data_52183 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52183 _Entry.Title ; SIRT1 141-233 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-19 _Entry.Accession_date 2023-10-19 _Entry.Last_release_date 2023-10-19 _Entry.Original_release_date 2023-10-19 _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 Troy Krzysiak . . . . 52183 2 Angela Gronenborn . . . . 52183 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52183 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 71 52183 '15N chemical shifts' 37 52183 '1H chemical shifts' 37 52183 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 . . 2024-08-28 . original BMRB . 52183 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52178 'SIRT1 1-54' 52183 BMRB 52181 'SIRT1 1-84' 52183 BMRB 52182 'SIRT1 1-124' 52183 BMRB 52184 'SIRT1 109-233' 52183 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52183 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38533551 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Inhibitory protein-protein interactions of the SIRT1 deacetylase are choreographed by post-translational modification ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 33 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 e4938 _Citation.Page_last e4938 _Citation.Year 2024 _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 Troy Krzysiak T. C. . . 52183 1 2 You-Jin Choi Y. J. . . 52183 1 3 'Yong Joon' Kim Y. J. . . 52183 1 4 Yunhan Yang Y. . . . 52183 1 5 Christopher DeHaven C. . . . 52183 1 6 Lariah Thompson L. . . . 52183 1 7 Ryan Ponticelli R. . . . 52183 1 8 Mara Mermigos M. M. . . 52183 1 9 Laurel Thomas L. . . . 52183 1 10 Andrea Marquez A. . . . 52183 1 11 Ian Sipula I. . . . 52183 1 12 'Jongsook Kim' Kemper J. K. . . 52183 1 13 Michael Jurczak M. . . . 52183 1 14 Gary Thomas G. . . . 52183 1 15 Angela Gronenborn A. M. . . 52183 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52183 _Assembly.ID 1 _Assembly.Name 'SIRT1 141-233' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'SIRT1 141-233' 1 $entity_1 . . yes native no no . . . 52183 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52183 _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 ; SEFGYRDNLLFGDEIITNGF HSCESDEEDRASHASSSDWT PRPRIGPYTFVQQHLMIGTD PRTILKDLLPETIPPPELDD MTLWQIVINILSEPPK ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 SER . 52183 1 2 -1 GLU . 52183 1 3 0 PHE . 52183 1 4 141 GLY . 52183 1 5 142 TYR . 52183 1 6 143 ARG . 52183 1 7 144 ASP . 52183 1 8 145 ASN . 52183 1 9 146 LEU . 52183 1 10 147 LEU . 52183 1 11 148 PHE . 52183 1 12 149 GLY . 52183 1 13 150 ASP . 52183 1 14 151 GLU . 52183 1 15 152 ILE . 52183 1 16 153 ILE . 52183 1 17 154 THR . 52183 1 18 155 ASN . 52183 1 19 156 GLY . 52183 1 20 157 PHE . 52183 1 21 158 HIS . 52183 1 22 159 SER . 52183 1 23 160 CYS . 52183 1 24 161 GLU . 52183 1 25 162 SER . 52183 1 26 163 ASP . 52183 1 27 164 GLU . 52183 1 28 165 GLU . 52183 1 29 166 ASP . 52183 1 30 167 ARG . 52183 1 31 168 ALA . 52183 1 32 169 SER . 52183 1 33 170 HIS . 52183 1 34 171 ALA . 52183 1 35 172 SER . 52183 1 36 173 SER . 52183 1 37 174 SER . 52183 1 38 175 ASP . 52183 1 39 176 TRP . 52183 1 40 177 THR . 52183 1 41 178 PRO . 52183 1 42 179 ARG . 52183 1 43 180 PRO . 52183 1 44 181 ARG . 52183 1 45 182 ILE . 52183 1 46 183 GLY . 52183 1 47 184 PRO . 52183 1 48 185 TYR . 52183 1 49 186 THR . 52183 1 50 187 PHE . 52183 1 51 188 VAL . 52183 1 52 189 GLN . 52183 1 53 190 GLN . 52183 1 54 191 HIS . 52183 1 55 192 LEU . 52183 1 56 193 MET . 52183 1 57 194 ILE . 52183 1 58 195 GLY . 52183 1 59 196 THR . 52183 1 60 197 ASP . 52183 1 61 198 PRO . 52183 1 62 199 ARG . 52183 1 63 200 THR . 52183 1 64 201 ILE . 52183 1 65 202 LEU . 52183 1 66 203 LYS . 52183 1 67 204 ASP . 52183 1 68 205 LEU . 52183 1 69 206 LEU . 52183 1 70 207 PRO . 52183 1 71 208 GLU . 52183 1 72 209 THR . 52183 1 73 210 ILE . 52183 1 74 211 PRO . 52183 1 75 212 PRO . 52183 1 76 213 PRO . 52183 1 77 214 GLU . 52183 1 78 215 LEU . 52183 1 79 216 ASP . 52183 1 80 217 ASP . 52183 1 81 218 MET . 52183 1 82 219 THR . 52183 1 83 220 LEU . 52183 1 84 221 TRP . 52183 1 85 222 GLN . 52183 1 86 223 ILE . 52183 1 87 224 VAL . 52183 1 88 225 ILE . 52183 1 89 226 ASN . 52183 1 90 227 ILE . 52183 1 91 228 LEU . 52183 1 92 229 SER . 52183 1 93 230 GLU . 52183 1 94 231 PRO . 52183 1 95 232 PRO . 52183 1 96 233 LYS . 52183 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 . SER 1 1 52183 1 . GLU 2 2 52183 1 . PHE 3 3 52183 1 . GLY 4 4 52183 1 . TYR 5 5 52183 1 . ARG 6 6 52183 1 . ASP 7 7 52183 1 . ASN 8 8 52183 1 . LEU 9 9 52183 1 . LEU 10 10 52183 1 . PHE 11 11 52183 1 . GLY 12 12 52183 1 . ASP 13 13 52183 1 . GLU 14 14 52183 1 . ILE 15 15 52183 1 . ILE 16 16 52183 1 . THR 17 17 52183 1 . ASN 18 18 52183 1 . GLY 19 19 52183 1 . PHE 20 20 52183 1 . HIS 21 21 52183 1 . SER 22 22 52183 1 . CYS 23 23 52183 1 . GLU 24 24 52183 1 . SER 25 25 52183 1 . ASP 26 26 52183 1 . GLU 27 27 52183 1 . GLU 28 28 52183 1 . ASP 29 29 52183 1 . ARG 30 30 52183 1 . ALA 31 31 52183 1 . SER 32 32 52183 1 . HIS 33 33 52183 1 . ALA 34 34 52183 1 . SER 35 35 52183 1 . SER 36 36 52183 1 . SER 37 37 52183 1 . ASP 38 38 52183 1 . TRP 39 39 52183 1 . THR 40 40 52183 1 . PRO 41 41 52183 1 . ARG 42 42 52183 1 . PRO 43 43 52183 1 . ARG 44 44 52183 1 . ILE 45 45 52183 1 . GLY 46 46 52183 1 . PRO 47 47 52183 1 . TYR 48 48 52183 1 . THR 49 49 52183 1 . PHE 50 50 52183 1 . VAL 51 51 52183 1 . GLN 52 52 52183 1 . GLN 53 53 52183 1 . HIS 54 54 52183 1 . LEU 55 55 52183 1 . MET 56 56 52183 1 . ILE 57 57 52183 1 . GLY 58 58 52183 1 . THR 59 59 52183 1 . ASP 60 60 52183 1 . PRO 61 61 52183 1 . ARG 62 62 52183 1 . THR 63 63 52183 1 . ILE 64 64 52183 1 . LEU 65 65 52183 1 . LYS 66 66 52183 1 . ASP 67 67 52183 1 . LEU 68 68 52183 1 . LEU 69 69 52183 1 . PRO 70 70 52183 1 . GLU 71 71 52183 1 . THR 72 72 52183 1 . ILE 73 73 52183 1 . PRO 74 74 52183 1 . PRO 75 75 52183 1 . PRO 76 76 52183 1 . GLU 77 77 52183 1 . LEU 78 78 52183 1 . ASP 79 79 52183 1 . ASP 80 80 52183 1 . MET 81 81 52183 1 . THR 82 82 52183 1 . LEU 83 83 52183 1 . TRP 84 84 52183 1 . GLN 85 85 52183 1 . ILE 86 86 52183 1 . VAL 87 87 52183 1 . ILE 88 88 52183 1 . ASN 89 89 52183 1 . ILE 90 90 52183 1 . LEU 91 91 52183 1 . SER 92 92 52183 1 . GLU 93 93 52183 1 . PRO 94 94 52183 1 . PRO 95 95 52183 1 . LYS 96 96 52183 1 stop_ 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 52183 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52183 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 52183 _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 . . . plasmid . . pET41 . . 'The linker between the GST and the protein of interest has been shortened and contains a TEV site.' 52183 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52183 _Sample.ID 1 _Sample.Name 'SIRT1 141-233' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SIRt1 141-233' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 52183 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 52183 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52183 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 52183 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52183 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard NMR Buffer' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 52183 1 pH 7 . pH 52183 1 pressure 1 . atm 52183 1 temperature 298 . K 52183 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52183 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52183 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52183 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52183 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52183 _Software.ID 3 _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' . 52183 3 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 52183 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52183 _Experiment_list.ID 1 _Experiment_list.Details . 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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52183 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52183 1 3 '3D HNCOCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52183 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52183 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52183 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 52183 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52183 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52183 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52183 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 52183 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SIRT1 141-233 1H15N13C Assignments' _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 '3D HNCACB' . . . 52183 1 3 '3D HNCOCACB' . . . 52183 1 4 '3D HNCO' . . . 52183 1 5 '3D HNCACO' . . . 52183 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 . . 52183 1 2 $software_2 . . 52183 1 3 $software_3 . . 52183 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 PHE H H 1 8.359 0.020 . 1 . . . . . 0 PHE H . 52183 1 2 . 1 . 1 3 3 PHE CA C 13 57.810 0.3 . 1 . . . . . 0 PHE CA . 52183 1 3 . 1 . 1 3 3 PHE CB C 13 39.473 0.3 . 1 . . . . . 0 PHE CB . 52183 1 4 . 1 . 1 3 3 PHE N N 15 120.493 0.3 . 1 . . . . . 0 PHE N . 52183 1 5 . 1 . 1 4 4 GLY H H 1 8.246 0.020 . 1 . . . . . 141 GLY H . 52183 1 6 . 1 . 1 4 4 GLY CA C 13 45.244 0.3 . 1 . . . . . 141 GLY CA . 52183 1 7 . 1 . 1 4 4 GLY N N 15 110.505 0.3 . 1 . . . . . 141 GLY N . 52183 1 8 . 1 . 1 5 5 TYR H H 1 7.989 0.020 . 1 . . . . . 142 TYR H . 52183 1 9 . 1 . 1 5 5 TYR CA C 13 58.272 0.3 . 1 . . . . . 142 TYR CA . 52183 1 10 . 1 . 1 5 5 TYR CB C 13 38.654 0.3 . 1 . . . . . 142 TYR CB . 52183 1 11 . 1 . 1 5 5 TYR N N 15 120.160 0.3 . 1 . . . . . 142 TYR N . 52183 1 12 . 1 . 1 6 6 ARG H H 1 8.117 0.020 . 1 . . . . . 143 ARG H . 52183 1 13 . 1 . 1 6 6 ARG CA C 13 56.026 0.3 . 1 . . . . . 143 ARG CA . 52183 1 14 . 1 . 1 6 6 ARG CB C 13 30.836 0.3 . 1 . . . . . 143 ARG CB . 52183 1 15 . 1 . 1 6 6 ARG N N 15 122.369 0.3 . 1 . . . . . 143 ARG N . 52183 1 16 . 1 . 1 7 7 ASP H H 1 8.161 0.020 . 1 . . . . . 144 ASP H . 52183 1 17 . 1 . 1 7 7 ASP CA C 13 54.701 0.3 . 1 . . . . . 144 ASP CA . 52183 1 18 . 1 . 1 7 7 ASP CB C 13 41.040 0.3 . 1 . . . . . 144 ASP CB . 52183 1 19 . 1 . 1 7 7 ASP N N 15 120.714 0.3 . 1 . . . . . 144 ASP N . 52183 1 20 . 1 . 1 8 8 ASN H H 1 8.256 0.020 . 1 . . . . . 145 ASN H . 52183 1 21 . 1 . 1 8 8 ASN CA C 13 53.666 0.3 . 1 . . . . . 145 ASN CA . 52183 1 22 . 1 . 1 8 8 ASN CB C 13 38.687 0.3 . 1 . . . . . 145 ASN CB . 52183 1 23 . 1 . 1 8 8 ASN N N 15 118.047 0.3 . 1 . . . . . 145 ASN N . 52183 1 24 . 1 . 1 9 9 LEU H H 1 8.084 0.020 . 1 . . . . . 146 LEU H . 52183 1 25 . 1 . 1 9 9 LEU CA C 13 55.589 0.3 . 1 . . . . . 146 LEU CA . 52183 1 26 . 1 . 1 9 9 LEU CB C 13 42.138 0.3 . 1 . . . . . 146 LEU CB . 52183 1 27 . 1 . 1 9 9 LEU N N 15 121.404 0.3 . 1 . . . . . 146 LEU N . 52183 1 28 . 1 . 1 10 10 LEU H H 1 7.983 0.020 . 1 . . . . . 147 LEU H . 52183 1 29 . 1 . 1 10 10 LEU CA C 13 55.056 0.3 . 1 . . . . . 147 LEU CA . 52183 1 30 . 1 . 1 10 10 LEU CB C 13 42.265 0.3 . 1 . . . . . 147 LEU CB . 52183 1 31 . 1 . 1 10 10 LEU N N 15 121.461 0.3 . 1 . . . . . 147 LEU N . 52183 1 32 . 1 . 1 11 11 PHE H H 1 8.163 0.020 . 1 . . . . . 148 PHE H . 52183 1 33 . 1 . 1 11 11 PHE CA C 13 57.556 0.3 . 1 . . . . . 148 PHE CA . 52183 1 34 . 1 . 1 11 11 PHE CB C 13 39.727 0.3 . 1 . . . . . 148 PHE CB . 52183 1 35 . 1 . 1 11 11 PHE N N 15 119.967 0.3 . 1 . . . . . 148 PHE N . 52183 1 36 . 1 . 1 12 12 GLY H H 1 8.272 0.020 . 1 . . . . . 149 GLY H . 52183 1 37 . 1 . 1 12 12 GLY CA C 13 45.376 0.3 . 1 . . . . . 149 GLY CA . 52183 1 38 . 1 . 1 12 12 GLY N N 15 110.113 0.3 . 1 . . . . . 149 GLY N . 52183 1 39 . 1 . 1 13 13 ASP H H 1 8.220 0.020 . 1 . . . . . 150 ASP H . 52183 1 40 . 1 . 1 13 13 ASP CA C 13 54.503 0.3 . 1 . . . . . 150 ASP CA . 52183 1 41 . 1 . 1 13 13 ASP CB C 13 41.242 0.3 . 1 . . . . . 150 ASP CB . 52183 1 42 . 1 . 1 13 13 ASP N N 15 120.412 0.3 . 1 . . . . . 150 ASP N . 52183 1 43 . 1 . 1 14 14 GLU H H 1 8.434 0.020 . 1 . . . . . 151 GLU H . 52183 1 44 . 1 . 1 14 14 GLU CA C 13 57.061 0.3 . 1 . . . . . 151 GLU CA . 52183 1 45 . 1 . 1 14 14 GLU CB C 13 30.088 0.3 . 1 . . . . . 151 GLU CB . 52183 1 46 . 1 . 1 14 14 GLU N N 15 120.612 0.3 . 1 . . . . . 151 GLU N . 52183 1 47 . 1 . 1 15 15 ILE H H 1 8.102 0.020 . 1 . . . . . 152 ILE H . 52183 1 48 . 1 . 1 15 15 ILE CA C 13 61.426 0.3 . 1 . . . . . 152 ILE CA . 52183 1 49 . 1 . 1 15 15 ILE CB C 13 38.331 0.3 . 1 . . . . . 152 ILE CB . 52183 1 50 . 1 . 1 15 15 ILE N N 15 121.385 0.3 . 1 . . . . . 152 ILE N . 52183 1 51 . 1 . 1 16 16 ILE H H 1 8.166 0.020 . 1 . . . . . 153 ILE H . 52183 1 52 . 1 . 1 16 16 ILE CA C 13 61.271 0.3 . 1 . . . . . 153 ILE CA . 52183 1 53 . 1 . 1 16 16 ILE CB C 13 38.261 0.3 . 1 . . . . . 153 ILE CB . 52183 1 54 . 1 . 1 16 16 ILE N N 15 124.670 0.3 . 1 . . . . . 153 ILE N . 52183 1 55 . 1 . 1 17 17 THR H H 1 8.167 0.020 . 1 . . . . . 154 THR H . 52183 1 56 . 1 . 1 17 17 THR CA C 13 61.886 0.3 . 1 . . . . . 154 THR CA . 52183 1 57 . 1 . 1 17 17 THR CB C 13 69.654 0.3 . 1 . . . . . 154 THR CB . 52183 1 58 . 1 . 1 17 17 THR N N 15 117.287 0.3 . 1 . . . . . 154 THR N . 52183 1 59 . 1 . 1 18 18 ASN H H 1 8.466 0.020 . 1 . . . . . 155 ASN H . 52183 1 60 . 1 . 1 18 18 ASN CA C 13 53.228 0.3 . 1 . . . . . 155 ASN CA . 52183 1 61 . 1 . 1 18 18 ASN CB C 13 39.171 0.3 . 1 . . . . . 155 ASN CB . 52183 1 62 . 1 . 1 18 18 ASN N N 15 121.578 0.3 . 1 . . . . . 155 ASN N . 52183 1 63 . 1 . 1 19 19 GLY H H 1 8.262 0.020 . 1 . . . . . 156 GLY H . 52183 1 64 . 1 . 1 19 19 GLY CA C 13 45.247 0.3 . 1 . . . . . 156 GLY CA . 52183 1 65 . 1 . 1 19 19 GLY N N 15 108.690 0.3 . 1 . . . . . 156 GLY N . 52183 1 66 . 1 . 1 20 20 PHE H H 1 8.057 0.020 . 1 . . . . . 157 PHE H . 52183 1 67 . 1 . 1 20 20 PHE CA C 13 57.793 0.3 . 1 . . . . . 157 PHE CA . 52183 1 68 . 1 . 1 20 20 PHE CB C 13 39.533 0.3 . 1 . . . . . 157 PHE CB . 52183 1 69 . 1 . 1 20 20 PHE N N 15 119.805 0.3 . 1 . . . . . 157 PHE N . 52183 1 70 . 1 . 1 21 21 HIS H H 1 8.232 0.020 . 1 . . . . . 158 HIS H . 52183 1 71 . 1 . 1 21 21 HIS CA C 13 55.700 0.3 . 1 . . . . . 158 HIS CA . 52183 1 72 . 1 . 1 21 21 HIS CB C 13 30.336 0.3 . 1 . . . . . 158 HIS CB . 52183 1 73 . 1 . 1 21 21 HIS N N 15 121.054 0.3 . 1 . . . . . 158 HIS N . 52183 1 74 . 1 . 1 22 22 SER H H 1 8.315 0.020 . 1 . . . . . 159 SER H . 52183 1 75 . 1 . 1 22 22 SER CA C 13 58.500 0.3 . 1 . . . . . 159 SER CA . 52183 1 76 . 1 . 1 22 22 SER CB C 13 63.786 0.3 . 1 . . . . . 159 SER CB . 52183 1 77 . 1 . 1 22 22 SER N N 15 117.569 0.3 . 1 . . . . . 159 SER N . 52183 1 78 . 1 . 1 23 23 CYS H H 1 8.541 0.020 . 1 . . . . . 160 CYS H . 52183 1 79 . 1 . 1 23 23 CYS CA C 13 58.483 0.3 . 1 . . . . . 160 CYS CA . 52183 1 80 . 1 . 1 23 23 CYS CB C 13 28.073 0.3 . 1 . . . . . 160 CYS CB . 52183 1 81 . 1 . 1 23 23 CYS N N 15 121.133 0.3 . 1 . . . . . 160 CYS N . 52183 1 82 . 1 . 1 24 24 GLU H H 1 8.577 0.020 . 1 . . . . . 161 GLU H . 52183 1 83 . 1 . 1 24 24 GLU CA C 13 57.100 0.3 . 1 . . . . . 161 GLU CA . 52183 1 84 . 1 . 1 24 24 GLU CB C 13 30.051 0.3 . 1 . . . . . 161 GLU CB . 52183 1 85 . 1 . 1 24 24 GLU N N 15 123.069 0.3 . 1 . . . . . 161 GLU N . 52183 1 86 . 1 . 1 25 25 SER H H 1 8.296 0.020 . 1 . . . . . 162 SER H . 52183 1 87 . 1 . 1 25 25 SER CA C 13 58.437 0.3 . 1 . . . . . 162 SER CA . 52183 1 88 . 1 . 1 25 25 SER CB C 13 63.917 0.3 . 1 . . . . . 162 SER CB . 52183 1 89 . 1 . 1 25 25 SER N N 15 116.096 0.3 . 1 . . . . . 162 SER N . 52183 1 90 . 1 . 1 26 26 ASP H H 1 8.379 0.020 . 1 . . . . . 163 ASP H . 52183 1 91 . 1 . 1 26 26 ASP CA C 13 54.647 0.3 . 1 . . . . . 163 ASP CA . 52183 1 92 . 1 . 1 26 26 ASP CB C 13 41.110 0.3 . 1 . . . . . 163 ASP CB . 52183 1 93 . 1 . 1 26 26 ASP N N 15 122.732 0.3 . 1 . . . . . 163 ASP N . 52183 1 94 . 1 . 1 27 27 GLU H H 1 8.306 0.020 . 1 . . . . . 164 GLU H . 52183 1 95 . 1 . 1 27 27 GLU CA C 13 57.239 0.3 . 1 . . . . . 164 GLU CA . 52183 1 96 . 1 . 1 27 27 GLU CB C 13 30.146 0.3 . 1 . . . . . 164 GLU CB . 52183 1 97 . 1 . 1 27 27 GLU N N 15 120.731 0.3 . 1 . . . . . 164 GLU N . 52183 1 98 . 1 . 1 29 29 ASP H H 1 8.338 0.020 . 1 . . . . . 166 ASP H . 52183 1 99 . 1 . 1 29 29 ASP CA C 13 54.738 0.3 . 1 . . . . . 166 ASP CA . 52183 1 100 . 1 . 1 29 29 ASP CB C 13 40.939 0.3 . 1 . . . . . 166 ASP CB . 52183 1 101 . 1 . 1 29 29 ASP N N 15 121.107 0.3 . 1 . . . . . 166 ASP N . 52183 1 102 . 1 . 1 30 30 ARG H H 1 8.212 0.020 . 1 . . . . . 167 ARG H . 52183 1 103 . 1 . 1 30 30 ARG CA C 13 56.794 0.3 . 1 . . . . . 167 ARG CA . 52183 1 104 . 1 . 1 30 30 ARG CB C 13 30.336 0.3 . 1 . . . . . 167 ARG CB . 52183 1 105 . 1 . 1 30 30 ARG N N 15 121.621 0.3 . 1 . . . . . 167 ARG N . 52183 1 106 . 1 . 1 31 31 ALA H H 1 8.215 0.020 . 1 . . . . . 168 ALA H . 52183 1 107 . 1 . 1 31 31 ALA CA C 13 53.148 0.3 . 1 . . . . . 168 ALA CA . 52183 1 108 . 1 . 1 31 31 ALA CB C 13 18.867 0.3 . 1 . . . . . 168 ALA CB . 52183 1 109 . 1 . 1 31 31 ALA N N 15 123.363 0.3 . 1 . . . . . 168 ALA N . 52183 1 110 . 1 . 1 32 32 SER H H 1 8.077 0.020 . 1 . . . . . 169 SER H . 52183 1 111 . 1 . 1 32 32 SER CA C 13 58.759 0.3 . 1 . . . . . 169 SER CA . 52183 1 112 . 1 . 1 32 32 SER CB C 13 63.556 0.3 . 1 . . . . . 169 SER CB . 52183 1 113 . 1 . 1 32 32 SER N N 15 113.985 0.3 . 1 . . . . . 169 SER N . 52183 1 114 . 1 . 1 34 34 ALA H H 1 8.127 0.020 . 1 . . . . . 171 ALA H . 52183 1 115 . 1 . 1 34 34 ALA CA C 13 52.877 0.3 . 1 . . . . . 171 ALA CA . 52183 1 116 . 1 . 1 34 34 ALA CB C 13 19.119 0.3 . 1 . . . . . 171 ALA CB . 52183 1 117 . 1 . 1 34 34 ALA N N 15 124.565 0.3 . 1 . . . . . 171 ALA N . 52183 1 118 . 1 . 1 35 35 SER H H 1 8.342 0.020 . 1 . . . . . 172 SER H . 52183 1 119 . 1 . 1 35 35 SER CA C 13 58.392 0.3 . 1 . . . . . 172 SER CA . 52183 1 120 . 1 . 1 35 35 SER CB C 13 63.913 0.3 . 1 . . . . . 172 SER CB . 52183 1 121 . 1 . 1 35 35 SER N N 15 114.851 0.3 . 1 . . . . . 172 SER N . 52183 1 122 . 1 . 1 36 36 SER H H 1 8.265 0.020 . 1 . . . . . 173 SER H . 52183 1 123 . 1 . 1 36 36 SER CA C 13 58.423 0.3 . 1 . . . . . 173 SER CA . 52183 1 124 . 1 . 1 36 36 SER CB C 13 63.800 0.3 . 1 . . . . . 173 SER CB . 52183 1 125 . 1 . 1 36 36 SER N N 15 117.463 0.3 . 1 . . . . . 173 SER N . 52183 1 126 . 1 . 1 37 37 SER H H 1 8.359 0.020 . 1 . . . . . 174 SER H . 52183 1 127 . 1 . 1 37 37 SER CA C 13 58.625 0.3 . 1 . . . . . 174 SER CA . 52183 1 128 . 1 . 1 37 37 SER CB C 13 63.762 0.3 . 1 . . . . . 174 SER CB . 52183 1 129 . 1 . 1 37 37 SER N N 15 117.682 0.3 . 1 . . . . . 174 SER N . 52183 1 130 . 1 . 1 38 38 ASP H H 1 8.212 0.020 . 1 . . . . . 175 ASP H . 52183 1 131 . 1 . 1 38 38 ASP CA C 13 54.447 0.3 . 1 . . . . . 175 ASP CA . 52183 1 132 . 1 . 1 38 38 ASP CB C 13 40.996 0.3 . 1 . . . . . 175 ASP CB . 52183 1 133 . 1 . 1 38 38 ASP N N 15 121.584 0.3 . 1 . . . . . 175 ASP N . 52183 1 134 . 1 . 1 39 39 TRP H H 1 8.008 0.020 . 1 . . . . . 176 TRP H . 52183 1 135 . 1 . 1 39 39 TRP CA C 13 57.521 0.3 . 1 . . . . . 176 TRP CA . 52183 1 136 . 1 . 1 39 39 TRP CB C 13 29.478 0.3 . 1 . . . . . 176 TRP CB . 52183 1 137 . 1 . 1 39 39 TRP N N 15 121.527 0.3 . 1 . . . . . 176 TRP N . 52183 1 138 . 1 . 1 40 40 THR H H 1 7.673 0.020 . 1 . . . . . 177 THR H . 52183 1 139 . 1 . 1 40 40 THR CA C 13 59.360 0.3 . 1 . . . . . 177 THR CA . 52183 1 140 . 1 . 1 40 40 THR CB C 13 70.063 0.3 . 1 . . . . . 177 THR CB . 52183 1 141 . 1 . 1 40 40 THR N N 15 119.426 0.3 . 1 . . . . . 177 THR N . 52183 1 142 . 1 . 1 42 42 ARG H H 1 8.296 0.020 . 1 . . . . . 179 ARG H . 52183 1 143 . 1 . 1 42 42 ARG CA C 13 53.745 0.3 . 1 . . . . . 179 ARG CA . 52183 1 144 . 1 . 1 42 42 ARG CB C 13 30.141 0.3 . 1 . . . . . 179 ARG CB . 52183 1 145 . 1 . 1 42 42 ARG N N 15 122.380 0.3 . 1 . . . . . 179 ARG N . 52183 1 stop_ save_