data_7391 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7391 _Entry.Title ; Electrostatic contributions to the stability of the GCN4 leucine zipper structure. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-19 _Entry.Accession_date 2007-06-19 _Entry.Last_release_date 2009-04-15 _Entry.Original_release_date 2009-04-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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.Entry_ID 1 William Matousek . M. . 7391 2 Andrei Alexandrescu . T. . 7391 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Connecticut' . 7391 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7391 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 94 7391 '15N chemical shifts' 32 7391 '1H chemical shifts' 62 7391 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 . . 2009-04-15 2007-06-19 original author . 7391 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15316 'native protein' 7391 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7391 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17920624 _Citation.Full_citation . _Citation.Title 'Electrostatic contributions to the stability of the GCN4 leucine zipper structure.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 374 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 206 _Citation.Page_last 219 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 William Matousek . M. . 7391 1 2 Barbara Ciani . . . 7391 1 3 Carolyn Fitch . A. . 7391 1 4 Bertrand Garcia-Moreno . E. . 7391 1 5 Richard Kammerer . A. . 7391 1 6 Andrei Alexandrescu . T. . 7391 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7391 _Assembly.ID 1 _Assembly.Name 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 GCN4 1 $GCN4p-wt A . yes native no no . . . 7391 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GCN4p-wt _Entity.Sf_category entity _Entity.Sf_framecode GCN4p-wt _Entity.Entry_ID 7391 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GCN4p-wt _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 ; GSMKQLEDKVEELLSKNYHL ENEVARLKKLVGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Leucine zipper region of GCN4 yeast transcription activator Met250 Glu280' _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 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment GCN4p-wt _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1396 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 1.90e-11 . . . . 7391 1 2 no BMRB 1397 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 1.90e-11 . . . . 7391 1 3 no BMRB 1398 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 1.90e-11 . . . . 7391 1 4 no BMRB 1399 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 1.90e-11 . . . . 7391 1 5 no BMRB 1451 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 1.90e-11 . . . . 7391 1 6 no BMRB 1452 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 1.90e-11 . . . . 7391 1 7 no BMRB 1453 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 1.90e-11 . . . . 7391 1 8 no BMRB 1454 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 1.90e-11 . . . . 7391 1 9 no BMRB 15316 . GCN4p-wt . . . . . 100.00 33 100.00 100.00 1.97e-12 . . . . 7391 1 10 no BMRB 17511 . LZ-GCN4 . . . . . 93.94 36 100.00 100.00 9.07e-11 . . . . 7391 1 11 no BMRB 2062 . transcriptional_regulator_GCN4-p2N . . . . . 100.00 35 96.97 96.97 1.13e-11 . . . . 7391 1 12 no BMRB 371 . "transcriptional regulator GCN4" . . . . . 93.94 33 100.00 100.00 8.77e-11 . . . . 7391 1 13 no PDB 1DGC . "The X-Ray Structure Of The Gcn4-Bzip Bound To AtfCREB SITE Dna Shows The Complex Depends On Dna Flexibility" . . . . . 93.94 62 100.00 100.00 1.98e-11 . . . . 7391 1 14 no PDB 1LD4 . "Placement Of The Structural Proteins In Sindbis Virus" . . . . . 93.94 57 100.00 100.00 1.94e-11 . . . . 7391 1 15 no PDB 1LLM . "Crystal Structure Of A Zif23-Gcn4 Chimera Bound To Dna" . . . . . 84.85 88 100.00 100.00 8.26e-09 . . . . 7391 1 16 no PDB 1NKN . "Visualizing An Unstable Coiled Coil: The Crystal Structure Of An N-Terminal Segment Of The Scallop Myosin Rod" . . . . . 100.00 89 100.00 100.00 2.41e-12 . . . . 7391 1 17 no PDB 1YSA . "The Gcn4 Basic Region Leucine Zipper Binds Dna As A Dimer Of Uninterrupted Alpha Helices: Crystal Structure Of The Protein-Dna " . . . . . 93.94 58 100.00 100.00 2.37e-11 . . . . 7391 1 18 no PDB 1ZTA . "The Solution Structure Of A Leucine-Zipper Motif Peptide" . . . . . 93.94 35 100.00 100.00 7.80e-11 . . . . 7391 1 19 no PDB 2DGC . "Gcn4 Basic Domain, Leucine Zipper Complexed With AtfCREB Site Dna" . . . . . 93.94 63 100.00 100.00 1.96e-11 . . . . 7391 1 20 no PDB 2EFR . "Crystal Structure Of The C-Terminal Tropomyosin Fragment With N- And C-Terminal Extensions Of The Leucine Zipper At 1.8 Angstro" . . . . . 84.85 155 100.00 100.00 2.03e-08 . . . . 7391 1 21 no PDB 2EFS . "Crystal Structure Of The C-Terminal Tropomyosin Fragment With N- And C-Terminal Extensions Of The Leucine Zipper At 2.0 Angstro" . . . . . 84.85 155 100.00 100.00 2.03e-08 . . . . 7391 1 22 no PDB 2OVN . "Nmr Structure Of The Gcn4 Trigger Peptide" . . . . . 51.52 17 100.00 100.00 1.30e-01 . . . . 7391 1 23 no PDB 2ZTA . "X-Ray Structure Of The Gcn4 Leucine Zipper, A Two-Stranded, Parallel Coiled Coil" . . . . . 93.94 34 100.00 100.00 8.49e-11 . . . . 7391 1 24 no PDB 3BAS . "Crystal Structure Of The N-Terminal Region Of The Scallop Myosin Rod, Monoclinic (C2) Form" . . . . . 100.00 89 100.00 100.00 2.41e-12 . . . . 7391 1 25 no PDB 3BAT . "Crystal Structure Of The N-Terminal Region Of The Scallop Myosin Rod, Monoclinic (P21) Form" . . . . . 100.00 89 100.00 100.00 2.41e-12 . . . . 7391 1 26 no PDB 3I5C . "Crystal Structure Of A Fusion Protein Containing The Leucine Zipper Of Gcn4 And The Ggdef Domain Of Wspr From Pseudomonas Aerug" . . . . . 87.88 206 100.00 100.00 3.32e-09 . . . . 7391 1 27 no PDB 4DMD . "Gcn4 Leucine Zipper Domain In A Dimeric Oligomerization State" . . . . . 93.94 34 100.00 100.00 8.49e-11 . . . . 7391 1 28 no PDB 4DME . "Gcn4 Leucine Zipper Domain In A Trimeric Oligomerization State" . . . . . 93.94 35 100.00 100.00 8.59e-11 . . . . 7391 1 29 no PDB 4LPZ . "Arnt Transcription Factor/coactivator Complex" . . . . . 51.52 44 100.00 100.00 5.68e-02 . . . . 7391 1 30 no DBJ GAA22815 . "K7_Gcn4p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 93.94 281 100.00 100.00 5.86e-11 . . . . 7391 1 31 no EMBL CAE52206 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 5.92e-11 . . . . 7391 1 32 no EMBL CAE52207 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 5.92e-11 . . . . 7391 1 33 no EMBL CAE52208 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 5.92e-11 . . . . 7391 1 34 no EMBL CAE52209 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 5.92e-11 . . . . 7391 1 35 no EMBL CAE52210 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 5.86e-11 . . . . 7391 1 36 no GB AAA34640 . "GCN4 protein [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 5.98e-11 . . . . 7391 1 37 no GB AAB64486 . "Transcriptional activator of amino acid biosynthetic genes [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 5.98e-11 . . . . 7391 1 38 no GB AAC33186 . "hinge-region and leucine-zipper with N-terminal PelB-leader and C-terminal hexahistidine tag [synthetic construct]" . . . . . 93.94 84 100.00 100.00 3.86e-11 . . . . 7391 1 39 no GB AAD37724 . "PelB-IgG kappa light chain fusion protein [Cloning vector pCLZip]" . . . . . 93.94 192 100.00 100.00 7.61e-11 . . . . 7391 1 40 no GB AAK07887 . "cI-GCN4 repressor fusion protein [Cloning vector pJH370]" . . . . . 93.94 166 100.00 100.00 1.31e-10 . . . . 7391 1 41 no REF NP_010907 . "Gcn4p [Saccharomyces cerevisiae S288c]" . . . . . 93.94 281 100.00 100.00 5.98e-11 . . . . 7391 1 42 no SP P03069 . "RecName: Full=General control protein GCN4; AltName: Full=Amino acid biosynthesis regulatory protein [Saccharomyces cerevisiae " . . . . . 93.94 281 100.00 100.00 5.98e-11 . . . . 7391 1 43 no TPG DAA07643 . "TPA: amino acid starvation-responsive transcription factor GCN4 [Saccharomyces cerevisiae S288c]" . . . . . 93.94 281 100.00 100.00 5.98e-11 . . . . 7391 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 . GLY . 7391 1 2 . SER . 7391 1 3 . MET . 7391 1 4 . LYS . 7391 1 5 . GLN . 7391 1 6 . LEU . 7391 1 7 . GLU . 7391 1 8 . ASP . 7391 1 9 . LYS . 7391 1 10 . VAL . 7391 1 11 . GLU . 7391 1 12 . GLU . 7391 1 13 . LEU . 7391 1 14 . LEU . 7391 1 15 . SER . 7391 1 16 . LYS . 7391 1 17 . ASN . 7391 1 18 . TYR . 7391 1 19 . HIS . 7391 1 20 . LEU . 7391 1 21 . GLU . 7391 1 22 . ASN . 7391 1 23 . GLU . 7391 1 24 . VAL . 7391 1 25 . ALA . 7391 1 26 . ARG . 7391 1 27 . LEU . 7391 1 28 . LYS . 7391 1 29 . LYS . 7391 1 30 . LEU . 7391 1 31 . VAL . 7391 1 32 . GLY . 7391 1 33 . GLU . 7391 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 7391 1 . SER 2 2 7391 1 . MET 3 3 7391 1 . LYS 4 4 7391 1 . GLN 5 5 7391 1 . LEU 6 6 7391 1 . GLU 7 7 7391 1 . ASP 8 8 7391 1 . LYS 9 9 7391 1 . VAL 10 10 7391 1 . GLU 11 11 7391 1 . GLU 12 12 7391 1 . LEU 13 13 7391 1 . LEU 14 14 7391 1 . SER 15 15 7391 1 . LYS 16 16 7391 1 . ASN 17 17 7391 1 . TYR 18 18 7391 1 . HIS 19 19 7391 1 . LEU 20 20 7391 1 . GLU 21 21 7391 1 . ASN 22 22 7391 1 . GLU 23 23 7391 1 . VAL 24 24 7391 1 . ALA 25 25 7391 1 . ARG 26 26 7391 1 . LEU 27 27 7391 1 . LYS 28 28 7391 1 . LYS 29 29 7391 1 . LEU 30 30 7391 1 . VAL 31 31 7391 1 . GLY 32 32 7391 1 . GLU 33 33 7391 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 7391 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GCN4p-wt . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 7391 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 7391 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GCN4p-wt . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . NA . . . . . . 7391 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Denatured_GCN4p-wt_1 _Sample.Sf_category sample _Sample.Sf_framecode Denatured_GCN4p-wt_1 _Sample.Entry_ID 7391 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.8 mM 13C/15N GCN4p-wt, 6 M urea, 150 mM NaCl, 10 mM phosphate buffer, 10% D2O, pH 2.3, 25C' _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-wt '[U-13C; U-15N]' . . 1 $GCN4p-wt . . 1.8 . . mM . . . . 7391 1 2 urea 'natural abundance' . . . . . . 6 . . M . . . . 7391 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 7391 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 7391 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 7391 1 stop_ save_ ####################### # Sample conditions # ####################### save_Denatured_GCN4p-wt_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Denatured_GCN4p-wt_cond _Sample_condition_list.Entry_ID 7391 _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 pH 2.3 . pH 7391 1 temperature 298 . K 7391 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 7391 _Software.ID 1 _Software.Name FELIX _Software.Version 2000.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 7391 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7391 1 'peak picking' 7391 1 processing 7391 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7391 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _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 7391 _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 spectrometer_1 Varian INOVA . 600 Cryoprobe . . 7391 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 7391 _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 $Denatured_GCN4p-wt_1 isotropic . . 1 $Denatured_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7391 1 2 '3D HNCA' no . . . . . . . . . . 1 $Denatured_GCN4p-wt_1 isotropic . . 1 $Denatured_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7391 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $Denatured_GCN4p-wt_1 isotropic . . 1 $Denatured_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7391 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $Denatured_GCN4p-wt_1 isotropic . . 1 $Denatured_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7391 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $Denatured_GCN4p-wt_1 isotropic . . 1 $Denatured_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7391 1 6 '3D HNCO' no . . . . . . . . . . 1 $Denatured_GCN4p-wt_1 isotropic . . 1 $Denatured_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7391 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 7391 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7391 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 7391 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7391 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_denatured_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode denatured_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7391 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Denatured_GCN4p-wt_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 7391 1 2 '3D HNCA' . . . 7391 1 3 '3D HN(CO)CA' . . . 7391 1 4 '3D C(CO)NH' . . . 7391 1 5 '3D H(CCO)NH' . . . 7391 1 6 '3D HNCO' . . . 7391 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 $Felix . . 7391 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 13 170.4 0.20 . 1 . . . . 0 Gly C . 7391 1 2 . 1 1 1 1 GLY CA C 13 43.7 0.20 . 1 . . . . 0 Gly CA . 7391 1 3 . 1 1 2 2 SER H H 1 8.73 0.01 . 1 . . . . 1 Ser HN . 7391 1 4 . 1 1 2 2 SER HA H 1 4.58 0.03 . 1 . . . . 1 Ser HA . 7391 1 5 . 1 1 2 2 SER C C 13 174.7 0.20 . 1 . . . . 1 Ser C . 7391 1 6 . 1 1 2 2 SER CA C 13 58.5 0.20 . 1 . . . . 1 Ser CA . 7391 1 7 . 1 1 2 2 SER CB C 13 64.1 0.20 . 1 . . . . 1 Ser CB . 7391 1 8 . 1 1 2 2 SER N N 15 114.4 0.10 . 1 . . . . 1 Ser N . 7391 1 9 . 1 1 3 3 MET H H 1 8.62 0.01 . 1 . . . . 2 Met HN . 7391 1 10 . 1 1 3 3 MET HA H 1 4.48 0.03 . 1 . . . . 2 Met HA . 7391 1 11 . 1 1 3 3 MET C C 13 176.4 0.20 . 1 . . . . 2 Met C . 7391 1 12 . 1 1 3 3 MET CA C 13 55.9 0.20 . 1 . . . . 2 Met CA . 7391 1 13 . 1 1 3 3 MET CB C 13 33.0 0.20 . 1 . . . . 2 Met CB . 7391 1 14 . 1 1 3 3 MET N N 15 121.2 0.10 . 1 . . . . 2 Met N . 7391 1 15 . 1 1 4 4 LYS H H 1 8.44 0.01 . 1 . . . . 3 Lys HN . 7391 1 16 . 1 1 4 4 LYS HA H 1 4.27 0.03 . 1 . . . . 3 Lys HA . 7391 1 17 . 1 1 4 4 LYS C C 13 176.6 0.20 . 1 . . . . 3 Lys C . 7391 1 18 . 1 1 4 4 LYS CA C 13 56.9 0.20 . 1 . . . . 3 Lys CA . 7391 1 19 . 1 1 4 4 LYS CB C 13 33.1 0.20 . 1 . . . . 3 Lys CB . 7391 1 20 . 1 1 4 4 LYS N N 15 121.8 0.10 . 1 . . . . 3 Lys N . 7391 1 21 . 1 1 5 5 GLN H H 1 8.47 0.01 . 1 . . . . 4 Gln HN . 7391 1 22 . 1 1 5 5 GLN HA H 1 4.27 0.03 . 1 . . . . 4 Gln HA . 7391 1 23 . 1 1 5 5 GLN C C 13 176.1 0.20 . 1 . . . . 4 Gln C . 7391 1 24 . 1 1 5 5 GLN CA C 13 56.1 0.20 . 1 . . . . 4 Gln CA . 7391 1 25 . 1 1 5 5 GLN CB C 13 29.4 0.20 . 1 . . . . 4 Gln CB . 7391 1 26 . 1 1 5 5 GLN N N 15 120.3 0.10 . 1 . . . . 4 Gln N . 7391 1 27 . 1 1 6 6 LEU H H 1 8.40 0.01 . 1 . . . . 5 Leu HN . 7391 1 28 . 1 1 6 6 LEU HA H 1 4.37 0.03 . 1 . . . . 5 Leu HA . 7391 1 29 . 1 1 6 6 LEU C C 13 177.5 0.20 . 1 . . . . 5 Leu C . 7391 1 30 . 1 1 6 6 LEU CA C 13 55.4 0.20 . 1 . . . . 5 Leu CA . 7391 1 31 . 1 1 6 6 LEU CB C 13 42.3 0.20 . 1 . . . . 5 Leu CB . 7391 1 32 . 1 1 6 6 LEU N N 15 122.7 0.10 . 1 . . . . 5 Leu N . 7391 1 33 . 1 1 7 7 GLU H H 1 8.43 0.01 . 1 . . . . 6 Glu HN . 7391 1 34 . 1 1 7 7 GLU HA H 1 4.37 0.03 . 1 . . . . 6 Glu HA . 7391 1 35 . 1 1 7 7 GLU C C 13 176.0 0.20 . 1 . . . . 6 Glu C . 7391 1 36 . 1 1 7 7 GLU CA C 13 55.8 0.20 . 1 . . . . 6 Glu CA . 7391 1 37 . 1 1 7 7 GLU CB C 13 28.7 0.20 . 1 . . . . 6 Glu CB . 7391 1 38 . 1 1 7 7 GLU N N 15 119.3 0.10 . 1 . . . . 6 Glu N . 7391 1 39 . 1 1 8 8 ASP H H 1 8.49 0.01 . 1 . . . . 7 Asp HN . 7391 1 40 . 1 1 8 8 ASP HA H 1 4.69 0.03 . 1 . . . . 7 Asp HA . 7391 1 41 . 1 1 8 8 ASP C C 13 175.2 0.20 . 1 . . . . 7 Asp C . 7391 1 42 . 1 1 8 8 ASP CA C 13 53.2 0.20 . 1 . . . . 7 Asp CA . 7391 1 43 . 1 1 8 8 ASP CB C 13 38.1 0.20 . 1 . . . . 7 Asp CB . 7391 1 44 . 1 1 8 8 ASP N N 15 119.0 0.10 . 1 . . . . 7 Asp N . 7391 1 45 . 1 1 9 9 LYS H H 1 8.34 0.01 . 1 . . . . 8 Lys HN . 7391 1 46 . 1 1 9 9 LYS HA H 1 4.27 0.03 . 1 . . . . 8 Lys HA . 7391 1 47 . 1 1 9 9 LYS C C 13 176.7 0.20 . 1 . . . . 8 Lys C . 7391 1 48 . 1 1 9 9 LYS CA C 13 56.9 0.20 . 1 . . . . 8 Lys CA . 7391 1 49 . 1 1 9 9 LYS CB C 13 33.0 0.20 . 1 . . . . 8 Lys CB . 7391 1 50 . 1 1 9 9 LYS N N 15 120.6 0.10 . 1 . . . . 8 Lys N . 7391 1 51 . 1 1 10 10 VAL H H 1 8.17 0.01 . 1 . . . . 9 Val HN . 7391 1 52 . 1 1 10 10 VAL HA H 1 4.27 0.03 . 1 . . . . 9 Val HA . 7391 1 53 . 1 1 10 10 VAL C C 13 176.4 0.20 . 1 . . . . 9 Val C . 7391 1 54 . 1 1 10 10 VAL CA C 13 62.8 0.20 . 1 . . . . 9 Val CA . 7391 1 55 . 1 1 10 10 VAL CB C 13 32.8 0.20 . 1 . . . . 9 Val CB . 7391 1 56 . 1 1 10 10 VAL N N 15 119.6 0.10 . 1 . . . . 9 Val N . 7391 1 57 . 1 1 11 11 GLU H H 1 8.37 0.01 . 1 . . . . 10 Glu HN . 7391 1 58 . 1 1 11 11 GLU HA H 1 4.27 0.03 . 1 . . . . 10 Glu HA . 7391 1 59 . 1 1 11 11 GLU C C 13 176.1 0.20 . 1 . . . . 10 Glu C . 7391 1 60 . 1 1 11 11 GLU CA C 13 56.2 0.20 . 1 . . . . 10 Glu CA . 7391 1 61 . 1 1 11 11 GLU CB C 13 28.9 0.20 . 1 . . . . 10 Glu CB . 7391 1 62 . 1 1 11 11 GLU N N 15 122.1 0.10 . 1 . . . . 10 Glu N . 7391 1 63 . 1 1 12 12 GLU H H 1 8.39 0.01 . 1 . . . . 11 Glu HN . 7391 1 64 . 1 1 12 12 GLU HA H 1 4.27 0.03 . 1 . . . . 11 Glu HA . 7391 1 65 . 1 1 12 12 GLU C C 13 176.0 0.20 . 1 . . . . 11 Glu C . 7391 1 66 . 1 1 12 12 GLU CA C 13 56.1 0.20 . 1 . . . . 11 Glu CA . 7391 1 67 . 1 1 12 12 GLU CB C 13 28.8 0.20 . 1 . . . . 11 Glu CB . 7391 1 68 . 1 1 12 12 GLU N N 15 120.3 0.10 . 1 . . . . 11 Glu N . 7391 1 69 . 1 1 13 13 LEU H H 1 8.32 0.01 . 1 . . . . 12 Leu HN . 7391 1 70 . 1 1 13 13 LEU HA H 1 4.34 0.03 . 1 . . . . 12 Leu HA . 7391 1 71 . 1 1 13 13 LEU C C 13 177.3 0.20 . 1 . . . . 12 Leu C . 7391 1 72 . 1 1 13 13 LEU CA C 13 55.4 0.20 . 1 . . . . 12 Leu CA . 7391 1 73 . 1 1 13 13 LEU CB C 13 42.3 0.20 . 1 . . . . 12 Leu CB . 7391 1 74 . 1 1 13 13 LEU N N 15 122.1 0.10 . 1 . . . . 12 Leu N . 7391 1 75 . 1 1 14 14 LEU H H 1 8.31 0.01 . 1 . . . . 13 Leu HN . 7391 1 76 . 1 1 14 14 LEU HA H 1 4.38 0.03 . 1 . . . . 13 Leu HA . 7391 1 77 . 1 1 14 14 LEU C C 13 177.6 0.20 . 1 . . . . 13 Leu C . 7391 1 78 . 1 1 14 14 LEU CA C 13 55.3 0.20 . 1 . . . . 13 Leu CA . 7391 1 79 . 1 1 14 14 LEU CB C 13 42.3 0.20 . 1 . . . . 13 Leu CB . 7391 1 80 . 1 1 14 14 LEU N N 15 121.5 0.10 . 1 . . . . 13 Leu N . 7391 1 81 . 1 1 15 15 SER H H 1 8.29 0.01 . 1 . . . . 14 Ser HN . 7391 1 82 . 1 1 15 15 SER HA H 1 4.38 0.03 . 1 . . . . 14 Ser HA . 7391 1 83 . 1 1 15 15 SER C C 13 174.9 0.20 . 1 . . . . 14 Ser C . 7391 1 84 . 1 1 15 15 SER CA C 13 58.6 0.20 . 1 . . . . 14 Ser CA . 7391 1 85 . 1 1 15 15 SER CB C 13 63.9 0.20 . 1 . . . . 14 Ser CB . 7391 1 86 . 1 1 15 15 SER N N 15 115.0 0.10 . 1 . . . . 14 Ser N . 7391 1 87 . 1 1 16 16 LYS H H 1 8.38 0.01 . 1 . . . . 15 Lys HN . 7391 1 88 . 1 1 16 16 LYS HA H 1 4.27 0.03 . 1 . . . . 15 Lys HA . 7391 1 89 . 1 1 16 16 LYS C C 13 176.2 0.20 . 1 . . . . 15 Lys C . 7391 1 90 . 1 1 16 16 LYS CA C 13 56.8 0.20 . 1 . . . . 15 Lys CA . 7391 1 91 . 1 1 16 16 LYS CB C 13 33.0 0.20 . 1 . . . . 15 Lys CB . 7391 1 92 . 1 1 16 16 LYS N N 15 121.5 0.10 . 1 . . . . 15 Lys N . 7391 1 93 . 1 1 17 17 ASN H H 1 8.36 0.01 . 1 . . . . 16 Asn HN . 7391 1 94 . 1 1 17 17 ASN HA H 1 4.69 0.03 . 1 . . . . 16 Asn HA . 7391 1 95 . 1 1 17 17 ASN C C 13 175.1 0.20 . 1 . . . . 16 Asn C . 7391 1 96 . 1 1 17 17 ASN CA C 13 53.2 0.20 . 1 . . . . 16 Asn CA . 7391 1 97 . 1 1 17 17 ASN CB C 13 38.8 0.20 . 1 . . . . 16 Asn CB . 7391 1 98 . 1 1 17 17 ASN N N 15 117.5 0.10 . 1 . . . . 16 Asn N . 7391 1 99 . 1 1 18 18 TYR H H 1 8.12 0.01 . 1 . . . . 17 Tyr HN . 7391 1 100 . 1 1 18 18 TYR HA H 1 4.48 0.03 . 1 . . . . 17 Tyr HA . 7391 1 101 . 1 1 18 18 TYR C C 13 175.7 0.20 . 1 . . . . 17 Tyr C . 7391 1 102 . 1 1 18 18 TYR CA C 13 58.5 0.20 . 1 . . . . 17 Tyr CA . 7391 1 103 . 1 1 18 18 TYR CB C 13 38.7 0.20 . 1 . . . . 17 Tyr CB . 7391 1 104 . 1 1 18 18 TYR N N 15 119.6 0.10 . 1 . . . . 17 Tyr N . 7391 1 105 . 1 1 19 19 HIS H H 1 8.50 0.01 . 1 . . . . 18 His HN . 7391 1 106 . 1 1 19 19 HIS HA H 1 4.48 0.03 . 1 . . . . 18 His HA . 7391 1 107 . 1 1 19 19 HIS C C 13 174.2 0.20 . 1 . . . . 18 His C . 7391 1 108 . 1 1 19 19 HIS CA C 13 55.5 0.20 . 1 . . . . 18 His CA . 7391 1 109 . 1 1 19 19 HIS CB C 13 28.9 0.20 . 1 . . . . 18 His CB . 7391 1 110 . 1 1 19 19 HIS N N 15 118.7 0.10 . 1 . . . . 18 His N . 7391 1 111 . 1 1 20 20 LEU H H 1 8.26 0.01 . 1 . . . . 19 Leu HN . 7391 1 112 . 1 1 20 20 LEU HA H 1 4.27 0.03 . 1 . . . . 19 Leu HA . 7391 1 113 . 1 1 20 20 LEU C C 13 177.4 0.20 . 1 . . . . 19 Leu C . 7391 1 114 . 1 1 20 20 LEU CA C 13 55.5 0.20 . 1 . . . . 19 Leu CA . 7391 1 115 . 1 1 20 20 LEU CB C 13 42.3 0.20 . 1 . . . . 19 Leu CB . 7391 1 116 . 1 1 20 20 LEU N N 15 121.9 0.10 . 1 . . . . 19 Leu N . 7391 1 117 . 1 1 21 21 GLU H H 1 8.46 0.01 . 1 . . . . 20 Glu HN . 7391 1 118 . 1 1 21 21 GLU CB C 13 28.9 0.20 . 1 . . . . 20 Glu CB . 7391 1 119 . 1 1 21 21 GLU N N 15 119.6 0.10 . 1 . . . . 20 Glu N . 7391 1 120 . 1 1 22 22 ASN H H 1 8.50 0.01 . 1 . . . . 21 Asn HN . 7391 1 121 . 1 1 22 22 ASN HA H 1 4.48 0.03 . 1 . . . . 21 Asn HA . 7391 1 122 . 1 1 22 22 ASN C C 13 175.3 0.20 . 1 . . . . 21 Asn C . 7391 1 123 . 1 1 22 22 ASN CA C 13 53.4 0.20 . 1 . . . . 21 Asn CA . 7391 1 124 . 1 1 22 22 ASN CB C 13 38.3 0.20 . 1 . . . . 21 Asn CB . 7391 1 125 . 1 1 22 22 ASN N N 15 118.7 0.10 . 1 . . . . 21 Asn N . 7391 1 126 . 1 1 23 23 GLU H H 1 8.35 0.01 . 1 . . . . 22 Glu HN . 7391 1 127 . 1 1 23 23 GLU HA H 1 4.37 0.03 . 1 . . . . 22 Glu HA . 7391 1 128 . 1 1 23 23 GLU C C 13 176.7 0.20 . 1 . . . . 22 Glu C . 7391 1 129 . 1 1 23 23 GLU CA C 13 56.2 0.20 . 1 . . . . 22 Glu CA . 7391 1 130 . 1 1 23 23 GLU CB C 13 28.8 0.20 . 1 . . . . 22 Glu CB . 7391 1 131 . 1 1 23 23 GLU N N 15 119.3 0.10 . 1 . . . . 22 Glu N . 7391 1 132 . 1 1 24 24 VAL H H 1 8.15 0.01 . 1 . . . . 23 Val HN . 7391 1 133 . 1 1 24 24 VAL HA H 1 4.06 0.03 . 1 . . . . 23 Val HA . 7391 1 134 . 1 1 24 24 VAL C C 13 176.0 0.20 . 1 . . . . 23 Val C . 7391 1 135 . 1 1 24 24 VAL CA C 13 62.7 0.20 . 1 . . . . 23 Val CA . 7391 1 136 . 1 1 24 24 VAL CB C 13 32.7 0.20 . 1 . . . . 23 Val CB . 7391 1 137 . 1 1 24 24 VAL N N 15 119.6 0.10 . 1 . . . . 23 Val N . 7391 1 138 . 1 1 25 25 ALA H H 1 8.33 0.01 . 1 . . . . 24 Ala HN . 7391 1 139 . 1 1 25 25 ALA C C 13 177.8 0.20 . 1 . . . . 24 Ala C . 7391 1 140 . 1 1 25 25 ALA CA C 13 52.8 0.20 . 1 . . . . 24 Ala CA . 7391 1 141 . 1 1 25 25 ALA CB C 13 19.1 0.20 . 1 . . . . 24 Ala CB . 7391 1 142 . 1 1 25 25 ALA N N 15 127.1 0.10 . 1 . . . . 24 Ala N . 7391 1 143 . 1 1 26 26 ARG H H 1 8.29 0.01 . 1 . . . . 25 Arg HN . 7391 1 144 . 1 1 26 26 ARG C C 13 176.4 0.20 . 1 . . . . 25 Arg C . 7391 1 145 . 1 1 26 26 ARG CA C 13 56.4 0.20 . 1 . . . . 25 Arg CA . 7391 1 146 . 1 1 26 26 ARG CB C 13 30.8 0.20 . 1 . . . . 25 Arg CB . 7391 1 147 . 1 1 26 26 ARG N N 15 119.0 0.10 . 1 . . . . 25 Arg N . 7391 1 148 . 1 1 27 27 LEU H H 1 8.23 0.01 . 1 . . . . 26 Leu HN . 7391 1 149 . 1 1 27 27 LEU HA H 1 4.27 0.03 . 1 . . . . 26 Leu HA . 7391 1 150 . 1 1 27 27 LEU C C 13 177.4 0.20 . 1 . . . . 26 Leu C . 7391 1 151 . 1 1 27 27 LEU CA C 13 55.4 0.20 . 1 . . . . 26 Leu CA . 7391 1 152 . 1 1 27 27 LEU CB C 13 42.4 0.20 . 1 . . . . 26 Leu CB . 7391 1 153 . 1 1 27 27 LEU N N 15 121.8 0.10 . 1 . . . . 26 Leu N . 7391 1 154 . 1 1 28 28 LYS H H 1 8.46 0.01 . 1 . . . . 27 Lys HN . 7391 1 155 . 1 1 28 28 LYS HA H 1 4.27 0.03 . 1 . . . . 27 Lys HA . 7391 1 156 . 1 1 28 28 LYS C C 13 176.5 0.20 . 1 . . . . 27 Lys C . 7391 1 157 . 1 1 28 28 LYS CA C 13 56.7 0.20 . 1 . . . . 27 Lys CA . 7391 1 158 . 1 1 28 28 LYS CB C 13 33.1 0.20 . 1 . . . . 27 Lys CB . 7391 1 159 . 1 1 28 28 LYS N N 15 121.5 0.10 . 1 . . . . 27 Lys N . 7391 1 160 . 1 1 29 29 LYS H H 1 8.40 0.01 . 1 . . . . 28 Lys HN . 7391 1 161 . 1 1 29 29 LYS HA H 1 4.27 0.03 . 1 . . . . 28 Lys HA . 7391 1 162 . 1 1 29 29 LYS C C 13 176.4 0.20 . 1 . . . . 28 Lys C . 7391 1 163 . 1 1 29 29 LYS CA C 13 56.6 0.20 . 1 . . . . 28 Lys CA . 7391 1 164 . 1 1 29 29 LYS N N 15 121.8 0.10 . 1 . . . . 28 Lys N . 7391 1 165 . 1 1 30 30 LEU H H 1 8.39 0.01 . 1 . . . . 29 Leu HN . 7391 1 166 . 1 1 30 30 LEU HA H 1 4.38 0.03 . 1 . . . . 29 Leu HA . 7391 1 167 . 1 1 30 30 LEU C C 13 177.3 0.20 . 1 . . . . 29 Leu C . 7391 1 168 . 1 1 30 30 LEU CA C 13 55.2 0.20 . 1 . . . . 29 Leu CA . 7391 1 169 . 1 1 30 30 LEU CB C 13 42.3 0.20 . 1 . . . . 29 Leu CB . 7391 1 170 . 1 1 30 30 LEU N N 15 123.0 0.10 . 1 . . . . 29 Leu N . 7391 1 171 . 1 1 31 31 VAL H H 1 8.26 0.01 . 1 . . . . 30 Val HN . 7391 1 172 . 1 1 31 31 VAL HA H 1 4.17 0.03 . 1 . . . . 30 Val HA . 7391 1 173 . 1 1 31 31 VAL C C 13 176.6 0.20 . 1 . . . . 30 Val C . 7391 1 174 . 1 1 31 31 VAL CA C 13 62.6 0.20 . 1 . . . . 30 Val CA . 7391 1 175 . 1 1 31 31 VAL CB C 13 32.9 0.20 . 1 . . . . 30 Val CB . 7391 1 176 . 1 1 31 31 VAL N N 15 119.9 0.10 . 1 . . . . 30 Val N . 7391 1 177 . 1 1 32 32 GLY H H 1 8.49 0.01 . 1 . . . . 31 Gly HN . 7391 1 178 . 1 1 32 32 GLY HA2 H 1 3.96 0.03 . 2 . . . . 31 Gly HA . 7391 1 179 . 1 1 32 32 GLY HA3 H 1 3.96 0.03 . 2 . . . . 31 Gly HA . 7391 1 180 . 1 1 32 32 GLY C C 13 173.9 0.20 . 1 . . . . 31 Gly C . 7391 1 181 . 1 1 32 32 GLY CA C 13 45.3 0.20 . 1 . . . . 31 Gly CA . 7391 1 182 . 1 1 32 32 GLY N N 15 111.0 0.10 . 1 . . . . 31 Gly N . 7391 1 183 . 1 1 33 33 GLU H H 1 8.21 0.01 . 1 . . . . 32 Glu HN . 7391 1 184 . 1 1 33 33 GLU HA H 1 4.27 0.03 . 1 . . . . 32 Glu HA . 7391 1 185 . 1 1 33 33 GLU C C 13 178.5 0.20 . 1 . . . . 32 Glu C . 7391 1 186 . 1 1 33 33 GLU CA C 13 55.3 0.20 . 1 . . . . 32 Glu CA . 7391 1 187 . 1 1 33 33 GLU CB C 13 28.7 0.20 . 1 . . . . 32 Glu CB . 7391 1 188 . 1 1 33 33 GLU N N 15 119.0 0.10 . 1 . . . . 32 Glu N . 7391 1 stop_ save_