data_34093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34093 _Entry.Title ; Solution structure of C20S variant of Dehydroascorbate reductase 3A from Populus trichocarpa in complex with dehydroascorbic acid. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-26 _Entry.Accession_date 2017-01-26 _Entry.Last_release_date 2017-03-15 _Entry.Original_release_date 2017-03-15 _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 T. Roret T. . . . 34093 2 P. Tsan P. . . . 34093 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Glutathione transferase Dehydroascorbate reductase Plant' . 34093 Oxidoreductase . 34093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 34093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 374 34093 '1H chemical shifts' 374 34093 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-03-16 . original BMRB . 34093 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5MYE 'BMRB Entry Tracking System' 34093 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34093 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1042/BJ20151147 _Citation.PubMed_ID 26699905 _Citation.Full_citation . _Citation.Title ; Insights into ascorbate regeneration in plants: investigating the redox and structural properties of dehydroascorbate reductases from Populus trichocarpa. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 473 _Citation.Journal_issue 6 _Citation.Journal_ASTM BIJOAK _Citation.Journal_ISSN 1470-8728 _Citation.Journal_CSD 0043 _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 717 _Citation.Page_last 731 _Citation.Year 2016 _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 P. Lallement P. A. . . 34093 1 2 T. Roret T. . . . 34093 1 3 P. Tsan P. . . . 34093 1 4 J. Gualberto J. M. . . 34093 1 5 J. Girardet J. M. . . 34093 1 6 C. Didierjean C. . . . 34093 1 7 N. Rouhier N. . . . 34093 1 8 A. Hecker A. . . . 34093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34093 _Assembly.ID 1 _Assembly.Name 'Dehydroascorbate reductase family protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34093 1 2 entity_2 2 $entity_UU3 B A no . . . . . . 34093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MALEICVKAAVGAPNILGDS PFCQRVLLSLEEKKIPYKSH LINLGDKPQWFLEISPEGKV PVVKIDDKWVADSDVIVGIL EEKNPEPPLATPPEFASVGS KIFPSFVKFLKSKDPNDGTE QALLEELKALDGHLKVHGPF IAGEKITAVDLSLAPKLYHL EVALGHFKNWPIPDNLTHVL NYIKLLFSRESFKKTRAAEE HVIAGWEPKVNAHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 218 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C20S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24348.131 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'dehydroascorbate reductase 3A' na 34093 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34093 1 2 . ALA . 34093 1 3 . LEU . 34093 1 4 . GLU . 34093 1 5 . ILE . 34093 1 6 . CYS . 34093 1 7 . VAL . 34093 1 8 . LYS . 34093 1 9 . ALA . 34093 1 10 . ALA . 34093 1 11 . VAL . 34093 1 12 . GLY . 34093 1 13 . ALA . 34093 1 14 . PRO . 34093 1 15 . ASN . 34093 1 16 . ILE . 34093 1 17 . LEU . 34093 1 18 . GLY . 34093 1 19 . ASP . 34093 1 20 . SER . 34093 1 21 . PRO . 34093 1 22 . PHE . 34093 1 23 . CYS . 34093 1 24 . GLN . 34093 1 25 . ARG . 34093 1 26 . VAL . 34093 1 27 . LEU . 34093 1 28 . LEU . 34093 1 29 . SER . 34093 1 30 . LEU . 34093 1 31 . GLU . 34093 1 32 . GLU . 34093 1 33 . LYS . 34093 1 34 . LYS . 34093 1 35 . ILE . 34093 1 36 . PRO . 34093 1 37 . TYR . 34093 1 38 . LYS . 34093 1 39 . SER . 34093 1 40 . HIS . 34093 1 41 . LEU . 34093 1 42 . ILE . 34093 1 43 . ASN . 34093 1 44 . LEU . 34093 1 45 . GLY . 34093 1 46 . ASP . 34093 1 47 . LYS . 34093 1 48 . PRO . 34093 1 49 . GLN . 34093 1 50 . TRP . 34093 1 51 . PHE . 34093 1 52 . LEU . 34093 1 53 . GLU . 34093 1 54 . ILE . 34093 1 55 . SER . 34093 1 56 . PRO . 34093 1 57 . GLU . 34093 1 58 . GLY . 34093 1 59 . LYS . 34093 1 60 . VAL . 34093 1 61 . PRO . 34093 1 62 . VAL . 34093 1 63 . VAL . 34093 1 64 . LYS . 34093 1 65 . ILE . 34093 1 66 . ASP . 34093 1 67 . ASP . 34093 1 68 . LYS . 34093 1 69 . TRP . 34093 1 70 . VAL . 34093 1 71 . ALA . 34093 1 72 . ASP . 34093 1 73 . SER . 34093 1 74 . ASP . 34093 1 75 . VAL . 34093 1 76 . ILE . 34093 1 77 . VAL . 34093 1 78 . GLY . 34093 1 79 . ILE . 34093 1 80 . LEU . 34093 1 81 . GLU . 34093 1 82 . GLU . 34093 1 83 . LYS . 34093 1 84 . ASN . 34093 1 85 . PRO . 34093 1 86 . GLU . 34093 1 87 . PRO . 34093 1 88 . PRO . 34093 1 89 . LEU . 34093 1 90 . ALA . 34093 1 91 . THR . 34093 1 92 . PRO . 34093 1 93 . PRO . 34093 1 94 . GLU . 34093 1 95 . PHE . 34093 1 96 . ALA . 34093 1 97 . SER . 34093 1 98 . VAL . 34093 1 99 . GLY . 34093 1 100 . SER . 34093 1 101 . LYS . 34093 1 102 . ILE . 34093 1 103 . PHE . 34093 1 104 . PRO . 34093 1 105 . SER . 34093 1 106 . PHE . 34093 1 107 . VAL . 34093 1 108 . LYS . 34093 1 109 . PHE . 34093 1 110 . LEU . 34093 1 111 . LYS . 34093 1 112 . SER . 34093 1 113 . LYS . 34093 1 114 . ASP . 34093 1 115 . PRO . 34093 1 116 . ASN . 34093 1 117 . ASP . 34093 1 118 . GLY . 34093 1 119 . THR . 34093 1 120 . GLU . 34093 1 121 . GLN . 34093 1 122 . ALA . 34093 1 123 . LEU . 34093 1 124 . LEU . 34093 1 125 . GLU . 34093 1 126 . GLU . 34093 1 127 . LEU . 34093 1 128 . LYS . 34093 1 129 . ALA . 34093 1 130 . LEU . 34093 1 131 . ASP . 34093 1 132 . GLY . 34093 1 133 . HIS . 34093 1 134 . LEU . 34093 1 135 . LYS . 34093 1 136 . VAL . 34093 1 137 . HIS . 34093 1 138 . GLY . 34093 1 139 . PRO . 34093 1 140 . PHE . 34093 1 141 . ILE . 34093 1 142 . ALA . 34093 1 143 . GLY . 34093 1 144 . GLU . 34093 1 145 . LYS . 34093 1 146 . ILE . 34093 1 147 . THR . 34093 1 148 . ALA . 34093 1 149 . VAL . 34093 1 150 . ASP . 34093 1 151 . LEU . 34093 1 152 . SER . 34093 1 153 . LEU . 34093 1 154 . ALA . 34093 1 155 . PRO . 34093 1 156 . LYS . 34093 1 157 . LEU . 34093 1 158 . TYR . 34093 1 159 . HIS . 34093 1 160 . LEU . 34093 1 161 . GLU . 34093 1 162 . VAL . 34093 1 163 . ALA . 34093 1 164 . LEU . 34093 1 165 . GLY . 34093 1 166 . HIS . 34093 1 167 . PHE . 34093 1 168 . LYS . 34093 1 169 . ASN . 34093 1 170 . TRP . 34093 1 171 . PRO . 34093 1 172 . ILE . 34093 1 173 . PRO . 34093 1 174 . ASP . 34093 1 175 . ASN . 34093 1 176 . LEU . 34093 1 177 . THR . 34093 1 178 . HIS . 34093 1 179 . VAL . 34093 1 180 . LEU . 34093 1 181 . ASN . 34093 1 182 . TYR . 34093 1 183 . ILE . 34093 1 184 . LYS . 34093 1 185 . LEU . 34093 1 186 . LEU . 34093 1 187 . PHE . 34093 1 188 . SER . 34093 1 189 . ARG . 34093 1 190 . GLU . 34093 1 191 . SER . 34093 1 192 . PHE . 34093 1 193 . LYS . 34093 1 194 . LYS . 34093 1 195 . THR . 34093 1 196 . ARG . 34093 1 197 . ALA . 34093 1 198 . ALA . 34093 1 199 . GLU . 34093 1 200 . GLU . 34093 1 201 . HIS . 34093 1 202 . VAL . 34093 1 203 . ILE . 34093 1 204 . ALA . 34093 1 205 . GLY . 34093 1 206 . TRP . 34093 1 207 . GLU . 34093 1 208 . PRO . 34093 1 209 . LYS . 34093 1 210 . VAL . 34093 1 211 . ASN . 34093 1 212 . ALA . 34093 1 213 . HIS . 34093 1 214 . HIS . 34093 1 215 . HIS . 34093 1 216 . HIS . 34093 1 217 . HIS . 34093 1 218 . HIS . 34093 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 34093 1 . ALA 2 2 34093 1 . LEU 3 3 34093 1 . GLU 4 4 34093 1 . ILE 5 5 34093 1 . CYS 6 6 34093 1 . VAL 7 7 34093 1 . LYS 8 8 34093 1 . ALA 9 9 34093 1 . ALA 10 10 34093 1 . VAL 11 11 34093 1 . GLY 12 12 34093 1 . ALA 13 13 34093 1 . PRO 14 14 34093 1 . ASN 15 15 34093 1 . ILE 16 16 34093 1 . LEU 17 17 34093 1 . GLY 18 18 34093 1 . ASP 19 19 34093 1 . SER 20 20 34093 1 . PRO 21 21 34093 1 . PHE 22 22 34093 1 . CYS 23 23 34093 1 . GLN 24 24 34093 1 . ARG 25 25 34093 1 . VAL 26 26 34093 1 . LEU 27 27 34093 1 . LEU 28 28 34093 1 . SER 29 29 34093 1 . LEU 30 30 34093 1 . GLU 31 31 34093 1 . GLU 32 32 34093 1 . LYS 33 33 34093 1 . LYS 34 34 34093 1 . ILE 35 35 34093 1 . PRO 36 36 34093 1 . TYR 37 37 34093 1 . LYS 38 38 34093 1 . SER 39 39 34093 1 . HIS 40 40 34093 1 . LEU 41 41 34093 1 . ILE 42 42 34093 1 . ASN 43 43 34093 1 . LEU 44 44 34093 1 . GLY 45 45 34093 1 . ASP 46 46 34093 1 . LYS 47 47 34093 1 . PRO 48 48 34093 1 . GLN 49 49 34093 1 . TRP 50 50 34093 1 . PHE 51 51 34093 1 . LEU 52 52 34093 1 . GLU 53 53 34093 1 . ILE 54 54 34093 1 . SER 55 55 34093 1 . PRO 56 56 34093 1 . GLU 57 57 34093 1 . GLY 58 58 34093 1 . LYS 59 59 34093 1 . VAL 60 60 34093 1 . PRO 61 61 34093 1 . VAL 62 62 34093 1 . VAL 63 63 34093 1 . LYS 64 64 34093 1 . ILE 65 65 34093 1 . ASP 66 66 34093 1 . ASP 67 67 34093 1 . LYS 68 68 34093 1 . TRP 69 69 34093 1 . VAL 70 70 34093 1 . ALA 71 71 34093 1 . ASP 72 72 34093 1 . SER 73 73 34093 1 . ASP 74 74 34093 1 . VAL 75 75 34093 1 . ILE 76 76 34093 1 . VAL 77 77 34093 1 . GLY 78 78 34093 1 . ILE 79 79 34093 1 . LEU 80 80 34093 1 . GLU 81 81 34093 1 . GLU 82 82 34093 1 . LYS 83 83 34093 1 . ASN 84 84 34093 1 . PRO 85 85 34093 1 . GLU 86 86 34093 1 . PRO 87 87 34093 1 . PRO 88 88 34093 1 . LEU 89 89 34093 1 . ALA 90 90 34093 1 . THR 91 91 34093 1 . PRO 92 92 34093 1 . PRO 93 93 34093 1 . GLU 94 94 34093 1 . PHE 95 95 34093 1 . ALA 96 96 34093 1 . SER 97 97 34093 1 . VAL 98 98 34093 1 . GLY 99 99 34093 1 . SER 100 100 34093 1 . LYS 101 101 34093 1 . ILE 102 102 34093 1 . PHE 103 103 34093 1 . PRO 104 104 34093 1 . SER 105 105 34093 1 . PHE 106 106 34093 1 . VAL 107 107 34093 1 . LYS 108 108 34093 1 . PHE 109 109 34093 1 . LEU 110 110 34093 1 . LYS 111 111 34093 1 . SER 112 112 34093 1 . LYS 113 113 34093 1 . ASP 114 114 34093 1 . PRO 115 115 34093 1 . ASN 116 116 34093 1 . ASP 117 117 34093 1 . GLY 118 118 34093 1 . THR 119 119 34093 1 . GLU 120 120 34093 1 . GLN 121 121 34093 1 . ALA 122 122 34093 1 . LEU 123 123 34093 1 . LEU 124 124 34093 1 . GLU 125 125 34093 1 . GLU 126 126 34093 1 . LEU 127 127 34093 1 . LYS 128 128 34093 1 . ALA 129 129 34093 1 . LEU 130 130 34093 1 . ASP 131 131 34093 1 . GLY 132 132 34093 1 . HIS 133 133 34093 1 . LEU 134 134 34093 1 . LYS 135 135 34093 1 . VAL 136 136 34093 1 . HIS 137 137 34093 1 . GLY 138 138 34093 1 . PRO 139 139 34093 1 . PHE 140 140 34093 1 . ILE 141 141 34093 1 . ALA 142 142 34093 1 . GLY 143 143 34093 1 . GLU 144 144 34093 1 . LYS 145 145 34093 1 . ILE 146 146 34093 1 . THR 147 147 34093 1 . ALA 148 148 34093 1 . VAL 149 149 34093 1 . ASP 150 150 34093 1 . LEU 151 151 34093 1 . SER 152 152 34093 1 . LEU 153 153 34093 1 . ALA 154 154 34093 1 . PRO 155 155 34093 1 . LYS 156 156 34093 1 . LEU 157 157 34093 1 . TYR 158 158 34093 1 . HIS 159 159 34093 1 . LEU 160 160 34093 1 . GLU 161 161 34093 1 . VAL 162 162 34093 1 . ALA 163 163 34093 1 . LEU 164 164 34093 1 . GLY 165 165 34093 1 . HIS 166 166 34093 1 . PHE 167 167 34093 1 . LYS 168 168 34093 1 . ASN 169 169 34093 1 . TRP 170 170 34093 1 . PRO 171 171 34093 1 . ILE 172 172 34093 1 . PRO 173 173 34093 1 . ASP 174 174 34093 1 . ASN 175 175 34093 1 . LEU 176 176 34093 1 . THR 177 177 34093 1 . HIS 178 178 34093 1 . VAL 179 179 34093 1 . LEU 180 180 34093 1 . ASN 181 181 34093 1 . TYR 182 182 34093 1 . ILE 183 183 34093 1 . LYS 184 184 34093 1 . LEU 185 185 34093 1 . LEU 186 186 34093 1 . PHE 187 187 34093 1 . SER 188 188 34093 1 . ARG 189 189 34093 1 . GLU 190 190 34093 1 . SER 191 191 34093 1 . PHE 192 192 34093 1 . LYS 193 193 34093 1 . LYS 194 194 34093 1 . THR 195 195 34093 1 . ARG 196 196 34093 1 . ALA 197 197 34093 1 . ALA 198 198 34093 1 . GLU 199 199 34093 1 . GLU 200 200 34093 1 . HIS 201 201 34093 1 . VAL 202 202 34093 1 . ILE 203 203 34093 1 . ALA 204 204 34093 1 . GLY 205 205 34093 1 . TRP 206 206 34093 1 . GLU 207 207 34093 1 . PRO 208 208 34093 1 . LYS 209 209 34093 1 . VAL 210 210 34093 1 . ASN 211 211 34093 1 . ALA 212 212 34093 1 . HIS 213 213 34093 1 . HIS 214 214 34093 1 . HIS 215 215 34093 1 . HIS 216 216 34093 1 . HIS 217 217 34093 1 . HIS 218 218 34093 1 stop_ save_ save_entity_UU3 _Entity.Sf_category entity _Entity.Sf_framecode entity_UU3 _Entity.Entry_ID 34093 _Entity.ID 2 _Entity.BMRB_code UU3 _Entity.Name entity_UU3 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID UU3 _Entity.Nonpolymer_comp_label $chem_comp_UU3 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 174.108 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione BMRB 34093 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione BMRB 34093 2 UU3 'Three letter code' 34093 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 UU3 $chem_comp_UU3 34093 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 34093 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3694 organism . 'Populus trichocarpa' 'Black cottonwood' . . Eukaryota Viridiplantae Populus trichocarpa . . . . . . . . . . . POPTR_0008s04920g . 34093 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 34093 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34093 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_UU3 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_UU3 _Chem_comp.Entry_ID 34093 _Chem_comp.ID UU3 _Chem_comp.Provenance PDB _Chem_comp.Name (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code UU3 _Chem_comp.PDB_code UU3 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-12-12 _Chem_comp.Modified_date 2014-12-12 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code UU3 _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'Dehydroascorbic Acid; DHA' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H6 O6' _Chem_comp.Formula_weight 174.108 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 4WIX _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C(C1C(=O)C(=O)C(=O)O1)O)O SMILES 'OpenEye OEToolkits' 1.7.6 34093 UU3 C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 34093 UU3 InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 InChI InChI 1.03 34093 UU3 O=C1C(=O)OC(C1=O)C(O)CO SMILES ACDLabs 12.01 34093 UU3 OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O SMILES_CANONICAL CACTVS 3.385 34093 UU3 OC[CH](O)[CH]1OC(=O)C(=O)C1=O SMILES CACTVS 3.385 34093 UU3 SBJKKFFYIZUCET-JLAZNSOCSA-N InChIKey InChI 1.03 34093 UU3 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 34093 UU3 '(5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione (non-preferred name)' 'SYSTEMATIC NAME' ACDLabs 12.01 34093 UU3 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C01 C01 C01 C1 . C . . N 0 . . . 1 no no . . . . -11.497 . 17.151 . -11.272 . 2.609 0.518 0.418 1 . 34093 UU3 C02 C02 C02 C2 . C . . S 0 . . . 1 no no . . . . -12.800 . 17.145 . -10.537 . 1.534 -0.496 0.021 2 . 34093 UU3 C03 C03 C03 C3 . C . . R 0 . . . 1 no no . . . . -13.754 . 16.103 . -11.027 . 0.265 -0.241 0.837 3 . 34093 UU3 C04 C04 C04 C4 . C . . N 0 . . . 1 no no . . . . -13.284 . 15.311 . -12.180 . -0.845 -1.151 0.361 4 . 34093 UU3 O05 O05 O05 O1 . O . . N 0 . . . 1 no no . . . . -12.725 . 14.220 . -12.161 . -0.859 -2.359 0.361 5 . 34093 UU3 C06 C06 C06 C5 . C . . N 0 . . . 1 no no . . . . -13.625 . 16.109 . -13.323 . -1.922 -0.228 -0.108 6 . 34093 UU3 O07 O07 O07 O2 . O . . N 0 . . . 1 no no . . . . -13.030 . 16.189 . -14.388 . -2.993 -0.540 -0.571 7 . 34093 UU3 C08 C08 C08 C6 . C . . N 0 . . . 1 no no . . . . -14.812 . 16.853 . -12.926 . -1.411 1.157 0.107 8 . 34093 UU3 O09 O09 O09 O3 . O . . N 0 . . . 1 no no . . . . -15.469 . 17.578 . -13.655 . -2.021 2.170 -0.161 9 . 34093 UU3 O10 O10 O10 O4 . O . . N 0 . . . 1 no no . . . . -14.946 . 16.724 . -11.521 . -0.181 1.125 0.641 10 . 34093 UU3 O11 O11 O11 O5 . O . . N 0 . . . 1 no no . . . . -12.533 . 16.965 . -9.194 . 1.241 -0.360 -1.371 11 . 34093 UU3 O12 O12 O12 O6 . O . . N 0 . . . 1 no no . . . . -11.507 . 17.485 . -12.615 . 3.829 0.207 -0.257 12 . 34093 UU3 H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -11.071 . 16.140 . -11.190 . 2.283 1.520 0.139 13 . 34093 UU3 H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -10.838 . 17.869 . -10.762 . 2.769 0.475 1.495 14 . 34093 UU3 H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . -13.272 . 18.127 . -10.684 . 1.895 -1.505 0.219 15 . 34093 UU3 H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -14.002 . 15.425 . -10.197 . 0.462 -0.417 1.894 16 . 34093 UU3 H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -13.348 . 16.958 . -8.707 . 0.913 0.516 -1.620 17 . 34093 UU3 H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -12.107 . 16.914 . -13.079 . 4.556 0.811 -0.053 18 . 34093 UU3 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB O07 C06 no N 1 . 34093 UU3 2 . DOUB O09 C08 no N 2 . 34093 UU3 3 . SING C06 C08 no N 3 . 34093 UU3 4 . SING C06 C04 no N 4 . 34093 UU3 5 . SING C08 O10 no N 5 . 34093 UU3 6 . SING O12 C01 no N 6 . 34093 UU3 7 . DOUB C04 O05 no N 7 . 34093 UU3 8 . SING C04 C03 no N 8 . 34093 UU3 9 . SING O10 C03 no N 9 . 34093 UU3 10 . SING C01 C02 no N 10 . 34093 UU3 11 . SING C03 C02 no N 11 . 34093 UU3 12 . SING C02 O11 no N 12 . 34093 UU3 13 . SING C01 H1 no N 13 . 34093 UU3 14 . SING C01 H2 no N 14 . 34093 UU3 15 . SING C02 H3 no N 15 . 34093 UU3 16 . SING C03 H4 no N 16 . 34093 UU3 17 . SING O11 H5 no N 17 . 34093 UU3 18 . SING O12 H6 no N 18 . 34093 UU3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34093 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.37 mM [U-100% 15N] dehydroascorbate reductase 3A, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dehydroascorbate reductase 3A' '[U-100% 15N]' . . 1 $entity_1 . . 0.37 . . mM . . . . 34093 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34093 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.37 mM [U-100% 15N] dehydroascorbate reductase 3A, 47 mM Dehydroascorbic acid, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Dehydroascorbic acid' 'natural abundance' . . . . . . 47 . . mM . . . . 34093 2 2 'dehydroascorbate reductase 3A' '[U-100% 15N]' . . 1 $entity_1 . . 0.37 . . mM . . . . 34093 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34093 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34093 1 pH 8.0 . pH 34093 1 pressure 1 . atm 34093 1 temperature 298 . K 34093 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34093 _Software.ID 1 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34093 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34093 1 'peak picking' 34093 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34093 _Software.ID 2 _Software.Name 'PELE web server' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PELE . . 34093 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34093 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34093 _Software.ID 3 _Software.Name 'UCSF Chimera' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'UCSF Chimera' . . 34093 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34093 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34093 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 34093 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34093 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34093 _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 NMR_spectrometer_1 Bruker Avance . 600 . . . 34093 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 34093 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34093 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34093 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 34093 _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 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34093 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34093 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 $sample_1 . 34093 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 3 3 LEU H H 1 8.2 . . 1 . . . A 3 LEU H . 34093 1 2 . 1 1 3 3 LEU N N 15 121.88 . . 1 . . . A 3 LEU N . 34093 1 3 . 1 1 4 4 GLU H H 1 7.5 . . 1 . . . A 4 GLU H . 34093 1 4 . 1 1 4 4 GLU N N 15 122.4 . . 1 . . . A 4 GLU N . 34093 1 5 . 1 1 5 5 ILE H H 1 8.96 . . 1 . . . A 5 ILE H . 34093 1 6 . 1 1 5 5 ILE N N 15 118.89 . . 1 . . . A 5 ILE N . 34093 1 7 . 1 1 6 6 CYS H H 1 9.23 . . 1 . . . A 6 CYS H . 34093 1 8 . 1 1 6 6 CYS N N 15 124.45 . . 1 . . . A 6 CYS N . 34093 1 9 . 1 1 7 7 VAL H H 1 8.59 . . 1 . . . A 7 VAL H . 34093 1 10 . 1 1 7 7 VAL N N 15 113.05 . . 1 . . . A 7 VAL N . 34093 1 11 . 1 1 8 8 LYS H H 1 8.31 . . 1 . . . A 8 LYS H . 34093 1 12 . 1 1 8 8 LYS N N 15 118.18 . . 1 . . . A 8 LYS N . 34093 1 13 . 1 1 9 9 ALA H H 1 8.54 . . 1 . . . A 9 ALA H . 34093 1 14 . 1 1 9 9 ALA N N 15 131.48 . . 1 . . . A 9 ALA N . 34093 1 15 . 1 1 10 10 ALA H H 1 8.26 . . 1 . . . A 10 ALA H . 34093 1 16 . 1 1 10 10 ALA N N 15 123.92 . . 1 . . . A 10 ALA N . 34093 1 17 . 1 1 11 11 VAL H H 1 8.91 . . 1 . . . A 11 VAL H . 34093 1 18 . 1 1 11 11 VAL N N 15 127.21 . . 1 . . . A 11 VAL N . 34093 1 19 . 1 1 12 12 GLY H H 1 8.72 . . 1 . . . A 12 GLY H . 34093 1 20 . 1 1 12 12 GLY N N 15 115.4 . . 1 . . . A 12 GLY N . 34093 1 21 . 1 1 13 13 ALA H H 1 7.47 . . 1 . . . A 13 ALA H . 34093 1 22 . 1 1 13 13 ALA N N 15 122.88 . . 1 . . . A 13 ALA N . 34093 1 23 . 1 1 15 15 ASN H H 1 8.1 . . 1 . . . A 15 ASN H . 34093 1 24 . 1 1 15 15 ASN N N 15 113.05 . . 1 . . . A 15 ASN N . 34093 1 25 . 1 1 16 16 ILE H H 1 8.09 . . 1 . . . A 16 ILE H . 34093 1 26 . 1 1 16 16 ILE N N 15 123.24 . . 1 . . . A 16 ILE N . 34093 1 27 . 1 1 17 17 LEU H H 1 8.15 . . 1 . . . A 17 LEU H . 34093 1 28 . 1 1 17 17 LEU N N 15 127.32 . . 1 . . . A 17 LEU N . 34093 1 29 . 1 1 18 18 GLY H H 1 7.75 . . 1 . . . A 18 GLY H . 34093 1 30 . 1 1 18 18 GLY N N 15 111.45 . . 1 . . . A 18 GLY N . 34093 1 31 . 1 1 19 19 ASP H H 1 8.3 . . 1 . . . A 19 ASP H . 34093 1 32 . 1 1 19 19 ASP N N 15 111.54 . . 1 . . . A 19 ASP N . 34093 1 33 . 1 1 20 20 SER H H 1 7.79 . . 1 . . . A 20 SER H . 34093 1 34 . 1 1 20 20 SER N N 15 124.71 . . 1 . . . A 20 SER N . 34093 1 35 . 1 1 22 22 PHE H H 1 8.67 . . 1 . . . A 22 PHE H . 34093 1 36 . 1 1 22 22 PHE N N 15 128.41 . . 1 . . . A 22 PHE N . 34093 1 37 . 1 1 23 23 CYS H H 1 8.32 . . 1 . . . A 23 CYS H . 34093 1 38 . 1 1 23 23 CYS N N 15 126.62 . . 1 . . . A 23 CYS N . 34093 1 39 . 1 1 24 24 GLN H H 1 8.49 . . 1 . . . A 24 GLN H . 34093 1 40 . 1 1 24 24 GLN N N 15 120.17 . . 1 . . . A 24 GLN N . 34093 1 41 . 1 1 25 25 ARG H H 1 7.46 . . 1 . . . A 25 ARG H . 34093 1 42 . 1 1 25 25 ARG N N 15 118.47 . . 1 . . . A 25 ARG N . 34093 1 43 . 1 1 26 26 VAL H H 1 6.92 . . 1 . . . A 26 VAL H . 34093 1 44 . 1 1 26 26 VAL N N 15 118.28 . . 1 . . . A 26 VAL N . 34093 1 45 . 1 1 27 27 LEU H H 1 8.11 . . 1 . . . A 27 LEU H . 34093 1 46 . 1 1 27 27 LEU N N 15 119.74 . . 1 . . . A 27 LEU N . 34093 1 47 . 1 1 28 28 LEU H H 1 9.11 . . 1 . . . A 28 LEU H . 34093 1 48 . 1 1 28 28 LEU N N 15 116.96 . . 1 . . . A 28 LEU N . 34093 1 49 . 1 1 29 29 SER H H 1 7.01 . . 1 . . . A 29 SER H . 34093 1 50 . 1 1 29 29 SER N N 15 115.16 . . 1 . . . A 29 SER N . 34093 1 51 . 1 1 30 30 LEU H H 1 7.77 . . 1 . . . A 30 LEU H . 34093 1 52 . 1 1 30 30 LEU N N 15 120.73 . . 1 . . . A 30 LEU N . 34093 1 53 . 1 1 31 31 GLU H H 1 8.29 . . 1 . . . A 31 GLU H . 34093 1 54 . 1 1 31 31 GLU N N 15 115.66 . . 1 . . . A 31 GLU N . 34093 1 55 . 1 1 32 32 GLU H H 1 8.68 . . 1 . . . A 32 GLU H . 34093 1 56 . 1 1 32 32 GLU N N 15 118.88 . . 1 . . . A 32 GLU N . 34093 1 57 . 1 1 33 33 LYS H H 1 7.46 . . 1 . . . A 33 LYS H . 34093 1 58 . 1 1 33 33 LYS N N 15 114.65 . . 1 . . . A 33 LYS N . 34093 1 59 . 1 1 34 34 LYS H H 1 7.64 . . 1 . . . A 34 LYS H . 34093 1 60 . 1 1 34 34 LYS N N 15 116.83 . . 1 . . . A 34 LYS N . 34093 1 61 . 1 1 35 35 ILE H H 1 8.06 . . 1 . . . A 35 ILE H . 34093 1 62 . 1 1 35 35 ILE N N 15 122.19 . . 1 . . . A 35 ILE N . 34093 1 63 . 1 1 37 37 TYR H H 1 7.74 . . 1 . . . A 37 TYR H . 34093 1 64 . 1 1 37 37 TYR N N 15 115.79 . . 1 . . . A 37 TYR N . 34093 1 65 . 1 1 38 38 LYS H H 1 8.52 . . 1 . . . A 38 LYS H . 34093 1 66 . 1 1 38 38 LYS N N 15 122.31 . . 1 . . . A 38 LYS N . 34093 1 67 . 1 1 39 39 SER H H 1 8.49 . . 1 . . . A 39 SER H . 34093 1 68 . 1 1 39 39 SER N N 15 120.17 . . 1 . . . A 39 SER N . 34093 1 69 . 1 1 40 40 HIS H H 1 9.26 . . 1 . . . A 40 HIS H . 34093 1 70 . 1 1 40 40 HIS N N 15 123.91 . . 1 . . . A 40 HIS N . 34093 1 71 . 1 1 41 41 LEU H H 1 8.88 . . 1 . . . A 41 LEU H . 34093 1 72 . 1 1 41 41 LEU N N 15 124.64 . . 1 . . . A 41 LEU N . 34093 1 73 . 1 1 42 42 ILE H H 1 8.99 . . 1 . . . A 42 ILE H . 34093 1 74 . 1 1 42 42 ILE N N 15 125.71 . . 1 . . . A 42 ILE N . 34093 1 75 . 1 1 43 43 ASN H H 1 8.91 . . 1 . . . A 43 ASN H . 34093 1 76 . 1 1 43 43 ASN N N 15 127.21 . . 1 . . . A 43 ASN N . 34093 1 77 . 1 1 44 44 LEU H H 1 8.34 . . 1 . . . A 44 LEU H . 34093 1 78 . 1 1 44 44 LEU N N 15 125.85 . . 1 . . . A 44 LEU N . 34093 1 79 . 1 1 45 45 GLY H H 1 8.03 . . 1 . . . A 45 GLY H . 34093 1 80 . 1 1 45 45 GLY N N 15 105.3 . . 1 . . . A 45 GLY N . 34093 1 81 . 1 1 46 46 ASP H H 1 7.34 . . 1 . . . A 46 ASP H . 34093 1 82 . 1 1 46 46 ASP N N 15 122.78 . . 1 . . . A 46 ASP N . 34093 1 83 . 1 1 47 47 LYS H H 1 8.42 . . 1 . . . A 47 LYS H . 34093 1 84 . 1 1 47 47 LYS N N 15 123.19 . . 1 . . . A 47 LYS N . 34093 1 85 . 1 1 49 49 GLN H H 1 9.05 . . 1 . . . A 49 GLN H . 34093 1 86 . 1 1 49 49 GLN N N 15 123.74 . . 1 . . . A 49 GLN N . 34093 1 87 . 1 1 50 50 TRP H H 1 7.98 . . 1 . . . A 50 TRP H . 34093 1 88 . 1 1 50 50 TRP N N 15 115.1 . . 1 . . . A 50 TRP N . 34093 1 89 . 1 1 51 51 PHE H H 1 5.84 . . 1 . . . A 51 PHE H . 34093 1 90 . 1 1 51 51 PHE N N 15 122.53 . . 1 . . . A 51 PHE N . 34093 1 91 . 1 1 52 52 LEU H H 1 7.02 . . 1 . . . A 52 LEU H . 34093 1 92 . 1 1 52 52 LEU N N 15 120.5 . . 1 . . . A 52 LEU N . 34093 1 93 . 1 1 53 53 GLU H H 1 7.16 . . 1 . . . A 53 GLU H . 34093 1 94 . 1 1 53 53 GLU N N 15 114.99 . . 1 . . . A 53 GLU N . 34093 1 95 . 1 1 54 54 ILE H H 1 6.59 . . 1 . . . A 54 ILE H . 34093 1 96 . 1 1 54 54 ILE N N 15 115.86 . . 1 . . . A 54 ILE N . 34093 1 97 . 1 1 55 55 SER H H 1 7.31 . . 1 . . . A 55 SER H . 34093 1 98 . 1 1 55 55 SER N N 15 113.04 . . 1 . . . A 55 SER N . 34093 1 99 . 1 1 57 57 GLU H H 1 8.39 . . 1 . . . A 57 GLU H . 34093 1 100 . 1 1 57 57 GLU N N 15 115.07 . . 1 . . . A 57 GLU N . 34093 1 101 . 1 1 58 58 GLY H H 1 8.33 . . 1 . . . A 58 GLY H . 34093 1 102 . 1 1 58 58 GLY N N 15 109.16 . . 1 . . . A 58 GLY N . 34093 1 103 . 1 1 59 59 LYS H H 1 6.74 . . 1 . . . A 59 LYS H . 34093 1 104 . 1 1 59 59 LYS N N 15 117.02 . . 1 . . . A 59 LYS N . 34093 1 105 . 1 1 60 60 VAL H H 1 7.85 . . 1 . . . A 60 VAL H . 34093 1 106 . 1 1 60 60 VAL N N 15 109.84 . . 1 . . . A 60 VAL N . 34093 1 107 . 1 1 62 62 VAL H H 1 7.55 . . 1 . . . A 62 VAL H . 34093 1 108 . 1 1 62 62 VAL N N 15 113.51 . . 1 . . . A 62 VAL N . 34093 1 109 . 1 1 63 63 VAL H H 1 9.12 . . 1 . . . A 63 VAL H . 34093 1 110 . 1 1 63 63 VAL N N 15 124.23 . . 1 . . . A 63 VAL N . 34093 1 111 . 1 1 64 64 LYS H H 1 8.24 . . 1 . . . A 64 LYS H . 34093 1 112 . 1 1 64 64 LYS N N 15 130.54 . . 1 . . . A 64 LYS N . 34093 1 113 . 1 1 65 65 ILE H H 1 8.62 . . 1 . . . A 65 ILE H . 34093 1 114 . 1 1 65 65 ILE N N 15 128.8 . . 1 . . . A 65 ILE N . 34093 1 115 . 1 1 66 66 ASP H H 1 8.85 . . 1 . . . A 66 ASP H . 34093 1 116 . 1 1 66 66 ASP N N 15 127.7 . . 1 . . . A 66 ASP N . 34093 1 117 . 1 1 67 67 ASP H H 1 8.44 . . 1 . . . A 67 ASP H . 34093 1 118 . 1 1 67 67 ASP N N 15 113.41 . . 1 . . . A 67 ASP N . 34093 1 119 . 1 1 68 68 LYS H H 1 7.54 . . 1 . . . A 68 LYS H . 34093 1 120 . 1 1 68 68 LYS N N 15 120.00 . . 1 . . . A 68 LYS N . 34093 1 121 . 1 1 69 69 TRP H H 1 8.66 . . 1 . . . A 69 TRP H . 34093 1 122 . 1 1 69 69 TRP N N 15 122.84 . . 1 . . . A 69 TRP N . 34093 1 123 . 1 1 70 70 VAL H H 1 9.56 . . 1 . . . A 70 VAL H . 34093 1 124 . 1 1 70 70 VAL N N 15 128.08 . . 1 . . . A 70 VAL N . 34093 1 125 . 1 1 71 71 ALA H H 1 8.26 . . 1 . . . A 71 ALA H . 34093 1 126 . 1 1 71 71 ALA N N 15 129.6 . . 1 . . . A 71 ALA N . 34093 1 127 . 1 1 72 72 ASP H H 1 7.95 . . 1 . . . A 72 ASP H . 34093 1 128 . 1 1 72 72 ASP N N 15 111.92 . . 1 . . . A 72 ASP N . 34093 1 129 . 1 1 74 74 ASP H H 1 8.09 . . 1 . . . A 74 ASP H . 34093 1 130 . 1 1 74 74 ASP N N 15 120.57 . . 1 . . . A 74 ASP N . 34093 1 131 . 1 1 75 75 VAL H H 1 7.36 . . 1 . . . A 75 VAL H . 34093 1 132 . 1 1 75 75 VAL N N 15 122.39 . . 1 . . . A 75 VAL N . 34093 1 133 . 1 1 76 76 ILE H H 1 8.68 . . 1 . . . A 76 ILE H . 34093 1 134 . 1 1 76 76 ILE N N 15 118.88 . . 1 . . . A 76 ILE N . 34093 1 135 . 1 1 77 77 VAL H H 1 7.92 . . 1 . . . A 77 VAL H . 34093 1 136 . 1 1 77 77 VAL N N 15 112.53 . . 1 . . . A 77 VAL N . 34093 1 137 . 1 1 78 78 GLY H H 1 7.36 . . 1 . . . A 78 GLY H . 34093 1 138 . 1 1 78 78 GLY N N 15 108.06 . . 1 . . . A 78 GLY N . 34093 1 139 . 1 1 79 79 ILE H H 1 7.89 . . 1 . . . A 79 ILE H . 34093 1 140 . 1 1 79 79 ILE N N 15 124.38 . . 1 . . . A 79 ILE N . 34093 1 141 . 1 1 80 80 LEU H H 1 8.32 . . 1 . . . A 80 LEU H . 34093 1 142 . 1 1 80 80 LEU N N 15 117.66 . . 1 . . . A 80 LEU N . 34093 1 143 . 1 1 81 81 GLU H H 1 7.42 . . 1 . . . A 81 GLU H . 34093 1 144 . 1 1 81 81 GLU N N 15 117.85 . . 1 . . . A 81 GLU N . 34093 1 145 . 1 1 82 82 GLU H H 1 7.33 . . 1 . . . A 82 GLU H . 34093 1 146 . 1 1 82 82 GLU N N 15 117.1 . . 1 . . . A 82 GLU N . 34093 1 147 . 1 1 83 83 LYS H H 1 8.17 . . 1 . . . A 83 LYS H . 34093 1 148 . 1 1 83 83 LYS N N 15 115.24 . . 1 . . . A 83 LYS N . 34093 1 149 . 1 1 84 84 ASN H H 1 7.52 . . 1 . . . A 84 ASN H . 34093 1 150 . 1 1 84 84 ASN N N 15 115.69 . . 1 . . . A 84 ASN N . 34093 1 151 . 1 1 89 89 LEU H H 1 9.69 . . 1 . . . A 89 LEU H . 34093 1 152 . 1 1 89 89 LEU N N 15 122.57 . . 1 . . . A 89 LEU N . 34093 1 153 . 1 1 90 90 ALA H H 1 7.14 . . 1 . . . A 90 ALA H . 34093 1 154 . 1 1 90 90 ALA N N 15 122.73 . . 1 . . . A 90 ALA N . 34093 1 155 . 1 1 91 91 THR H H 1 8.72 . . 1 . . . A 91 THR H . 34093 1 156 . 1 1 91 91 THR N N 15 123.01 . . 1 . . . A 91 THR N . 34093 1 157 . 1 1 94 94 GLU H H 1 9.72 . . 1 . . . A 94 GLU H . 34093 1 158 . 1 1 94 94 GLU N N 15 117.9 . . 1 . . . A 94 GLU N . 34093 1 159 . 1 1 95 95 PHE H H 1 7.89 . . 1 . . . A 95 PHE H . 34093 1 160 . 1 1 95 95 PHE N N 15 118.02 . . 1 . . . A 95 PHE N . 34093 1 161 . 1 1 96 96 ALA H H 1 7.16 . . 1 . . . A 96 ALA H . 34093 1 162 . 1 1 96 96 ALA N N 15 119.8 . . 1 . . . A 96 ALA N . 34093 1 163 . 1 1 97 97 SER H H 1 8.33 . . 1 . . . A 97 SER H . 34093 1 164 . 1 1 97 97 SER N N 15 108.75 . . 1 . . . A 97 SER N . 34093 1 165 . 1 1 98 98 VAL H H 1 7.15 . . 1 . . . A 98 VAL H . 34093 1 166 . 1 1 98 98 VAL N N 15 126.47 . . 1 . . . A 98 VAL N . 34093 1 167 . 1 1 99 99 GLY H H 1 8.67 . . 1 . . . A 99 GLY H . 34093 1 168 . 1 1 99 99 GLY N N 15 113.24 . . 1 . . . A 99 GLY N . 34093 1 169 . 1 1 100 100 SER H H 1 7.86 . . 1 . . . A 100 SER H . 34093 1 170 . 1 1 100 100 SER N N 15 116.15 . . 1 . . . A 100 SER N . 34093 1 171 . 1 1 101 101 LYS H H 1 8.95 . . 1 . . . A 101 LYS H . 34093 1 172 . 1 1 101 101 LYS N N 15 119.59 . . 1 . . . A 101 LYS N . 34093 1 173 . 1 1 102 102 ILE H H 1 7.88 . . 1 . . . A 102 ILE H . 34093 1 174 . 1 1 102 102 ILE N N 15 123.43 . . 1 . . . A 102 ILE N . 34093 1 175 . 1 1 103 103 PHE H H 1 9.7 . . 1 . . . A 103 PHE H . 34093 1 176 . 1 1 103 103 PHE N N 15 119.83 . . 1 . . . A 103 PHE N . 34093 1 177 . 1 1 105 105 SER H H 1 7.14 . . 1 . . . A 105 SER H . 34093 1 178 . 1 1 105 105 SER N N 15 113.05 . . 1 . . . A 105 SER N . 34093 1 179 . 1 1 106 106 PHE H H 1 8.74 . . 1 . . . A 106 PHE H . 34093 1 180 . 1 1 106 106 PHE N N 15 128.34 . . 1 . . . A 106 PHE N . 34093 1 181 . 1 1 107 107 VAL H H 1 7.64 . . 1 . . . A 107 VAL H . 34093 1 182 . 1 1 107 107 VAL N N 15 122.69 . . 1 . . . A 107 VAL N . 34093 1 183 . 1 1 108 108 LYS H H 1 7.09 . . 1 . . . A 108 LYS H . 34093 1 184 . 1 1 108 108 LYS N N 15 115.53 . . 1 . . . A 108 LYS N . 34093 1 185 . 1 1 109 109 PHE H H 1 7.21 . . 1 . . . A 109 PHE H . 34093 1 186 . 1 1 109 109 PHE N N 15 118.07 . . 1 . . . A 109 PHE N . 34093 1 187 . 1 1 110 110 LEU H H 1 8.66 . . 1 . . . A 110 LEU H . 34093 1 188 . 1 1 110 110 LEU N N 15 121.45 . . 1 . . . A 110 LEU N . 34093 1 189 . 1 1 111 111 LYS H H 1 7.08 . . 1 . . . A 111 LYS H . 34093 1 190 . 1 1 111 111 LYS N N 15 111.17 . . 1 . . . A 111 LYS N . 34093 1 191 . 1 1 112 112 SER H H 1 6.91 . . 1 . . . A 112 SER H . 34093 1 192 . 1 1 112 112 SER N N 15 114.96 . . 1 . . . A 112 SER N . 34093 1 193 . 1 1 113 113 LYS H H 1 8.91 . . 1 . . . A 113 LYS H . 34093 1 194 . 1 1 113 113 LYS N N 15 128.11 . . 1 . . . A 113 LYS N . 34093 1 195 . 1 1 114 114 ASP H H 1 7.95 . . 1 . . . A 114 ASP H . 34093 1 196 . 1 1 114 114 ASP N N 15 120.91 . . 1 . . . A 114 ASP N . 34093 1 197 . 1 1 116 116 ASN H H 1 8.29 . . 1 . . . A 116 ASN H . 34093 1 198 . 1 1 116 116 ASN N N 15 115.66 . . 1 . . . A 116 ASN N . 34093 1 199 . 1 1 117 117 ASP H H 1 7.61 . . 1 . . . A 117 ASP H . 34093 1 200 . 1 1 117 117 ASP N N 15 119.07 . . 1 . . . A 117 ASP N . 34093 1 201 . 1 1 118 118 GLY H H 1 8.57 . . 1 . . . A 118 GLY H . 34093 1 202 . 1 1 118 118 GLY N N 15 108.65 . . 1 . . . A 118 GLY N . 34093 1 203 . 1 1 119 119 THR H H 1 8.81 . . 1 . . . A 119 THR H . 34093 1 204 . 1 1 119 119 THR N N 15 116.4 . . 1 . . . A 119 THR N . 34093 1 205 . 1 1 120 120 GLU H H 1 8.71 . . 1 . . . A 120 GLU H . 34093 1 206 . 1 1 120 120 GLU N N 15 127.15 . . 1 . . . A 120 GLU N . 34093 1 207 . 1 1 121 121 GLN H H 1 7.82 . . 1 . . . A 121 GLN H . 34093 1 208 . 1 1 121 121 GLN N N 15 117.42 . . 1 . . . A 121 GLN N . 34093 1 209 . 1 1 122 122 ALA H H 1 7.75 . . 1 . . . A 122 ALA H . 34093 1 210 . 1 1 122 122 ALA N N 15 121.12 . . 1 . . . A 122 ALA N . 34093 1 211 . 1 1 123 123 LEU H H 1 7.17 . . 1 . . . A 123 LEU H . 34093 1 212 . 1 1 123 123 LEU N N 15 118.5 . . 1 . . . A 123 LEU N . 34093 1 213 . 1 1 124 124 LEU H H 1 8.49 . . 1 . . . A 124 LEU H . 34093 1 214 . 1 1 124 124 LEU N N 15 120.17 . . 1 . . . A 124 LEU N . 34093 1 215 . 1 1 125 125 GLU H H 1 8.36 . . 1 . . . A 125 GLU H . 34093 1 216 . 1 1 125 125 GLU N N 15 118.39 . . 1 . . . A 125 GLU N . 34093 1 217 . 1 1 126 126 GLU H H 1 7.42 . . 1 . . . A 126 GLU H . 34093 1 218 . 1 1 126 126 GLU N N 15 118.87 . . 1 . . . A 126 GLU N . 34093 1 219 . 1 1 127 127 LEU H H 1 8.55 . . 1 . . . A 127 LEU H . 34093 1 220 . 1 1 127 127 LEU N N 15 121.95 . . 1 . . . A 127 LEU N . 34093 1 221 . 1 1 128 128 LYS H H 1 8.99 . . 1 . . . A 128 LYS H . 34093 1 222 . 1 1 128 128 LYS N N 15 121.03 . . 1 . . . A 128 LYS N . 34093 1 223 . 1 1 129 129 ALA H H 1 7.88 . . 1 . . . A 129 ALA H . 34093 1 224 . 1 1 129 129 ALA N N 15 123.43 . . 1 . . . A 129 ALA N . 34093 1 225 . 1 1 130 130 LEU H H 1 7.51 . . 1 . . . A 130 LEU H . 34093 1 226 . 1 1 130 130 LEU N N 15 120.98 . . 1 . . . A 130 LEU N . 34093 1 227 . 1 1 131 131 ASP H H 1 8.37 . . 1 . . . A 131 ASP H . 34093 1 228 . 1 1 131 131 ASP N N 15 120.89 . . 1 . . . A 131 ASP N . 34093 1 229 . 1 1 132 132 GLY H H 1 8.3 . . 1 . . . A 132 GLY H . 34093 1 230 . 1 1 132 132 GLY N N 15 102.36 . . 1 . . . A 132 GLY N . 34093 1 231 . 1 1 133 133 HIS H H 1 7.78 . . 1 . . . A 133 HIS H . 34093 1 232 . 1 1 133 133 HIS N N 15 122.17 . . 1 . . . A 133 HIS N . 34093 1 233 . 1 1 134 134 LEU H H 1 8.2 . . 1 . . . A 134 LEU H . 34093 1 234 . 1 1 134 134 LEU N N 15 119.58 . . 1 . . . A 134 LEU N . 34093 1 235 . 1 1 135 135 LYS H H 1 7.69 . . 1 . . . A 135 LYS H . 34093 1 236 . 1 1 135 135 LYS N N 15 120.34 . . 1 . . . A 135 LYS N . 34093 1 237 . 1 1 136 136 VAL H H 1 6.3 . . 1 . . . A 136 VAL H . 34093 1 238 . 1 1 136 136 VAL N N 15 113.98 . . 1 . . . A 136 VAL N . 34093 1 239 . 1 1 137 137 HIS H H 1 8.07 . . 1 . . . A 137 HIS H . 34093 1 240 . 1 1 137 137 HIS N N 15 117.8 . . 1 . . . A 137 HIS N . 34093 1 241 . 1 1 138 138 GLY H H 1 7.26 . . 1 . . . A 138 GLY H . 34093 1 242 . 1 1 138 138 GLY N N 15 103.53 . . 1 . . . A 138 GLY N . 34093 1 243 . 1 1 140 140 PHE H H 1 8.32 . . 1 . . . A 140 PHE H . 34093 1 244 . 1 1 140 140 PHE N N 15 117.66 . . 1 . . . A 140 PHE N . 34093 1 245 . 1 1 141 141 ILE H H 1 9.22 . . 1 . . . A 141 ILE H . 34093 1 246 . 1 1 141 141 ILE N N 15 119.42 . . 1 . . . A 141 ILE N . 34093 1 247 . 1 1 142 142 ALA H H 1 9.02 . . 1 . . . A 142 ALA H . 34093 1 248 . 1 1 142 142 ALA N N 15 117.25 . . 1 . . . A 142 ALA N . 34093 1 249 . 1 1 143 143 GLY H H 1 7.49 . . 1 . . . A 143 GLY H . 34093 1 250 . 1 1 143 143 GLY N N 15 111.79 . . 1 . . . A 143 GLY N . 34093 1 251 . 1 1 144 144 GLU H H 1 8.58 . . 1 . . . A 144 GLU H . 34093 1 252 . 1 1 144 144 GLU N N 15 121.39 . . 1 . . . A 144 GLU N . 34093 1 253 . 1 1 145 145 LYS H H 1 7.8 . . 1 . . . A 145 LYS H . 34093 1 254 . 1 1 145 145 LYS N N 15 116.83 . . 1 . . . A 145 LYS N . 34093 1 255 . 1 1 146 146 ILE H H 1 7.65 . . 1 . . . A 146 ILE H . 34093 1 256 . 1 1 146 146 ILE N N 15 124.08 . . 1 . . . A 146 ILE N . 34093 1 257 . 1 1 147 147 THR H H 1 9.27 . . 1 . . . A 147 THR H . 34093 1 258 . 1 1 147 147 THR N N 15 115.47 . . 1 . . . A 147 THR N . 34093 1 259 . 1 1 148 148 ALA H H 1 9.42 . . 1 . . . A 148 ALA H . 34093 1 260 . 1 1 148 148 ALA N N 15 123.03 . . 1 . . . A 148 ALA N . 34093 1 261 . 1 1 149 149 VAL H H 1 8.36 . . 1 . . . A 149 VAL H . 34093 1 262 . 1 1 149 149 VAL N N 15 118.39 . . 1 . . . A 149 VAL N . 34093 1 263 . 1 1 150 150 ASP H H 1 7.39 . . 1 . . . A 150 ASP H . 34093 1 264 . 1 1 150 150 ASP N N 15 120.11 . . 1 . . . A 150 ASP N . 34093 1 265 . 1 1 151 151 LEU H H 1 7.16 . . 1 . . . A 151 LEU H . 34093 1 266 . 1 1 151 151 LEU N N 15 114.99 . . 1 . . . A 151 LEU N . 34093 1 267 . 1 1 152 152 SER H H 1 7.44 . . 1 . . . A 152 SER H . 34093 1 268 . 1 1 152 152 SER N N 15 108.72 . . 1 . . . A 152 SER N . 34093 1 269 . 1 1 153 153 LEU H H 1 8.31 . . 1 . . . A 153 LEU H . 34093 1 270 . 1 1 153 153 LEU N N 15 119.28 . . 1 . . . A 153 LEU N . 34093 1 271 . 1 1 154 154 ALA H H 1 8.81 . . 1 . . . A 154 ALA H . 34093 1 272 . 1 1 154 154 ALA N N 15 120.76 . . 1 . . . A 154 ALA N . 34093 1 273 . 1 1 156 156 LYS H H 1 6.6 . . 1 . . . A 156 LYS H . 34093 1 274 . 1 1 156 156 LYS N N 15 113.99 . . 1 . . . A 156 LYS N . 34093 1 275 . 1 1 157 157 LEU H H 1 8.63 . . 1 . . . A 157 LEU H . 34093 1 276 . 1 1 157 157 LEU N N 15 118.43 . . 1 . . . A 157 LEU N . 34093 1 277 . 1 1 158 158 TYR H H 1 8.14 . . 1 . . . A 158 TYR H . 34093 1 278 . 1 1 158 158 TYR N N 15 121.13 . . 1 . . . A 158 TYR N . 34093 1 279 . 1 1 159 159 HIS H H 1 8.03 . . 1 . . . A 159 HIS H . 34093 1 280 . 1 1 159 159 HIS N N 15 118.16 . . 1 . . . A 159 HIS N . 34093 1 281 . 1 1 160 160 LEU H H 1 7.46 . . 1 . . . A 160 LEU H . 34093 1 282 . 1 1 160 160 LEU N N 15 118.47 . . 1 . . . A 160 LEU N . 34093 1 283 . 1 1 161 161 GLU H H 1 8.31 . . 1 . . . A 161 GLU H . 34093 1 284 . 1 1 161 161 GLU N N 15 118.18 . . 1 . . . A 161 GLU N . 34093 1 285 . 1 1 163 163 ALA H H 1 9.24 . . 1 . . . A 163 ALA H . 34093 1 286 . 1 1 163 163 ALA N N 15 120.61 . . 1 . . . A 163 ALA N . 34093 1 287 . 1 1 164 164 LEU H H 1 8.51 . . 1 . . . A 164 LEU H . 34093 1 288 . 1 1 164 164 LEU N N 15 115.28 . . 1 . . . A 164 LEU N . 34093 1 289 . 1 1 165 165 GLY H H 1 7.7 . . 1 . . . A 165 GLY H . 34093 1 290 . 1 1 165 165 GLY N N 15 107.65 . . 1 . . . A 165 GLY N . 34093 1 291 . 1 1 166 166 HIS H H 1 7.82 . . 1 . . . A 166 HIS H . 34093 1 292 . 1 1 166 166 HIS N N 15 117.42 . . 1 . . . A 166 HIS N . 34093 1 293 . 1 1 167 167 PHE H H 1 8.69 . . 1 . . . A 167 PHE H . 34093 1 294 . 1 1 167 167 PHE N N 15 112.21 . . 1 . . . A 167 PHE N . 34093 1 295 . 1 1 168 168 LYS H H 1 6.98 . . 1 . . . A 168 LYS H . 34093 1 296 . 1 1 168 168 LYS N N 15 112.71 . . 1 . . . A 168 LYS N . 34093 1 297 . 1 1 169 169 ASN H H 1 7.07 . . 1 . . . A 169 ASN H . 34093 1 298 . 1 1 169 169 ASN N N 15 118.1 . . 1 . . . A 169 ASN N . 34093 1 299 . 1 1 170 170 TRP H H 1 7.6 . . 1 . . . A 170 TRP H . 34093 1 300 . 1 1 170 170 TRP N N 15 122.00 . . 1 . . . A 170 TRP N . 34093 1 301 . 1 1 174 174 ASP H H 1 7.77 . . 1 . . . A 174 ASP H . 34093 1 302 . 1 1 174 174 ASP N N 15 119.42 . . 1 . . . A 174 ASP N . 34093 1 303 . 1 1 175 175 ASN H H 1 7.66 . . 1 . . . A 175 ASN H . 34093 1 304 . 1 1 175 175 ASN N N 15 112.4 . . 1 . . . A 175 ASN N . 34093 1 305 . 1 1 176 176 LEU H H 1 7.51 . . 1 . . . A 176 LEU H . 34093 1 306 . 1 1 176 176 LEU N N 15 125.41 . . 1 . . . A 176 LEU N . 34093 1 307 . 1 1 177 177 THR H H 1 8.49 . . 1 . . . A 177 THR H . 34093 1 308 . 1 1 177 177 THR N N 15 120.17 . . 1 . . . A 177 THR N . 34093 1 309 . 1 1 178 178 HIS H H 1 9.00 . . 1 . . . A 178 HIS H . 34093 1 310 . 1 1 178 178 HIS N N 15 123.32 . . 1 . . . A 178 HIS N . 34093 1 311 . 1 1 179 179 VAL H H 1 8.26 . . 1 . . . A 179 VAL H . 34093 1 312 . 1 1 179 179 VAL N N 15 123.92 . . 1 . . . A 179 VAL N . 34093 1 313 . 1 1 180 180 LEU H H 1 8.1 . . 1 . . . A 180 LEU H . 34093 1 314 . 1 1 180 180 LEU N N 15 118.66 . . 1 . . . A 180 LEU N . 34093 1 315 . 1 1 181 181 ASN H H 1 7.76 . . 1 . . . A 181 ASN H . 34093 1 316 . 1 1 181 181 ASN N N 15 118.22 . . 1 . . . A 181 ASN N . 34093 1 317 . 1 1 182 182 TYR H H 1 7.85 . . 1 . . . A 182 TYR H . 34093 1 318 . 1 1 182 182 TYR N N 15 122.93 . . 1 . . . A 182 TYR N . 34093 1 319 . 1 1 183 183 ILE H H 1 7.98 . . 1 . . . A 183 ILE H . 34093 1 320 . 1 1 183 183 ILE N N 15 115.1 . . 1 . . . A 183 ILE N . 34093 1 321 . 1 1 184 184 LYS H H 1 7.13 . . 1 . . . A 184 LYS H . 34093 1 322 . 1 1 184 184 LYS N N 15 119.36 . . 1 . . . A 184 LYS N . 34093 1 323 . 1 1 185 185 LEU H H 1 7.74 . . 1 . . . A 185 LEU H . 34093 1 324 . 1 1 185 185 LEU N N 15 119.9 . . 1 . . . A 185 LEU N . 34093 1 325 . 1 1 186 186 LEU H H 1 8.11 . . 1 . . . A 186 LEU H . 34093 1 326 . 1 1 186 186 LEU N N 15 119.74 . . 1 . . . A 186 LEU N . 34093 1 327 . 1 1 187 187 PHE H H 1 8.31 . . 1 . . . A 187 PHE H . 34093 1 328 . 1 1 187 187 PHE N N 15 114.61 . . 1 . . . A 187 PHE N . 34093 1 329 . 1 1 188 188 SER H H 1 7.17 . . 1 . . . A 188 SER H . 34093 1 330 . 1 1 188 188 SER N N 15 109.7 . . 1 . . . A 188 SER N . 34093 1 331 . 1 1 189 189 ARG H H 1 7.22 . . 1 . . . A 189 ARG H . 34093 1 332 . 1 1 189 189 ARG N N 15 122.73 . . 1 . . . A 189 ARG N . 34093 1 333 . 1 1 190 190 GLU H H 1 8.99 . . 1 . . . A 190 GLU H . 34093 1 334 . 1 1 190 190 GLU N N 15 125.71 . . 1 . . . A 190 GLU N . 34093 1 335 . 1 1 191 191 SER H H 1 8.43 . . 1 . . . A 191 SER H . 34093 1 336 . 1 1 191 191 SER N N 15 112.43 . . 1 . . . A 191 SER N . 34093 1 337 . 1 1 192 192 PHE H H 1 6.82 . . 1 . . . A 192 PHE H . 34093 1 338 . 1 1 192 192 PHE N N 15 126.16 . . 1 . . . A 192 PHE N . 34093 1 339 . 1 1 193 193 LYS H H 1 8.18 . . 1 . . . A 193 LYS H . 34093 1 340 . 1 1 193 193 LYS N N 15 118.61 . . 1 . . . A 193 LYS N . 34093 1 341 . 1 1 194 194 LYS H H 1 7.94 . . 1 . . . A 194 LYS H . 34093 1 342 . 1 1 194 194 LYS N N 15 114.02 . . 1 . . . A 194 LYS N . 34093 1 343 . 1 1 195 195 THR H H 1 6.89 . . 1 . . . A 195 THR H . 34093 1 344 . 1 1 195 195 THR N N 15 105.00 . . 1 . . . A 195 THR N . 34093 1 345 . 1 1 196 196 ARG H H 1 6.79 . . 1 . . . A 196 ARG H . 34093 1 346 . 1 1 196 196 ARG N N 15 120.94 . . 1 . . . A 196 ARG N . 34093 1 347 . 1 1 197 197 ALA H H 1 8.04 . . 1 . . . A 197 ALA H . 34093 1 348 . 1 1 197 197 ALA N N 15 125.9 . . 1 . . . A 197 ALA N . 34093 1 349 . 1 1 198 198 ALA H H 1 9.16 . . 1 . . . A 198 ALA H . 34093 1 350 . 1 1 198 198 ALA N N 15 125.54 . . 1 . . . A 198 ALA N . 34093 1 351 . 1 1 199 199 GLU H H 1 9.97 . . 1 . . . A 199 GLU H . 34093 1 352 . 1 1 199 199 GLU N N 15 125.29 . . 1 . . . A 199 GLU N . 34093 1 353 . 1 1 200 200 GLU H H 1 9.25 . . 1 . . . A 200 GLU H . 34093 1 354 . 1 1 200 200 GLU N N 15 114.4 . . 1 . . . A 200 GLU N . 34093 1 355 . 1 1 201 201 HIS H H 1 8.53 . . 1 . . . A 201 HIS H . 34093 1 356 . 1 1 201 201 HIS N N 15 116.12 . . 1 . . . A 201 HIS N . 34093 1 357 . 1 1 202 202 VAL H H 1 7.62 . . 1 . . . A 202 VAL H . 34093 1 358 . 1 1 202 202 VAL N N 15 124.77 . . 1 . . . A 202 VAL N . 34093 1 359 . 1 1 203 203 ILE H H 1 7.76 . . 1 . . . A 203 ILE H . 34093 1 360 . 1 1 203 203 ILE N N 15 118.22 . . 1 . . . A 203 ILE N . 34093 1 361 . 1 1 204 204 ALA H H 1 7.72 . . 1 . . . A 204 ALA H . 34093 1 362 . 1 1 204 204 ALA N N 15 119.03 . . 1 . . . A 204 ALA N . 34093 1 363 . 1 1 205 205 GLY H H 1 7.6 . . 1 . . . A 205 GLY H . 34093 1 364 . 1 1 205 205 GLY N N 15 103.05 . . 1 . . . A 205 GLY N . 34093 1 365 . 1 1 206 206 TRP H H 1 7.62 . . 1 . . . A 206 TRP H . 34093 1 366 . 1 1 206 206 TRP N N 15 118.54 . . 1 . . . A 206 TRP N . 34093 1 367 . 1 1 207 207 GLU H H 1 7.67 . . 1 . . . A 207 GLU H . 34093 1 368 . 1 1 207 207 GLU N N 15 117.71 . . 1 . . . A 207 GLU N . 34093 1 369 . 1 1 209 209 LYS H H 1 7.61 . . 1 . . . A 209 LYS H . 34093 1 370 . 1 1 209 209 LYS N N 15 115.88 . . 1 . . . A 209 LYS N . 34093 1 371 . 1 1 211 211 ASN H H 1 8.29 . . 1 . . . A 211 ASN H . 34093 1 372 . 1 1 211 211 ASN N N 15 115.66 . . 1 . . . A 211 ASN N . 34093 1 373 . 1 1 212 212 ALA H H 1 7.85 . . 1 . . . A 212 ALA H . 34093 1 374 . 1 1 212 212 ALA N N 15 122.93 . . 1 . . . A 212 ALA N . 34093 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34093 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' 2 $sample_2 . 34093 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 . 1 1 3 3 LEU H H 1 8.2 . . 1 . . . A 3 LEU H . 34093 2 2 . 1 1 3 3 LEU N N 15 121.82 . . 1 . . . A 3 LEU N . 34093 2 3 . 1 1 4 4 GLU H H 1 7.5 . . 1 . . . A 4 GLU H . 34093 2 4 . 1 1 4 4 GLU N N 15 122.88 . . 1 . . . A 4 GLU N . 34093 2 5 . 1 1 5 5 ILE H H 1 8.99 . . 1 . . . A 5 ILE H . 34093 2 6 . 1 1 5 5 ILE N N 15 118.81 . . 1 . . . A 5 ILE N . 34093 2 7 . 1 1 6 6 CYS H H 1 9.21 . . 1 . . . A 6 CYS H . 34093 2 8 . 1 1 6 6 CYS N N 15 124.48 . . 1 . . . A 6 CYS N . 34093 2 9 . 1 1 7 7 VAL H H 1 8.61 . . 1 . . . A 7 VAL H . 34093 2 10 . 1 1 7 7 VAL N N 15 113.08 . . 1 . . . A 7 VAL N . 34093 2 11 . 1 1 8 8 LYS H H 1 8.36 . . 1 . . . A 8 LYS H . 34093 2 12 . 1 1 8 8 LYS N N 15 118.04 . . 1 . . . A 8 LYS N . 34093 2 13 . 1 1 9 9 ALA H H 1 8.58 . . 1 . . . A 9 ALA H . 34093 2 14 . 1 1 9 9 ALA N N 15 131.98 . . 1 . . . A 9 ALA N . 34093 2 15 . 1 1 10 10 ALA H H 1 8.23 . . 1 . . . A 10 ALA H . 34093 2 16 . 1 1 10 10 ALA N N 15 123.9 . . 1 . . . A 10 ALA N . 34093 2 17 . 1 1 11 11 VAL H H 1 8.89 . . 1 . . . A 11 VAL H . 34093 2 18 . 1 1 11 11 VAL N N 15 127.32 . . 1 . . . A 11 VAL N . 34093 2 19 . 1 1 12 12 GLY H H 1 8.72 . . 1 . . . A 12 GLY H . 34093 2 20 . 1 1 12 12 GLY N N 15 115.39 . . 1 . . . A 12 GLY N . 34093 2 21 . 1 1 13 13 ALA H H 1 7.5 . . 1 . . . A 13 ALA H . 34093 2 22 . 1 1 13 13 ALA N N 15 122.88 . . 1 . . . A 13 ALA N . 34093 2 23 . 1 1 15 15 ASN H H 1 8.1 . . 1 . . . A 15 ASN H . 34093 2 24 . 1 1 15 15 ASN N N 15 113.06 . . 1 . . . A 15 ASN N . 34093 2 25 . 1 1 16 16 ILE H H 1 8.23 . . 1 . . . A 16 ILE H . 34093 2 26 . 1 1 16 16 ILE N N 15 123.9 . . 1 . . . A 16 ILE N . 34093 2 27 . 1 1 17 17 LEU H H 1 8.19 . . 1 . . . A 17 LEU H . 34093 2 28 . 1 1 17 17 LEU N N 15 127.4 . . 1 . . . A 17 LEU N . 34093 2 29 . 1 1 18 18 GLY H H 1 7.67 . . 1 . . . A 18 GLY H . 34093 2 30 . 1 1 18 18 GLY N N 15 112.35 . . 1 . . . A 18 GLY N . 34093 2 31 . 1 1 19 19 ASP H H 1 8.2 . . 1 . . . A 19 ASP H . 34093 2 32 . 1 1 19 19 ASP N N 15 113.17 . . 1 . . . A 19 ASP N . 34093 2 33 . 1 1 20 20 SER H H 1 7.78 . . 1 . . . A 20 SER H . 34093 2 34 . 1 1 20 20 SER N N 15 124.42 . . 1 . . . A 20 SER N . 34093 2 35 . 1 1 22 22 PHE H H 1 8.67 . . 1 . . . A 22 PHE H . 34093 2 36 . 1 1 22 22 PHE N N 15 128.4 . . 1 . . . A 22 PHE N . 34093 2 37 . 1 1 23 23 CYS H H 1 8.32 . . 1 . . . A 23 CYS H . 34093 2 38 . 1 1 23 23 CYS N N 15 126.67 . . 1 . . . A 23 CYS N . 34093 2 39 . 1 1 24 24 GLN H H 1 8.47 . . 1 . . . A 24 GLN H . 34093 2 40 . 1 1 24 24 GLN N N 15 120.22 . . 1 . . . A 24 GLN N . 34093 2 41 . 1 1 25 25 ARG H H 1 7.48 . . 1 . . . A 25 ARG H . 34093 2 42 . 1 1 25 25 ARG N N 15 118.56 . . 1 . . . A 25 ARG N . 34093 2 43 . 1 1 26 26 VAL H H 1 6.85 . . 1 . . . A 26 VAL H . 34093 2 44 . 1 1 26 26 VAL N N 15 118.11 . . 1 . . . A 26 VAL N . 34093 2 45 . 1 1 27 27 LEU H H 1 8.14 . . 1 . . . A 27 LEU H . 34093 2 46 . 1 1 27 27 LEU N N 15 119.43 . . 1 . . . A 27 LEU N . 34093 2 47 . 1 1 28 28 LEU H H 1 9.06 . . 1 . . . A 28 LEU H . 34093 2 48 . 1 1 28 28 LEU N N 15 116.91 . . 1 . . . A 28 LEU N . 34093 2 49 . 1 1 29 29 SER H H 1 7.01 . . 1 . . . A 29 SER H . 34093 2 50 . 1 1 29 29 SER N N 15 115.17 . . 1 . . . A 29 SER N . 34093 2 51 . 1 1 30 30 LEU H H 1 7.8 . . 1 . . . A 30 LEU H . 34093 2 52 . 1 1 30 30 LEU N N 15 120.62 . . 1 . . . A 30 LEU N . 34093 2 53 . 1 1 31 31 GLU H H 1 8.29 . . 1 . . . A 31 GLU H . 34093 2 54 . 1 1 31 31 GLU N N 15 115.65 . . 1 . . . A 31 GLU N . 34093 2 55 . 1 1 32 32 GLU H H 1 8.67 . . 1 . . . A 32 GLU H . 34093 2 56 . 1 1 32 32 GLU N N 15 118.84 . . 1 . . . A 32 GLU N . 34093 2 57 . 1 1 33 33 LYS H H 1 7.45 . . 1 . . . A 33 LYS H . 34093 2 58 . 1 1 33 33 LYS N N 15 114.63 . . 1 . . . A 33 LYS N . 34093 2 59 . 1 1 34 34 LYS H H 1 7.64 . . 1 . . . A 34 LYS H . 34093 2 60 . 1 1 34 34 LYS N N 15 116.88 . . 1 . . . A 34 LYS N . 34093 2 61 . 1 1 35 35 ILE H H 1 8.09 . . 1 . . . A 35 ILE H . 34093 2 62 . 1 1 35 35 ILE N N 15 122.26 . . 1 . . . A 35 ILE N . 34093 2 63 . 1 1 37 37 TYR H H 1 7.76 . . 1 . . . A 37 TYR H . 34093 2 64 . 1 1 37 37 TYR N N 15 115.84 . . 1 . . . A 37 TYR N . 34093 2 65 . 1 1 38 38 LYS H H 1 8.48 . . 1 . . . A 38 LYS H . 34093 2 66 . 1 1 38 38 LYS N N 15 122.05 . . 1 . . . A 38 LYS N . 34093 2 67 . 1 1 39 39 SER H H 1 8.47 . . 1 . . . A 39 SER H . 34093 2 68 . 1 1 39 39 SER N N 15 120.22 . . 1 . . . A 39 SER N . 34093 2 69 . 1 1 40 40 HIS H H 1 9.22 . . 1 . . . A 40 HIS H . 34093 2 70 . 1 1 40 40 HIS N N 15 123.38 . . 1 . . . A 40 HIS N . 34093 2 71 . 1 1 41 41 LEU H H 1 8.96 . . 1 . . . A 41 LEU H . 34093 2 72 . 1 1 41 41 LEU N N 15 124.7 . . 1 . . . A 41 LEU N . 34093 2 73 . 1 1 42 42 ILE H H 1 8.92 . . 1 . . . A 42 ILE H . 34093 2 74 . 1 1 42 42 ILE N N 15 125.64 . . 1 . . . A 42 ILE N . 34093 2 75 . 1 1 43 43 ASN H H 1 8.89 . . 1 . . . A 43 ASN H . 34093 2 76 . 1 1 43 43 ASN N N 15 127.32 . . 1 . . . A 43 ASN N . 34093 2 77 . 1 1 44 44 LEU H H 1 8.33 . . 1 . . . A 44 LEU H . 34093 2 78 . 1 1 44 44 LEU N N 15 125.97 . . 1 . . . A 44 LEU N . 34093 2 79 . 1 1 45 45 GLY H H 1 8.03 . . 1 . . . A 45 GLY H . 34093 2 80 . 1 1 45 45 GLY N N 15 105.31 . . 1 . . . A 45 GLY N . 34093 2 81 . 1 1 46 46 ASP H H 1 7.37 . . 1 . . . A 46 ASP H . 34093 2 82 . 1 1 46 46 ASP N N 15 122.82 . . 1 . . . A 46 ASP N . 34093 2 83 . 1 1 47 47 LYS H H 1 8.43 . . 1 . . . A 47 LYS H . 34093 2 84 . 1 1 47 47 LYS N N 15 123.2 . . 1 . . . A 47 LYS N . 34093 2 85 . 1 1 49 49 GLN H H 1 9.06 . . 1 . . . A 49 GLN H . 34093 2 86 . 1 1 49 49 GLN N N 15 123.44 . . 1 . . . A 49 GLN N . 34093 2 87 . 1 1 50 50 TRP H H 1 8 . . 1 . . . A 50 TRP H . 34093 2 88 . 1 1 50 50 TRP N N 15 115.11 . . 1 . . . A 50 TRP N . 34093 2 89 . 1 1 51 51 PHE H H 1 5.83 . . 1 . . . A 51 PHE H . 34093 2 90 . 1 1 51 51 PHE N N 15 122.43 . . 1 . . . A 51 PHE N . 34093 2 91 . 1 1 52 52 LEU H H 1 7.01 . . 1 . . . A 52 LEU H . 34093 2 92 . 1 1 52 52 LEU N N 15 120.54 . . 1 . . . A 52 LEU N . 34093 2 93 . 1 1 53 53 GLU H H 1 7.16 . . 1 . . . A 53 GLU H . 34093 2 94 . 1 1 53 53 GLU N N 15 115.01 . . 1 . . . A 53 GLU N . 34093 2 95 . 1 1 54 54 ILE H H 1 6.59 . . 1 . . . A 54 ILE H . 34093 2 96 . 1 1 54 54 ILE N N 15 115.86 . . 1 . . . A 54 ILE N . 34093 2 97 . 1 1 55 55 SER H H 1 7.29 . . 1 . . . A 55 SER H . 34093 2 98 . 1 1 55 55 SER N N 15 112.9 . . 1 . . . A 55 SER N . 34093 2 99 . 1 1 57 57 GLU H H 1 8.38 . . 1 . . . A 57 GLU H . 34093 2 100 . 1 1 57 57 GLU N N 15 115.04 . . 1 . . . A 57 GLU N . 34093 2 101 . 1 1 58 58 GLY H H 1 8.27 . . 1 . . . A 58 GLY H . 34093 2 102 . 1 1 58 58 GLY N N 15 108.73 . . 1 . . . A 58 GLY N . 34093 2 103 . 1 1 59 59 LYS H H 1 6.76 . . 1 . . . A 59 LYS H . 34093 2 104 . 1 1 59 59 LYS N N 15 116.94 . . 1 . . . A 59 LYS N . 34093 2 105 . 1 1 60 60 VAL H H 1 8.02 . . 1 . . . A 60 VAL H . 34093 2 106 . 1 1 60 60 VAL N N 15 109.55 . . 1 . . . A 60 VAL N . 34093 2 107 . 1 1 62 62 VAL H H 1 7.55 . . 1 . . . A 62 VAL H . 34093 2 108 . 1 1 62 62 VAL N N 15 113.52 . . 1 . . . A 62 VAL N . 34093 2 109 . 1 1 63 63 VAL H H 1 9.17 . . 1 . . . A 63 VAL H . 34093 2 110 . 1 1 63 63 VAL N N 15 124.43 . . 1 . . . A 63 VAL N . 34093 2 111 . 1 1 64 64 LYS H H 1 8.27 . . 1 . . . A 64 LYS H . 34093 2 112 . 1 1 64 64 LYS N N 15 130.62 . . 1 . . . A 64 LYS N . 34093 2 113 . 1 1 65 65 ILE H H 1 8.61 . . 1 . . . A 65 ILE H . 34093 2 114 . 1 1 65 65 ILE N N 15 128.81 . . 1 . . . A 65 ILE N . 34093 2 115 . 1 1 66 66 ASP H H 1 8.88 . . 1 . . . A 66 ASP H . 34093 2 116 . 1 1 66 66 ASP N N 15 127.74 . . 1 . . . A 66 ASP N . 34093 2 117 . 1 1 67 67 ASP H H 1 8.42 . . 1 . . . A 67 ASP H . 34093 2 118 . 1 1 67 67 ASP N N 15 113.56 . . 1 . . . A 67 ASP N . 34093 2 119 . 1 1 68 68 LYS H H 1 7.54 . . 1 . . . A 68 LYS H . 34093 2 120 . 1 1 68 68 LYS N N 15 120.01 . . 1 . . . A 68 LYS N . 34093 2 121 . 1 1 69 69 TRP H H 1 8.66 . . 1 . . . A 69 TRP H . 34093 2 122 . 1 1 69 69 TRP N N 15 122.86 . . 1 . . . A 69 TRP N . 34093 2 123 . 1 1 70 70 VAL H H 1 9.57 . . 1 . . . A 70 VAL H . 34093 2 124 . 1 1 70 70 VAL N N 15 127.88 . . 1 . . . A 70 VAL N . 34093 2 125 . 1 1 71 71 ALA H H 1 8.27 . . 1 . . . A 71 ALA H . 34093 2 126 . 1 1 71 71 ALA N N 15 129.65 . . 1 . . . A 71 ALA N . 34093 2 127 . 1 1 72 72 ASP H H 1 7.94 . . 1 . . . A 72 ASP H . 34093 2 128 . 1 1 72 72 ASP N N 15 111.79 . . 1 . . . A 72 ASP N . 34093 2 129 . 1 1 74 74 ASP H H 1 8.05 . . 1 . . . A 74 ASP H . 34093 2 130 . 1 1 74 74 ASP N N 15 120.55 . . 1 . . . A 74 ASP N . 34093 2 131 . 1 1 75 75 VAL H H 1 7.37 . . 1 . . . A 75 VAL H . 34093 2 132 . 1 1 75 75 VAL N N 15 122.43 . . 1 . . . A 75 VAL N . 34093 2 133 . 1 1 76 76 ILE H H 1 8.67 . . 1 . . . A 76 ILE H . 34093 2 134 . 1 1 76 76 ILE N N 15 118.84 . . 1 . . . A 76 ILE N . 34093 2 135 . 1 1 77 77 VAL H H 1 7.93 . . 1 . . . A 77 VAL H . 34093 2 136 . 1 1 77 77 VAL N N 15 112.69 . . 1 . . . A 77 VAL N . 34093 2 137 . 1 1 78 78 GLY H H 1 7.37 . . 1 . . . A 78 GLY H . 34093 2 138 . 1 1 78 78 GLY N N 15 108.03 . . 1 . . . A 78 GLY N . 34093 2 139 . 1 1 79 79 ILE H H 1 7.89 . . 1 . . . A 79 ILE H . 34093 2 140 . 1 1 79 79 ILE N N 15 124.38 . . 1 . . . A 79 ILE N . 34093 2 141 . 1 1 80 80 LEU H H 1 8.3 . . 1 . . . A 80 LEU H . 34093 2 142 . 1 1 80 80 LEU N N 15 117.64 . . 1 . . . A 80 LEU N . 34093 2 143 . 1 1 81 81 GLU H H 1 7.45 . . 1 . . . A 81 GLU H . 34093 2 144 . 1 1 81 81 GLU N N 15 118.01 . . 1 . . . A 81 GLU N . 34093 2 145 . 1 1 82 82 GLU H H 1 7.34 . . 1 . . . A 82 GLU H . 34093 2 146 . 1 1 82 82 GLU N N 15 117.14 . . 1 . . . A 82 GLU N . 34093 2 147 . 1 1 83 83 LYS H H 1 8.17 . . 1 . . . A 83 LYS H . 34093 2 148 . 1 1 83 83 LYS N N 15 115.19 . . 1 . . . A 83 LYS N . 34093 2 149 . 1 1 84 84 ASN H H 1 7.51 . . 1 . . . A 84 ASN H . 34093 2 150 . 1 1 84 84 ASN N N 15 115.68 . . 1 . . . A 84 ASN N . 34093 2 151 . 1 1 89 89 LEU H H 1 9.67 . . 1 . . . A 89 LEU H . 34093 2 152 . 1 1 89 89 LEU N N 15 122.61 . . 1 . . . A 89 LEU N . 34093 2 153 . 1 1 90 90 ALA H H 1 7.14 . . 1 . . . A 90 ALA H . 34093 2 154 . 1 1 90 90 ALA N N 15 122.68 . . 1 . . . A 90 ALA N . 34093 2 155 . 1 1 91 91 THR H H 1 8.71 . . 1 . . . A 91 THR H . 34093 2 156 . 1 1 91 91 THR N N 15 123.02 . . 1 . . . A 91 THR N . 34093 2 157 . 1 1 94 94 GLU H H 1 9.65 . . 1 . . . A 94 GLU H . 34093 2 158 . 1 1 94 94 GLU N N 15 117.86 . . 1 . . . A 94 GLU N . 34093 2 159 . 1 1 95 95 PHE H H 1 7.87 . . 1 . . . A 95 PHE H . 34093 2 160 . 1 1 95 95 PHE N N 15 117.85 . . 1 . . . A 95 PHE N . 34093 2 161 . 1 1 96 96 ALA H H 1 7.15 . . 1 . . . A 96 ALA H . 34093 2 162 . 1 1 96 96 ALA N N 15 119.86 . . 1 . . . A 96 ALA N . 34093 2 163 . 1 1 97 97 SER H H 1 8.3 . . 1 . . . A 97 SER H . 34093 2 164 . 1 1 97 97 SER N N 15 109.03 . . 1 . . . A 97 SER N . 34093 2 165 . 1 1 98 98 VAL H H 1 7.15 . . 1 . . . A 98 VAL H . 34093 2 166 . 1 1 98 98 VAL N N 15 126.43 . . 1 . . . A 98 VAL N . 34093 2 167 . 1 1 99 99 GLY H H 1 8.7 . . 1 . . . A 99 GLY H . 34093 2 168 . 1 1 99 99 GLY N N 15 112.8 . . 1 . . . A 99 GLY N . 34093 2 169 . 1 1 100 100 SER H H 1 7.86 . . 1 . . . A 100 SER H . 34093 2 170 . 1 1 100 100 SER N N 15 115.91 . . 1 . . . A 100 SER N . 34093 2 171 . 1 1 101 101 LYS H H 1 8.95 . . 1 . . . A 101 LYS H . 34093 2 172 . 1 1 101 101 LYS N N 15 119.59 . . 1 . . . A 101 LYS N . 34093 2 173 . 1 1 102 102 ILE H H 1 7.91 . . 1 . . . A 102 ILE H . 34093 2 174 . 1 1 102 102 ILE N N 15 123.12 . . 1 . . . A 102 ILE N . 34093 2 175 . 1 1 103 103 PHE H H 1 9.68 . . 1 . . . A 103 PHE H . 34093 2 176 . 1 1 103 103 PHE N N 15 119.93 . . 1 . . . A 103 PHE N . 34093 2 177 . 1 1 105 105 SER H H 1 7.18 . . 1 . . . A 105 SER H . 34093 2 178 . 1 1 105 105 SER N N 15 113.14 . . 1 . . . A 105 SER N . 34093 2 179 . 1 1 106 106 PHE H H 1 8.75 . . 1 . . . A 106 PHE H . 34093 2 180 . 1 1 106 106 PHE N N 15 128.34 . . 1 . . . A 106 PHE N . 34093 2 181 . 1 1 107 107 VAL H H 1 7.66 . . 1 . . . A 107 VAL H . 34093 2 182 . 1 1 107 107 VAL N N 15 122.63 . . 1 . . . A 107 VAL N . 34093 2 183 . 1 1 108 108 LYS H H 1 7.09 . . 1 . . . A 108 LYS H . 34093 2 184 . 1 1 108 108 LYS N N 15 115.41 . . 1 . . . A 108 LYS N . 34093 2 185 . 1 1 109 109 PHE H H 1 7.21 . . 1 . . . A 109 PHE H . 34093 2 186 . 1 1 109 109 PHE N N 15 118.12 . . 1 . . . A 109 PHE N . 34093 2 187 . 1 1 110 110 LEU H H 1 8.64 . . 1 . . . A 110 LEU H . 34093 2 188 . 1 1 110 110 LEU N N 15 121.31 . . 1 . . . A 110 LEU N . 34093 2 189 . 1 1 111 111 LYS H H 1 7.06 . . 1 . . . A 111 LYS H . 34093 2 190 . 1 1 111 111 LYS N N 15 111.16 . . 1 . . . A 111 LYS N . 34093 2 191 . 1 1 112 112 SER H H 1 6.92 . . 1 . . . A 112 SER H . 34093 2 192 . 1 1 112 112 SER N N 15 114.91 . . 1 . . . A 112 SER N . 34093 2 193 . 1 1 113 113 LYS H H 1 8.91 . . 1 . . . A 113 LYS H . 34093 2 194 . 1 1 113 113 LYS N N 15 128.31 . . 1 . . . A 113 LYS N . 34093 2 195 . 1 1 114 114 ASP H H 1 7.95 . . 1 . . . A 114 ASP H . 34093 2 196 . 1 1 114 114 ASP N N 15 120.92 . . 1 . . . A 114 ASP N . 34093 2 197 . 1 1 116 116 ASN H H 1 8.29 . . 1 . . . A 116 ASN H . 34093 2 198 . 1 1 116 116 ASN N N 15 115.65 . . 1 . . . A 116 ASN N . 34093 2 199 . 1 1 117 117 ASP H H 1 7.61 . . 1 . . . A 117 ASP H . 34093 2 200 . 1 1 117 117 ASP N N 15 119.05 . . 1 . . . A 117 ASP N . 34093 2 201 . 1 1 118 118 GLY H H 1 8.56 . . 1 . . . A 118 GLY H . 34093 2 202 . 1 1 118 118 GLY N N 15 108.68 . . 1 . . . A 118 GLY N . 34093 2 203 . 1 1 119 119 THR H H 1 8.81 . . 1 . . . A 119 THR H . 34093 2 204 . 1 1 119 119 THR N N 15 116.35 . . 1 . . . A 119 THR N . 34093 2 205 . 1 1 120 120 GLU H H 1 8.7 . . 1 . . . A 120 GLU H . 34093 2 206 . 1 1 120 120 GLU N N 15 127.13 . . 1 . . . A 120 GLU N . 34093 2 207 . 1 1 121 121 GLN H H 1 7.82 . . 1 . . . A 121 GLN H . 34093 2 208 . 1 1 121 121 GLN N N 15 117.42 . . 1 . . . A 121 GLN N . 34093 2 209 . 1 1 122 122 ALA H H 1 7.74 . . 1 . . . A 122 ALA H . 34093 2 210 . 1 1 122 122 ALA N N 15 121.11 . . 1 . . . A 122 ALA N . 34093 2 211 . 1 1 123 123 LEU H H 1 7.16 . . 1 . . . A 123 LEU H . 34093 2 212 . 1 1 123 123 LEU N N 15 118.38 . . 1 . . . A 123 LEU N . 34093 2 213 . 1 1 124 124 LEU H H 1 8.47 . . 1 . . . A 124 LEU H . 34093 2 214 . 1 1 124 124 LEU N N 15 120.22 . . 1 . . . A 124 LEU N . 34093 2 215 . 1 1 125 125 GLU H H 1 8.43 . . 1 . . . A 125 GLU H . 34093 2 216 . 1 1 125 125 GLU N N 15 118.27 . . 1 . . . A 125 GLU N . 34093 2 217 . 1 1 126 126 GLU H H 1 7.38 . . 1 . . . A 126 GLU H . 34093 2 218 . 1 1 126 126 GLU N N 15 118.49 . . 1 . . . A 126 GLU N . 34093 2 219 . 1 1 127 127 LEU H H 1 8.55 . . 1 . . . A 127 LEU H . 34093 2 220 . 1 1 127 127 LEU N N 15 121.98 . . 1 . . . A 127 LEU N . 34093 2 221 . 1 1 128 128 LYS H H 1 9.02 . . 1 . . . A 128 LYS H . 34093 2 222 . 1 1 128 128 LYS N N 15 121 . . 1 . . . A 128 LYS N . 34093 2 223 . 1 1 129 129 ALA H H 1 7.88 . . 1 . . . A 129 ALA H . 34093 2 224 . 1 1 129 129 ALA N N 15 123.43 . . 1 . . . A 129 ALA N . 34093 2 225 . 1 1 130 130 LEU H H 1 7.51 . . 1 . . . A 130 LEU H . 34093 2 226 . 1 1 130 130 LEU N N 15 120.92 . . 1 . . . A 130 LEU N . 34093 2 227 . 1 1 131 131 ASP H H 1 8.36 . . 1 . . . A 131 ASP H . 34093 2 228 . 1 1 131 131 ASP N N 15 120.84 . . 1 . . . A 131 ASP N . 34093 2 229 . 1 1 132 132 GLY H H 1 8.29 . . 1 . . . A 132 GLY H . 34093 2 230 . 1 1 132 132 GLY N N 15 102.47 . . 1 . . . A 132 GLY N . 34093 2 231 . 1 1 133 133 HIS H H 1 7.78 . . 1 . . . A 133 HIS H . 34093 2 232 . 1 1 133 133 HIS N N 15 122.12 . . 1 . . . A 133 HIS N . 34093 2 233 . 1 1 134 134 LEU H H 1 8.27 . . 1 . . . A 134 LEU H . 34093 2 234 . 1 1 134 134 LEU N N 15 119.07 . . 1 . . . A 134 LEU N . 34093 2 235 . 1 1 135 135 LYS H H 1 7.67 . . 1 . . . A 135 LYS H . 34093 2 236 . 1 1 135 135 LYS N N 15 120.15 . . 1 . . . A 135 LYS N . 34093 2 237 . 1 1 136 136 VAL H H 1 6.31 . . 1 . . . A 136 VAL H . 34093 2 238 . 1 1 136 136 VAL N N 15 113.15 . . 1 . . . A 136 VAL N . 34093 2 239 . 1 1 137 137 HIS H H 1 8.09 . . 1 . . . A 137 HIS H . 34093 2 240 . 1 1 137 137 HIS N N 15 117 . . 1 . . . A 137 HIS N . 34093 2 241 . 1 1 138 138 GLY H H 1 7.28 . . 1 . . . A 138 GLY H . 34093 2 242 . 1 1 138 138 GLY N N 15 103.89 . . 1 . . . A 138 GLY N . 34093 2 243 . 1 1 140 140 PHE H H 1 8.3 . . 1 . . . A 140 PHE H . 34093 2 244 . 1 1 140 140 PHE N N 15 117.64 . . 1 . . . A 140 PHE N . 34093 2 245 . 1 1 141 141 ILE H H 1 9.25 . . 1 . . . A 141 ILE H . 34093 2 246 . 1 1 141 141 ILE N N 15 119.45 . . 1 . . . A 141 ILE N . 34093 2 247 . 1 1 142 142 ALA H H 1 9.04 . . 1 . . . A 142 ALA H . 34093 2 248 . 1 1 142 142 ALA N N 15 117.29 . . 1 . . . A 142 ALA N . 34093 2 249 . 1 1 143 143 GLY H H 1 7.5 . . 1 . . . A 143 GLY H . 34093 2 250 . 1 1 143 143 GLY N N 15 111.66 . . 1 . . . A 143 GLY N . 34093 2 251 . 1 1 144 144 GLU H H 1 8.58 . . 1 . . . A 144 GLU H . 34093 2 252 . 1 1 144 144 GLU N N 15 121.58 . . 1 . . . A 144 GLU N . 34093 2 253 . 1 1 145 145 LYS H H 1 7.8 . . 1 . . . A 145 LYS H . 34093 2 254 . 1 1 145 145 LYS N N 15 116.76 . . 1 . . . A 145 LYS N . 34093 2 255 . 1 1 146 146 ILE H H 1 7.64 . . 1 . . . A 146 ILE H . 34093 2 256 . 1 1 146 146 ILE N N 15 124.2 . . 1 . . . A 146 ILE N . 34093 2 257 . 1 1 147 147 THR H H 1 9.25 . . 1 . . . A 147 THR H . 34093 2 258 . 1 1 147 147 THR N N 15 115.55 . . 1 . . . A 147 THR N . 34093 2 259 . 1 1 148 148 ALA H H 1 9.41 . . 1 . . . A 148 ALA H . 34093 2 260 . 1 1 148 148 ALA N N 15 123.01 . . 1 . . . A 148 ALA N . 34093 2 261 . 1 1 149 149 VAL H H 1 8.36 . . 1 . . . A 149 VAL H . 34093 2 262 . 1 1 149 149 VAL N N 15 118.04 . . 1 . . . A 149 VAL N . 34093 2 263 . 1 1 150 150 ASP H H 1 7.4 . . 1 . . . A 150 ASP H . 34093 2 264 . 1 1 150 150 ASP N N 15 120.11 . . 1 . . . A 150 ASP N . 34093 2 265 . 1 1 151 151 LEU H H 1 7.16 . . 1 . . . A 151 LEU H . 34093 2 266 . 1 1 151 151 LEU N N 15 115.01 . . 1 . . . A 151 LEU N . 34093 2 267 . 1 1 152 152 SER H H 1 7.44 . . 1 . . . A 152 SER H . 34093 2 268 . 1 1 152 152 SER N N 15 108.73 . . 1 . . . A 152 SER N . 34093 2 269 . 1 1 153 153 LEU H H 1 8.27 . . 1 . . . A 153 LEU H . 34093 2 270 . 1 1 153 153 LEU N N 15 119.07 . . 1 . . . A 153 LEU N . 34093 2 271 . 1 1 154 154 ALA H H 1 8.83 . . 1 . . . A 154 ALA H . 34093 2 272 . 1 1 154 154 ALA N N 15 120.66 . . 1 . . . A 154 ALA N . 34093 2 273 . 1 1 156 156 LYS H H 1 6.58 . . 1 . . . A 156 LYS H . 34093 2 274 . 1 1 156 156 LYS N N 15 114.36 . . 1 . . . A 156 LYS N . 34093 2 275 . 1 1 157 157 LEU H H 1 8.66 . . 1 . . . A 157 LEU H . 34093 2 276 . 1 1 157 157 LEU N N 15 118.47 . . 1 . . . A 157 LEU N . 34093 2 277 . 1 1 158 158 TYR H H 1 8.14 . . 1 . . . A 158 TYR H . 34093 2 278 . 1 1 158 158 TYR N N 15 121.14 . . 1 . . . A 158 TYR N . 34093 2 279 . 1 1 159 159 HIS H H 1 8 . . 1 . . . A 159 HIS H . 34093 2 280 . 1 1 159 159 HIS N N 15 117.8 . . 1 . . . A 159 HIS N . 34093 2 281 . 1 1 160 160 LEU H H 1 7.48 . . 1 . . . A 160 LEU H . 34093 2 282 . 1 1 160 160 LEU N N 15 118.56 . . 1 . . . A 160 LEU N . 34093 2 283 . 1 1 161 161 GLU H H 1 8.36 . . 1 . . . A 161 GLU H . 34093 2 284 . 1 1 161 161 GLU N N 15 118.04 . . 1 . . . A 161 GLU N . 34093 2 285 . 1 1 163 163 ALA H H 1 9.31 . . 1 . . . A 163 ALA H . 34093 2 286 . 1 1 163 163 ALA N N 15 120.76 . . 1 . . . A 163 ALA N . 34093 2 287 . 1 1 164 164 LEU H H 1 8.48 . . 1 . . . A 164 LEU H . 34093 2 288 . 1 1 164 164 LEU N N 15 115.3 . . 1 . . . A 164 LEU N . 34093 2 289 . 1 1 165 165 GLY H H 1 7.68 . . 1 . . . A 165 GLY H . 34093 2 290 . 1 1 165 165 GLY N N 15 107.6 . . 1 . . . A 165 GLY N . 34093 2 291 . 1 1 166 166 HIS H H 1 7.82 . . 1 . . . A 166 HIS H . 34093 2 292 . 1 1 166 166 HIS N N 15 117.42 . . 1 . . . A 166 HIS N . 34093 2 293 . 1 1 167 167 PHE H H 1 8.74 . . 1 . . . A 167 PHE H . 34093 2 294 . 1 1 167 167 PHE N N 15 112.45 . . 1 . . . A 167 PHE N . 34093 2 295 . 1 1 168 168 LYS H H 1 7.03 . . 1 . . . A 168 LYS H . 34093 2 296 . 1 1 168 168 LYS N N 15 112.93 . . 1 . . . A 168 LYS N . 34093 2 297 . 1 1 169 169 ASN H H 1 7.03 . . 1 . . . A 169 ASN H . 34093 2 298 . 1 1 169 169 ASN N N 15 117.95 . . 1 . . . A 169 ASN N . 34093 2 299 . 1 1 170 170 TRP H H 1 7.58 . . 1 . . . A 170 TRP H . 34093 2 300 . 1 1 170 170 TRP N N 15 121.91 . . 1 . . . A 170 TRP N . 34093 2 301 . 1 1 174 174 ASP H H 1 7.78 . . 1 . . . A 174 ASP H . 34093 2 302 . 1 1 174 174 ASP N N 15 119.5 . . 1 . . . A 174 ASP N . 34093 2 303 . 1 1 175 175 ASN H H 1 7.67 . . 1 . . . A 175 ASN H . 34093 2 304 . 1 1 175 175 ASN N N 15 112.35 . . 1 . . . A 175 ASN N . 34093 2 305 . 1 1 176 176 LEU H H 1 7.53 . . 1 . . . A 176 LEU H . 34093 2 306 . 1 1 176 176 LEU N N 15 125.47 . . 1 . . . A 176 LEU N . 34093 2 307 . 1 1 177 177 THR H H 1 8.47 . . 1 . . . A 177 THR H . 34093 2 308 . 1 1 177 177 THR N N 15 120.22 . . 1 . . . A 177 THR N . 34093 2 309 . 1 1 178 178 HIS H H 1 9 . . 1 . . . A 178 HIS H . 34093 2 310 . 1 1 178 178 HIS N N 15 122.94 . . 1 . . . A 178 HIS N . 34093 2 311 . 1 1 179 179 VAL H H 1 8.23 . . 1 . . . A 179 VAL H . 34093 2 312 . 1 1 179 179 VAL N N 15 123.9 . . 1 . . . A 179 VAL N . 34093 2 313 . 1 1 180 180 LEU H H 1 8.09 . . 1 . . . A 180 LEU H . 34093 2 314 . 1 1 180 180 LEU N N 15 118.66 . . 1 . . . A 180 LEU N . 34093 2 315 . 1 1 181 181 ASN H H 1 7.77 . . 1 . . . A 181 ASN H . 34093 2 316 . 1 1 181 181 ASN N N 15 118.2 . . 1 . . . A 181 ASN N . 34093 2 317 . 1 1 182 182 TYR H H 1 7.84 . . 1 . . . A 182 TYR H . 34093 2 318 . 1 1 182 182 TYR N N 15 122.97 . . 1 . . . A 182 TYR N . 34093 2 319 . 1 1 183 183 ILE H H 1 8 . . 1 . . . A 183 ILE H . 34093 2 320 . 1 1 183 183 ILE N N 15 115.11 . . 1 . . . A 183 ILE N . 34093 2 321 . 1 1 184 184 LYS H H 1 7.11 . . 1 . . . A 184 LYS H . 34093 2 322 . 1 1 184 184 LYS N N 15 119.38 . . 1 . . . A 184 LYS N . 34093 2 323 . 1 1 185 185 LEU H H 1 7.68 . . 1 . . . A 185 LEU H . 34093 2 324 . 1 1 185 185 LEU N N 15 119.62 . . 1 . . . A 185 LEU N . 34093 2 325 . 1 1 186 186 LEU H H 1 8.14 . . 1 . . . A 186 LEU H . 34093 2 326 . 1 1 186 186 LEU N N 15 119.43 . . 1 . . . A 186 LEU N . 34093 2 327 . 1 1 187 187 PHE H H 1 8.32 . . 1 . . . A 187 PHE H . 34093 2 328 . 1 1 187 187 PHE N N 15 114.67 . . 1 . . . A 187 PHE N . 34093 2 329 . 1 1 188 188 SER H H 1 7.16 . . 1 . . . A 188 SER H . 34093 2 330 . 1 1 188 188 SER N N 15 109.75 . . 1 . . . A 188 SER N . 34093 2 331 . 1 1 189 189 ARG H H 1 7.22 . . 1 . . . A 189 ARG H . 34093 2 332 . 1 1 189 189 ARG N N 15 122.75 . . 1 . . . A 189 ARG N . 34093 2 333 . 1 1 190 190 GLU H H 1 9.02 . . 1 . . . A 190 GLU H . 34093 2 334 . 1 1 190 190 GLU N N 15 125.39 . . 1 . . . A 190 GLU N . 34093 2 335 . 1 1 191 191 SER H H 1 8.44 . . 1 . . . A 191 SER H . 34093 2 336 . 1 1 191 191 SER N N 15 112.41 . . 1 . . . A 191 SER N . 34093 2 337 . 1 1 192 192 PHE H H 1 6.83 . . 1 . . . A 192 PHE H . 34093 2 338 . 1 1 192 192 PHE N N 15 126.1 . . 1 . . . A 192 PHE N . 34093 2 339 . 1 1 193 193 LYS H H 1 8.18 . . 1 . . . A 193 LYS H . 34093 2 340 . 1 1 193 193 LYS N N 15 118.73 . . 1 . . . A 193 LYS N . 34093 2 341 . 1 1 194 194 LYS H H 1 7.94 . . 1 . . . A 194 LYS H . 34093 2 342 . 1 1 194 194 LYS N N 15 114.06 . . 1 . . . A 194 LYS N . 34093 2 343 . 1 1 195 195 THR H H 1 6.89 . . 1 . . . A 195 THR H . 34093 2 344 . 1 1 195 195 THR N N 15 104.88 . . 1 . . . A 195 THR N . 34093 2 345 . 1 1 196 196 ARG H H 1 6.76 . . 1 . . . A 196 ARG H . 34093 2 346 . 1 1 196 196 ARG N N 15 121.23 . . 1 . . . A 196 ARG N . 34093 2 347 . 1 1 197 197 ALA H H 1 7.86 . . 1 . . . A 197 ALA H . 34093 2 348 . 1 1 197 197 ALA N N 15 125.44 . . 1 . . . A 197 ALA N . 34093 2 349 . 1 1 198 198 ALA H H 1 9.15 . . 1 . . . A 198 ALA H . 34093 2 350 . 1 1 198 198 ALA N N 15 125.75 . . 1 . . . A 198 ALA N . 34093 2 351 . 1 1 199 199 GLU H H 1 9.95 . . 1 . . . A 199 GLU H . 34093 2 352 . 1 1 199 199 GLU N N 15 125.17 . . 1 . . . A 199 GLU N . 34093 2 353 . 1 1 200 200 GLU H H 1 9.25 . . 1 . . . A 200 GLU H . 34093 2 354 . 1 1 200 200 GLU N N 15 114.31 . . 1 . . . A 200 GLU N . 34093 2 355 . 1 1 201 201 HIS H H 1 8.53 . . 1 . . . A 201 HIS H . 34093 2 356 . 1 1 201 201 HIS N N 15 116.11 . . 1 . . . A 201 HIS N . 34093 2 357 . 1 1 202 202 VAL H H 1 7.53 . . 1 . . . A 202 VAL H . 34093 2 358 . 1 1 202 202 VAL N N 15 125.47 . . 1 . . . A 202 VAL N . 34093 2 359 . 1 1 203 203 ILE H H 1 7.77 . . 1 . . . A 203 ILE H . 34093 2 360 . 1 1 203 203 ILE N N 15 118.2 . . 1 . . . A 203 ILE N . 34093 2 361 . 1 1 204 204 ALA H H 1 7.73 . . 1 . . . A 204 ALA H . 34093 2 362 . 1 1 204 204 ALA N N 15 119.13 . . 1 . . . A 204 ALA N . 34093 2 363 . 1 1 205 205 GLY H H 1 7.7 . . 1 . . . A 205 GLY H . 34093 2 364 . 1 1 205 205 GLY N N 15 104.15 . . 1 . . . A 205 GLY N . 34093 2 365 . 1 1 206 206 TRP H H 1 7.67 . . 1 . . . A 206 TRP H . 34093 2 366 . 1 1 206 206 TRP N N 15 118.89 . . 1 . . . A 206 TRP N . 34093 2 367 . 1 1 207 207 GLU H H 1 7.77 . . 1 . . . A 207 GLU H . 34093 2 368 . 1 1 207 207 GLU N N 15 118.2 . . 1 . . . A 207 GLU N . 34093 2 369 . 1 1 209 209 LYS H H 1 7.61 . . 1 . . . A 209 LYS H . 34093 2 370 . 1 1 209 209 LYS N N 15 115.92 . . 1 . . . A 209 LYS N . 34093 2 371 . 1 1 211 211 ASN H H 1 8.29 . . 1 . . . A 211 ASN H . 34093 2 372 . 1 1 211 211 ASN N N 15 115.65 . . 1 . . . A 211 ASN N . 34093 2 373 . 1 1 212 212 ALA H H 1 7.91 . . 1 . . . A 212 ALA H . 34093 2 374 . 1 1 212 212 ALA N N 15 123.12 . . 1 . . . A 212 ALA N . 34093 2 stop_ save_