 . . 1 . . . . 30 MET H . 25500 2 123 . 2 1 30 30 MET C C 13 176.341 . . 1 . . . . 30 MET C . 25500 2 124 . 2 1 30 30 MET CA C 13 55.880 . . 1 . . . . 30 MET CA . 25500 2 125 . 2 1 30 30 MET CB C 13 32.649 . . 1 . . . . 30 MET CB . 25500 2 126 . 2 1 30 30 MET N N 15 120.785 . . 1 . . . . 30 MET N . 25500 2 127 . 2 1 31 31 GLU H H 1 8.413 . . 1 . . . . 31 GLU H . 25500 2 128 . 2 1 31 31 GLU CA C 13 56.734 . . 1 . . . . 31 GLU CA . 25500 2 129 . 2 1 31 31 GLU CB C 13 30.217 . . 1 . . . . 31 GLU CB . 25500 2 130 . 2 1 31 31 GLU N N 15 120.789 . . 1 . . . . 31 GLU N . 25500 2 131 . 2 1 33 33 ASP C C 13 176.871 . . 1 . . . . 33 ASP C . 25500 2 132 . 2 1 33 33 ASP CA C 13 54.395 . . 1 . . . . 33 ASP CA . 25500 2 133 . 2 1 33 33 ASP CB C 13 41.107 . . 1 . . . . 33 ASP CB . 25500 2 134 . 2 1 34 34 SER H H 1 8.344 . . 1 . . . . 34 SER H . 25500 2 135 . 2 1 34 34 SER C C 13 174.941 . . 1 . . . . 34 SER C . 25500 2 136 . 2 1 34 34 SER CA C 13 59.640 . . 1 . . . . 34 SER CA . 25500 2 137 . 2 1 34 34 SER CB C 13 63.551 . . 1 . . . . 34 SER CB . 25500 2 138 . 2 1 34 34 SER N N 15 116.341 . . 1 . . . . 34 SER N . 25500 2 139 . 2 1 35 35 ASN H H 1 8.362 . . 1 . . . . 35 ASN H . 25500 2 140 . 2 1 35 35 ASN C C 13 175.368 . . 1 . . . . 35 ASN C . 25500 2 141 . 2 1 35 35 ASN CA C 13 53.794 . . 1 . . . . 35 ASN CA . 25500 2 142 . 2 1 35 35 ASN CB C 13 38.788 . . 1 . . . . 35 ASN CB . 25500 2 143 . 2 1 35 35 ASN N N 15 119.879 . . 1 . . . . 35 ASN N . 25500 2 144 . 2 1 36 36 TRP H H 1 7.867 . . 1 . . . . 36 TRP H . 25500 2 145 . 2 1 36 36 TRP C C 13 176.055 . . 1 . . . . 36 TRP C . 25500 2 146 . 2 1 36 36 TRP CA C 13 57.739 . . 1 . . . . 36 TRP CA . 25500 2 147 . 2 1 36 36 TRP CB C 13 29.463 . . 1 . . . . 36 TRP CB . 25500 2 148 . 2 1 36 36 TRP N N 15 120.693 . . 1 . . . . 36 TRP N . 25500 2 149 . 2 1 37 37 TYR H H 1 7.759 . . 1 . . . . 37 TYR H . 25500 2 150 . 2 1 37 37 TYR C C 13 175.484 . . 1 . . . . 37 TYR C . 25500 2 151 . 2 1 37 37 TYR CA C 13 58.437 . . 1 . . . . 37 TYR CA . 25500 2 152 . 2 1 37 37 TYR CB C 13 38.158 . . 1 . . . . 37 TYR CB . 25500 2 153 . 2 1 37 37 TYR N N 15 120.779 . . 1 . . . . 37 TYR N . 25500 2 154 . 2 1 38 38 ARG H H 1 7.763 . . 1 . . . . 38 ARG H . 25500 2 155 . 2 1 38 38 ARG C C 13 175.705 . . 1 . . . . 38 ARG C . 25500 2 156 . 2 1 38 38 ARG CA C 13 55.916 . . 1 . . . . 38 ARG CA . 25500 2 157 . 2 1 38 38 ARG CB C 13 30.782 . . 1 . . . . 38 ARG CB . 25500 2 158 . 2 1 38 38 ARG N N 15 122.858 . . 1 . . . . 38 ARG N . 25500 2 159 . 2 1 39 39 ALA H H 1 8.131 . . 1 . . . . 39 ALA H . 25500 2 160 . 2 1 39 39 ALA C C 13 178.068 . . 1 . . . . 39 ALA C . 25500 2 161 . 2 1 39 39 ALA CA C 13 53.280 . . 1 . . . . 39 ALA CA . 25500 2 162 . 2 1 39 39 ALA CB C 13 19.219 . . 1 . . . . 39 ALA CB . 25500 2 163 . 2 1 39 39 ALA N N 15 125.059 . . 1 . . . . 39 ALA N . 25500 2 164 . 2 1 40 40 GLU H H 1 8.414 . . 1 . . . . 40 GLU H . 25500 2 165 . 2 1 40 40 GLU C C 13 176.805 . . 1 . . . . 40 GLU C . 25500 2 166 . 2 1 40 40 GLU CA C 13 56.908 . . 1 . . . . 40 GLU CA . 25500 2 167 . 2 1 40 40 GLU CB C 13 29.948 . . 1 . . . . 40 GLU CB . 25500 2 168 . 2 1 40 40 GLU N N 15 119.282 . . 1 . . . . 40 GLU N . 25500 2 169 . 2 1 41 41 LEU H H 1 8.082 . . 1 . . . . 41 LEU H . 25500 2 170 . 2 1 41 41 LEU CA C 13 55.383 . . 1 . . . . 41 LEU CA . 25500 2 171 . 2 1 41 41 LEU CB C 13 42.286 . . 1 . . . . 41 LEU CB . 25500 2 172 . 2 1 41 41 LEU N N 15 121.974 . . 1 . . . . 41 LEU N . 25500 2 173 . 2 1 42 42 ASP C C 13 176.962 . . 1 . . . . 42 ASP C . 25500 2 174 . 2 1 42 42 ASP CA C 13 54.656 . . 1 . . . . 42 ASP CA . 25500 2 175 . 2 1 42 42 ASP CB C 13 41.297 . . 1 . . . . 42 ASP CB . 25500 2 176 . 2 1 43 43 GLY H H 1 8.347 . . 1 . . . . 43 GLY H . 25500 2 177 . 2 1 43 43 GLY C C 13 174.700 . . 1 . . . . 43 GLY C . 25500 2 178 . 2 1 43 43 GLY CA C 13 45.771 . . 1 . . . . 43 GLY CA . 25500 2 179 . 2 1 43 43 GLY N N 15 109.332 . . 1 . . . . 43 GLY N . 25500 2 180 . 2 1 44 44 LYS H H 1 8.135 . . 1 . . . . 44 LYS H . 25500 2 181 . 2 1 44 44 LYS C C 13 176.819 . . 1 . . . . 44 LYS C . 25500 2 182 . 2 1 44 44 LYS CA C 13 56.469 . . 1 . . . . 44 LYS CA . 25500 2 183 . 2 1 44 44 LYS CB C 13 32.919 . . 1 . . . . 44 LYS CB . 25500 2 184 . 2 1 44 44 LYS N N 15 120.462 . . 1 . . . . 44 LYS N . 25500 2 185 . 2 1 45 45 GLU H H 1 8.532 . . 1 . . . . 45 GLU H . 25500 2 186 . 2 1 45 45 GLU C C 13 176.962 . . 1 . . . . 45 GLU C . 25500 2 187 . 2 1 45 45 GLU CA C 13 57.157 . . 1 . . . . 45 GLU CA . 25500 2 188 . 2 1 45 45 GLU CB C 13 30.040 . . 1 . . . . 45 GLU CB . 25500 2 189 . 2 1 45 45 GLU N N 15 121.234 . . 1 . . . . 45 GLU N . 25500 2 190 . 2 1 46 46 GLY H H 1 8.375 . . 1 . . . . 46 GLY H . 25500 2 191 . 2 1 46 46 GLY C C 13 173.856 . . 1 . . . . 46 GLY C . 25500 2 192 . 2 1 46 46 GLY CA C 13 45.343 . . 1 . . . . 46 GLY CA . 25500 2 193 . 2 1 46 46 GLY N N 15 109.426 . . 1 . . . . 46 GLY N . 25500 2 194 . 2 1 47 47 LEU H H 1 7.977 . . 1 . . . . 47 LEU H . 25500 2 195 . 2 1 47 47 LEU C C 13 177.041 . . 1 . . . . 47 LEU C . 25500 2 196 . 2 1 47 47 LEU CA C 13 55.082 . . 1 . . . . 47 LEU CA . 25500 2 197 . 2 1 47 47 LEU CB C 13 42.438 . . 1 . . . . 47 LEU CB . 25500 2 198 . 2 1 47 47 LEU N N 15 121.348 . . 1 . . . . 47 LEU N . 25500 2 199 . 2 1 48 48 ILE H H 1 8.160 . . 1 . . . . 48 ILE H . 25500 2 200 . 2 1 48 48 ILE CA C 13 58.450 . . 1 . . . . 48 ILE CA . 25500 2 201 . 2 1 48 48 ILE CB C 13 38.634 . . 1 . . . . 48 ILE CB . 25500 2 202 . 2 1 48 48 ILE N N 15 123.355 . . 1 . . . . 48 ILE N . 25500 2 203 . 2 1 49 49 PRO C C 13 177.069 . . 1 . . . . 49 PRO C . 25500 2 204 . 2 1 49 49 PRO CA C 13 63.274 . . 1 . . . . 49 PRO CA . 25500 2 205 . 2 1 49 49 PRO CB C 13 32.215 . . 1 . . . . 49 PRO CB . 25500 2 206 . 2 1 50 50 SER H H 1 8.417 . . 1 . . . . 50 SER H . 25500 2 207 . 2 1 50 50 SER C C 13 176.070 . . 1 . . . . 50 SER C . 25500 2 208 . 2 1 50 50 SER CA C 13 59.165 . . 1 . . . . 50 SER CA . 25500 2 209 . 2 1 50 50 SER CB C 13 63.365 . . 1 . . . . 50 SER CB . 25500 2 210 . 2 1 50 50 SER N N 15 115.893 . . 1 . . . . 50 SER N . 25500 2 211 . 2 1 51 51 ASN H H 1 8.399 . . 1 . . . . 51 ASN H . 25500 2 212 . 2 1 51 51 ASN C C 13 174.771 . . 1 . . . . 51 ASN C . 25500 2 213 . 2 1 51 51 ASN CA C 13 53.161 . . 1 . . . . 51 ASN CA . 25500 2 214 . 2 1 51 51 ASN CB C 13 38.629 . . 1 . . . . 51 ASN CB . 25500 2 215 . 2 1 51 51 ASN N N 15 119.702 . . 1 . . . . 51 ASN N . 25500 2 216 . 2 1 52 52 TYR H H 1 8.031 . . 1 . . . . 52 TYR H . 25500 2 217 . 2 1 52 52 TYR C C 13 175.454 . . 1 . . . . 52 TYR C . 25500 2 218 . 2 1 52 52 TYR CA C 13 58.506 . . 1 . . . . 52 TYR CA . 25500 2 219 . 2 1 52 52 TYR CB C 13 38.730 . . 1 . . . . 52 TYR CB . 25500 2 220 . 2 1 52 52 TYR N N 15 120.601 . . 1 . . . . 52 TYR N . 25500 2 221 . 2 1 53 53 ILE H H 1 7.827 . . 1 . . . . 53 ILE H . 25500 2 222 . 2 1 53 53 ILE C C 13 175.546 . . 1 . . . . 53 ILE C . 25500 2 223 . 2 1 53 53 ILE CA C 13 60.899 . . 1 . . . . 53 ILE CA . 25500 2 224 . 2 1 53 53 ILE N N 15 123.317 . . 1 . . . . 53 ILE N . 25500 2 225 . 2 1 54 54 GLU H H 1 8.272 . . 1 . . . . 54 GLU H . 25500 2 226 . 2 1 54 54 GLU C C 13 176.295 . . 1 . . . . 54 GLU C . 25500 2 227 . 2 1 54 54 GLU CA C 13 56.561 . . 1 . . . . 54 GLU CA . 25500 2 228 . 2 1 54 54 GLU CB C 13 30.389 . . 1 . . . . 54 GLU CB . 25500 2 229 . 2 1 54 54 GLU N N 15 124.622 . . 1 . . . . 54 GLU N . 25500 2 230 . 2 1 55 55 MET H H 1 8.318 . . 1 . . . . 55 MET H . 25500 2 231 . 2 1 55 55 MET CA C 13 55.758 . . 1 . . . . 55 MET CA . 25500 2 232 . 2 1 55 55 MET CB C 13 32.724 . . 1 . . . . 55 MET CB . 25500 2 233 . 2 1 55 55 MET N N 15 122.526 . . 1 . . . . 55 MET N . 25500 2 234 . 2 1 56 56 LYS H H 1 8.300 . . 1 . . . . 56 LYS H . 25500 2 235 . 2 1 56 56 LYS CA C 13 56.253 . . 1 . . . . 56 LYS CA . 25500 2 236 . 2 1 56 56 LYS CB C 13 33.044 . . 1 . . . . 56 LYS CB . 25500 2 237 . 2 1 56 56 LYS N N 15 122.558 . . 1 . . . . 56 LYS N . 25500 2 stop_ save_ save_assigned_chem_shift_list_drkN_SH3_bound_new_resonances_in_the_presence_of_DnaK _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_drkN_SH3_bound_new_resonances_in_the_presence_of_DnaK _Assigned_chem_shift_list.Entry_ID 25500 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC 1' . . . 25500 3 2 '3D CBCA(CO)NH 1' . . . 25500 3 3 '3D HNCACB 1' . . . 25500 3 4 '3D HNCO 1' . . . 25500 3 5 '3D (HCA)CO(CA)NH 1' . . . 25500 3 6 '2D 1H-15N HSQC 2' . . . 25500 3 7 '3D CBCA(CO)NH 2' . . . 25500 3 8 '3D HNCACB 2' . . . 25500 3 9 '3D HNCO 2' . . . 25500 3 10 '3D (HCA)CO(CA)NH 2' . . . 25500 3 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 12 12 THR H H 1 8.109 . . 1 . . . . 12 THR H . 25500 3 2 . 1 1 12 12 THR N N 15 112.954 . . 1 . . . . 12 THR N . 25500 3 3 . 1 1 12 12 THR H H 1 8.129 . . 1 . . . . 12 THR H . 25500 3 4 . 1 1 12 12 THR N N 15 113.217 . . 1 . . . . 12 THR N . 25500 3 5 . 1 1 12 12 THR H H 1 8.130 . . 1 . . . . 12 THR H . 25500 3 6 . 1 1 12 12 THR N N 15 113.381 . . 1 . . . . 12 THR N . 25500 3 7 . 1 1 13 13 ALA H H 1 8.334 . . 1 . . . . 13 ALA H . 25500 3 8 . 1 1 13 13 ALA N N 15 126.414 . . 1 . . . . 13 ALA N . 25500 3 9 . 1 1 13 13 ALA H H 1 8.246 . . 1 . . . . 13 ALA H . 25500 3 10 . 1 1 13 13 ALA N N 15 126.394 . . 1 . . . . 13 ALA N . 25500 3 11 . 1 1 13 13 ALA H H 1 8.294 . . 1 . . . . 13 ALA H . 25500 3 12 . 1 1 13 13 ALA N N 15 126.393 . . 1 . . . . 13 ALA N . 25500 3 13 . 1 1 18 18 SER H H 1 8.050 . . 1 . . . . 18 SER H . 25500 3 14 . 1 1 18 18 SER CA C 13 59.750 . . 1 . . . . 18 SER CA . 25500 3 15 . 1 1 18 18 SER N N 15 115.176 . . 1 . . . . 18 SER N . 25500 3 16 . 1 1 28 28 LEU H H 1 8.229 . . 1 . . . . 28 LEU H . 25500 3 17 . 1 1 28 28 LEU N N 15 124.774 . . 1 . . . . 28 LEU N . 25500 3 18 . 1 1 34 34 SER H H 1 8.308 . . 1 . . . . 34 SER H . 25500 3 19 . 1 1 34 34 SER N N 15 116.222 . . 1 . . . . 34 SER N . 25500 3 20 . 1 1 36 36 TRP H H 1 7.852 . . 1 . . . . 36 TRP H . 25500 3 21 . 1 1 36 36 TRP N N 15 120.828 . . 1 . . . . 36 TRP N . 25500 3 22 . 1 1 37 37 TYR H H 1 7.710 . . 1 . . . . 37 TYR H . 25500 3 23 . 1 1 37 37 TYR CA C 13 58.170 . . 1 . . . . 37 TYR CA . 25500 3 24 . 1 1 37 37 TYR N N 15 120.547 . . 1 . . . . 37 TYR N . 25500 3 25 . 1 1 38 38 ARG H H 1 7.737 . . 1 . . . . 38 ARG H . 25500 3 26 . 1 1 38 38 ARG CA C 13 58.310 . . 1 . . . . 38 ARG CA . 25500 3 27 . 1 1 38 38 ARG N N 15 122.726 . . 1 . . . . 38 ARG N . 25500 3 28 . 1 1 38 38 ARG H H 1 7.747 . . 1 . . . . 38 ARG H . 25500 3 29 . 1 1 38 38 ARG N N 15 123.005 . . 1 . . . . 38 ARG N . 25500 3 30 . 1 1 39 39 ALA H H 1 8.138 . . 1 . . . . 39 ALA H . 25500 3 31 . 1 1 39 39 ALA N N 15 125.260 . . 1 . . . . 39 ALA N . 25500 3 32 . 1 1 40 40 GLU H H 1 8.419 . . 1 . . . . 40 GLU H . 25500 3 33 . 1 1 40 40 GLU N N 15 119.465 . . 1 . . . . 40 GLU N . 25500 3 34 . 1 1 41 41 LEU H H 1 8.106 . . 1 . . . . 41 LEU H . 25500 3 35 . 1 1 41 41 LEU N N 15 122.169 . . 1 . . . . 41 LEU N . 25500 3 36 . 1 1 48 48 ILE H H 1 8.169 . . 1 . . . . 48 ILE H . 25500 3 37 . 1 1 48 48 ILE N N 15 123.514 . . 1 . . . . 48 ILE N . 25500 3 38 . 1 1 53 53 ILE H H 1 7.835 . . 1 . . . . 53 ILE H . 25500 3 39 . 1 1 53 53 ILE N N 15 123.480 . . 1 . . . . 53 ILE N . 25500 3 40 . 1 1 54 54 GLU H H 1 8.204 . . 1 . . . . 54 GLU H . 25500 3 41 . 1 1 54 54 GLU N N 15 124.490 . . 1 . . . . 54 GLU N . 25500 3 42 . 1 1 54 54 GLU H H 1 8.227 . . 1 . . . . 54 GLU H . 25500 3 43 . 1 1 54 54 GLU N N 15 124.618 . . 1 . . . . 54 GLU N . 25500 3 stop_ save_