data_52178 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52178 _Entry.Title ; SIRT1 1-54 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-18 _Entry.Accession_date 2023-10-18 _Entry.Last_release_date 2023-10-18 _Entry.Original_release_date 2023-10-18 _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 1 _Entry.Generated_software_label $software_1 _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 . C. . . 52178 2 Angela Gronenborn . M. . . 52178 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52178 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 127 52178 '15N chemical shifts' 46 52178 '1H chemical shifts' 46 52178 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 . 52178 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52181 'SIRT1 1-84' 52178 BMRB 52182 'SIRT1 1-124' 52178 BMRB 52183 'SIRT1 141-233' 52178 BMRB 52184 'SIRT1 109-233' 52178 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52178 _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. . . 52178 1 2 You-Jin Choi Y. J. . . 52178 1 3 'Yong Joon' Kim Y. J. . . 52178 1 4 Yunhan Yang Y. . . . 52178 1 5 Christopher DeHaven C. . . . 52178 1 6 Lariah Thompson L. . . . 52178 1 7 Ryan Ponticelli R. . . . 52178 1 8 Mara Mermigos M. M. . . 52178 1 9 Laurel Thomas L. . . . 52178 1 10 Andrea Marquez A. . . . 52178 1 11 Ian Sipula I. . . . 52178 1 12 'Jongsook Kim' Kemper J. K. . . 52178 1 13 Michael Jurczak M. . . . 52178 1 14 Gary Thomas G. . . . 52178 1 15 Angela Gronenborn A. M. . . 52178 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52178 _Assembly.ID 1 _Assembly.Name 'SIRT1 1-54' _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 1-54' 1 $entity_1 . . yes native no no . . . 52178 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52178 _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 ; SEFMADEAALALQPGGSPSA AGADREAASSPAGEPLRKRP RRDGPGLERSPGEPGGA ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details n/a _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 . 52178 1 2 -1 GLU . 52178 1 3 0 PHE . 52178 1 4 1 MET . 52178 1 5 2 ALA . 52178 1 6 3 ASP . 52178 1 7 4 GLU . 52178 1 8 5 ALA . 52178 1 9 6 ALA . 52178 1 10 7 LEU . 52178 1 11 8 ALA . 52178 1 12 9 LEU . 52178 1 13 10 GLN . 52178 1 14 11 PRO . 52178 1 15 12 GLY . 52178 1 16 13 GLY . 52178 1 17 14 SER . 52178 1 18 15 PRO . 52178 1 19 16 SER . 52178 1 20 17 ALA . 52178 1 21 18 ALA . 52178 1 22 19 GLY . 52178 1 23 20 ALA . 52178 1 24 21 ASP . 52178 1 25 22 ARG . 52178 1 26 23 GLU . 52178 1 27 24 ALA . 52178 1 28 25 ALA . 52178 1 29 26 SER . 52178 1 30 27 SER . 52178 1 31 28 PRO . 52178 1 32 29 ALA . 52178 1 33 30 GLY . 52178 1 34 31 GLU . 52178 1 35 32 PRO . 52178 1 36 33 LEU . 52178 1 37 34 ARG . 52178 1 38 35 LYS . 52178 1 39 36 ARG . 52178 1 40 37 PRO . 52178 1 41 38 ARG . 52178 1 42 39 ARG . 52178 1 43 40 ASP . 52178 1 44 41 GLY . 52178 1 45 42 PRO . 52178 1 46 43 GLY . 52178 1 47 44 LEU . 52178 1 48 45 GLU . 52178 1 49 46 ARG . 52178 1 50 47 SER . 52178 1 51 48 PRO . 52178 1 52 49 GLY . 52178 1 53 50 GLU . 52178 1 54 51 PRO . 52178 1 55 52 GLY . 52178 1 56 53 GLY . 52178 1 57 54 ALA . 52178 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 52178 1 . GLU 2 2 52178 1 . PHE 3 3 52178 1 . MET 4 4 52178 1 . ALA 5 5 52178 1 . ASP 6 6 52178 1 . GLU 7 7 52178 1 . ALA 8 8 52178 1 . ALA 9 9 52178 1 . LEU 10 10 52178 1 . ALA 11 11 52178 1 . LEU 12 12 52178 1 . GLN 13 13 52178 1 . PRO 14 14 52178 1 . GLY 15 15 52178 1 . GLY 16 16 52178 1 . SER 17 17 52178 1 . PRO 18 18 52178 1 . SER 19 19 52178 1 . ALA 20 20 52178 1 . ALA 21 21 52178 1 . GLY 22 22 52178 1 . ALA 23 23 52178 1 . ASP 24 24 52178 1 . ARG 25 25 52178 1 . GLU 26 26 52178 1 . ALA 27 27 52178 1 . ALA 28 28 52178 1 . SER 29 29 52178 1 . SER 30 30 52178 1 . PRO 31 31 52178 1 . ALA 32 32 52178 1 . GLY 33 33 52178 1 . GLU 34 34 52178 1 . PRO 35 35 52178 1 . LEU 36 36 52178 1 . ARG 37 37 52178 1 . LYS 38 38 52178 1 . ARG 39 39 52178 1 . PRO 40 40 52178 1 . ARG 41 41 52178 1 . ARG 42 42 52178 1 . ASP 43 43 52178 1 . GLY 44 44 52178 1 . PRO 45 45 52178 1 . GLY 46 46 52178 1 . LEU 47 47 52178 1 . GLU 48 48 52178 1 . ARG 49 49 52178 1 . SER 50 50 52178 1 . PRO 51 51 52178 1 . GLY 52 52 52178 1 . GLU 53 53 52178 1 . PRO 54 54 52178 1 . GLY 55 55 52178 1 . GLY 56 56 52178 1 . ALA 57 57 52178 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 52178 _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 . . . . . . . . . . . . . 52178 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 52178 _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 . . 'Vector is modified and GST tag is not present' 52178 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52178 _Sample.ID 1 _Sample.Name 'SIRT1 1-54' _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 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 52178 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52178 1 3 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 52178 1 4 'SIRt1 1-54' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 52178 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 52178 _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 52178 1 pH 7 . pH 52178 1 pressure 1 . atm 52178 1 temperature 298 . K 52178 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52178 _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 . 52178 1 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 52178 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 52178 _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 no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52178 1 2 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52178 1 3 '3D HNCOCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52178 1 4 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52178 1 5 '3D HNCACO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52178 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 52178 _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 external indirect 0.251449530 . . . . . 52178 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 52178 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 52178 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 52178 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SIRT1 1-54 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' . . . 52178 1 3 '3D HNCOCACB' . . . 52178 1 4 '3D HNCO' . . . 52178 1 5 '3D HNCACO' . . . 52178 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 . . 52178 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 8.322 0.020 . 1 . . . . . 0 PHE H . 52178 1 2 . 1 . 1 3 3 PHE C C 13 175.421 0.3 . 1 . . . . . 0 PHE C . 52178 1 3 . 1 . 1 3 3 PHE CA C 13 57.822 0.3 . 1 . . . . . 0 PHE CA . 52178 1 4 . 1 . 1 3 3 PHE CB C 13 39.535 0.3 . 1 . . . . . 0 PHE CB . 52178 1 5 . 1 . 1 3 3 PHE N N 15 120.862 0.3 . 1 . . . . . 0 PHE N . 52178 1 6 . 1 . 1 4 4 MET H H 1 8.225 0.020 . 1 . . . . . 1 MET H . 52178 1 7 . 1 . 1 4 4 MET C C 13 175.353 0.3 . 1 . . . . . 1 MET C . 52178 1 8 . 1 . 1 4 4 MET CA C 13 55.073 0.3 . 1 . . . . . 1 MET CA . 52178 1 9 . 1 . 1 4 4 MET CB C 13 33.022 0.3 . 1 . . . . . 1 MET CB . 52178 1 10 . 1 . 1 4 4 MET N N 15 122.887 0.3 . 1 . . . . . 1 MET N . 52178 1 11 . 1 . 1 5 5 ALA H H 1 8.283 0.020 . 1 . . . . . 2 ALA H . 52178 1 12 . 1 . 1 5 5 ALA C C 13 177.435 0.3 . 1 . . . . . 2 ALA C . 52178 1 13 . 1 . 1 5 5 ALA CA C 13 52.669 0.3 . 1 . . . . . 2 ALA CA . 52178 1 14 . 1 . 1 5 5 ALA CB C 13 19.181 0.3 . 1 . . . . . 2 ALA CB . 52178 1 15 . 1 . 1 5 5 ALA N N 15 125.671 0.3 . 1 . . . . . 2 ALA N . 52178 1 16 . 1 . 1 6 6 ASP H H 1 8.295 0.020 . 1 . . . . . 3 ASP H . 52178 1 17 . 1 . 1 6 6 ASP C C 13 176.685 0.3 . 1 . . . . . 3 ASP C . 52178 1 18 . 1 . 1 6 6 ASP CA C 13 54.418 0.3 . 1 . . . . . 3 ASP CA . 52178 1 19 . 1 . 1 6 6 ASP CB C 13 41.004 0.3 . 1 . . . . . 3 ASP CB . 52178 1 20 . 1 . 1 6 6 ASP N N 15 119.699 0.3 . 1 . . . . . 3 ASP N . 52178 1 21 . 1 . 1 7 7 GLU H H 1 8.409 0.020 . 1 . . . . . 4 GLU H . 52178 1 22 . 1 . 1 7 7 GLU C C 13 177.171 0.3 . 1 . . . . . 4 GLU C . 52178 1 23 . 1 . 1 7 7 GLU CA C 13 57.689 0.3 . 1 . . . . . 4 GLU CA . 52178 1 24 . 1 . 1 7 7 GLU CB C 13 29.851 0.3 . 1 . . . . . 4 GLU CB . 52178 1 25 . 1 . 1 7 7 GLU N N 15 121.632 0.3 . 1 . . . . . 4 GLU N . 52178 1 26 . 1 . 1 8 8 ALA H H 1 8.217 0.020 . 1 . . . . . 5 ALA H . 52178 1 27 . 1 . 1 8 8 ALA C C 13 178.324 0.3 . 1 . . . . . 5 ALA C . 52178 1 28 . 1 . 1 8 8 ALA CA C 13 53.376 0.3 . 1 . . . . . 5 ALA CA . 52178 1 29 . 1 . 1 8 8 ALA CB C 13 18.784 0.3 . 1 . . . . . 5 ALA CB . 52178 1 30 . 1 . 1 8 8 ALA N N 15 123.807 0.3 . 1 . . . . . 5 ALA N . 52178 1 31 . 1 . 1 9 9 ALA H H 1 7.975 0.020 . 1 . . . . . 6 ALA H . 52178 1 32 . 1 . 1 9 9 ALA C C 13 178.562 0.3 . 1 . . . . . 6 ALA C . 52178 1 33 . 1 . 1 9 9 ALA CA C 13 53.130 0.3 . 1 . . . . . 6 ALA CA . 52178 1 34 . 1 . 1 9 9 ALA CB C 13 18.838 0.3 . 1 . . . . . 6 ALA CB . 52178 1 35 . 1 . 1 9 9 ALA N N 15 121.689 0.3 . 1 . . . . . 6 ALA N . 52178 1 36 . 1 . 1 10 10 LEU H H 1 7.917 0.020 . 1 . . . . . 7 LEU H . 52178 1 37 . 1 . 1 10 10 LEU C C 13 177.526 0.3 . 1 . . . . . 7 LEU C . 52178 1 38 . 1 . 1 10 10 LEU CA C 13 55.680 0.3 . 1 . . . . . 7 LEU CA . 52178 1 39 . 1 . 1 10 10 LEU CB C 13 42.191 0.3 . 1 . . . . . 7 LEU CB . 52178 1 40 . 1 . 1 10 10 LEU N N 15 120.072 0.3 . 1 . . . . . 7 LEU N . 52178 1 41 . 1 . 1 11 11 ALA H H 1 7.952 0.020 . 1 . . . . . 8 ALA H . 52178 1 42 . 1 . 1 11 11 ALA C C 13 177.551 0.3 . 1 . . . . . 8 ALA C . 52178 1 43 . 1 . 1 11 11 ALA CA C 13 52.545 0.3 . 1 . . . . . 8 ALA CA . 52178 1 44 . 1 . 1 11 11 ALA CB C 13 18.952 0.3 . 1 . . . . . 8 ALA CB . 52178 1 45 . 1 . 1 11 11 ALA N N 15 123.089 0.3 . 1 . . . . . 8 ALA N . 52178 1 46 . 1 . 1 12 12 LEU H H 1 7.911 0.020 . 1 . . . . . 9 LEU H . 52178 1 47 . 1 . 1 12 12 LEU C C 13 177.205 0.3 . 1 . . . . . 9 LEU C . 52178 1 48 . 1 . 1 12 12 LEU CA C 13 54.934 0.3 . 1 . . . . . 9 LEU CA . 52178 1 49 . 1 . 1 12 12 LEU CB C 13 42.364 0.3 . 1 . . . . . 9 LEU CB . 52178 1 50 . 1 . 1 12 12 LEU N N 15 120.196 0.3 . 1 . . . . . 9 LEU N . 52178 1 51 . 1 . 1 13 13 GLN H H 1 8.202 0.020 . 1 . . . . . 10 GLN H . 52178 1 52 . 1 . 1 13 13 GLN C C 13 174.064 0.3 . 1 . . . . . 10 GLN C . 52178 1 53 . 1 . 1 13 13 GLN CA C 13 53.494 0.3 . 1 . . . . . 10 GLN CA . 52178 1 54 . 1 . 1 13 13 GLN CB C 13 28.655 0.3 . 1 . . . . . 10 GLN CB . 52178 1 55 . 1 . 1 13 13 GLN N N 15 121.615 0.3 . 1 . . . . . 10 GLN N . 52178 1 56 . 1 . 1 15 15 GLY H H 1 8.569 0.020 . 1 . . . . . 12 GLY H . 52178 1 57 . 1 . 1 15 15 GLY C C 13 174.766 0.3 . 1 . . . . . 12 GLY C . 52178 1 58 . 1 . 1 15 15 GLY CA C 13 45.273 0.3 . 1 . . . . . 12 GLY CA . 52178 1 59 . 1 . 1 15 15 GLY N N 15 109.767 0.3 . 1 . . . . . 12 GLY N . 52178 1 60 . 1 . 1 16 16 GLY H H 1 8.268 0.020 . 1 . . . . . 13 GLY H . 52178 1 61 . 1 . 1 16 16 GLY C C 13 173.827 0.3 . 1 . . . . . 13 GLY C . 52178 1 62 . 1 . 1 16 16 GLY CA C 13 45.051 0.3 . 1 . . . . . 13 GLY CA . 52178 1 63 . 1 . 1 16 16 GLY N N 15 108.569 0.3 . 1 . . . . . 13 GLY N . 52178 1 64 . 1 . 1 17 17 SER H H 1 8.258 0.020 . 1 . . . . . 14 SER H . 52178 1 65 . 1 . 1 17 17 SER C C 13 172.730 0.3 . 1 . . . . . 14 SER C . 52178 1 66 . 1 . 1 17 17 SER CA C 13 56.359 0.3 . 1 . . . . . 14 SER CA . 52178 1 67 . 1 . 1 17 17 SER CB C 13 63.491 0.3 . 1 . . . . . 14 SER CB . 52178 1 68 . 1 . 1 17 17 SER N N 15 116.604 0.3 . 1 . . . . . 14 SER N . 52178 1 69 . 1 . 1 19 19 SER H H 1 8.342 0.020 . 1 . . . . . 16 SER H . 52178 1 70 . 1 . 1 19 19 SER CA C 13 58.358 0.3 . 1 . . . . . 16 SER CA . 52178 1 71 . 1 . 1 19 19 SER CB C 13 63.943 0.3 . 1 . . . . . 16 SER CB . 52178 1 72 . 1 . 1 19 19 SER N N 15 115.711 0.3 . 1 . . . . . 16 SER N . 52178 1 73 . 1 . 1 20 20 ALA H H 1 8.313 0.020 . 1 . . . . . 17 ALA H . 52178 1 74 . 1 . 1 20 20 ALA C C 13 177.439 0.3 . 1 . . . . . 17 ALA C . 52178 1 75 . 1 . 1 20 20 ALA CA C 13 52.426 0.3 . 1 . . . . . 17 ALA CA . 52178 1 76 . 1 . 1 20 20 ALA CB C 13 19.121 0.3 . 1 . . . . . 17 ALA CB . 52178 1 77 . 1 . 1 20 20 ALA N N 15 126.267 0.3 . 1 . . . . . 17 ALA N . 52178 1 78 . 1 . 1 21 21 ALA H H 1 8.246 0.020 . 1 . . . . . 18 ALA H . 52178 1 79 . 1 . 1 21 21 ALA C C 13 178.283 0.3 . 1 . . . . . 18 ALA C . 52178 1 80 . 1 . 1 21 21 ALA CA C 13 52.613 0.3 . 1 . . . . . 18 ALA CA . 52178 1 81 . 1 . 1 21 21 ALA CB C 13 19.111 0.3 . 1 . . . . . 18 ALA CB . 52178 1 82 . 1 . 1 21 21 ALA N N 15 123.132 0.3 . 1 . . . . . 18 ALA N . 52178 1 83 . 1 . 1 22 22 GLY H H 1 8.330 0.020 . 1 . . . . . 19 GLY H . 52178 1 84 . 1 . 1 22 22 GLY C C 13 174.085 0.3 . 1 . . . . . 19 GLY C . 52178 1 85 . 1 . 1 22 22 GLY CA C 13 45.271 0.3 . 1 . . . . . 19 GLY CA . 52178 1 86 . 1 . 1 22 22 GLY N N 15 108.278 0.3 . 1 . . . . . 19 GLY N . 52178 1 87 . 1 . 1 23 23 ALA H H 1 8.136 0.020 . 1 . . . . . 20 ALA H . 52178 1 88 . 1 . 1 23 23 ALA C C 13 177.556 0.3 . 1 . . . . . 20 ALA C . 52178 1 89 . 1 . 1 23 23 ALA CA C 13 52.661 0.3 . 1 . . . . . 20 ALA CA . 52178 1 90 . 1 . 1 23 23 ALA CB C 13 19.246 0.3 . 1 . . . . . 20 ALA CB . 52178 1 91 . 1 . 1 23 23 ALA N N 15 123.578 0.3 . 1 . . . . . 20 ALA N . 52178 1 92 . 1 . 1 24 24 ASP H H 1 8.367 0.020 . 1 . . . . . 21 ASP H . 52178 1 93 . 1 . 1 24 24 ASP C C 13 176.456 0.3 . 1 . . . . . 21 ASP C . 52178 1 94 . 1 . 1 24 24 ASP CA C 13 54.472 0.3 . 1 . . . . . 21 ASP CA . 52178 1 95 . 1 . 1 24 24 ASP CB C 13 40.833 0.3 . 1 . . . . . 21 ASP CB . 52178 1 96 . 1 . 1 24 24 ASP N N 15 119.066 0.3 . 1 . . . . . 21 ASP N . 52178 1 97 . 1 . 1 25 25 ARG H H 1 8.174 0.020 . 1 . . . . . 22 ARG H . 52178 1 98 . 1 . 1 25 25 ARG C C 13 176.550 0.3 . 1 . . . . . 22 ARG C . 52178 1 99 . 1 . 1 25 25 ARG CA C 13 56.424 0.3 . 1 . . . . . 22 ARG CA . 52178 1 100 . 1 . 1 25 25 ARG CB C 13 30.632 0.3 . 1 . . . . . 22 ARG CB . 52178 1 101 . 1 . 1 25 25 ARG N N 15 120.988 0.3 . 1 . . . . . 22 ARG N . 52178 1 102 . 1 . 1 26 26 GLU H H 1 8.378 0.020 . 1 . . . . . 23 GLU H . 52178 1 103 . 1 . 1 26 26 GLU C C 13 176.527 0.3 . 1 . . . . . 23 GLU C . 52178 1 104 . 1 . 1 26 26 GLU CA C 13 56.771 0.3 . 1 . . . . . 23 GLU CA . 52178 1 105 . 1 . 1 26 26 GLU CB C 13 29.932 0.3 . 1 . . . . . 23 GLU CB . 52178 1 106 . 1 . 1 26 26 GLU N N 15 121.211 0.3 . 1 . . . . . 23 GLU N . 52178 1 107 . 1 . 1 27 27 ALA H H 1 8.231 0.020 . 1 . . . . . 24 ALA H . 52178 1 108 . 1 . 1 27 27 ALA C C 13 177.619 0.3 . 1 . . . . . 24 ALA C . 52178 1 109 . 1 . 1 27 27 ALA CA C 13 52.650 0.3 . 1 . . . . . 24 ALA CA . 52178 1 110 . 1 . 1 27 27 ALA CB C 13 19.106 0.3 . 1 . . . . . 24 ALA CB . 52178 1 111 . 1 . 1 27 27 ALA N N 15 124.770 0.3 . 1 . . . . . 24 ALA N . 52178 1 112 . 1 . 1 29 29 SER H H 1 8.176 0.020 . 1 . . . . . 26 SER H . 52178 1 113 . 1 . 1 29 29 SER CA C 13 58.172 0.3 . 1 . . . . . 26 SER CA . 52178 1 114 . 1 . 1 29 29 SER CB C 13 64.043 0.3 . 1 . . . . . 26 SER CB . 52178 1 115 . 1 . 1 29 29 SER N N 15 114.625 0.3 . 1 . . . . . 26 SER N . 52178 1 116 . 1 . 1 30 30 SER H H 1 8.303 0.020 . 1 . . . . . 27 SER H . 52178 1 117 . 1 . 1 30 30 SER C C 13 172.770 0.3 . 1 . . . . . 27 SER C . 52178 1 118 . 1 . 1 30 30 SER CA C 13 56.427 0.3 . 1 . . . . . 27 SER CA . 52178 1 119 . 1 . 1 30 30 SER CB C 13 63.522 0.3 . 1 . . . . . 27 SER CB . 52178 1 120 . 1 . 1 30 30 SER N N 15 118.592 0.3 . 1 . . . . . 27 SER N . 52178 1 121 . 1 . 1 32 32 ALA H H 1 8.340 0.020 . 1 . . . . . 29 ALA H . 52178 1 122 . 1 . 1 32 32 ALA C C 13 178.211 0.3 . 1 . . . . . 29 ALA C . 52178 1 123 . 1 . 1 32 32 ALA CA C 13 52.537 0.3 . 1 . . . . . 29 ALA CA . 52178 1 124 . 1 . 1 32 32 ALA CB C 13 19.116 0.3 . 1 . . . . . 29 ALA CB . 52178 1 125 . 1 . 1 32 32 ALA N N 15 123.725 0.3 . 1 . . . . . 29 ALA N . 52178 1 126 . 1 . 1 33 33 GLY H H 1 8.265 0.020 . 1 . . . . . 30 GLY H . 52178 1 127 . 1 . 1 33 33 GLY C C 13 173.791 0.3 . 1 . . . . . 30 GLY C . 52178 1 128 . 1 . 1 33 33 GLY CA C 13 44.923 0.3 . 1 . . . . . 30 GLY CA . 52178 1 129 . 1 . 1 33 33 GLY N N 15 107.881 0.3 . 1 . . . . . 30 GLY N . 52178 1 130 . 1 . 1 34 34 GLU H H 1 8.113 0.020 . 1 . . . . . 31 GLU H . 52178 1 131 . 1 . 1 34 34 GLU C C 13 174.671 0.3 . 1 . . . . . 31 GLU C . 52178 1 132 . 1 . 1 34 34 GLU CA C 13 54.543 0.3 . 1 . . . . . 31 GLU CA . 52178 1 133 . 1 . 1 34 34 GLU CB C 13 29.744 0.3 . 1 . . . . . 31 GLU CB . 52178 1 134 . 1 . 1 34 34 GLU N N 15 121.651 0.3 . 1 . . . . . 31 GLU N . 52178 1 135 . 1 . 1 36 36 LEU H H 1 8.294 0.020 . 1 . . . . . 33 LEU H . 52178 1 136 . 1 . 1 36 36 LEU C C 13 177.506 0.3 . 1 . . . . . 33 LEU C . 52178 1 137 . 1 . 1 36 36 LEU CA C 13 55.473 0.3 . 1 . . . . . 33 LEU CA . 52178 1 138 . 1 . 1 36 36 LEU CB C 13 42.104 0.3 . 1 . . . . . 33 LEU CB . 52178 1 139 . 1 . 1 36 36 LEU N N 15 121.692 0.3 . 1 . . . . . 33 LEU N . 52178 1 140 . 1 . 1 37 37 ARG H H 1 8.243 0.020 . 1 . . . . . 34 ARG H . 52178 1 141 . 1 . 1 37 37 ARG C C 13 176.054 0.3 . 1 . . . . . 34 ARG C . 52178 1 142 . 1 . 1 37 37 ARG CA C 13 55.830 0.3 . 1 . . . . . 34 ARG CA . 52178 1 143 . 1 . 1 37 37 ARG CB C 13 30.742 0.3 . 1 . . . . . 34 ARG CB . 52178 1 144 . 1 . 1 37 37 ARG N N 15 121.753 0.3 . 1 . . . . . 34 ARG N . 52178 1 145 . 1 . 1 38 38 LYS H H 1 8.285 0.020 . 1 . . . . . 35 LYS H . 52178 1 146 . 1 . 1 38 38 LYS C C 13 176.215 0.3 . 1 . . . . . 35 LYS C . 52178 1 147 . 1 . 1 38 38 LYS CA C 13 56.074 0.3 . 1 . . . . . 35 LYS CA . 52178 1 148 . 1 . 1 38 38 LYS CB C 13 33.036 0.3 . 1 . . . . . 35 LYS CB . 52178 1 149 . 1 . 1 38 38 LYS N N 15 122.689 0.3 . 1 . . . . . 35 LYS N . 52178 1 150 . 1 . 1 39 39 ARG H H 1 8.372 0.020 . 1 . . . . . 36 ARG H . 52178 1 151 . 1 . 1 39 39 ARG C C 13 174.137 0.3 . 1 . . . . . 36 ARG C . 52178 1 152 . 1 . 1 39 39 ARG CA C 13 53.860 0.3 . 1 . . . . . 36 ARG CA . 52178 1 153 . 1 . 1 39 39 ARG CB C 13 30.156 0.3 . 1 . . . . . 36 ARG CB . 52178 1 154 . 1 . 1 39 39 ARG N N 15 123.585 0.3 . 1 . . . . . 36 ARG N . 52178 1 155 . 1 . 1 41 41 ARG H H 1 8.454 0.020 . 1 . . . . . 38 ARG H . 52178 1 156 . 1 . 1 41 41 ARG C C 13 176.333 0.3 . 1 . . . . . 38 ARG C . 52178 1 157 . 1 . 1 41 41 ARG CA C 13 56.197 0.3 . 1 . . . . . 38 ARG CA . 52178 1 158 . 1 . 1 41 41 ARG CB C 13 30.884 0.3 . 1 . . . . . 38 ARG CB . 52178 1 159 . 1 . 1 41 41 ARG N N 15 121.711 0.3 . 1 . . . . . 38 ARG N . 52178 1 160 . 1 . 1 42 42 ARG H H 1 8.508 0.020 . 1 . . . . . 39 ARG H . 52178 1 161 . 1 . 1 42 42 ARG C C 13 175.607 0.3 . 1 . . . . . 39 ARG C . 52178 1 162 . 1 . 1 42 42 ARG CA C 13 56.061 0.3 . 1 . . . . . 39 ARG CA . 52178 1 163 . 1 . 1 42 42 ARG CB C 13 30.848 0.3 . 1 . . . . . 39 ARG CB . 52178 1 164 . 1 . 1 42 42 ARG N N 15 122.817 0.3 . 1 . . . . . 39 ARG N . 52178 1 165 . 1 . 1 43 43 ASP H H 1 8.378 0.020 . 1 . . . . . 40 ASP H . 52178 1 166 . 1 . 1 43 43 ASP C C 13 176.001 0.3 . 1 . . . . . 40 ASP C . 52178 1 167 . 1 . 1 43 43 ASP CA C 13 54.016 0.3 . 1 . . . . . 40 ASP CA . 52178 1 168 . 1 . 1 43 43 ASP CB C 13 41.445 0.3 . 1 . . . . . 40 ASP CB . 52178 1 169 . 1 . 1 43 43 ASP N N 15 121.326 0.3 . 1 . . . . . 40 ASP N . 52178 1 170 . 1 . 1 44 44 GLY H H 1 8.110 0.020 . 1 . . . . . 41 GLY H . 52178 1 171 . 1 . 1 44 44 GLY C C 13 171.766 0.3 . 1 . . . . . 41 GLY C . 52178 1 172 . 1 . 1 44 44 GLY CA C 13 44.693 0.3 . 1 . . . . . 41 GLY CA . 52178 1 173 . 1 . 1 44 44 GLY N N 15 108.842 0.3 . 1 . . . . . 41 GLY N . 52178 1 174 . 1 . 1 46 46 GLY H H 1 8.532 0.020 . 1 . . . . . 43 GLY H . 52178 1 175 . 1 . 1 46 46 GLY C C 13 174.111 0.3 . 1 . . . . . 43 GLY C . 52178 1 176 . 1 . 1 46 46 GLY CA C 13 45.394 0.3 . 1 . . . . . 43 GLY CA . 52178 1 177 . 1 . 1 46 46 GLY N N 15 109.334 0.3 . 1 . . . . . 43 GLY N . 52178 1 178 . 1 . 1 47 47 LEU H H 1 8.075 0.020 . 1 . . . . . 44 LEU H . 52178 1 179 . 1 . 1 47 47 LEU C C 13 177.394 0.3 . 1 . . . . . 44 LEU C . 52178 1 180 . 1 . 1 47 47 LEU CA C 13 55.077 0.3 . 1 . . . . . 44 LEU CA . 52178 1 181 . 1 . 1 47 47 LEU CB C 13 42.414 0.3 . 1 . . . . . 44 LEU CB . 52178 1 182 . 1 . 1 47 47 LEU N N 15 121.481 0.3 . 1 . . . . . 44 LEU N . 52178 1 183 . 1 . 1 48 48 GLU H H 1 8.499 0.020 . 1 . . . . . 45 GLU H . 52178 1 184 . 1 . 1 48 48 GLU C C 13 176.253 0.3 . 1 . . . . . 45 GLU C . 52178 1 185 . 1 . 1 48 48 GLU CA C 13 56.714 0.3 . 1 . . . . . 45 GLU CA . 52178 1 186 . 1 . 1 48 48 GLU CB C 13 30.019 0.3 . 1 . . . . . 45 GLU CB . 52178 1 187 . 1 . 1 48 48 GLU N N 15 121.677 0.3 . 1 . . . . . 45 GLU N . 52178 1 188 . 1 . 1 49 49 ARG H H 1 8.339 0.020 . 1 . . . . . 46 ARG H . 52178 1 189 . 1 . 1 49 49 ARG C C 13 176.077 0.3 . 1 . . . . . 46 ARG C . 52178 1 190 . 1 . 1 49 49 ARG CA C 13 55.718 0.3 . 1 . . . . . 46 ARG CA . 52178 1 191 . 1 . 1 49 49 ARG CB C 13 30.975 0.3 . 1 . . . . . 46 ARG CB . 52178 1 192 . 1 . 1 49 49 ARG N N 15 122.068 0.3 . 1 . . . . . 46 ARG N . 52178 1 193 . 1 . 1 50 50 SER H H 1 8.523 0.020 . 1 . . . . . 47 SER H . 52178 1 194 . 1 . 1 50 50 SER C C 13 172.808 0.3 . 1 . . . . . 47 SER C . 52178 1 195 . 1 . 1 50 50 SER CA C 13 56.641 0.3 . 1 . . . . . 47 SER CA . 52178 1 196 . 1 . 1 50 50 SER CB C 13 63.337 0.3 . 1 . . . . . 47 SER CB . 52178 1 197 . 1 . 1 50 50 SER N N 15 119.190 0.3 . 1 . . . . . 47 SER N . 52178 1 198 . 1 . 1 52 52 GLY H H 1 8.425 0.020 . 1 . . . . . 49 GLY H . 52178 1 199 . 1 . 1 52 52 GLY C C 13 173.876 0.3 . 1 . . . . . 49 GLY C . 52178 1 200 . 1 . 1 52 52 GLY CA C 13 44.932 0.3 . 1 . . . . . 49 GLY CA . 52178 1 201 . 1 . 1 52 52 GLY N N 15 109.216 0.3 . 1 . . . . . 49 GLY N . 52178 1 202 . 1 . 1 53 53 GLU H H 1 8.055 0.020 . 1 . . . . . 50 GLU H . 52178 1 203 . 1 . 1 53 53 GLU C C 13 174.848 0.3 . 1 . . . . . 50 GLU C . 52178 1 204 . 1 . 1 53 53 GLU CA C 13 54.317 0.3 . 1 . . . . . 50 GLU CA . 52178 1 205 . 1 . 1 53 53 GLU CB C 13 29.732 0.3 . 1 . . . . . 50 GLU CB . 52178 1 206 . 1 . 1 53 53 GLU N N 15 121.654 0.3 . 1 . . . . . 50 GLU N . 52178 1 207 . 1 . 1 55 55 GLY H H 1 8.550 0.020 . 1 . . . . . 52 GLY H . 52178 1 208 . 1 . 1 55 55 GLY C C 13 174.624 0.3 . 1 . . . . . 52 GLY C . 52178 1 209 . 1 . 1 55 55 GLY CA C 13 45.291 0.3 . 1 . . . . . 52 GLY CA . 52178 1 210 . 1 . 1 55 55 GLY N N 15 109.429 0.3 . 1 . . . . . 52 GLY N . 52178 1 211 . 1 . 1 56 56 GLY H H 1 8.225 0.020 . 1 . . . . . 53 GLY H . 52178 1 212 . 1 . 1 56 56 GLY C C 13 172.913 0.3 . 1 . . . . . 53 GLY C . 52178 1 213 . 1 . 1 56 56 GLY CA C 13 45.148 0.3 . 1 . . . . . 53 GLY CA . 52178 1 214 . 1 . 1 56 56 GLY N N 15 109.085 0.3 . 1 . . . . . 53 GLY N . 52178 1 215 . 1 . 1 57 57 ALA H H 1 7.898 0.020 . 1 . . . . . 54 ALA H . 52178 1 216 . 1 . 1 57 57 ALA C C 13 170.620 0.3 . 1 . . . . . 54 ALA C . 52178 1 217 . 1 . 1 57 57 ALA CA C 13 53.711 0.3 . 1 . . . . . 54 ALA CA . 52178 1 218 . 1 . 1 57 57 ALA CB C 13 20.094 0.3 . 1 . . . . . 54 ALA CB . 52178 1 219 . 1 . 1 57 57 ALA N N 15 129.240 0.3 . 1 . . . . . 54 ALA N . 52178 1 stop_ save_