data_51291 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51291 _Entry.Title ; Amide NH assignments of the Q92C mutant of the armadillo designed protein A4M4A tagged with the diamagnetic PCS tag Lu-4R4S-DOTA-M7 and their corresponding PCSs upon tagging with the paramagnetic tag Tm-4R4S_DOTA-M7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-25 _Entry.Accession_date 2022-01-25 _Entry.Last_release_date 2022-01-25 _Entry.Original_release_date 2022-01-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Stefano Cucuzza . . . . 51291 2 Oliver Zerbe . . . . 51291 3 Erich Michel . . . . 51291 4 Andreas Pluckthun . . . . 51291 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51291 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 218 51291 '1H chemical shifts' 217 51291 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-01-30 2022-01-25 update BMRB 'update entry citation' 51291 1 . . 2022-05-31 2022-01-25 original author 'original release' 51291 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51290 'S221C mutant of A4M4A' 51291 BMRB 51292 'E15C mutant of A4M4A' 51291 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51291 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35657362 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 62 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 318 _Citation.Page_last 329 _Citation.Year 2023 _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 Erich Michel . . . . 51291 1 2 Stefano Cucuzza . . . . 51291 1 3 Peer Mittl . . . . 51291 1 4 Oliver Zerbe . . . . 51291 1 5 Andreas Pluckthun . . . . 51291 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51291 _Assembly.ID 1 _Assembly.Name 'Q92C A4M4A Lu/Tm-4R4S-DOTA-M7' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic yes _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; This molecular assembly contains the protein (A4M4A) tagged with the dia- (Lu-) or paramagnetic (Tm) version of the PCS-trigger tag (4R4S-DOTA-M7) without the peptide ligand (KR4). ; _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 Q92C_A4M4A 1 $entity_1 . . yes native no no . . . 51291 1 2 Lu-4R4S-DOTA-M7 2 $entity_2 . . no native no no . . . 51291 1 3 Tm-4R4S-DOTA-M7 3 $entity_3 . . no native no no . . . 51291 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51291 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PDLPKLVKLLKSSNEEILLK ALRALAEIASGGNEQIQAVI DAGALPALVQLLSSPNEQIL QEALWALSNIASGGNEQIQA VIDAGALPALVCLLSSPNEQ ILQEALWALSNIASGGNEQI QAVIDAGALPALVQLLSSPN EQILQEALWALSNIASGGNE QIQAVIDAGALPALVQLLSS PNEQILQEALWALSNIASGG NEQKQAVKEAGALEKLEQLQ SHENEKIQKEAQEALEKLQS H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 241 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation Q92C _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25361.78 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PRO . 51291 1 2 . ASP . 51291 1 3 . LEU . 51291 1 4 . PRO . 51291 1 5 . LYS . 51291 1 6 . LEU . 51291 1 7 . VAL . 51291 1 8 . LYS . 51291 1 9 . LEU . 51291 1 10 . LEU . 51291 1 11 . LYS . 51291 1 12 . SER . 51291 1 13 . SER . 51291 1 14 . ASN . 51291 1 15 . GLU . 51291 1 16 . GLU . 51291 1 17 . ILE . 51291 1 18 . LEU . 51291 1 19 . LEU . 51291 1 20 . LYS . 51291 1 21 . ALA . 51291 1 22 . LEU . 51291 1 23 . ARG . 51291 1 24 . ALA . 51291 1 25 . LEU . 51291 1 26 . ALA . 51291 1 27 . GLU . 51291 1 28 . ILE . 51291 1 29 . ALA . 51291 1 30 . SER . 51291 1 31 . GLY . 51291 1 32 . GLY . 51291 1 33 . ASN . 51291 1 34 . GLU . 51291 1 35 . GLN . 51291 1 36 . ILE . 51291 1 37 . GLN . 51291 1 38 . ALA . 51291 1 39 . VAL . 51291 1 40 . ILE . 51291 1 41 . ASP . 51291 1 42 . ALA . 51291 1 43 . GLY . 51291 1 44 . ALA . 51291 1 45 . LEU . 51291 1 46 . PRO . 51291 1 47 . ALA . 51291 1 48 . LEU . 51291 1 49 . VAL . 51291 1 50 . GLN . 51291 1 51 . LEU . 51291 1 52 . LEU . 51291 1 53 . SER . 51291 1 54 . SER . 51291 1 55 . PRO . 51291 1 56 . ASN . 51291 1 57 . GLU . 51291 1 58 . GLN . 51291 1 59 . ILE . 51291 1 60 . LEU . 51291 1 61 . GLN . 51291 1 62 . GLU . 51291 1 63 . ALA . 51291 1 64 . LEU . 51291 1 65 . TRP . 51291 1 66 . ALA . 51291 1 67 . LEU . 51291 1 68 . SER . 51291 1 69 . ASN . 51291 1 70 . ILE . 51291 1 71 . ALA . 51291 1 72 . SER . 51291 1 73 . GLY . 51291 1 74 . GLY . 51291 1 75 . ASN . 51291 1 76 . GLU . 51291 1 77 . GLN . 51291 1 78 . ILE . 51291 1 79 . GLN . 51291 1 80 . ALA . 51291 1 81 . VAL . 51291 1 82 . ILE . 51291 1 83 . ASP . 51291 1 84 . ALA . 51291 1 85 . GLY . 51291 1 86 . ALA . 51291 1 87 . LEU . 51291 1 88 . PRO . 51291 1 89 . ALA . 51291 1 90 . LEU . 51291 1 91 . VAL . 51291 1 92 . CYS . 51291 1 93 . LEU . 51291 1 94 . LEU . 51291 1 95 . SER . 51291 1 96 . SER . 51291 1 97 . PRO . 51291 1 98 . ASN . 51291 1 99 . GLU . 51291 1 100 . GLN . 51291 1 101 . ILE . 51291 1 102 . LEU . 51291 1 103 . GLN . 51291 1 104 . GLU . 51291 1 105 . ALA . 51291 1 106 . LEU . 51291 1 107 . TRP . 51291 1 108 . ALA . 51291 1 109 . LEU . 51291 1 110 . SER . 51291 1 111 . ASN . 51291 1 112 . ILE . 51291 1 113 . ALA . 51291 1 114 . SER . 51291 1 115 . GLY . 51291 1 116 . GLY . 51291 1 117 . ASN . 51291 1 118 . GLU . 51291 1 119 . GLN . 51291 1 120 . ILE . 51291 1 121 . GLN . 51291 1 122 . ALA . 51291 1 123 . VAL . 51291 1 124 . ILE . 51291 1 125 . ASP . 51291 1 126 . ALA . 51291 1 127 . GLY . 51291 1 128 . ALA . 51291 1 129 . LEU . 51291 1 130 . PRO . 51291 1 131 . ALA . 51291 1 132 . LEU . 51291 1 133 . VAL . 51291 1 134 . GLN . 51291 1 135 . LEU . 51291 1 136 . LEU . 51291 1 137 . SER . 51291 1 138 . SER . 51291 1 139 . PRO . 51291 1 140 . ASN . 51291 1 141 . GLU . 51291 1 142 . GLN . 51291 1 143 . ILE . 51291 1 144 . LEU . 51291 1 145 . GLN . 51291 1 146 . GLU . 51291 1 147 . ALA . 51291 1 148 . LEU . 51291 1 149 . TRP . 51291 1 150 . ALA . 51291 1 151 . LEU . 51291 1 152 . SER . 51291 1 153 . ASN . 51291 1 154 . ILE . 51291 1 155 . ALA . 51291 1 156 . SER . 51291 1 157 . GLY . 51291 1 158 . GLY . 51291 1 159 . ASN . 51291 1 160 . GLU . 51291 1 161 . GLN . 51291 1 162 . ILE . 51291 1 163 . GLN . 51291 1 164 . ALA . 51291 1 165 . VAL . 51291 1 166 . ILE . 51291 1 167 . ASP . 51291 1 168 . ALA . 51291 1 169 . GLY . 51291 1 170 . ALA . 51291 1 171 . LEU . 51291 1 172 . PRO . 51291 1 173 . ALA . 51291 1 174 . LEU . 51291 1 175 . VAL . 51291 1 176 . GLN . 51291 1 177 . LEU . 51291 1 178 . LEU . 51291 1 179 . SER . 51291 1 180 . SER . 51291 1 181 . PRO . 51291 1 182 . ASN . 51291 1 183 . GLU . 51291 1 184 . GLN . 51291 1 185 . ILE . 51291 1 186 . LEU . 51291 1 187 . GLN . 51291 1 188 . GLU . 51291 1 189 . ALA . 51291 1 190 . LEU . 51291 1 191 . TRP . 51291 1 192 . ALA . 51291 1 193 . LEU . 51291 1 194 . SER . 51291 1 195 . ASN . 51291 1 196 . ILE . 51291 1 197 . ALA . 51291 1 198 . SER . 51291 1 199 . GLY . 51291 1 200 . GLY . 51291 1 201 . ASN . 51291 1 202 . GLU . 51291 1 203 . GLN . 51291 1 204 . LYS . 51291 1 205 . GLN . 51291 1 206 . ALA . 51291 1 207 . VAL . 51291 1 208 . LYS . 51291 1 209 . GLU . 51291 1 210 . ALA . 51291 1 211 . GLY . 51291 1 212 . ALA . 51291 1 213 . LEU . 51291 1 214 . GLU . 51291 1 215 . LYS . 51291 1 216 . LEU . 51291 1 217 . GLU . 51291 1 218 . GLN . 51291 1 219 . LEU . 51291 1 220 . GLN . 51291 1 221 . SER . 51291 1 222 . HIS . 51291 1 223 . GLU . 51291 1 224 . ASN . 51291 1 225 . GLU . 51291 1 226 . LYS . 51291 1 227 . ILE . 51291 1 228 . GLN . 51291 1 229 . LYS . 51291 1 230 . GLU . 51291 1 231 . ALA . 51291 1 232 . GLN . 51291 1 233 . GLU . 51291 1 234 . ALA . 51291 1 235 . LEU . 51291 1 236 . GLU . 51291 1 237 . LYS . 51291 1 238 . LEU . 51291 1 239 . GLN . 51291 1 240 . SER . 51291 1 241 . HIS . 51291 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 . PRO 1 1 51291 1 . ASP 2 2 51291 1 . LEU 3 3 51291 1 . PRO 4 4 51291 1 . LYS 5 5 51291 1 . LEU 6 6 51291 1 . VAL 7 7 51291 1 . LYS 8 8 51291 1 . LEU 9 9 51291 1 . LEU 10 10 51291 1 . LYS 11 11 51291 1 . SER 12 12 51291 1 . SER 13 13 51291 1 . ASN 14 14 51291 1 . GLU 15 15 51291 1 . GLU 16 16 51291 1 . ILE 17 17 51291 1 . LEU 18 18 51291 1 . LEU 19 19 51291 1 . LYS 20 20 51291 1 . ALA 21 21 51291 1 . LEU 22 22 51291 1 . ARG 23 23 51291 1 . ALA 24 24 51291 1 . LEU 25 25 51291 1 . ALA 26 26 51291 1 . GLU 27 27 51291 1 . ILE 28 28 51291 1 . ALA 29 29 51291 1 . SER 30 30 51291 1 . GLY 31 31 51291 1 . GLY 32 32 51291 1 . ASN 33 33 51291 1 . GLU 34 34 51291 1 . GLN 35 35 51291 1 . ILE 36 36 51291 1 . GLN 37 37 51291 1 . ALA 38 38 51291 1 . VAL 39 39 51291 1 . ILE 40 40 51291 1 . ASP 41 41 51291 1 . ALA 42 42 51291 1 . GLY 43 43 51291 1 . ALA 44 44 51291 1 . LEU 45 45 51291 1 . PRO 46 46 51291 1 . ALA 47 47 51291 1 . LEU 48 48 51291 1 . VAL 49 49 51291 1 . GLN 50 50 51291 1 . LEU 51 51 51291 1 . LEU 52 52 51291 1 . SER 53 53 51291 1 . SER 54 54 51291 1 . PRO 55 55 51291 1 . ASN 56 56 51291 1 . GLU 57 57 51291 1 . GLN 58 58 51291 1 . ILE 59 59 51291 1 . LEU 60 60 51291 1 . GLN 61 61 51291 1 . GLU 62 62 51291 1 . ALA 63 63 51291 1 . LEU 64 64 51291 1 . TRP 65 65 51291 1 . ALA 66 66 51291 1 . LEU 67 67 51291 1 . SER 68 68 51291 1 . ASN 69 69 51291 1 . ILE 70 70 51291 1 . ALA 71 71 51291 1 . SER 72 72 51291 1 . GLY 73 73 51291 1 . GLY 74 74 51291 1 . ASN 75 75 51291 1 . GLU 76 76 51291 1 . GLN 77 77 51291 1 . ILE 78 78 51291 1 . GLN 79 79 51291 1 . ALA 80 80 51291 1 . VAL 81 81 51291 1 . ILE 82 82 51291 1 . ASP 83 83 51291 1 . ALA 84 84 51291 1 . GLY 85 85 51291 1 . ALA 86 86 51291 1 . LEU 87 87 51291 1 . PRO 88 88 51291 1 . ALA 89 89 51291 1 . LEU 90 90 51291 1 . VAL 91 91 51291 1 . CYS 92 92 51291 1 . LEU 93 93 51291 1 . LEU 94 94 51291 1 . SER 95 95 51291 1 . SER 96 96 51291 1 . PRO 97 97 51291 1 . ASN 98 98 51291 1 . GLU 99 99 51291 1 . GLN 100 100 51291 1 . ILE 101 101 51291 1 . LEU 102 102 51291 1 . GLN 103 103 51291 1 . GLU 104 104 51291 1 . ALA 105 105 51291 1 . LEU 106 106 51291 1 . TRP 107 107 51291 1 . ALA 108 108 51291 1 . LEU 109 109 51291 1 . SER 110 110 51291 1 . ASN 111 111 51291 1 . ILE 112 112 51291 1 . ALA 113 113 51291 1 . SER 114 114 51291 1 . GLY 115 115 51291 1 . GLY 116 116 51291 1 . ASN 117 117 51291 1 . GLU 118 118 51291 1 . GLN 119 119 51291 1 . ILE 120 120 51291 1 . GLN 121 121 51291 1 . ALA 122 122 51291 1 . VAL 123 123 51291 1 . ILE 124 124 51291 1 . ASP 125 125 51291 1 . ALA 126 126 51291 1 . GLY 127 127 51291 1 . ALA 128 128 51291 1 . LEU 129 129 51291 1 . PRO 130 130 51291 1 . ALA 131 131 51291 1 . LEU 132 132 51291 1 . VAL 133 133 51291 1 . GLN 134 134 51291 1 . LEU 135 135 51291 1 . LEU 136 136 51291 1 . SER 137 137 51291 1 . SER 138 138 51291 1 . PRO 139 139 51291 1 . ASN 140 140 51291 1 . GLU 141 141 51291 1 . GLN 142 142 51291 1 . ILE 143 143 51291 1 . LEU 144 144 51291 1 . GLN 145 145 51291 1 . GLU 146 146 51291 1 . ALA 147 147 51291 1 . LEU 148 148 51291 1 . TRP 149 149 51291 1 . ALA 150 150 51291 1 . LEU 151 151 51291 1 . SER 152 152 51291 1 . ASN 153 153 51291 1 . ILE 154 154 51291 1 . ALA 155 155 51291 1 . SER 156 156 51291 1 . GLY 157 157 51291 1 . GLY 158 158 51291 1 . ASN 159 159 51291 1 . GLU 160 160 51291 1 . GLN 161 161 51291 1 . ILE 162 162 51291 1 . GLN 163 163 51291 1 . ALA 164 164 51291 1 . VAL 165 165 51291 1 . ILE 166 166 51291 1 . ASP 167 167 51291 1 . ALA 168 168 51291 1 . GLY 169 169 51291 1 . ALA 170 170 51291 1 . LEU 171 171 51291 1 . PRO 172 172 51291 1 . ALA 173 173 51291 1 . LEU 174 174 51291 1 . VAL 175 175 51291 1 . GLN 176 176 51291 1 . LEU 177 177 51291 1 . LEU 178 178 51291 1 . SER 179 179 51291 1 . SER 180 180 51291 1 . PRO 181 181 51291 1 . ASN 182 182 51291 1 . GLU 183 183 51291 1 . GLN 184 184 51291 1 . ILE 185 185 51291 1 . LEU 186 186 51291 1 . GLN 187 187 51291 1 . GLU 188 188 51291 1 . ALA 189 189 51291 1 . LEU 190 190 51291 1 . TRP 191 191 51291 1 . ALA 192 192 51291 1 . LEU 193 193 51291 1 . SER 194 194 51291 1 . ASN 195 195 51291 1 . ILE 196 196 51291 1 . ALA 197 197 51291 1 . SER 198 198 51291 1 . GLY 199 199 51291 1 . GLY 200 200 51291 1 . ASN 201 201 51291 1 . GLU 202 202 51291 1 . GLN 203 203 51291 1 . LYS 204 204 51291 1 . GLN 205 205 51291 1 . ALA 206 206 51291 1 . VAL 207 207 51291 1 . LYS 208 208 51291 1 . GLU 209 209 51291 1 . ALA 210 210 51291 1 . GLY 211 211 51291 1 . ALA 212 212 51291 1 . LEU 213 213 51291 1 . GLU 214 214 51291 1 . LYS 215 215 51291 1 . LEU 216 216 51291 1 . GLU 217 217 51291 1 . GLN 218 218 51291 1 . LEU 219 219 51291 1 . GLN 220 220 51291 1 . SER 221 221 51291 1 . HIS 222 222 51291 1 . GLU 223 223 51291 1 . ASN 224 224 51291 1 . GLU 225 225 51291 1 . LYS 226 226 51291 1 . ILE 227 227 51291 1 . GLN 228 228 51291 1 . LYS 229 229 51291 1 . GLU 230 230 51291 1 . ALA 231 231 51291 1 . GLN 232 232 51291 1 . GLU 233 233 51291 1 . ALA 234 234 51291 1 . LEU 235 235 51291 1 . GLU 236 236 51291 1 . LYS 237 237 51291 1 . LEU 238 238 51291 1 . GLN 239 239 51291 1 . SER 240 240 51291 1 . HIS 241 241 51291 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51291 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51291 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51291 _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 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 51291 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51291 _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' . . . Escherichia coli BL21 DE3 . plasmid . . pEM3BT2 . . . 51291 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_1 _Chem_comp.Entry_ID 51291 _Chem_comp.ID 1 _Chem_comp.Provenance . _Chem_comp.Name Lu-4R4S-DOTA-M7 _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula - _Chem_comp.Formula_weight . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ save_chem_comp_2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_2 _Chem_comp.Entry_ID 51291 _Chem_comp.ID 2 _Chem_comp.Provenance . _Chem_comp.Name Tm-4R4S-DOTA-M7 _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic yes _Chem_comp.Aromatic no _Chem_comp.Formula - _Chem_comp.Formula_weight . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51291 _Sample.ID 1 _Sample.Name Q92C_A4M4A_apo_Lu _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Diamagnetic, without ligand' _Sample.Aggregate_sample_number 1 _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 Q92C_A4M4A '[U-99% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51291 1 2 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 51291 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51291 1 4 TMSP 'natural abundance' . . . . . . 2 . . mM . . . . 51291 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51291 _Sample.ID 2 _Sample.Name Q92C_A4M4A_apo_Tm _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Paramagnetic, without ligand' _Sample.Aggregate_sample_number 1 _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 Q92C_A4M4A '[U-99% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51291 2 2 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 51291 2 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51291 2 4 TMSP 'natural abundance' . . . . . . 2 . . mM . . . . 51291 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 51291 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 51291 1 pressure 1 . atm 51291 1 temperature 293 . K 51291 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51291 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51291 1 processing . 51291 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51291 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51291 2 'data analysis' . 51291 2 'peak picking' . 51291 2 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 51291 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AV601 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51291 _Experiment_list.ID 1 _Experiment_list.Details 'A 2D 1H-15N HSQC was recorded for each sample. 3D 1H-15N NOESY were recorded only for diamagnetic samples.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51291 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51291 1 3 '3D 1H-15N NOESY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51291 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 51291 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'TMSP internal reference' _Chem_shift_reference.Details '2 mM TMSP was used to directly reference the proton dimension (0 ppm) and indirectly reference the nitrogen dimension.' 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 TMSP protons . . . . ppm 0 internal direct 1 . . . . . 51291 1 N 15 TMSP nitrogen . . . . ppm 0 internal indirect 1 . . . . . 51291 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 51291 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Q92C_A4M4A_apo_Lu _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 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.005 _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' . . . 51291 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51291 1 2 $software_2 . . 51291 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 8.618 0.002 . . . . . . . 3 LEU H . 51291 1 2 . 1 . 1 3 3 LEU N N 15 124.208 0.005 . . . . . . . 3 LEU N . 51291 1 3 . 1 . 1 5 5 LYS H H 1 7.449 0.002 . . . . . . . 5 LYS H . 51291 1 4 . 1 . 1 5 5 LYS N N 15 117.334 0.005 . . . . . . . 5 LYS N . 51291 1 5 . 1 . 1 6 6 LEU H H 1 7.900 0.002 . . . . . . . 6 LEU H . 51291 1 6 . 1 . 1 6 6 LEU N N 15 119.578 0.005 . . . . . . . 6 LEU N . 51291 1 7 . 1 . 1 7 7 VAL H H 1 8.242 0.002 . . . . . . . 7 VAL H . 51291 1 8 . 1 . 1 7 7 VAL N N 15 115.538 0.005 . . . . . . . 7 VAL N . 51291 1 9 . 1 . 1 8 8 LYS H H 1 7.658 0.002 . . . . . . . 8 LYS H . 51291 1 10 . 1 . 1 8 8 LYS N N 15 120.607 0.005 . . . . . . . 8 LYS N . 51291 1 11 . 1 . 1 9 9 LEU H H 1 7.870 0.002 . . . . . . . 9 LEU H . 51291 1 12 . 1 . 1 9 9 LEU N N 15 120.230 0.005 . . . . . . . 9 LEU N . 51291 1 13 . 1 . 1 10 10 LEU H H 1 7.444 0.002 . . . . . . . 10 LEU H . 51291 1 14 . 1 . 1 10 10 LEU N N 15 116.391 0.005 . . . . . . . 10 LEU N . 51291 1 15 . 1 . 1 11 11 LYS H H 1 7.251 0.002 . . . . . . . 11 LYS H . 51291 1 16 . 1 . 1 11 11 LYS N N 15 114.980 0.005 . . . . . . . 11 LYS N . 51291 1 17 . 1 . 1 12 12 SER H H 1 7.581 0.002 . . . . . . . 12 SER H . 51291 1 18 . 1 . 1 12 12 SER N N 15 115.225 0.005 . . . . . . . 12 SER N . 51291 1 19 . 1 . 1 15 15 GLU H H 1 9.143 0.002 . . . . . . . 15 GLU H . 51291 1 20 . 1 . 1 15 15 GLU N N 15 126.968 0.005 . . . . . . . 15 GLU N . 51291 1 21 . 1 . 1 16 16 GLU H H 1 8.200 0.002 . . . . . . . 16 GLU H . 51291 1 22 . 1 . 1 16 16 GLU N N 15 118.041 0.005 . . . . . . . 16 GLU N . 51291 1 23 . 1 . 1 17 17 ILE H H 1 7.466 0.002 . . . . . . . 17 ILE H . 51291 1 24 . 1 . 1 17 17 ILE N N 15 120.530 0.005 . . . . . . . 17 ILE N . 51291 1 25 . 1 . 1 20 20 LYS H H 1 7.646 0.002 . . . . . . . 20 LYS H . 51291 1 26 . 1 . 1 20 20 LYS N N 15 118.164 0.005 . . . . . . . 20 LYS N . 51291 1 27 . 1 . 1 21 21 ALA H H 1 8.258 0.002 . . . . . . . 21 ALA H . 51291 1 28 . 1 . 1 21 21 ALA N N 15 124.172 0.005 . . . . . . . 21 ALA N . 51291 1 29 . 1 . 1 22 22 LEU H H 1 8.782 0.002 . . . . . . . 22 LEU H . 51291 1 30 . 1 . 1 22 22 LEU N N 15 117.645 0.005 . . . . . . . 22 LEU N . 51291 1 31 . 1 . 1 23 23 ARG H H 1 8.193 0.002 . . . . . . . 23 ARG H . 51291 1 32 . 1 . 1 23 23 ARG N N 15 118.238 0.005 . . . . . . . 23 ARG N . 51291 1 33 . 1 . 1 24 24 ALA H H 1 7.786 0.002 . . . . . . . 24 ALA H . 51291 1 34 . 1 . 1 24 24 ALA N N 15 121.813 0.005 . . . . . . . 24 ALA N . 51291 1 35 . 1 . 1 25 25 LEU H H 1 8.459 0.002 . . . . . . . 25 LEU H . 51291 1 36 . 1 . 1 25 25 LEU N N 15 119.518 0.005 . . . . . . . 25 LEU N . 51291 1 37 . 1 . 1 26 26 ALA H H 1 8.669 0.002 . . . . . . . 26 ALA H . 51291 1 38 . 1 . 1 26 26 ALA N N 15 121.750 0.005 . . . . . . . 26 ALA N . 51291 1 39 . 1 . 1 27 27 GLU H H 1 7.870 0.002 . . . . . . . 27 GLU H . 51291 1 40 . 1 . 1 27 27 GLU N N 15 117.174 0.005 . . . . . . . 27 GLU N . 51291 1 41 . 1 . 1 29 29 ALA H H 1 8.231 0.002 . . . . . . . 29 ALA H . 51291 1 42 . 1 . 1 29 29 ALA N N 15 119.429 0.005 . . . . . . . 29 ALA N . 51291 1 43 . 1 . 1 30 30 SER H H 1 7.491 0.002 . . . . . . . 30 SER H . 51291 1 44 . 1 . 1 30 30 SER N N 15 111.223 0.005 . . . . . . . 30 SER N . 51291 1 45 . 1 . 1 31 31 GLY H H 1 8.010 0.002 . . . . . . . 31 GLY H . 51291 1 46 . 1 . 1 31 31 GLY N N 15 108.683 0.005 . . . . . . . 31 GLY N . 51291 1 47 . 1 . 1 32 32 GLY H H 1 8.004 0.002 . . . . . . . 32 GLY H . 51291 1 48 . 1 . 1 32 32 GLY N N 15 108.275 0.005 . . . . . . . 32 GLY N . 51291 1 49 . 1 . 1 35 35 GLN H H 1 7.800 0.002 . . . . . . . 35 GLN H . 51291 1 50 . 1 . 1 35 35 GLN N N 15 120.825 0.005 . . . . . . . 35 GLN N . 51291 1 51 . 1 . 1 36 36 ILE H H 1 8.207 0.002 . . . . . . . 36 ILE H . 51291 1 52 . 1 . 1 36 36 ILE N N 15 119.556 0.005 . . . . . . . 36 ILE N . 51291 1 53 . 1 . 1 37 37 GLN H H 1 8.198 0.002 . . . . . . . 37 GLN H . 51291 1 54 . 1 . 1 37 37 GLN N N 15 118.089 0.005 . . . . . . . 37 GLN N . 51291 1 55 . 1 . 1 38 38 ALA H H 1 7.631 0.002 . . . . . . . 38 ALA H . 51291 1 56 . 1 . 1 38 38 ALA N N 15 120.822 0.005 . . . . . . . 38 ALA N . 51291 1 57 . 1 . 1 39 39 VAL H H 1 7.815 0.002 . . . . . . . 39 VAL H . 51291 1 58 . 1 . 1 39 39 VAL N N 15 119.146 0.005 . . . . . . . 39 VAL N . 51291 1 59 . 1 . 1 40 40 ILE H H 1 7.952 0.002 . . . . . . . 40 ILE H . 51291 1 60 . 1 . 1 40 40 ILE N N 15 120.083 0.005 . . . . . . . 40 ILE N . 51291 1 61 . 1 . 1 41 41 ASP H H 1 9.492 0.002 . . . . . . . 41 ASP H . 51291 1 62 . 1 . 1 41 41 ASP N N 15 123.586 0.005 . . . . . . . 41 ASP N . 51291 1 63 . 1 . 1 42 42 ALA H H 1 7.608 0.002 . . . . . . . 42 ALA H . 51291 1 64 . 1 . 1 42 42 ALA N N 15 119.537 0.005 . . . . . . . 42 ALA N . 51291 1 65 . 1 . 1 43 43 GLY H H 1 8.140 0.002 . . . . . . . 43 GLY H . 51291 1 66 . 1 . 1 43 43 GLY N N 15 104.538 0.005 . . . . . . . 43 GLY N . 51291 1 67 . 1 . 1 44 44 ALA H H 1 7.235 0.002 . . . . . . . 44 ALA H . 51291 1 68 . 1 . 1 44 44 ALA N N 15 117.399 0.005 . . . . . . . 44 ALA N . 51291 1 69 . 1 . 1 45 45 LEU H H 1 9.294 0.002 . . . . . . . 45 LEU H . 51291 1 70 . 1 . 1 45 45 LEU N N 15 113.720 0.005 . . . . . . . 45 LEU N . 51291 1 71 . 1 . 1 47 47 ALA H H 1 6.897 0.002 . . . . . . . 47 ALA H . 51291 1 72 . 1 . 1 47 47 ALA N N 15 118.652 0.005 . . . . . . . 47 ALA N . 51291 1 73 . 1 . 1 48 48 LEU H H 1 8.191 0.002 . . . . . . . 48 LEU H . 51291 1 74 . 1 . 1 48 48 LEU N N 15 118.090 0.005 . . . . . . . 48 LEU N . 51291 1 75 . 1 . 1 49 49 VAL H H 1 8.388 0.002 . . . . . . . 49 VAL H . 51291 1 76 . 1 . 1 49 49 VAL N N 15 115.905 0.005 . . . . . . . 49 VAL N . 51291 1 77 . 1 . 1 50 50 GLN H H 1 7.798 0.002 . . . . . . . 50 GLN H . 51291 1 78 . 1 . 1 50 50 GLN N N 15 120.329 0.005 . . . . . . . 50 GLN N . 51291 1 79 . 1 . 1 51 51 LEU H H 1 7.802 0.002 . . . . . . . 51 LEU H . 51291 1 80 . 1 . 1 51 51 LEU N N 15 120.082 0.005 . . . . . . . 51 LEU N . 51291 1 81 . 1 . 1 52 52 LEU H H 1 7.528 0.002 . . . . . . . 52 LEU H . 51291 1 82 . 1 . 1 52 52 LEU N N 15 116.608 0.005 . . . . . . . 52 LEU N . 51291 1 83 . 1 . 1 53 53 SER H H 1 7.470 0.002 . . . . . . . 53 SER H . 51291 1 84 . 1 . 1 53 53 SER N N 15 111.158 0.005 . . . . . . . 53 SER N . 51291 1 85 . 1 . 1 54 54 SER H H 1 7.597 0.002 . . . . . . . 54 SER H . 51291 1 86 . 1 . 1 54 54 SER N N 15 118.373 0.005 . . . . . . . 54 SER N . 51291 1 87 . 1 . 1 56 56 ASN H H 1 8.333 0.002 . . . . . . . 56 ASN H . 51291 1 88 . 1 . 1 56 56 ASN N N 15 120.501 0.005 . . . . . . . 56 ASN N . 51291 1 89 . 1 . 1 57 57 GLU H H 1 9.046 0.002 . . . . . . . 57 GLU H . 51291 1 90 . 1 . 1 57 57 GLU N N 15 126.153 0.005 . . . . . . . 57 GLU N . 51291 1 91 . 1 . 1 58 58 GLN H H 1 8.221 0.002 . . . . . . . 58 GLN H . 51291 1 92 . 1 . 1 58 58 GLN N N 15 119.334 0.005 . . . . . . . 58 GLN N . 51291 1 93 . 1 . 1 59 59 ILE H H 1 7.400 0.002 . . . . . . . 59 ILE H . 51291 1 94 . 1 . 1 59 59 ILE N N 15 121.140 0.005 . . . . . . . 59 ILE N . 51291 1 95 . 1 . 1 60 60 LEU H H 1 8.247 0.002 . . . . . . . 60 LEU H . 51291 1 96 . 1 . 1 60 60 LEU N N 15 120.490 0.005 . . . . . . . 60 LEU N . 51291 1 97 . 1 . 1 61 61 GLN H H 1 8.063 0.002 . . . . . . . 61 GLN H . 51291 1 98 . 1 . 1 61 61 GLN N N 15 115.602 0.005 . . . . . . . 61 GLN N . 51291 1 99 . 1 . 1 62 62 GLU H H 1 7.801 0.002 . . . . . . . 62 GLU H . 51291 1 100 . 1 . 1 62 62 GLU N N 15 118.585 0.005 . . . . . . . 62 GLU N . 51291 1 101 . 1 . 1 63 63 ALA H H 1 8.949 0.002 . . . . . . . 63 ALA H . 51291 1 102 . 1 . 1 63 63 ALA N N 15 122.794 0.005 . . . . . . . 63 ALA N . 51291 1 103 . 1 . 1 64 64 LEU H H 1 8.618 0.002 . . . . . . . 64 LEU H . 51291 1 104 . 1 . 1 64 64 LEU N N 15 117.997 0.005 . . . . . . . 64 LEU N . 51291 1 105 . 1 . 1 65 65 TRP H H 1 8.283 0.002 . . . . . . . 65 TRP H . 51291 1 106 . 1 . 1 65 65 TRP N N 15 122.425 0.005 . . . . . . . 65 TRP N . 51291 1 107 . 1 . 1 66 66 ALA H H 1 8.123 0.002 . . . . . . . 66 ALA H . 51291 1 108 . 1 . 1 66 66 ALA N N 15 120.655 0.005 . . . . . . . 66 ALA N . 51291 1 109 . 1 . 1 67 67 LEU H H 1 8.457 0.002 . . . . . . . 67 LEU H . 51291 1 110 . 1 . 1 67 67 LEU N N 15 116.941 0.005 . . . . . . . 67 LEU N . 51291 1 111 . 1 . 1 68 68 SER H H 1 8.936 0.002 . . . . . . . 68 SER H . 51291 1 112 . 1 . 1 68 68 SER N N 15 115.566 0.005 . . . . . . . 68 SER N . 51291 1 113 . 1 . 1 69 69 ASN H H 1 7.617 0.002 . . . . . . . 69 ASN H . 51291 1 114 . 1 . 1 69 69 ASN N N 15 118.797 0.005 . . . . . . . 69 ASN N . 51291 1 115 . 1 . 1 70 70 ILE H H 1 8.091 0.002 . . . . . . . 70 ILE H . 51291 1 116 . 1 . 1 70 70 ILE N N 15 122.765 0.005 . . . . . . . 70 ILE N . 51291 1 117 . 1 . 1 71 71 ALA H H 1 8.124 0.002 . . . . . . . 71 ALA H . 51291 1 118 . 1 . 1 71 71 ALA N N 15 117.303 0.005 . . . . . . . 71 ALA N . 51291 1 119 . 1 . 1 72 72 SER H H 1 7.506 0.002 . . . . . . . 72 SER H . 51291 1 120 . 1 . 1 72 72 SER N N 15 112.026 0.005 . . . . . . . 72 SER N . 51291 1 121 . 1 . 1 73 73 GLY H H 1 7.698 0.002 . . . . . . . 73 GLY H . 51291 1 122 . 1 . 1 73 73 GLY N N 15 108.759 0.005 . . . . . . . 73 GLY N . 51291 1 123 . 1 . 1 74 74 GLY H H 1 7.967 0.002 . . . . . . . 74 GLY H . 51291 1 124 . 1 . 1 74 74 GLY N N 15 105.304 0.005 . . . . . . . 74 GLY N . 51291 1 125 . 1 . 1 75 75 ASN H H 1 8.913 0.002 . . . . . . . 75 ASN H . 51291 1 126 . 1 . 1 75 75 ASN N N 15 118.759 0.005 . . . . . . . 75 ASN N . 51291 1 127 . 1 . 1 76 76 GLU H H 1 9.304 0.002 . . . . . . . 76 GLU H . 51291 1 128 . 1 . 1 76 76 GLU N N 15 118.650 0.005 . . . . . . . 76 GLU N . 51291 1 129 . 1 . 1 77 77 GLN H H 1 7.496 0.002 . . . . . . . 77 GLN H . 51291 1 130 . 1 . 1 77 77 GLN N N 15 122.073 0.005 . . . . . . . 77 GLN N . 51291 1 131 . 1 . 1 78 78 ILE H H 1 8.266 0.002 . . . . . . . 78 ILE H . 51291 1 132 . 1 . 1 78 78 ILE N N 15 119.491 0.005 . . . . . . . 78 ILE N . 51291 1 133 . 1 . 1 79 79 GLN H H 1 8.391 0.002 . . . . . . . 79 GLN H . 51291 1 134 . 1 . 1 79 79 GLN N N 15 118.099 0.005 . . . . . . . 79 GLN N . 51291 1 135 . 1 . 1 80 80 ALA H H 1 7.461 0.002 . . . . . . . 80 ALA H . 51291 1 136 . 1 . 1 80 80 ALA N N 15 120.578 0.005 . . . . . . . 80 ALA N . 51291 1 137 . 1 . 1 81 81 VAL H H 1 7.666 0.002 . . . . . . . 81 VAL H . 51291 1 138 . 1 . 1 81 81 VAL N N 15 119.194 0.005 . . . . . . . 81 VAL N . 51291 1 139 . 1 . 1 82 82 ILE H H 1 7.911 0.002 . . . . . . . 82 ILE H . 51291 1 140 . 1 . 1 82 82 ILE N N 15 120.045 0.005 . . . . . . . 82 ILE N . 51291 1 141 . 1 . 1 83 83 ASP H H 1 9.505 0.002 . . . . . . . 83 ASP H . 51291 1 142 . 1 . 1 83 83 ASP N N 15 123.825 0.005 . . . . . . . 83 ASP N . 51291 1 143 . 1 . 1 84 84 ALA H H 1 7.551 0.002 . . . . . . . 84 ALA H . 51291 1 144 . 1 . 1 84 84 ALA N N 15 119.556 0.005 . . . . . . . 84 ALA N . 51291 1 145 . 1 . 1 85 85 GLY H H 1 8.127 0.002 . . . . . . . 85 GLY H . 51291 1 146 . 1 . 1 85 85 GLY N N 15 104.467 0.005 . . . . . . . 85 GLY N . 51291 1 147 . 1 . 1 86 86 ALA H H 1 7.237 0.002 . . . . . . . 86 ALA H . 51291 1 148 . 1 . 1 86 86 ALA N N 15 117.389 0.005 . . . . . . . 86 ALA N . 51291 1 149 . 1 . 1 87 87 LEU H H 1 9.293 0.002 . . . . . . . 87 LEU H . 51291 1 150 . 1 . 1 87 87 LEU N N 15 113.747 0.005 . . . . . . . 87 LEU N . 51291 1 151 . 1 . 1 89 89 ALA H H 1 6.897 0.002 . . . . . . . 89 ALA H . 51291 1 152 . 1 . 1 89 89 ALA N N 15 118.403 0.005 . . . . . . . 89 ALA N . 51291 1 153 . 1 . 1 90 90 LEU H H 1 8.272 0.002 . . . . . . . 90 LEU H . 51291 1 154 . 1 . 1 90 90 LEU N N 15 118.248 0.005 . . . . . . . 90 LEU N . 51291 1 155 . 1 . 1 91 91 VAL H H 1 8.394 0.002 . . . . . . . 91 VAL H . 51291 1 156 . 1 . 1 91 91 VAL N N 15 115.896 0.005 . . . . . . . 91 VAL N . 51291 1 157 . 1 . 1 92 92 CYS H H 1 7.973 0.002 . . . . . . . 92 CYS H . 51291 1 158 . 1 . 1 92 92 CYS N N 15 130.992 0.005 . . . . . . . 92 CYS N . 51291 1 159 . 1 . 1 93 93 LEU H H 1 7.829 0.002 . . . . . . . 93 LEU H . 51291 1 160 . 1 . 1 93 93 LEU N N 15 130.596 0.005 . . . . . . . 93 LEU N . 51291 1 161 . 1 . 1 95 95 SER H H 1 6.893 0.002 . . . . . . . 95 SER H . 51291 1 162 . 1 . 1 95 95 SER N N 15 111.734 0.005 . . . . . . . 95 SER N . 51291 1 163 . 1 . 1 98 98 ASN H H 1 8.331 0.002 . . . . . . . 98 ASN H . 51291 1 164 . 1 . 1 98 98 ASN N N 15 120.521 0.005 . . . . . . . 98 ASN N . 51291 1 165 . 1 . 1 99 99 GLU H H 1 9.035 0.002 . . . . . . . 99 GLU H . 51291 1 166 . 1 . 1 99 99 GLU N N 15 126.087 0.005 . . . . . . . 99 GLU N . 51291 1 167 . 1 . 1 100 100 GLN H H 1 8.222 0.002 . . . . . . . 100 GLN H . 51291 1 168 . 1 . 1 100 100 GLN N N 15 119.380 0.005 . . . . . . . 100 GLN N . 51291 1 169 . 1 . 1 101 101 ILE H H 1 7.456 0.002 . . . . . . . 101 ILE H . 51291 1 170 . 1 . 1 101 101 ILE N N 15 121.354 0.005 . . . . . . . 101 ILE N . 51291 1 171 . 1 . 1 102 102 LEU H H 1 8.248 0.002 . . . . . . . 102 LEU H . 51291 1 172 . 1 . 1 102 102 LEU N N 15 120.477 0.005 . . . . . . . 102 LEU N . 51291 1 173 . 1 . 1 103 103 GLN H H 1 8.060 0.002 . . . . . . . 103 GLN H . 51291 1 174 . 1 . 1 103 103 GLN N N 15 115.683 0.005 . . . . . . . 103 GLN N . 51291 1 175 . 1 . 1 104 104 GLU H H 1 7.796 0.002 . . . . . . . 104 GLU H . 51291 1 176 . 1 . 1 104 104 GLU N N 15 118.566 0.005 . . . . . . . 104 GLU N . 51291 1 177 . 1 . 1 105 105 ALA H H 1 8.904 0.002 . . . . . . . 105 ALA H . 51291 1 178 . 1 . 1 105 105 ALA N N 15 123.394 0.005 . . . . . . . 105 ALA N . 51291 1 179 . 1 . 1 106 106 LEU H H 1 8.390 0.002 . . . . . . . 106 LEU H . 51291 1 180 . 1 . 1 106 106 LEU N N 15 118.055 0.005 . . . . . . . 106 LEU N . 51291 1 181 . 1 . 1 107 107 TRP H H 1 8.279 0.002 . . . . . . . 107 TRP H . 51291 1 182 . 1 . 1 107 107 TRP N N 15 122.397 0.005 . . . . . . . 107 TRP N . 51291 1 183 . 1 . 1 108 108 ALA H H 1 8.172 0.002 . . . . . . . 108 ALA H . 51291 1 184 . 1 . 1 108 108 ALA N N 15 120.982 0.005 . . . . . . . 108 ALA N . 51291 1 185 . 1 . 1 109 109 LEU H H 1 8.458 0.002 . . . . . . . 109 LEU H . 51291 1 186 . 1 . 1 109 109 LEU N N 15 116.925 0.005 . . . . . . . 109 LEU N . 51291 1 187 . 1 . 1 110 110 SER H H 1 8.840 0.002 . . . . . . . 110 SER H . 51291 1 188 . 1 . 1 110 110 SER N N 15 115.446 0.005 . . . . . . . 110 SER N . 51291 1 189 . 1 . 1 111 111 ASN H H 1 7.902 0.002 . . . . . . . 111 ASN H . 51291 1 190 . 1 . 1 111 111 ASN N N 15 119.553 0.005 . . . . . . . 111 ASN N . 51291 1 191 . 1 . 1 112 112 ILE H H 1 8.018 0.002 . . . . . . . 112 ILE H . 51291 1 192 . 1 . 1 112 112 ILE N N 15 122.904 0.005 . . . . . . . 112 ILE N . 51291 1 193 . 1 . 1 113 113 ALA H H 1 8.120 0.002 . . . . . . . 113 ALA H . 51291 1 194 . 1 . 1 113 113 ALA N N 15 117.268 0.005 . . . . . . . 113 ALA N . 51291 1 195 . 1 . 1 114 114 SER H H 1 7.500 0.002 . . . . . . . 114 SER H . 51291 1 196 . 1 . 1 114 114 SER N N 15 112.247 0.005 . . . . . . . 114 SER N . 51291 1 197 . 1 . 1 115 115 GLY H H 1 7.699 0.002 . . . . . . . 115 GLY H . 51291 1 198 . 1 . 1 115 115 GLY N N 15 108.819 0.005 . . . . . . . 115 GLY N . 51291 1 199 . 1 . 1 116 116 GLY H H 1 7.906 0.002 . . . . . . . 116 GLY H . 51291 1 200 . 1 . 1 116 116 GLY N N 15 105.485 0.005 . . . . . . . 116 GLY N . 51291 1 201 . 1 . 1 118 118 GLU H H 1 9.300 0.002 . . . . . . . 118 GLU H . 51291 1 202 . 1 . 1 118 118 GLU N N 15 118.632 0.005 . . . . . . . 118 GLU N . 51291 1 203 . 1 . 1 119 119 GLN H H 1 7.483 0.002 . . . . . . . 119 GLN H . 51291 1 204 . 1 . 1 119 119 GLN N N 15 122.054 0.005 . . . . . . . 119 GLN N . 51291 1 205 . 1 . 1 120 120 ILE H H 1 8.259 0.002 . . . . . . . 120 ILE H . 51291 1 206 . 1 . 1 120 120 ILE N N 15 119.398 0.005 . . . . . . . 120 ILE N . 51291 1 207 . 1 . 1 121 121 GLN H H 1 8.386 0.002 . . . . . . . 121 GLN H . 51291 1 208 . 1 . 1 121 121 GLN N N 15 118.120 0.005 . . . . . . . 121 GLN N . 51291 1 209 . 1 . 1 122 122 ALA H H 1 7.454 0.002 . . . . . . . 122 ALA H . 51291 1 210 . 1 . 1 122 122 ALA N N 15 120.607 0.005 . . . . . . . 122 ALA N . 51291 1 211 . 1 . 1 123 123 VAL H H 1 7.672 0.002 . . . . . . . 123 VAL H . 51291 1 212 . 1 . 1 123 123 VAL N N 15 119.203 0.005 . . . . . . . 123 VAL N . 51291 1 213 . 1 . 1 124 124 ILE H H 1 7.935 0.002 . . . . . . . 124 ILE H . 51291 1 214 . 1 . 1 124 124 ILE N N 15 119.859 0.005 . . . . . . . 124 ILE N . 51291 1 215 . 1 . 1 125 125 ASP H H 1 9.494 0.002 . . . . . . . 125 ASP H . 51291 1 216 . 1 . 1 125 125 ASP N N 15 123.590 0.005 . . . . . . . 125 ASP N . 51291 1 217 . 1 . 1 126 126 ALA H H 1 7.551 0.002 . . . . . . . 126 ALA H . 51291 1 218 . 1 . 1 126 126 ALA N N 15 119.648 0.005 . . . . . . . 126 ALA N . 51291 1 219 . 1 . 1 127 127 GLY H H 1 8.124 0.002 . . . . . . . 127 GLY H . 51291 1 220 . 1 . 1 127 127 GLY N N 15 104.192 0.005 . . . . . . . 127 GLY N . 51291 1 221 . 1 . 1 128 128 ALA H H 1 7.095 0.002 . . . . . . . 128 ALA H . 51291 1 222 . 1 . 1 128 128 ALA N N 15 116.906 0.005 . . . . . . . 128 ALA N . 51291 1 223 . 1 . 1 129 129 LEU H H 1 9.363 0.002 . . . . . . . 129 LEU H . 51291 1 224 . 1 . 1 129 129 LEU N N 15 113.512 0.005 . . . . . . . 129 LEU N . 51291 1 225 . 1 . 1 131 131 ALA H H 1 6.898 0.002 . . . . . . . 131 ALA H . 51291 1 226 . 1 . 1 131 131 ALA N N 15 118.631 0.005 . . . . . . . 131 ALA N . 51291 1 227 . 1 . 1 132 132 LEU H H 1 8.184 0.002 . . . . . . . 132 LEU H . 51291 1 228 . 1 . 1 132 132 LEU N N 15 118.041 0.005 . . . . . . . 132 LEU N . 51291 1 229 . 1 . 1 133 133 VAL H H 1 8.391 0.002 . . . . . . . 133 VAL H . 51291 1 230 . 1 . 1 133 133 VAL N N 15 115.934 0.005 . . . . . . . 133 VAL N . 51291 1 231 . 1 . 1 134 134 GLN H H 1 7.611 0.002 . . . . . . . 134 GLN H . 51291 1 232 . 1 . 1 134 134 GLN N N 15 119.530 0.005 . . . . . . . 134 GLN N . 51291 1 233 . 1 . 1 137 137 SER H H 1 6.918 0.002 . . . . . . . 137 SER H . 51291 1 234 . 1 . 1 137 137 SER N N 15 111.570 0.005 . . . . . . . 137 SER N . 51291 1 235 . 1 . 1 138 138 SER H H 1 7.574 0.002 . . . . . . . 138 SER H . 51291 1 236 . 1 . 1 138 138 SER N N 15 118.157 0.005 . . . . . . . 138 SER N . 51291 1 237 . 1 . 1 139 139 PRO N N 15 119.568 0.005 . . . . . . . 139 PRO N . 51291 1 238 . 1 . 1 140 140 ASN H H 1 8.334 0.002 . . . . . . . 140 ASN H . 51291 1 239 . 1 . 1 140 140 ASN N N 15 120.520 0.005 . . . . . . . 140 ASN N . 51291 1 240 . 1 . 1 141 141 GLU H H 1 9.043 0.002 . . . . . . . 141 GLU H . 51291 1 241 . 1 . 1 141 141 GLU N N 15 126.176 0.005 . . . . . . . 141 GLU N . 51291 1 242 . 1 . 1 142 142 GLN H H 1 8.213 0.002 . . . . . . . 142 GLN H . 51291 1 243 . 1 . 1 142 142 GLN N N 15 119.547 0.005 . . . . . . . 142 GLN N . 51291 1 244 . 1 . 1 143 143 ILE H H 1 7.405 0.002 . . . . . . . 143 ILE H . 51291 1 245 . 1 . 1 143 143 ILE N N 15 121.208 0.005 . . . . . . . 143 ILE N . 51291 1 246 . 1 . 1 144 144 LEU H H 1 8.246 0.002 . . . . . . . 144 LEU H . 51291 1 247 . 1 . 1 144 144 LEU N N 15 120.471 0.005 . . . . . . . 144 LEU N . 51291 1 248 . 1 . 1 145 145 GLN H H 1 7.982 0.002 . . . . . . . 145 GLN H . 51291 1 249 . 1 . 1 145 145 GLN N N 15 115.582 0.005 . . . . . . . 145 GLN N . 51291 1 250 . 1 . 1 146 146 GLU H H 1 7.798 0.002 . . . . . . . 146 GLU H . 51291 1 251 . 1 . 1 146 146 GLU N N 15 118.617 0.005 . . . . . . . 146 GLU N . 51291 1 252 . 1 . 1 147 147 ALA H H 1 8.908 0.002 . . . . . . . 147 ALA H . 51291 1 253 . 1 . 1 147 147 ALA N N 15 123.332 0.005 . . . . . . . 147 ALA N . 51291 1 254 . 1 . 1 148 148 LEU H H 1 8.471 0.002 . . . . . . . 148 LEU H . 51291 1 255 . 1 . 1 148 148 LEU N N 15 118.051 0.005 . . . . . . . 148 LEU N . 51291 1 256 . 1 . 1 149 149 TRP H H 1 8.272 0.002 . . . . . . . 149 TRP H . 51291 1 257 . 1 . 1 149 149 TRP N N 15 122.366 0.005 . . . . . . . 149 TRP N . 51291 1 258 . 1 . 1 150 150 ALA H H 1 8.175 0.002 . . . . . . . 150 ALA H . 51291 1 259 . 1 . 1 150 150 ALA N N 15 121.014 0.005 . . . . . . . 150 ALA N . 51291 1 260 . 1 . 1 151 151 LEU H H 1 8.461 0.002 . . . . . . . 151 LEU H . 51291 1 261 . 1 . 1 151 151 LEU N N 15 116.959 0.005 . . . . . . . 151 LEU N . 51291 1 262 . 1 . 1 152 152 SER H H 1 8.844 0.002 . . . . . . . 152 SER H . 51291 1 263 . 1 . 1 152 152 SER N N 15 115.479 0.005 . . . . . . . 152 SER N . 51291 1 264 . 1 . 1 153 153 ASN H H 1 8.001 0.002 . . . . . . . 153 ASN H . 51291 1 265 . 1 . 1 153 153 ASN N N 15 119.068 0.005 . . . . . . . 153 ASN N . 51291 1 266 . 1 . 1 154 154 ILE H H 1 8.000 0.002 . . . . . . . 154 ILE H . 51291 1 267 . 1 . 1 154 154 ILE N N 15 122.679 0.005 . . . . . . . 154 ILE N . 51291 1 268 . 1 . 1 155 155 ALA H H 1 8.396 0.002 . . . . . . . 155 ALA H . 51291 1 269 . 1 . 1 155 155 ALA N N 15 118.112 0.005 . . . . . . . 155 ALA N . 51291 1 270 . 1 . 1 156 156 SER H H 1 7.391 0.002 . . . . . . . 156 SER H . 51291 1 271 . 1 . 1 156 156 SER N N 15 112.341 0.005 . . . . . . . 156 SER N . 51291 1 272 . 1 . 1 157 157 GLY H H 1 7.699 0.002 . . . . . . . 157 GLY H . 51291 1 273 . 1 . 1 157 157 GLY N N 15 109.022 0.005 . . . . . . . 157 GLY N . 51291 1 274 . 1 . 1 158 158 GLY H H 1 7.839 0.002 . . . . . . . 158 GLY H . 51291 1 275 . 1 . 1 158 158 GLY N N 15 105.038 0.005 . . . . . . . 158 GLY N . 51291 1 276 . 1 . 1 160 160 GLU H H 1 9.306 0.002 . . . . . . . 160 GLU H . 51291 1 277 . 1 . 1 160 160 GLU N N 15 118.603 0.005 . . . . . . . 160 GLU N . 51291 1 278 . 1 . 1 161 161 GLN H H 1 7.514 0.002 . . . . . . . 161 GLN H . 51291 1 279 . 1 . 1 161 161 GLN N N 15 122.075 0.005 . . . . . . . 161 GLN N . 51291 1 280 . 1 . 1 162 162 ILE H H 1 8.258 0.002 . . . . . . . 162 ILE H . 51291 1 281 . 1 . 1 162 162 ILE N N 15 119.340 0.005 . . . . . . . 162 ILE N . 51291 1 282 . 1 . 1 163 163 GLN H H 1 8.414 0.002 . . . . . . . 163 GLN H . 51291 1 283 . 1 . 1 163 163 GLN N N 15 118.053 0.005 . . . . . . . 163 GLN N . 51291 1 284 . 1 . 1 164 164 ALA H H 1 7.456 0.002 . . . . . . . 164 ALA H . 51291 1 285 . 1 . 1 164 164 ALA N N 15 120.567 0.005 . . . . . . . 164 ALA N . 51291 1 286 . 1 . 1 165 165 VAL H H 1 7.611 0.002 . . . . . . . 165 VAL H . 51291 1 287 . 1 . 1 165 165 VAL N N 15 119.559 0.005 . . . . . . . 165 VAL N . 51291 1 288 . 1 . 1 166 166 ILE H H 1 7.920 0.002 . . . . . . . 166 ILE H . 51291 1 289 . 1 . 1 166 166 ILE N N 15 120.283 0.005 . . . . . . . 166 ILE N . 51291 1 290 . 1 . 1 167 167 ASP H H 1 9.494 0.002 . . . . . . . 167 ASP H . 51291 1 291 . 1 . 1 167 167 ASP N N 15 123.651 0.005 . . . . . . . 167 ASP N . 51291 1 292 . 1 . 1 168 168 ALA H H 1 7.544 0.002 . . . . . . . 168 ALA H . 51291 1 293 . 1 . 1 168 168 ALA N N 15 119.694 0.005 . . . . . . . 168 ALA N . 51291 1 294 . 1 . 1 169 169 GLY H H 1 8.125 0.002 . . . . . . . 169 GLY H . 51291 1 295 . 1 . 1 169 169 GLY N N 15 104.432 0.005 . . . . . . . 169 GLY N . 51291 1 296 . 1 . 1 170 170 ALA H H 1 7.096 0.002 . . . . . . . 170 ALA H . 51291 1 297 . 1 . 1 170 170 ALA N N 15 116.897 0.005 . . . . . . . 170 ALA N . 51291 1 298 . 1 . 1 171 171 LEU H H 1 9.374 0.002 . . . . . . . 171 LEU H . 51291 1 299 . 1 . 1 171 171 LEU N N 15 113.250 0.005 . . . . . . . 171 LEU N . 51291 1 300 . 1 . 1 173 173 ALA H H 1 6.897 0.002 . . . . . . . 173 ALA H . 51291 1 301 . 1 . 1 173 173 ALA N N 15 118.763 0.005 . . . . . . . 173 ALA N . 51291 1 302 . 1 . 1 174 174 LEU H H 1 8.191 0.002 . . . . . . . 174 LEU H . 51291 1 303 . 1 . 1 174 174 LEU N N 15 118.076 0.005 . . . . . . . 174 LEU N . 51291 1 304 . 1 . 1 175 175 VAL H H 1 8.394 0.002 . . . . . . . 175 VAL H . 51291 1 305 . 1 . 1 175 175 VAL N N 15 115.949 0.005 . . . . . . . 175 VAL N . 51291 1 306 . 1 . 1 176 176 GLN H H 1 7.804 0.002 . . . . . . . 176 GLN H . 51291 1 307 . 1 . 1 176 176 GLN N N 15 120.329 0.005 . . . . . . . 176 GLN N . 51291 1 308 . 1 . 1 177 177 LEU H H 1 7.777 0.002 . . . . . . . 177 LEU H . 51291 1 309 . 1 . 1 177 177 LEU N N 15 119.938 0.005 . . . . . . . 177 LEU N . 51291 1 310 . 1 . 1 178 178 LEU H H 1 7.549 0.002 . . . . . . . 178 LEU H . 51291 1 311 . 1 . 1 178 178 LEU N N 15 116.978 0.005 . . . . . . . 178 LEU N . 51291 1 312 . 1 . 1 179 179 SER H H 1 7.473 0.002 . . . . . . . 179 SER H . 51291 1 313 . 1 . 1 179 179 SER N N 15 111.224 0.005 . . . . . . . 179 SER N . 51291 1 314 . 1 . 1 180 180 SER H H 1 7.647 0.002 . . . . . . . 180 SER H . 51291 1 315 . 1 . 1 180 180 SER N N 15 118.334 0.005 . . . . . . . 180 SER N . 51291 1 316 . 1 . 1 182 182 ASN H H 1 8.334 0.002 . . . . . . . 182 ASN H . 51291 1 317 . 1 . 1 182 182 ASN N N 15 120.532 0.005 . . . . . . . 182 ASN N . 51291 1 318 . 1 . 1 183 183 GLU H H 1 9.025 0.002 . . . . . . . 183 GLU H . 51291 1 319 . 1 . 1 183 183 GLU N N 15 126.197 0.005 . . . . . . . 183 GLU N . 51291 1 320 . 1 . 1 184 184 GLN H H 1 8.211 0.002 . . . . . . . 184 GLN H . 51291 1 321 . 1 . 1 184 184 GLN N N 15 119.570 0.005 . . . . . . . 184 GLN N . 51291 1 322 . 1 . 1 185 185 ILE H H 1 7.406 0.002 . . . . . . . 185 ILE H . 51291 1 323 . 1 . 1 185 185 ILE N N 15 121.298 0.005 . . . . . . . 185 ILE N . 51291 1 324 . 1 . 1 186 186 LEU H H 1 8.249 0.002 . . . . . . . 186 LEU H . 51291 1 325 . 1 . 1 186 186 LEU N N 15 120.468 0.005 . . . . . . . 186 LEU N . 51291 1 326 . 1 . 1 187 187 GLN H H 1 7.905 0.002 . . . . . . . 187 GLN H . 51291 1 327 . 1 . 1 187 187 GLN N N 15 115.566 0.005 . . . . . . . 187 GLN N . 51291 1 328 . 1 . 1 188 188 GLU H H 1 7.789 0.002 . . . . . . . 188 GLU H . 51291 1 329 . 1 . 1 188 188 GLU N N 15 118.578 0.005 . . . . . . . 188 GLU N . 51291 1 330 . 1 . 1 189 189 ALA H H 1 8.888 0.002 . . . . . . . 189 ALA H . 51291 1 331 . 1 . 1 189 189 ALA N N 15 123.643 0.005 . . . . . . . 189 ALA N . 51291 1 332 . 1 . 1 190 190 LEU H H 1 8.418 0.002 . . . . . . . 190 LEU H . 51291 1 333 . 1 . 1 190 190 LEU N N 15 119.288 0.005 . . . . . . . 190 LEU N . 51291 1 334 . 1 . 1 191 191 TRP H H 1 8.353 0.002 . . . . . . . 191 TRP H . 51291 1 335 . 1 . 1 191 191 TRP N N 15 121.571 0.005 . . . . . . . 191 TRP N . 51291 1 336 . 1 . 1 192 192 ALA H H 1 8.168 0.002 . . . . . . . 192 ALA H . 51291 1 337 . 1 . 1 192 192 ALA N N 15 121.100 0.005 . . . . . . . 192 ALA N . 51291 1 338 . 1 . 1 193 193 LEU H H 1 8.397 0.002 . . . . . . . 193 LEU H . 51291 1 339 . 1 . 1 193 193 LEU N N 15 116.960 0.005 . . . . . . . 193 LEU N . 51291 1 340 . 1 . 1 194 194 SER H H 1 8.847 0.002 . . . . . . . 194 SER H . 51291 1 341 . 1 . 1 194 194 SER N N 15 115.009 0.005 . . . . . . . 194 SER N . 51291 1 342 . 1 . 1 195 195 ASN H H 1 7.899 0.002 . . . . . . . 195 ASN H . 51291 1 343 . 1 . 1 195 195 ASN N N 15 119.456 0.005 . . . . . . . 195 ASN N . 51291 1 344 . 1 . 1 196 196 ILE H H 1 8.087 0.002 . . . . . . . 196 ILE H . 51291 1 345 . 1 . 1 196 196 ILE N N 15 122.976 0.005 . . . . . . . 196 ILE N . 51291 1 346 . 1 . 1 197 197 ALA H H 1 8.124 0.002 . . . . . . . 197 ALA H . 51291 1 347 . 1 . 1 197 197 ALA N N 15 117.447 0.005 . . . . . . . 197 ALA N . 51291 1 348 . 1 . 1 198 198 SER H H 1 7.489 0.002 . . . . . . . 198 SER H . 51291 1 349 . 1 . 1 198 198 SER N N 15 112.010 0.005 . . . . . . . 198 SER N . 51291 1 350 . 1 . 1 199 199 GLY H H 1 7.901 0.002 . . . . . . . 199 GLY H . 51291 1 351 . 1 . 1 199 199 GLY N N 15 108.604 0.005 . . . . . . . 199 GLY N . 51291 1 352 . 1 . 1 200 200 GLY H H 1 7.946 0.002 . . . . . . . 200 GLY H . 51291 1 353 . 1 . 1 200 200 GLY N N 15 104.471 0.005 . . . . . . . 200 GLY N . 51291 1 354 . 1 . 1 201 201 ASN H H 1 8.778 0.002 . . . . . . . 201 ASN H . 51291 1 355 . 1 . 1 201 201 ASN N N 15 118.975 0.005 . . . . . . . 201 ASN N . 51291 1 356 . 1 . 1 202 202 GLU H H 1 9.491 0.002 . . . . . . . 202 GLU H . 51291 1 357 . 1 . 1 202 202 GLU N N 15 118.907 0.005 . . . . . . . 202 GLU N . 51291 1 358 . 1 . 1 203 203 GLN H H 1 7.416 0.002 . . . . . . . 203 GLN H . 51291 1 359 . 1 . 1 203 203 GLN N N 15 121.416 0.005 . . . . . . . 203 GLN N . 51291 1 360 . 1 . 1 204 204 LYS H H 1 8.382 0.002 . . . . . . . 204 LYS H . 51291 1 361 . 1 . 1 204 204 LYS N N 15 118.308 0.005 . . . . . . . 204 LYS N . 51291 1 362 . 1 . 1 205 205 GLN H H 1 8.363 0.002 . . . . . . . 205 GLN H . 51291 1 363 . 1 . 1 205 205 GLN N N 15 117.554 0.005 . . . . . . . 205 GLN N . 51291 1 364 . 1 . 1 206 206 ALA H H 1 7.489 0.002 . . . . . . . 206 ALA H . 51291 1 365 . 1 . 1 206 206 ALA N N 15 121.458 0.005 . . . . . . . 206 ALA N . 51291 1 366 . 1 . 1 207 207 VAL H H 1 7.666 0.002 . . . . . . . 207 VAL H . 51291 1 367 . 1 . 1 207 207 VAL N N 15 118.871 0.005 . . . . . . . 207 VAL N . 51291 1 368 . 1 . 1 208 208 LYS H H 1 7.918 0.002 . . . . . . . 208 LYS H . 51291 1 369 . 1 . 1 208 208 LYS N N 15 118.836 0.005 . . . . . . . 208 LYS N . 51291 1 370 . 1 . 1 209 209 GLU H H 1 8.851 0.002 . . . . . . . 209 GLU H . 51291 1 371 . 1 . 1 209 209 GLU N N 15 121.290 0.005 . . . . . . . 209 GLU N . 51291 1 372 . 1 . 1 210 210 ALA H H 1 7.435 0.002 . . . . . . . 210 ALA H . 51291 1 373 . 1 . 1 210 210 ALA N N 15 118.811 0.005 . . . . . . . 210 ALA N . 51291 1 374 . 1 . 1 211 211 GLY H H 1 7.826 0.002 . . . . . . . 211 GLY H . 51291 1 375 . 1 . 1 211 211 GLY N N 15 104.067 0.005 . . . . . . . 211 GLY N . 51291 1 376 . 1 . 1 212 212 ALA H H 1 7.096 0.002 . . . . . . . 212 ALA H . 51291 1 377 . 1 . 1 212 212 ALA N N 15 117.094 0.005 . . . . . . . 212 ALA N . 51291 1 378 . 1 . 1 213 213 LEU H H 1 8.995 0.002 . . . . . . . 213 LEU H . 51291 1 379 . 1 . 1 213 213 LEU N N 15 116.211 0.005 . . . . . . . 213 LEU N . 51291 1 380 . 1 . 1 214 214 GLU H H 1 8.374 0.002 . . . . . . . 214 GLU H . 51291 1 381 . 1 . 1 214 214 GLU N N 15 116.913 0.005 . . . . . . . 214 GLU N . 51291 1 382 . 1 . 1 215 215 LYS H H 1 6.816 0.002 . . . . . . . 215 LYS H . 51291 1 383 . 1 . 1 215 215 LYS N N 15 115.902 0.005 . . . . . . . 215 LYS N . 51291 1 384 . 1 . 1 216 216 LEU H H 1 8.444 0.002 . . . . . . . 216 LEU H . 51291 1 385 . 1 . 1 216 216 LEU N N 15 119.715 0.005 . . . . . . . 216 LEU N . 51291 1 386 . 1 . 1 217 217 GLU H H 1 8.363 0.002 . . . . . . . 217 GLU H . 51291 1 387 . 1 . 1 217 217 GLU N N 15 117.450 0.005 . . . . . . . 217 GLU N . 51291 1 388 . 1 . 1 218 218 GLN H H 1 7.417 0.002 . . . . . . . 218 GLN H . 51291 1 389 . 1 . 1 218 218 GLN N N 15 118.596 0.005 . . . . . . . 218 GLN N . 51291 1 390 . 1 . 1 219 219 LEU H H 1 7.918 0.002 . . . . . . . 219 LEU H . 51291 1 391 . 1 . 1 219 219 LEU N N 15 119.894 0.005 . . . . . . . 219 LEU N . 51291 1 392 . 1 . 1 220 220 GLN H H 1 7.523 0.002 . . . . . . . 220 GLN H . 51291 1 393 . 1 . 1 220 220 GLN N N 15 116.211 0.005 . . . . . . . 220 GLN N . 51291 1 394 . 1 . 1 221 221 SER H H 1 7.599 0.002 . . . . . . . 221 SER H . 51291 1 395 . 1 . 1 221 221 SER N N 15 110.685 0.005 . . . . . . . 221 SER N . 51291 1 396 . 1 . 1 222 222 HIS H H 1 7.639 0.002 . . . . . . . 222 HIS H . 51291 1 397 . 1 . 1 222 222 HIS N N 15 125.444 0.005 . . . . . . . 222 HIS N . 51291 1 398 . 1 . 1 223 223 GLU H H 1 8.042 0.002 . . . . . . . 223 GLU H . 51291 1 399 . 1 . 1 223 223 GLU N N 15 124.244 0.005 . . . . . . . 223 GLU N . 51291 1 400 . 1 . 1 224 224 ASN H H 1 11.662 0.002 . . . . . . . 224 ASN H . 51291 1 401 . 1 . 1 224 224 ASN N N 15 124.732 0.005 . . . . . . . 224 ASN N . 51291 1 402 . 1 . 1 225 225 GLU H H 1 9.105 0.002 . . . . . . . 225 GLU H . 51291 1 403 . 1 . 1 225 225 GLU N N 15 127.897 0.005 . . . . . . . 225 GLU N . 51291 1 404 . 1 . 1 226 226 LYS H H 1 8.232 0.002 . . . . . . . 226 LYS H . 51291 1 405 . 1 . 1 226 226 LYS N N 15 119.684 0.005 . . . . . . . 226 LYS N . 51291 1 406 . 1 . 1 227 227 ILE H H 1 7.220 0.002 . . . . . . . 227 ILE H . 51291 1 407 . 1 . 1 227 227 ILE N N 15 120.422 0.005 . . . . . . . 227 ILE N . 51291 1 408 . 1 . 1 228 228 GLN H H 1 8.104 0.002 . . . . . . . 228 GLN H . 51291 1 409 . 1 . 1 228 228 GLN N N 15 118.072 0.005 . . . . . . . 228 GLN N . 51291 1 410 . 1 . 1 229 229 LYS H H 1 7.806 0.002 . . . . . . . 229 LYS H . 51291 1 411 . 1 . 1 229 229 LYS N N 15 117.699 0.005 . . . . . . . 229 LYS N . 51291 1 412 . 1 . 1 230 230 GLU H H 1 8.088 0.002 . . . . . . . 230 GLU H . 51291 1 413 . 1 . 1 230 230 GLU N N 15 119.481 0.005 . . . . . . . 230 GLU N . 51291 1 414 . 1 . 1 231 231 ALA H H 1 8.950 0.002 . . . . . . . 231 ALA H . 51291 1 415 . 1 . 1 231 231 ALA N N 15 122.809 0.005 . . . . . . . 231 ALA N . 51291 1 416 . 1 . 1 232 232 GLN H H 1 8.184 0.002 . . . . . . . 232 GLN H . 51291 1 417 . 1 . 1 232 232 GLN N N 15 118.194 0.005 . . . . . . . 232 GLN N . 51291 1 418 . 1 . 1 233 233 GLU H H 1 8.223 0.002 . . . . . . . 233 GLU H . 51291 1 419 . 1 . 1 233 233 GLU N N 15 119.645 0.005 . . . . . . . 233 GLU N . 51291 1 420 . 1 . 1 234 234 ALA H H 1 8.142 0.002 . . . . . . . 234 ALA H . 51291 1 421 . 1 . 1 234 234 ALA N N 15 122.011 0.005 . . . . . . . 234 ALA N . 51291 1 422 . 1 . 1 235 235 LEU H H 1 8.378 0.002 . . . . . . . 235 LEU H . 51291 1 423 . 1 . 1 235 235 LEU N N 15 118.306 0.005 . . . . . . . 235 LEU N . 51291 1 424 . 1 . 1 236 236 GLU H H 1 8.113 0.002 . . . . . . . 236 GLU H . 51291 1 425 . 1 . 1 236 236 GLU N N 15 118.872 0.005 . . . . . . . 236 GLU N . 51291 1 426 . 1 . 1 237 237 LYS H H 1 7.796 0.002 . . . . . . . 237 LYS H . 51291 1 427 . 1 . 1 237 237 LYS N N 15 118.778 0.005 . . . . . . . 237 LYS N . 51291 1 428 . 1 . 1 238 238 LEU H H 1 7.892 0.002 . . . . . . . 238 LEU H . 51291 1 429 . 1 . 1 238 238 LEU N N 15 116.999 0.005 . . . . . . . 238 LEU N . 51291 1 430 . 1 . 1 239 239 GLN H H 1 7.698 0.002 . . . . . . . 239 GLN H . 51291 1 431 . 1 . 1 239 239 GLN N N 15 116.396 0.005 . . . . . . . 239 GLN N . 51291 1 432 . 1 . 1 240 240 SER H H 1 7.787 0.002 . . . . . . . 240 SER H . 51291 1 433 . 1 . 1 240 240 SER N N 15 115.345 0.005 . . . . . . . 240 SER N . 51291 1 434 . 1 . 1 241 241 HIS H H 1 8.260 0.002 . . . . . . . 241 HIS H . 51291 1 435 . 1 . 1 241 241 HIS N N 15 125.620 0.005 . . . . . . . 241 HIS N . 51291 1 stop_ save_ #################################### # Chemical shift isotope effects # #################################### save_chem_shift_isotope_effect_1 _Chem_shift_isotope_effect_list.Sf_category chem_shift_isotope_effect _Chem_shift_isotope_effect_list.Sf_framecode chem_shift_isotope_effect_1 _Chem_shift_isotope_effect_list.Entry_ID 51291 _Chem_shift_isotope_effect_list.ID 1 _Chem_shift_isotope_effect_list.Name Q92C_A4M4A_apo_Tm _Chem_shift_isotope_effect_list.Sample_condition_list_ID 1 _Chem_shift_isotope_effect_list.Sample_condition_list_label $sample_conditions_1 _Chem_shift_isotope_effect_list.Chem_shift_reference_ID . _Chem_shift_isotope_effect_list.Chem_shift_reference_label . _Chem_shift_isotope_effect_list.Isotope_effect_type na _Chem_shift_isotope_effect_list.Isotope_effect_val_units ppm _Chem_shift_isotope_effect_list.Details ; Pseudocontact shifts (PCSs) triggered by the paramagnetic tag Tm-4R4S_DOTA-M7 coupled to the introduced Cys in the sample without ligand. ; _Chem_shift_isotope_effect_list.Text_data_format text _Chem_shift_isotope_effect_list.Text_data ; 75 H 0.14200 0.005 76 H 0.11900 0.005 77 H 0.10400 0.005 83 H -0.16200 0.005 84 H -0.16600 0.005 85 H -0.28800 0.005 86 H -0.31100 0.005 87 H -0.44500 0.005 89 H -0.94700 0.005 95 H -2.29500 0.005 99 H -0.26400 0.005 100 H -0.15600 0.005 101 H -0.24000 0.005 106 H 0.27500 0.005 107 H 0.29700 0.005 110 H 1.25400 0.005 115 H 0.49000 0.005 116 H 0.27400 0.005 118 H 0.07000 0.005 119 H 0.15700 0.005 120 H 0.31300 0.005 152 H 0.68700 0.005 157 H 0.25600 0.005 158 H 0.09000 0.005 163 H 0.09300 0.005 164 H 0.09300 0.005 167 H 0.10900 0.005 168 H 0.14300 0.005 169 H 0.15600 0.005 170 H 0.15900 0.005 171 H 0.14200 0.005 173 H 0.06900 0.005 174 H 0.09400 0.005 175 H 0.10000 0.005 191 H 0.11100 0.005 192 H 0.14000 0.005 193 H 0.14100 0.005 194 H 0.10000 0.005 195 H 0.23600 0.005 196 H 0.20300 0.005 199 H 0.07000 0.005 200 H 0.05000 0.005 205 H 0.01800 0.005 206 H 0.06800 0.005 207 H 0.05000 0.005 208 H 0.07400 0.005 209 H 0.08000 0.005 210 H 0.08400 0.005 211 H 0.06600 0.005 212 H 0.04600 0.005 213 H 0.04400 0.005 214 H 0.03500 0.005 215 H 0.04300 0.005 216 H 0.03700 0.005 217 H 0.01900 0.005 218 H 0.01900 0.005 219 H 0.05600 0.005 220 H 0.02700 0.005 221 H 0.05200 0.005 222 H 0.00900 0.005 223 H 0.01100 0.005 224 H 0.00700 0.005 225 H 0.01100 0.005 226 H 0.05100 0.005 227 H 0.02600 0.005 228 H 0.06500 0.005 229 H 0.03500 0.005 230 H 0.04700 0.005 231 H 0.04300 0.005 232 H 0.03600 0.005 233 H 0.07400 0.005 234 H 0.06800 0.005 235 H 0.08900 0.005 236 H 0.03100 0.005 237 H 0.04700 0.005 238 H 0.03600 0.005 239 H 0.03900 0.005 75 N 0.14700 0.005 76 N 0.11900 0.005 77 N 0.10200 0.005 83 N -0.15700 0.005 84 N -0.16200 0.005 85 N -0.26100 0.005 86 N -0.31200 0.005 87 N -0.39700 0.005 89 N -1.07400 0.005 95 N -2.09000 0.005 99 N -0.26000 0.005 100 N -0.14400 0.005 101 N -0.22100 0.005 106 N 0.28800 0.005 107 N 0.31200 0.005 110 N 1.26200 0.005 115 N 0.47900 0.005 116 N 0.26600 0.005 118 N 0.07000 0.005 119 N 0.16600 0.005 120 N 0.18100 0.005 152 N 0.79000 0.005 157 N 0.30300 0.005 158 N 0.09800 0.005 163 N 0.10100 0.005 164 N 0.09300 0.005 167 N 0.11600 0.005 168 N 0.14300 0.005 169 N 0.15000 0.005 170 N 0.15900 0.005 171 N 0.14100 0.005 173 N 0.07000 0.005 174 N 0.08800 0.005 175 N 0.10200 0.005 191 N 0.11400 0.005 192 N 0.14200 0.005 193 N 0.15200 0.005 194 N 0.09900 0.005 195 N 0.20200 0.005 196 N 0.21500 0.005 199 N 0.07700 0.005 200 N 0.05000 0.005 205 N 0.01800 0.005 206 N 0.06800 0.005 207 N 0.05400 0.005 208 N 0.07300 0.005 209 N 0.08000 0.005 210 N 0.08000 0.005 211 N 0.06800 0.005 212 N 0.04700 0.005 213 N 0.04100 0.005 214 N 0.03700 0.005 215 N 0.04100 0.005 216 N 0.03700 0.005 217 N 0.01900 0.005 218 N 0.02000 0.005 219 N 0.05400 0.005 220 N 0.03100 0.005 221 N 0.05400 0.005 222 N 0.00800 0.005 223 N 0.01200 0.005 224 N 0.00700 0.005 225 N 0.01300 0.005 226 N 0.05000 0.005 227 N 0.02900 0.005 228 N 0.06800 0.005 229 N 0.03800 0.005 230 N 0.04200 0.005 231 N 0.04300 0.005 232 N 0.03900 0.005 233 N 0.08100 0.005 234 N 0.06800 0.005 235 N 0.09700 0.005 236 N 0.03000 0.005 237 N 0.05300 0.005 238 N 0.03700 0.005 239 N 0.03800 0.005 ; loop_ _Isotope_effect_experiment.Experiment_ID _Isotope_effect_experiment.Experiment_name _Isotope_effect_experiment.Sample_ID _Isotope_effect_experiment.Sample_label _Isotope_effect_experiment.Sample_state _Isotope_effect_experiment.Entry_ID _Isotope_effect_experiment.Chem_shift_isotope_effect_list_ID 2 '2D 1H-15N HSQC' . . . 51291 1 3 '3D 1H-15N NOESY' . . . 51291 1 stop_ loop_ _Isotope_effect_software.Software_ID _Isotope_effect_software.Software_label _Isotope_effect_software.Method_ID _Isotope_effect_software.Method_label _Isotope_effect_software.Entry_ID _Isotope_effect_software.Chem_shift_isotope_effect_list_ID 1 $software_1 . . 51291 1 2 $software_2 . . 51291 1 stop_ save_