data_30029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30029 _Entry.Title ; GCN4p pH 1.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-01 _Entry.Accession_date 2016-03-01 _Entry.Last_release_date 2016-03-03 _Entry.Original_release_date 2016-03-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Brady M. R. . . 30029 2 A. Kaplan A. R. . . 30029 3 A. Alexandrescu A. T. . . 30029 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Supercoil parameters' . 30029 'canonical alpha helix' . 30029 'closely related NMR structures' . 30029 'conformational transition' . 30029 electrostatics . 30029 knobs-into-holes . 30029 'leucine zipper' . 30029 'salt bridge' . 30029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 122 30029 '15N chemical shifts' 34 30029 '1H chemical shifts' 198 30029 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 . . 2017-04-25 2016-03-01 update BMRB 'update entry citation' 30029 1 . . 2017-03-09 2016-03-01 original author 'original release' 30029 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30027 'GCN4p pH 6.6' 30029 BMRB 30028 'GCN4p pH 4.4' 30029 PDB 5IIV 'BMRB Entry Tracking System' 30029 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30029 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.6b00634 _Citation.PubMed_ID 28230348 _Citation.Full_citation . _Citation.Title ; Nuclear Magnetic Resonance Structures of GCN4p Are Largely Conserved When Ion Pairs Are Disrupted at Acidic pH but Show a Relaxation of the Coiled Coil Superhelix ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 56 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0353 _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 1604 _Citation.Page_last 1619 _Citation.Year 2017 _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 Anne Kaplan A. R. . . 30029 1 2 Megan Brady M. R. . . 30029 1 3 Mark Maciejewski M. W. . . 30029 1 4 Richard Kammerer R. A. . . 30029 1 5 Andrei Alexandrescu A. T. . . 30029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30029 _Assembly.ID 1 _Assembly.Name 'General control protein GCN4' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30029 1 2 entity_2 1 $entity_1 B B yes . . . . . . 30029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30029 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMKQLEDKVEELLSKNYHL ENEVARLKKLVGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 250-280' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3835.406 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Amino acid biosynthesis regulatory protein' na 30029 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 30029 1 2 2 SER . 30029 1 3 3 MET . 30029 1 4 4 LYS . 30029 1 5 5 GLN . 30029 1 6 6 LEU . 30029 1 7 7 GLU . 30029 1 8 8 ASP . 30029 1 9 9 LYS . 30029 1 10 10 VAL . 30029 1 11 11 GLU . 30029 1 12 12 GLU . 30029 1 13 13 LEU . 30029 1 14 14 LEU . 30029 1 15 15 SER . 30029 1 16 16 LYS . 30029 1 17 17 ASN . 30029 1 18 18 TYR . 30029 1 19 19 HIS . 30029 1 20 20 LEU . 30029 1 21 21 GLU . 30029 1 22 22 ASN . 30029 1 23 23 GLU . 30029 1 24 24 VAL . 30029 1 25 25 ALA . 30029 1 26 26 ARG . 30029 1 27 27 LEU . 30029 1 28 28 LYS . 30029 1 29 29 LYS . 30029 1 30 30 LEU . 30029 1 31 31 VAL . 30029 1 32 32 GLY . 30029 1 33 33 GLU . 30029 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 . GLY 1 1 30029 1 . SER 2 2 30029 1 . MET 3 3 30029 1 . LYS 4 4 30029 1 . GLN 5 5 30029 1 . LEU 6 6 30029 1 . GLU 7 7 30029 1 . ASP 8 8 30029 1 . LYS 9 9 30029 1 . VAL 10 10 30029 1 . GLU 11 11 30029 1 . GLU 12 12 30029 1 . LEU 13 13 30029 1 . LEU 14 14 30029 1 . SER 15 15 30029 1 . LYS 16 16 30029 1 . ASN 17 17 30029 1 . TYR 18 18 30029 1 . HIS 19 19 30029 1 . LEU 20 20 30029 1 . GLU 21 21 30029 1 . ASN 22 22 30029 1 . GLU 23 23 30029 1 . VAL 24 24 30029 1 . ALA 25 25 30029 1 . ARG 26 26 30029 1 . LEU 27 27 30029 1 . LYS 28 28 30029 1 . LYS 29 29 30029 1 . LEU 30 30 30029 1 . VAL 31 31 30029 1 . GLY 32 32 30029 1 . GLU 33 33 30029 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30029 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . 'GCN4, AAS3, ARG9, YEL009C' . 30029 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30029 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30029 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30029 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 mM [U-99% 13C; U-99% 15N] GCN4p, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GCN4p '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.5 . . mM . . . . 30029 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30029 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 mM [U-99% 13C; U-99% 15N] GCN4p, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 GCN4p '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.5 . . mM . . . . 30029 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 30029 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30029 1 pH 1.5 . pH 30029 1 pressure 1 . atm 30029 1 temperature 298 . K 30029 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30029 _Sample_condition_list.ID 2 _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' 20 . mM 30029 2 pH 1.5 . pH 30029 2 pressure 1 . atm 30029 2 temperature 283 . K 30029 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30029 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30029 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30029 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30029 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30029 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30029 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30029 _Software.ID 3 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 30029 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30029 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30029 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30029 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30029 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30029 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30029 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 30029 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30029 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30029 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30029 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30029 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30029 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30029 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30029 1 7 '2D 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30029 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 30029 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30029 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30029 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30029 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 30029 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 30029 1 2 '2D 1H-15N HSQC' . . . 30029 1 3 '3D 1H-15N NOESY' . . . 30029 1 4 '3D 1H-13C NOESY' . . . 30029 1 5 '3D HNCO' . . . 30029 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 . . 30029 1 2 $software_2 . . 30029 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 169.680 0.000 . 1 . . 1 A 1 GLY C . 30029 1 2 . 1 1 2 2 SER C C 13 174.752 0.000 . 1 . . 1 A 2 SER C . 30029 1 3 . 1 1 2 2 SER CA C 13 57.736 0.000 . 1 . . 1 A 2 SER CA . 30029 1 4 . 1 1 2 2 SER CB C 13 64.548 0.000 . 1 . . 1 A 2 SER CB . 30029 1 5 . 1 1 2 2 SER H H 1 8.813 0.006 . 1 . . 1 A 2 SER H . 30029 1 6 . 1 1 2 2 SER HA H 1 4.093 0.004 . 1 . . 1 A 2 SER HA . 30029 1 7 . 1 1 2 2 SER HB3 H 1 3.709 0.000 . 2 . . 1 A 2 SER HB3 . 30029 1 8 . 1 1 2 2 SER HB2 H 1 3.896 0.009 . 2 . . 1 A 2 SER HB2 . 30029 1 9 . 1 1 2 2 SER N N 15 115.230 0.000 . 1 . . 1 A 2 SER N . 30029 1 10 . 1 1 3 3 MET C C 13 177.341 0.000 . 1 . . 1 A 3 MET C . 30029 1 11 . 1 1 3 3 MET CA C 13 58.586 0.000 . 1 . . 1 A 3 MET CA . 30029 1 12 . 1 1 3 3 MET CB C 13 31.944 0.000 . 1 . . 1 A 3 MET CB . 30029 1 13 . 1 1 3 3 MET CG C 13 30.81 0.000 . 1 . . 1 A 3 MET CG . 30029 1 14 . 1 1 3 3 MET H H 1 9.083 0.012 . 1 . . 1 A 3 MET H . 30029 1 15 . 1 1 3 3 MET HA H 1 4.358 0.009 . 1 . . 1 A 3 MET HA . 30029 1 16 . 1 1 3 3 MET HB3 H 1 2.269 0.000 . 2 . . 1 A 3 MET HB3 . 30029 1 17 . 1 1 3 3 MET HB2 H 1 2.721 0.000 . 2 . . 1 A 3 MET HB2 . 30029 1 18 . 1 1 3 3 MET HG3 H 1 1.989 0.001 . 1 . . 1 A 3 MET HG3 . 30029 1 19 . 1 1 3 3 MET N N 15 122.570 0.000 . 1 . . 1 A 3 MET N . 30029 1 20 . 1 1 4 4 LYS C C 13 178.097 0.000 . 1 . . 1 A 4 LYS C . 30029 1 21 . 1 1 4 4 LYS CA C 13 58.806 0.000 . 1 . . 1 A 4 LYS CA . 30029 1 22 . 1 1 4 4 LYS CB C 13 32.014 0.000 . 1 . . 1 A 4 LYS CB . 30029 1 23 . 1 1 4 4 LYS CG C 13 25.88 0.000 . 1 . . 1 A 4 LYS CG . 30029 1 24 . 1 1 4 4 LYS CD C 13 27.85 0.000 . 1 . . 1 A 4 LYS CD . 30029 1 25 . 1 1 4 4 LYS H H 1 8.446 0.021 . 1 . . 1 A 4 LYS H . 30029 1 26 . 1 1 4 4 LYS HA H 1 4.175 0.005 . 1 . . 1 A 4 LYS HA . 30029 1 27 . 1 1 4 4 LYS HB3 H 1 1.987 0.001 . 2 . . 1 A 4 LYS HB3 . 30029 1 28 . 1 1 4 4 LYS HB2 H 1 2.276 0.003 . 2 . . 1 A 4 LYS HB2 . 30029 1 29 . 1 1 4 4 LYS HD3 H 1 0.883 0.013 . 1 . . 1 A 4 LYS HD3 . 30029 1 30 . 1 1 4 4 LYS HD2 H 1 0.684 0.013 . 1 . . 1 A 4 LYS HD2 . 30029 1 31 . 1 1 4 4 LYS HG3 H 1 1.633 0.003 . 1 . . 1 A 4 LYS HG3 . 30029 1 32 . 1 1 4 4 LYS HG2 H 1 1.633 0.003 . 1 . . 1 A 4 LYS HG2 . 30029 1 33 . 1 1 4 4 LYS N N 15 119.155 0.000 . 1 . . 1 A 4 LYS N . 30029 1 34 . 1 1 5 5 GLN C C 13 179.232 0.000 . 1 . . 1 A 5 GLN C . 30029 1 35 . 1 1 5 5 GLN CA C 13 58.930 0.000 . 1 . . 1 A 5 GLN CA . 30029 1 36 . 1 1 5 5 GLN CB C 13 28.208 0.000 . 1 . . 1 A 5 GLN CB . 30029 1 37 . 1 1 5 5 GLN CG C 13 33.45 0.000 . 1 . . 1 A 5 GLN CG . 30029 1 38 . 1 1 5 5 GLN H H 1 7.995 0.015 . 1 . . 1 A 5 GLN H . 30029 1 39 . 1 1 5 5 GLN HA H 1 4.236 0.000 . 1 . . 1 A 5 GLN HA . 30029 1 40 . 1 1 5 5 GLN HB3 H 1 1.981 0.005 . 2 . . 1 A 5 GLN HB3 . 30029 1 41 . 1 1 5 5 GLN HB2 H 1 1.715 0.006 . 2 . . 1 A 5 GLN HB2 . 30029 1 42 . 1 1 5 5 GLN HE21 H 1 7.691 0.000 . 1 . . 1 A 5 GLN HE21 . 30029 1 43 . 1 1 5 5 GLN HE22 H 1 7.064 0.000 . 1 . . 1 A 5 GLN HE22 . 30029 1 44 . 1 1 5 5 GLN HG3 H 1 2.369 0.019 . 2 . . 1 A 5 GLN HG3 . 30029 1 45 . 1 1 5 5 GLN HG2 H 1 2.261 0.011 . 2 . . 1 A 5 GLN HG2 . 30029 1 46 . 1 1 5 5 GLN N N 15 117.233 0.000 . 1 . . 1 A 5 GLN N . 30029 1 47 . 1 1 5 5 GLN NE2 N 15 111.793 0.000 . 1 . . 1 A 5 GLN NE2 . 30029 1 48 . 1 1 6 6 LEU C C 13 178.367 0.000 . 1 . . 1 A 6 LEU C . 30029 1 49 . 1 1 6 6 LEU CA C 13 57.748 0.000 . 1 . . 1 A 6 LEU CA . 30029 1 50 . 1 1 6 6 LEU CB C 13 42.336 0.000 . 1 . . 1 A 6 LEU CB . 30029 1 51 . 1 1 6 6 LEU CD1 C 13 22.000 0.000 . 1 . . 1 A 6 LEU CD1 . 30029 1 52 . 1 1 6 6 LEU CG C 13 27.997 0.000 . 1 . . 1 A 6 LEU CG . 30029 1 53 . 1 1 6 6 LEU H H 1 8.176 0.013 . 1 . . 1 A 6 LEU H . 30029 1 54 . 1 1 6 6 LEU HA H 1 4.294 0.021 . 1 . . 1 A 6 LEU HA . 30029 1 55 . 1 1 6 6 LEU HB3 H 1 1.711 0.007 . 2 . . 1 A 6 LEU HB3 . 30029 1 56 . 1 1 6 6 LEU HB2 H 1 1.095 0.016 . 2 . . 1 A 6 LEU HB2 . 30029 1 57 . 1 1 6 6 LEU HD11 H 1 0.627 0.013 . 2 . . 1 A 6 LEU HD11 . 30029 1 58 . 1 1 6 6 LEU HD12 H 1 0.627 0.013 . 2 . . 1 A 6 LEU HD12 . 30029 1 59 . 1 1 6 6 LEU HD13 H 1 0.627 0.013 . 2 . . 1 A 6 LEU HD13 . 30029 1 60 . 1 1 6 6 LEU HD21 H 1 0.991 0.000 . 2 . . 1 A 6 LEU HD21 . 30029 1 61 . 1 1 6 6 LEU HD22 H 1 0.991 0.000 . 2 . . 1 A 6 LEU HD22 . 30029 1 62 . 1 1 6 6 LEU HD23 H 1 0.991 0.000 . 2 . . 1 A 6 LEU HD23 . 30029 1 63 . 1 1 6 6 LEU HG H 1 1.911 0.017 . 1 . . 1 A 6 LEU HG . 30029 1 64 . 1 1 6 6 LEU N N 15 121.126 0.000 . 1 . . 1 A 6 LEU N . 30029 1 65 . 1 1 7 7 GLU C C 13 178.855 0.000 . 1 . . 1 A 7 GLU C . 30029 1 66 . 1 1 7 7 GLU CA C 13 58.880 0.000 . 1 . . 1 A 7 GLU CA . 30029 1 67 . 1 1 7 7 GLU CB C 13 27.353 0.000 . 1 . . 1 A 7 GLU CB . 30029 1 68 . 1 1 7 7 GLU CG C 13 36.394 0.000 . 1 . . 1 A 7 GLU CG . 30029 1 69 . 1 1 7 7 GLU H H 1 8.735 0.011 . 1 . . 1 A 7 GLU H . 30029 1 70 . 1 1 7 7 GLU HA H 1 4.118 0.018 . 1 . . 1 A 7 GLU HA . 30029 1 71 . 1 1 7 7 GLU HB3 H 1 2.244 0.000 . 2 . . 1 A 7 GLU HB3 . 30029 1 72 . 1 1 7 7 GLU HB2 H 1 2.435 0.011 . 2 . . 1 A 7 GLU HB2 . 30029 1 73 . 1 1 7 7 GLU HG3 H 1 2.731 0.014 . 1 . . 1 A 7 GLU HG3 . 30029 1 74 . 1 1 7 7 GLU HG2 H 1 2.731 0.014 . 1 . . 1 A 7 GLU HG2 . 30029 1 75 . 1 1 7 7 GLU N N 15 118.616 0.000 . 1 . . 1 A 7 GLU N . 30029 1 76 . 1 1 8 8 ASP C C 13 176.956 0.000 . 1 . . 1 A 8 ASP C . 30029 1 77 . 1 1 8 8 ASP CA C 13 55.568 0.000 . 1 . . 1 A 8 ASP CA . 30029 1 78 . 1 1 8 8 ASP CB C 13 37.018 0.000 . 1 . . 1 A 8 ASP CB . 30029 1 79 . 1 1 8 8 ASP H H 1 8.519 0.000 . 1 . . 1 A 8 ASP H . 30029 1 80 . 1 1 8 8 ASP HA H 1 4.210 0.000 . 1 . . 1 A 8 ASP HA . 30029 1 81 . 1 1 8 8 ASP HB3 H 1 2.620 0.008 . 2 . . 1 A 8 ASP HB3 . 30029 1 82 . 1 1 8 8 ASP HB2 H 1 3.173 0.015 . 2 . . 1 A 8 ASP HB2 . 30029 1 83 . 1 1 8 8 ASP N N 15 118.107 0.000 . 1 . . 1 A 8 ASP N . 30029 1 84 . 1 1 9 9 LYS C C 13 178.158 0.000 . 1 . . 1 A 9 LYS C . 30029 1 85 . 1 1 9 9 LYS CA C 13 59.078 0.000 . 1 . . 1 A 9 LYS CA . 30029 1 86 . 1 1 9 9 LYS CB C 13 31.780 0.000 . 1 . . 1 A 9 LYS CB . 30029 1 87 . 1 1 9 9 LYS CD C 13 29.00 0.000 . 1 . . 1 A 9 LYS CD . 30029 1 88 . 1 1 9 9 LYS H H 1 8.122 0.011 . 1 . . 1 A 9 LYS H . 30029 1 89 . 1 1 9 9 LYS HA H 1 4.339 0.007 . 1 . . 1 A 9 LYS HA . 30029 1 90 . 1 1 9 9 LYS HB3 H 1 1.987 0.000 . 2 . . 1 A 9 LYS HB3 . 30029 1 91 . 1 1 9 9 LYS HB2 H 1 2.254 0.001 . 2 . . 1 A 9 LYS HB2 . 30029 1 92 . 1 1 9 9 LYS HD3 H 1 1.154 0.008 . 1 . . 1 A 9 LYS HD3 . 30029 1 93 . 1 1 9 9 LYS HG3 H 1 1.720 0.005 . 1 . . 1 A 9 LYS HG3 . 30029 1 94 . 1 1 9 9 LYS N N 15 122.467 0.000 . 1 . . 1 A 9 LYS N . 30029 1 95 . 1 1 10 10 VAL C C 13 176.849 0.000 . 1 . . 1 A 10 VAL C . 30029 1 96 . 1 1 10 10 VAL CA C 13 67.406 0.000 . 1 . . 1 A 10 VAL CA . 30029 1 97 . 1 1 10 10 VAL CB C 13 31.715 0.000 . 1 . . 1 A 10 VAL CB . 30029 1 98 . 1 1 10 10 VAL CG1 C 13 20.160 0.000 . 2 . . 1 A 10 VAL CG1 . 30029 1 99 . 1 1 10 10 VAL CG2 C 13 23.310 0.000 . 2 . . 1 A 10 VAL CG2 . 30029 1 100 . 1 1 10 10 VAL H H 1 8.546 0.010 . 1 . . 1 A 10 VAL H . 30029 1 101 . 1 1 10 10 VAL HA H 1 3.545 0.006 . 1 . . 1 A 10 VAL HA . 30029 1 102 . 1 1 10 10 VAL HB H 1 2.264 0.000 . 1 . . 1 A 10 VAL HB . 30029 1 103 . 1 1 10 10 VAL HG11 H 1 1.172 0.001 . 2 . . 1 A 10 VAL HG11 . 30029 1 104 . 1 1 10 10 VAL HG12 H 1 1.172 0.001 . 2 . . 1 A 10 VAL HG12 . 30029 1 105 . 1 1 10 10 VAL HG13 H 1 1.172 0.001 . 2 . . 1 A 10 VAL HG13 . 30029 1 106 . 1 1 10 10 VAL HG21 H 1 1.086 0.009 . 2 . . 1 A 10 VAL HG21 . 30029 1 107 . 1 1 10 10 VAL HG22 H 1 1.086 0.009 . 2 . . 1 A 10 VAL HG22 . 30029 1 108 . 1 1 10 10 VAL HG23 H 1 1.086 0.009 . 2 . . 1 A 10 VAL HG23 . 30029 1 109 . 1 1 10 10 VAL N N 15 118.992 0.000 . 1 . . 1 A 10 VAL N . 30029 1 110 . 1 1 11 11 GLU C C 13 178.943 0.000 . 1 . . 1 A 11 GLU C . 30029 1 111 . 1 1 11 11 GLU CA C 13 58.901 0.000 . 1 . . 1 A 11 GLU CA . 30029 1 112 . 1 1 11 11 GLU CB C 13 27.692 0.000 . 1 . . 1 A 11 GLU CB . 30029 1 113 . 1 1 11 11 GLU CG C 13 37.59 0.000 . 1 . . 1 A 11 GLU CG . 30029 1 114 . 1 1 11 11 GLU H H 1 8.014 0.013 . 1 . . 1 A 11 GLU H . 30029 1 115 . 1 1 11 11 GLU HA H 1 4.197 0.000 . 1 . . 1 A 11 GLU HA . 30029 1 116 . 1 1 11 11 GLU HB2 H 1 2.14 0.004 . 1 . . 1 A 11 GLU HB2 . 30029 1 117 . 1 1 11 11 GLU HB3 H 1 2.183 0.004 . 1 . . 1 A 11 GLU HB3 . 30029 1 118 . 1 1 11 11 GLU HG3 H 1 2.427 0.021 . 1 . . 1 A 11 GLU HG3 . 30029 1 119 . 1 1 11 11 GLU N N 15 116.265 0.000 . 1 . . 1 A 11 GLU N . 30029 1 120 . 1 1 12 12 GLU C C 13 178.812 0.000 . 1 . . 1 A 12 GLU C . 30029 1 121 . 1 1 12 12 GLU CA C 13 58.777 0.000 . 1 . . 1 A 12 GLU CA . 30029 1 122 . 1 1 12 12 GLU CB C 13 27.810 0.000 . 1 . . 1 A 12 GLU CB . 30029 1 123 . 1 1 12 12 GLU CG C 13 36.05 0.000 . 1 . . 1 A 12 GLU CG . 30029 1 124 . 1 1 12 12 GLU H H 1 8.369 0.008 . 1 . . 1 A 12 GLU H . 30029 1 125 . 1 1 12 12 GLU HA H 1 4.305 0.017 . 1 . . 1 A 12 GLU HA . 30029 1 126 . 1 1 12 12 GLU HB3 H 1 2.442 0.005 . 1 . . 1 A 12 GLU HB3 . 30029 1 127 . 1 1 12 12 GLU HG3 H 1 2.719 0.000 . 2 . . 1 A 12 GLU HG3 . 30029 1 128 . 1 1 12 12 GLU HG2 H 1 2.888 0.008 . 2 . . 1 A 12 GLU HG2 . 30029 1 129 . 1 1 12 12 GLU N N 15 119.500 0.000 . 1 . . 1 A 12 GLU N . 30029 1 130 . 1 1 13 13 LEU C C 13 179.172 0.000 . 1 . . 1 A 13 LEU C . 30029 1 131 . 1 1 13 13 LEU CA C 13 57.940 0.000 . 1 . . 1 A 13 LEU CA . 30029 1 132 . 1 1 13 13 LEU CB C 13 43.340 0.000 . 1 . . 1 A 13 LEU CB . 30029 1 133 . 1 1 13 13 LEU CG C 13 26.35 0.000 . 1 . . 1 A 13 LEU CG . 30029 1 134 . 1 1 13 13 LEU CD1 C 13 24.49 0.000 . 1 . . 1 A 13 LEU CD . 30029 1 135 . 1 1 13 13 LEU H H 1 8.813 0.016 . 1 . . 1 A 13 LEU H . 30029 1 136 . 1 1 13 13 LEU HA H 1 4.187 0.005 . 1 . . 1 A 13 LEU HA . 30029 1 137 . 1 1 13 13 LEU HB3 H 1 1.437 0.001 . 2 . . 1 A 13 LEU HB3 . 30029 1 138 . 1 1 13 13 LEU HB2 H 1 1.427 0.018 . 2 . . 1 A 13 LEU HB2 . 30029 1 139 . 1 1 13 13 LEU HD11 H 1 1.077 0.007 . 1 . . 1 A 13 LEU HD11 . 30029 1 140 . 1 1 13 13 LEU HD12 H 1 1.077 0.007 . 1 . . 1 A 13 LEU HD12 . 30029 1 141 . 1 1 13 13 LEU HD13 H 1 1.077 0.007 . 1 . . 1 A 13 LEU HD13 . 30029 1 142 . 1 1 13 13 LEU HG H 1 2.091 0.012 . 1 . . 1 A 13 LEU HG . 30029 1 143 . 1 1 13 13 LEU N N 15 121.101 0.000 . 1 . . 1 A 13 LEU N . 30029 1 144 . 1 1 14 14 LEU C C 13 179.395 0.000 . 1 . . 1 A 14 LEU C . 30029 1 145 . 1 1 14 14 LEU CA C 13 58.059 0.000 . 1 . . 1 A 14 LEU CA . 30029 1 146 . 1 1 14 14 LEU CB C 13 41.862 0.000 . 1 . . 1 A 14 LEU CB . 30029 1 147 . 1 1 14 14 LEU CG C 13 25.84 0.000 . 1 . . 1 A 14 LEU CG . 30029 1 148 . 1 1 14 14 LEU CD1 C 13 26.54 0.000 . 1 . . 1 A 14 LEU CD . 30029 1 149 . 1 1 14 14 LEU H H 1 9.036 0.020 . 1 . . 1 A 14 LEU H . 30029 1 150 . 1 1 14 14 LEU HA H 1 4.205 0.000 . 1 . . 1 A 14 LEU HA . 30029 1 151 . 1 1 14 14 LEU HB3 H 1 2.074 0.002 . 2 . . 1 A 14 LEU HB3 . 30029 1 152 . 1 1 14 14 LEU HB2 H 1 1.634 0.003 . 2 . . 1 A 14 LEU HB2 . 30029 1 153 . 1 1 14 14 LEU HD11 H 1 1.075 0.004 . 1 . . 1 A 14 LEU HD11 . 30029 1 154 . 1 1 14 14 LEU HD12 H 1 1.075 0.004 . 1 . . 1 A 14 LEU HD12 . 30029 1 155 . 1 1 14 14 LEU HD13 H 1 1.075 0.004 . 1 . . 1 A 14 LEU HD13 . 30029 1 156 . 1 1 14 14 LEU HG H 1 1.439 0.002 . 1 . . 1 A 14 LEU HG . 30029 1 157 . 1 1 14 14 LEU N N 15 121.270 0.000 . 1 . . 1 A 14 LEU N . 30029 1 158 . 1 1 15 15 SER C C 13 177.473 0.000 . 1 . . 1 A 15 SER C . 30029 1 159 . 1 1 15 15 SER CA C 13 61.345 0.000 . 1 . . 1 A 15 SER CA . 30029 1 160 . 1 1 15 15 SER CB C 13 62.515 0.000 . 1 . . 1 A 15 SER CB . 30029 1 161 . 1 1 15 15 SER H H 1 7.917 0.014 . 1 . . 1 A 15 SER H . 30029 1 162 . 1 1 15 15 SER HA H 1 4.237 0.000 . 1 . . 1 A 15 SER HA . 30029 1 163 . 1 1 15 15 SER HB3 H 1 4.447 0.011 . 1 . . 1 A 15 SER HB3 . 30029 1 164 . 1 1 15 15 SER N N 15 113.887 0.000 . 1 . . 1 A 15 SER N . 30029 1 165 . 1 1 16 16 LYS C C 13 178.459 0.000 . 1 . . 1 A 16 LYS C . 30029 1 166 . 1 1 16 16 LYS CA C 13 59.507 0.000 . 1 . . 1 A 16 LYS CA . 30029 1 167 . 1 1 16 16 LYS CB C 13 32.627 0.000 . 1 . . 1 A 16 LYS CB . 30029 1 168 . 1 1 16 16 LYS CD C 13 26.26 0.000 . 1 . . 1 A 16 LYS CD . 30029 1 169 . 1 1 16 16 LYS H H 1 8.464 0.002 . 1 . . 1 A 16 LYS H . 30029 1 170 . 1 1 16 16 LYS HA H 1 4.192 0.014 . 1 . . 1 A 16 LYS HA . 30029 1 171 . 1 1 16 16 LYS HB3 H 1 1.870 0.019 . 2 . . 1 A 16 LYS HB3 . 30029 1 172 . 1 1 16 16 LYS HB2 H 1 2.087 0.005 . 2 . . 1 A 16 LYS HB2 . 30029 1 173 . 1 1 16 16 LYS HD3 H 1 1.08 0.004 . 1 . . 1 A 16 LYS HD3 . 30029 1 174 . 1 1 16 16 LYS HD2 H 1 0.623 0.004 . 1 . . 1 A 16 LYS HD2 . 30029 1 175 . 1 1 16 16 LYS HG3 H 1 1.630 0.002 . 1 . . 1 A 16 LYS HG3 . 30029 1 176 . 1 1 16 16 LYS N N 15 122.118 0.000 . 1 . . 1 A 16 LYS N . 30029 1 177 . 1 1 17 17 ASN C C 13 176.773 0.000 . 1 . . 1 A 17 ASN C . 30029 1 178 . 1 1 17 17 ASN CA C 13 57.177 0.000 . 1 . . 1 A 17 ASN CA . 30029 1 179 . 1 1 17 17 ASN CB C 13 38.641 0.000 . 1 . . 1 A 17 ASN CB . 30029 1 180 . 1 1 17 17 ASN H H 1 8.966 0.005 . 1 . . 1 A 17 ASN H . 30029 1 181 . 1 1 17 17 ASN HA H 1 4.186 0.001 . 1 . . 1 A 17 ASN HA . 30029 1 182 . 1 1 17 17 ASN HB3 H 1 2.908 0.027 . 2 . . 1 A 17 ASN HB3 . 30029 1 183 . 1 1 17 17 ASN HB2 H 1 3.453 0.008 . 2 . . 1 A 17 ASN HB2 . 30029 1 184 . 1 1 17 17 ASN HD21 H 1 7.809 0.007 . 1 . . 1 A 17 ASN HD21 . 30029 1 185 . 1 1 17 17 ASN HD22 H 1 6.527 0.011 . 1 . . 1 A 17 ASN HD22 . 30029 1 186 . 1 1 17 17 ASN N N 15 119.229 0.000 . 1 . . 1 A 17 ASN N . 30029 1 187 . 1 1 17 17 ASN ND2 N 15 122.423 0.057 . 1 . . 1 A 17 ASN ND2 . 30029 1 188 . 1 1 18 18 TYR C C 13 177.943 0.000 . 1 . . 1 A 18 TYR C . 30029 1 189 . 1 1 18 18 TYR CA C 13 60.562 0.000 . 1 . . 1 A 18 TYR CA . 30029 1 190 . 1 1 18 18 TYR CB C 13 37.456 0.000 . 1 . . 1 A 18 TYR CB . 30029 1 191 . 1 1 18 18 TYR H H 1 8.468 0.014 . 1 . . 1 A 18 TYR H . 30029 1 192 . 1 1 18 18 TYR HA H 1 4.519 0.016 . 1 . . 1 A 18 TYR HA . 30029 1 193 . 1 1 18 18 TYR HB2 H 1 2.73 0.015 . 1 . . 1 A 18 TYR HB2 . 30029 1 194 . 1 1 18 18 TYR HB3 H 1 3.377 0.015 . 1 . . 1 A 18 TYR HB3 . 30029 1 195 . 1 1 18 18 TYR N N 15 120.031 0.000 . 1 . . 1 A 18 TYR N . 30029 1 196 . 1 1 19 19 HIS C C 13 177.916 0.000 . 1 . . 1 A 19 HIS C . 30029 1 197 . 1 1 19 19 HIS CA C 13 58.946 0.000 . 1 . . 1 A 19 HIS CA . 30029 1 198 . 1 1 19 19 HIS CB C 13 27.847 0.000 . 1 . . 1 A 19 HIS CB . 30029 1 199 . 1 1 19 19 HIS H H 1 8.194 0.009 . 1 . . 1 A 19 HIS H . 30029 1 200 . 1 1 19 19 HIS HA H 1 4.533 0.005 . 1 . . 1 A 19 HIS HA . 30029 1 201 . 1 1 19 19 HIS HB2 H 1 3.33 0.020 . 1 . . 1 A 19 HIS HB2 . 30029 1 202 . 1 1 19 19 HIS HB3 H 1 3.649 0.020 . 1 . . 1 A 19 HIS HB3 . 30029 1 203 . 1 1 19 19 HIS N N 15 116.875 0.000 . 1 . . 1 A 19 HIS N . 30029 1 204 . 1 1 20 20 LEU C C 13 178.353 0.000 . 1 . . 1 A 20 LEU C . 30029 1 205 . 1 1 20 20 LEU CA C 13 57.999 0.000 . 1 . . 1 A 20 LEU CA . 30029 1 206 . 1 1 20 20 LEU CB C 13 43.473 0.000 . 1 . . 1 A 20 LEU CB . 30029 1 207 . 1 1 20 20 LEU CG C 13 27.394 0.000 . 1 . . 1 A 20 LEU CG . 30029 1 208 . 1 1 20 20 LEU H H 1 8.908 0.010 . 1 . . 1 A 20 LEU H . 30029 1 209 . 1 1 20 20 LEU HA H 1 4.260 0.006 . 1 . . 1 A 20 LEU HA . 30029 1 210 . 1 1 20 20 LEU HB3 H 1 1.458 0.019 . 1 . . 1 A 20 LEU HB3 . 30029 1 211 . 1 1 20 20 LEU HD11 H 1 0.992 0.009 . 1 . . 1 A 20 LEU HD11 . 30029 1 212 . 1 1 20 20 LEU HD12 H 1 0.992 0.009 . 1 . . 1 A 20 LEU HD12 . 30029 1 213 . 1 1 20 20 LEU HD13 H 1 0.992 0.009 . 1 . . 1 A 20 LEU HD13 . 30029 1 214 . 1 1 20 20 LEU HD21 H 1 0.992 0.009 . 1 . . 1 A 20 LEU HD21 . 30029 1 215 . 1 1 20 20 LEU HD22 H 1 0.992 0.009 . 1 . . 1 A 20 LEU HD22 . 30029 1 216 . 1 1 20 20 LEU HD23 H 1 0.992 0.009 . 1 . . 1 A 20 LEU HD23 . 30029 1 217 . 1 1 20 20 LEU HG H 1 2.084 0.000 . 1 . . 1 A 20 LEU HG . 30029 1 218 . 1 1 20 20 LEU N N 15 120.909 0.000 . 1 . . 1 A 20 LEU N . 30029 1 219 . 1 1 21 21 GLU C C 13 179.168 0.000 . 1 . . 1 A 21 GLU C . 30029 1 220 . 1 1 21 21 GLU CA C 13 59.044 0.000 . 1 . . 1 A 21 GLU CA . 30029 1 221 . 1 1 21 21 GLU CB C 13 27.359 0.000 . 1 . . 1 A 21 GLU CB . 30029 1 222 . 1 1 21 21 GLU CG C 13 36.95 0.000 . 1 . . 1 A 21 GLU CG . 30029 1 223 . 1 1 21 21 GLU H H 1 8.972 0.001 . 1 . . 1 A 21 GLU H . 30029 1 224 . 1 1 21 21 GLU HA H 1 4.158 0.004 . 1 . . 1 A 21 GLU HA . 30029 1 225 . 1 1 21 21 GLU HB3 H 1 2.348 0.000 . 1 . . 1 A 21 GLU HB3 . 30029 1 226 . 1 1 21 21 GLU HG3 H 1 2.718 0.000 . 1 . . 1 A 21 GLU HG3 . 30029 1 227 . 1 1 21 21 GLU N N 15 118.534 0.000 . 1 . . 1 A 21 GLU N . 30029 1 228 . 1 1 22 22 ASN C C 13 176.913 0.000 . 1 . . 1 A 22 ASN C . 30029 1 229 . 1 1 22 22 ASN CA C 13 55.855 0.000 . 1 . . 1 A 22 ASN CA . 30029 1 230 . 1 1 22 22 ASN CB C 13 38.028 0.000 . 1 . . 1 A 22 ASN CB . 30029 1 231 . 1 1 22 22 ASN H H 1 7.990 0.014 . 1 . . 1 A 22 ASN H . 30029 1 232 . 1 1 22 22 ASN HA H 1 4.601 0.021 . 1 . . 1 A 22 ASN HA . 30029 1 233 . 1 1 22 22 ASN HB3 H 1 2.980 0.014 . 2 . . 1 A 22 ASN HB3 . 30029 1 234 . 1 1 22 22 ASN HB2 H 1 2.526 0.000 . 2 . . 1 A 22 ASN HB2 . 30029 1 235 . 1 1 22 22 ASN HD21 H 1 6.275 0.002 . 1 . . 1 A 22 ASN HD21 . 30029 1 236 . 1 1 22 22 ASN HD22 H 1 7.527 0.010 . 1 . . 1 A 22 ASN HD22 . 30029 1 237 . 1 1 22 22 ASN N N 15 118.560 0.000 . 1 . . 1 A 22 ASN N . 30029 1 238 . 1 1 22 22 ASN ND2 N 15 111.189 0.014 . 1 . . 1 A 22 ASN ND2 . 30029 1 239 . 1 1 23 23 GLU C C 13 177.727 0.000 . 1 . . 1 A 23 GLU C . 30029 1 240 . 1 1 23 23 GLU CA C 13 59.072 0.000 . 1 . . 1 A 23 GLU CA . 30029 1 241 . 1 1 23 23 GLU CB C 13 28.098 0.000 . 1 . . 1 A 23 GLU CB . 30029 1 242 . 1 1 23 23 GLU CG C 13 36.847 0.000 . 1 . . 1 A 23 GLU CG . 30029 1 243 . 1 1 23 23 GLU H H 1 8.201 0.009 . 1 . . 1 A 23 GLU H . 30029 1 244 . 1 1 23 23 GLU HA H 1 4.236 0.000 . 1 . . 1 A 23 GLU HA . 30029 1 245 . 1 1 23 23 GLU HB3 H 1 2.098 0.000 . 2 . . 1 A 23 GLU HB3 . 30029 1 246 . 1 1 23 23 GLU HB2 H 1 2.366 0.019 . 2 . . 1 A 23 GLU HB2 . 30029 1 247 . 1 1 23 23 GLU HG3 H 1 2.927 0.000 . 1 . . 1 A 23 GLU HG3 . 30029 1 248 . 1 1 23 23 GLU N N 15 121.824 0.000 . 1 . . 1 A 23 GLU N . 30029 1 249 . 1 1 24 24 VAL C C 13 176.627 0.000 . 1 . . 1 A 24 VAL C . 30029 1 250 . 1 1 24 24 VAL CA C 13 67.267 0.000 . 1 . . 1 A 24 VAL CA . 30029 1 251 . 1 1 24 24 VAL CB C 13 31.566 0.000 . 1 . . 1 A 24 VAL CB . 30029 1 252 . 1 1 24 24 VAL CG1 C 13 21.71 0.000 . 1 . . 1 A 24 VAL CG1 . 30029 1 253 . 1 1 24 24 VAL H H 1 8.809 0.019 . 1 . . 1 A 24 VAL H . 30029 1 254 . 1 1 24 24 VAL HA H 1 3.271 0.000 . 1 . . 1 A 24 VAL HA . 30029 1 255 . 1 1 24 24 VAL HB H 1 2.350 0.003 . 1 . . 1 A 24 VAL HB . 30029 1 256 . 1 1 24 24 VAL HG11 H 1 1.174 0.003 . 1 . . 1 A 24 VAL HG11 . 30029 1 257 . 1 1 24 24 VAL HG12 H 1 1.174 0.003 . 1 . . 1 A 24 VAL HG12 . 30029 1 258 . 1 1 24 24 VAL HG13 H 1 1.174 0.003 . 1 . . 1 A 24 VAL HG13 . 30029 1 259 . 1 1 24 24 VAL HG21 H 1 1.174 0.003 . 1 . . 1 A 24 VAL HG21 . 30029 1 260 . 1 1 24 24 VAL HG22 H 1 1.174 0.003 . 1 . . 1 A 24 VAL HG22 . 30029 1 261 . 1 1 24 24 VAL HG23 H 1 1.174 0.003 . 1 . . 1 A 24 VAL HG23 . 30029 1 262 . 1 1 24 24 VAL N N 15 119.203 0.000 . 1 . . 1 A 24 VAL N . 30029 1 263 . 1 1 25 25 ALA C C 13 180.276 0.000 . 1 . . 1 A 25 ALA C . 30029 1 264 . 1 1 25 25 ALA CA C 13 55.290 0.000 . 1 . . 1 A 25 ALA CA . 30029 1 265 . 1 1 25 25 ALA CB C 13 17.937 0.000 . 1 . . 1 A 25 ALA CB . 30029 1 266 . 1 1 25 25 ALA H H 1 7.900 0.012 . 1 . . 1 A 25 ALA H . 30029 1 267 . 1 1 25 25 ALA HA H 1 4.182 0.005 . 1 . . 1 A 25 ALA HA . 30029 1 268 . 1 1 25 25 ALA HB1 H 1 1.645 0.019 . 1 . . 1 A 25 ALA HB1 . 30029 1 269 . 1 1 25 25 ALA HB2 H 1 1.645 0.019 . 1 . . 1 A 25 ALA HB2 . 30029 1 270 . 1 1 25 25 ALA HB3 H 1 1.645 0.019 . 1 . . 1 A 25 ALA HB3 . 30029 1 271 . 1 1 25 25 ALA N N 15 119.711 0.000 . 1 . . 1 A 25 ALA N . 30029 1 272 . 1 1 26 26 ARG C C 13 179.036 0.000 . 1 . . 1 A 26 ARG C . 30029 1 273 . 1 1 26 26 ARG CA C 13 59.189 0.000 . 1 . . 1 A 26 ARG CA . 30029 1 274 . 1 1 26 26 ARG CB C 13 30.290 0.000 . 1 . . 1 A 26 ARG CB . 30029 1 275 . 1 1 26 26 ARG CG C 13 27.64 0.000 . 1 . . 1 A 26 ARG CG . 30029 1 276 . 1 1 26 26 ARG H H 1 7.931 0.017 . 1 . . 1 A 26 ARG H . 30029 1 277 . 1 1 26 26 ARG HA H 1 4.217 0.000 . 1 . . 1 A 26 ARG HA . 30029 1 278 . 1 1 26 26 ARG HB3 H 1 1.895 0.016 . 2 . . 1 A 26 ARG HB3 . 30029 1 279 . 1 1 26 26 ARG HB2 H 1 1.533 0.003 . 2 . . 1 A 26 ARG HB2 . 30029 1 280 . 1 1 26 26 ARG HG3 H 1 2.075 0.009 . 1 . . 1 A 26 ARG HG3 . 30029 1 281 . 1 1 26 26 ARG HG2 H 1 2.075 0.009 . 1 . . 1 A 26 ARG HG2 . 30029 1 282 . 1 1 26 26 ARG N N 15 117.635 0.000 . 1 . . 1 A 26 ARG N . 30029 1 283 . 1 1 27 27 LEU C C 13 178.758 0.000 . 1 . . 1 A 27 LEU C . 30029 1 284 . 1 1 27 27 LEU CA C 13 57.922 0.000 . 1 . . 1 A 27 LEU CA . 30029 1 285 . 1 1 27 27 LEU CB C 13 43.242 0.000 . 1 . . 1 A 27 LEU CB . 30029 1 286 . 1 1 27 27 LEU CG C 13 25.80 0.000 . 1 . . 1 A 27 LEU CG . 30029 1 287 . 1 1 27 27 LEU CD1 C 13 23.100 0.000 . 1 . . 1 A 27 LEU CD1 . 30029 1 288 . 1 1 27 27 LEU H H 1 8.568 0.014 . 1 . . 1 A 27 LEU H . 30029 1 289 . 1 1 27 27 LEU HA H 1 4.196 0.012 . 1 . . 1 A 27 LEU HA . 30029 1 290 . 1 1 27 27 LEU HB3 H 1 1.724 0.015 . 2 . . 1 A 27 LEU HB3 . 30029 1 291 . 1 1 27 27 LEU HB2 H 1 1.719 0.016 . 2 . . 1 A 27 LEU HB2 . 30029 1 292 . 1 1 27 27 LEU HD11 H 1 0.653 0.020 . 2 . . 1 A 27 LEU HD11 . 30029 1 293 . 1 1 27 27 LEU HD12 H 1 0.653 0.020 . 2 . . 1 A 27 LEU HD12 . 30029 1 294 . 1 1 27 27 LEU HD13 H 1 0.653 0.020 . 2 . . 1 A 27 LEU HD13 . 30029 1 295 . 1 1 27 27 LEU HD21 H 1 0.982 0.001 . 2 . . 1 A 27 LEU HD21 . 30029 1 296 . 1 1 27 27 LEU HD22 H 1 0.982 0.001 . 2 . . 1 A 27 LEU HD22 . 30029 1 297 . 1 1 27 27 LEU HD23 H 1 0.982 0.001 . 2 . . 1 A 27 LEU HD23 . 30029 1 298 . 1 1 27 27 LEU HG H 1 1.442 0.010 . 1 . . 1 A 27 LEU HG . 30029 1 299 . 1 1 27 27 LEU N N 15 119.908 0.000 . 1 . . 1 A 27 LEU N . 30029 1 300 . 1 1 28 28 LYS C C 13 178.925 0.000 . 1 . . 1 A 28 LYS C . 30029 1 301 . 1 1 28 28 LYS CA C 13 60.109 0.000 . 1 . . 1 A 28 LYS CA . 30029 1 302 . 1 1 28 28 LYS CB C 13 32.478 0.000 . 1 . . 1 A 28 LYS CB . 30029 1 303 . 1 1 28 28 LYS CD C 13 26.815 0.000 . 1 . . 1 A 28 LYS CD . 30029 1 304 . 1 1 28 28 LYS CG C 13 27.100 0.000 . 1 . . 1 A 28 LYS CG . 30029 1 305 . 1 1 28 28 LYS H H 1 8.920 0.006 . 1 . . 1 A 28 LYS H . 30029 1 306 . 1 1 28 28 LYS HA H 1 3.993 0.011 . 1 . . 1 A 28 LYS HA . 30029 1 307 . 1 1 28 28 LYS HB3 H 1 1.447 0.010 . 2 . . 1 A 28 LYS HB3 . 30029 1 308 . 1 1 28 28 LYS HB2 H 1 1.967 0.000 . 2 . . 1 A 28 LYS HB2 . 30029 1 309 . 1 1 28 28 LYS HD3 H 1 1.073 0.005 . 1 . . 1 A 28 LYS HD3 . 30029 1 310 . 1 1 28 28 LYS HG3 H 1 1.642 0.007 . 1 . . 1 A 28 LYS HG3 . 30029 1 311 . 1 1 28 28 LYS N N 15 117.314 0.000 . 1 . . 1 A 28 LYS N . 30029 1 312 . 1 1 29 29 LYS C C 13 178.325 0.000 . 1 . . 1 A 29 LYS C . 30029 1 313 . 1 1 29 29 LYS CA C 13 58.367 0.000 . 1 . . 1 A 29 LYS CA . 30029 1 314 . 1 1 29 29 LYS CB C 13 32.212 0.000 . 1 . . 1 A 29 LYS CB . 30029 1 315 . 1 1 29 29 LYS CG C 13 26.34 0.000 . 1 . . 1 A 29 LYS CG . 30029 1 316 . 1 1 29 29 LYS H H 1 7.443 0.019 . 1 . . 1 A 29 LYS H . 30029 1 317 . 1 1 29 29 LYS HA H 1 4.243 0.000 . 1 . . 1 A 29 LYS HA . 30029 1 318 . 1 1 29 29 LYS HB3 H 1 2.086 0.010 . 2 . . 1 A 29 LYS HB3 . 30029 1 319 . 1 1 29 29 LYS HB2 H 1 1.945 0.000 . 2 . . 1 A 29 LYS HB2 . 30029 1 320 . 1 1 29 29 LYS HG2 H 1 1.66 0.000 . 1 . . 1 A 29 LYS HG2 . 30029 1 321 . 1 1 29 29 LYS HD3 H 1 1.094 0.000 . 1 . . 1 A 29 LYS HD3 . 30029 1 322 . 1 1 29 29 LYS N N 15 117.073 0.000 . 1 . . 1 A 29 LYS N . 30029 1 323 . 1 1 30 30 LEU C C 13 178.590 0.000 . 1 . . 1 A 30 LEU C . 30029 1 324 . 1 1 30 30 LEU CA C 13 56.807 0.000 . 1 . . 1 A 30 LEU CA . 30029 1 325 . 1 1 30 30 LEU CB C 13 42.352 0.000 . 1 . . 1 A 30 LEU CB . 30029 1 326 . 1 1 30 30 LEU H H 1 7.737 0.020 . 1 . . 1 A 30 LEU H . 30029 1 327 . 1 1 30 30 LEU HA H 1 4.380 0.018 . 1 . . 1 A 30 LEU HA . 30029 1 328 . 1 1 30 30 LEU HB3 H 1 1.796 0.013 . 1 . . 1 A 30 LEU HB3 . 30029 1 329 . 1 1 30 30 LEU HD11 H 1 0.989 0.000 . 1 . . 1 A 30 LEU HD11 . 30029 1 330 . 1 1 30 30 LEU HD12 H 1 0.989 0.000 . 1 . . 1 A 30 LEU HD12 . 30029 1 331 . 1 1 30 30 LEU HD13 H 1 0.989 0.000 . 1 . . 1 A 30 LEU HD13 . 30029 1 332 . 1 1 30 30 LEU HG H 1 2.135 0.000 . 1 . . 1 A 30 LEU HG . 30029 1 333 . 1 1 30 30 LEU N N 15 118.731 0.000 . 1 . . 1 A 30 LEU N . 30029 1 334 . 1 1 31 31 VAL C C 13 176.264 0.000 . 1 . . 1 A 31 VAL C . 30029 1 335 . 1 1 31 31 VAL CA C 13 62.908 0.000 . 1 . . 1 A 31 VAL CA . 30029 1 336 . 1 1 31 31 VAL CB C 13 32.004 0.000 . 1 . . 1 A 31 VAL CB . 30029 1 337 . 1 1 31 31 VAL CG1 C 13 20.653 0.000 . 1 . . 1 A 31 VAL CG1 . 30029 1 338 . 1 1 31 31 VAL H H 1 7.835 0.015 . 1 . . 1 A 31 VAL H . 30029 1 339 . 1 1 31 31 VAL HA H 1 4.258 0.011 . 1 . . 1 A 31 VAL HA . 30029 1 340 . 1 1 31 31 VAL HB H 1 2.169 0.001 . 1 . . 1 A 31 VAL HB . 30029 1 341 . 1 1 31 31 VAL HG11 H 1 0.986 0.000 . 2 . . 1 A 31 VAL HG11 . 30029 1 342 . 1 1 31 31 VAL HG12 H 1 0.986 0.000 . 2 . . 1 A 31 VAL HG12 . 30029 1 343 . 1 1 31 31 VAL HG13 H 1 0.986 0.000 . 2 . . 1 A 31 VAL HG13 . 30029 1 344 . 1 1 31 31 VAL HG21 H 1 1.148 0.021 . 2 . . 1 A 31 VAL HG21 . 30029 1 345 . 1 1 31 31 VAL HG22 H 1 1.148 0.021 . 2 . . 1 A 31 VAL HG22 . 30029 1 346 . 1 1 31 31 VAL HG23 H 1 1.148 0.021 . 2 . . 1 A 31 VAL HG23 . 30029 1 347 . 1 1 31 31 VAL N N 15 115.040 0.000 . 1 . . 1 A 31 VAL N . 30029 1 348 . 1 1 32 32 GLY CA C 13 45.513 0.000 . 1 . . 1 A 32 GLY CA . 30029 1 349 . 1 1 32 32 GLY H H 1 8.017 0.012 . 1 . . 1 A 32 GLY H . 30029 1 350 . 1 1 32 32 GLY HA3 H 1 4.170 0.005 . 1 . . 1 A 32 GLY HA3 . 30029 1 351 . 1 1 32 32 GLY N N 15 108.567 0.000 . 1 . . 1 A 32 GLY N . 30029 1 352 . 1 1 33 33 GLU CA C 13 54.380 0.000 . 1 . . 1 A 33 GLU CA . 30029 1 353 . 1 1 33 33 GLU CB C 13 28.763 0.000 . 1 . . 1 A 33 GLU CB . 30029 1 354 . 1 1 33 33 GLU HA H 1 4.176 0.000 . 1 . . 1 A 33 GLU HA . 30029 1 stop_ save_