data_15316 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15316 _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 2009-08-12 _Entry.Original_release_date 2009-08-12 _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. . 15316 2 Andrei Alexandrescu . T. . 15316 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Connecticut' . 15316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 142 15316 '15N chemical shifts' 31 15316 '1H chemical shifts' 220 15316 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 . . 2009-08-12 2007-06-19 original author . 15316 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7391 'denatured protein' 15316 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15316 _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. . 15316 1 2 Barbara Ciani . . . 15316 1 3 Carolyn Fitch . A. . 15316 1 4 Bertrand Garcia-Moreno . E. . 15316 1 5 Richard Kammerer . A. . 15316 1 6 Andrei Alexandrescu . T. . 15316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15316 _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 . . . 15316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GCN4p-wt _Entity.Sf_category entity _Entity.Sf_framecode GCN4p-wt _Entity.Entry_ID 15316 _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 . _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 2015-11-26 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 2.80e-11 . . . . 15316 1 2 no BMRB 1397 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 2.80e-11 . . . . 15316 1 3 no BMRB 1398 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 2.80e-11 . . . . 15316 1 4 no BMRB 1399 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 2.80e-11 . . . . 15316 1 5 no BMRB 1451 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 2.80e-11 . . . . 15316 1 6 no BMRB 1452 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 2.80e-11 . . . . 15316 1 7 no BMRB 1453 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 2.80e-11 . . . . 15316 1 8 no BMRB 1454 . "transcriptional regulator GCN4" . . . . . 93.94 61 100.00 100.00 2.80e-11 . . . . 15316 1 9 no BMRB 17511 . LZ-GCN4 . . . . . 93.94 36 100.00 100.00 1.33e-10 . . . . 15316 1 10 no BMRB 2062 . "transcriptional regulator GCN4-p2N" . . . . . 100.00 37 96.97 96.97 1.55e-11 . . . . 15316 1 11 no BMRB 371 . "transcriptional regulator GCN4" . . . . . 93.94 33 100.00 100.00 1.29e-10 . . . . 15316 1 12 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 2.91e-11 . . . . 15316 1 13 no PDB 1LD4 . "Placement Of The Structural Proteins In Sindbis Virus" . . . . . 93.94 57 100.00 100.00 2.86e-11 . . . . 15316 1 14 no PDB 1LLM . "Crystal Structure Of A Zif23-Gcn4 Chimera Bound To Dna" . . . . . 84.85 88 100.00 100.00 1.21e-08 . . . . 15316 1 15 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 3.53e-12 . . . . 15316 1 16 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 3.49e-11 . . . . 15316 1 17 no PDB 1ZTA . "The Solution Structure Of A Leucine-Zipper Motif Peptide" . . . . . 93.94 35 100.00 100.00 1.15e-10 . . . . 15316 1 18 no PDB 2DGC . "Gcn4 Basic Domain, Leucine Zipper Complexed With AtfCREB Site Dna" . . . . . 93.94 63 100.00 100.00 2.88e-11 . . . . 15316 1 19 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 2.98e-08 . . . . 15316 1 20 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 2.98e-08 . . . . 15316 1 21 no PDB 2OVN . "Nmr Structure Of The Gcn4 Trigger Peptide" . . . . . 51.52 17 100.00 100.00 1.92e-01 . . . . 15316 1 22 no PDB 2ZTA . "X-Ray Structure Of The Gcn4 Leucine Zipper, A Two-Stranded, Parallel Coiled Coil" . . . . . 93.94 34 100.00 100.00 1.25e-10 . . . . 15316 1 23 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 3.53e-12 . . . . 15316 1 24 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 3.53e-12 . . . . 15316 1 25 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 4.88e-09 . . . . 15316 1 26 no PDB 4DMD . "Gcn4 Leucine Zipper Domain In A Dimeric Oligomerization State" . . . . . 93.94 34 100.00 100.00 1.25e-10 . . . . 15316 1 27 no PDB 4DME . "Gcn4 Leucine Zipper Domain In A Trimeric Oligomerization State" . . . . . 93.94 35 100.00 100.00 1.26e-10 . . . . 15316 1 28 no PDB 4LPZ . "Arnt Transcription Factor/coactivator Complex" . . . . . 51.52 44 100.00 100.00 8.34e-02 . . . . 15316 1 29 no DBJ GAA22815 . "K7_Gcn4p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 93.94 281 100.00 100.00 8.61e-11 . . . . 15316 1 30 no EMBL CAE52206 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 8.70e-11 . . . . 15316 1 31 no EMBL CAE52207 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 8.70e-11 . . . . 15316 1 32 no EMBL CAE52208 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 8.70e-11 . . . . 15316 1 33 no EMBL CAE52209 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 8.70e-11 . . . . 15316 1 34 no EMBL CAE52210 . "Gcn4p [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 8.61e-11 . . . . 15316 1 35 no GB AAA34640 . "GCN4 protein [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 8.79e-11 . . . . 15316 1 36 no GB AAB64486 . "Transcriptional activator of amino acid biosynthetic genes [Saccharomyces cerevisiae]" . . . . . 93.94 281 100.00 100.00 8.79e-11 . . . . 15316 1 37 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 5.66e-11 . . . . 15316 1 38 no GB AAD37724 . "PelB-IgG kappa light chain fusion protein [Cloning vector pCLZip]" . . . . . 93.94 192 100.00 100.00 1.12e-10 . . . . 15316 1 39 no GB AAK07887 . "cI-GCN4 repressor fusion protein [Cloning vector pJH370]" . . . . . 93.94 166 100.00 100.00 1.92e-10 . . . . 15316 1 40 no REF NP_010907 . "amino acid starvation-responsive transcription factor GCN4 [Saccharomyces cerevisiae S288c]" . . . . . 93.94 281 100.00 100.00 8.79e-11 . . . . 15316 1 41 no SP P03069 . "RecName: Full=General control protein GCN4; AltName: Full=Amino acid biosynthesis regulatory protein" . . . . . 93.94 281 100.00 100.00 8.79e-11 . . . . 15316 1 42 no TPG DAA07643 . "TPA: amino acid starvation-responsive transcription factor GCN4 [Saccharomyces cerevisiae S288c]" . . . . . 93.94 281 100.00 100.00 8.79e-11 . . . . 15316 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 . 15316 1 2 . SER . 15316 1 3 . MET . 15316 1 4 . LYS . 15316 1 5 . GLN . 15316 1 6 . LEU . 15316 1 7 . GLU . 15316 1 8 . ASP . 15316 1 9 . LYS . 15316 1 10 . VAL . 15316 1 11 . GLU . 15316 1 12 . GLU . 15316 1 13 . LEU . 15316 1 14 . LEU . 15316 1 15 . SER . 15316 1 16 . LYS . 15316 1 17 . ASN . 15316 1 18 . TYR . 15316 1 19 . HIS . 15316 1 20 . LEU . 15316 1 21 . GLU . 15316 1 22 . ASN . 15316 1 23 . GLU . 15316 1 24 . VAL . 15316 1 25 . ALA . 15316 1 26 . ARG . 15316 1 27 . LEU . 15316 1 28 . LYS . 15316 1 29 . LYS . 15316 1 30 . LEU . 15316 1 31 . VAL . 15316 1 32 . GLY . 15316 1 33 . GLU . 15316 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 15316 1 . SER 2 2 15316 1 . MET 3 3 15316 1 . LYS 4 4 15316 1 . GLN 5 5 15316 1 . LEU 6 6 15316 1 . GLU 7 7 15316 1 . ASP 8 8 15316 1 . LYS 9 9 15316 1 . VAL 10 10 15316 1 . GLU 11 11 15316 1 . GLU 12 12 15316 1 . LEU 13 13 15316 1 . LEU 14 14 15316 1 . SER 15 15 15316 1 . LYS 16 16 15316 1 . ASN 17 17 15316 1 . TYR 18 18 15316 1 . HIS 19 19 15316 1 . LEU 20 20 15316 1 . GLU 21 21 15316 1 . ASN 22 22 15316 1 . GLU 23 23 15316 1 . VAL 24 24 15316 1 . ALA 25 25 15316 1 . ARG 26 26 15316 1 . LEU 27 27 15316 1 . LYS 28 28 15316 1 . LYS 29 29 15316 1 . LEU 30 30 15316 1 . VAL 31 31 15316 1 . GLY 32 32 15316 1 . GLU 33 33 15316 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 15316 _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 . . . . . . . . . . . . . . . . . . . . . 15316 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 15316 _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 . . . . . . 15316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Native_GCN4p-wt_1 _Sample.Sf_category sample _Sample.Sf_framecode Native_GCN4p-wt_1 _Sample.Entry_ID 15316 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.1mM 13C/15N GCN4p-wt, 150 mM NaCl, 10 mM phosphate buffer, pH 6.2, 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 . . 2.1 . . mM . . . . 15316 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15316 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15316 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15316 1 stop_ save_ ####################### # Sample conditions # ####################### save_Native_GCN4p-wt_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Native_GCN4p-wt_cond _Sample_condition_list.Entry_ID 15316 _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 6.2 . pH 15316 1 temperature 298 . K 15316 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15316 _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.' . . 15316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15316 1 'peak picking' 15316 1 processing 15316 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 15316 _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 15316 _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 . . 15316 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 15316 _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 $Native_GCN4p-wt_1 isotropic . . 1 $Native_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15316 1 2 '3D HNCO' no . . . . . . . . . . 1 $Native_GCN4p-wt_1 isotropic . . 1 $Native_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15316 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Native_GCN4p-wt_1 isotropic . . 1 $Native_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15316 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $Native_GCN4p-wt_1 isotropic . . 1 $Native_GCN4p-wt_cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15316 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 15316 _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 . indirect 0.251449530 . . . . . . . . . 15316 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15316 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15316 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_native_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode native_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15316 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Native_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' . . . 15316 1 2 '3D HNCO' . . . 15316 1 3 '3D HCCH-TOCSY' . . . 15316 1 4 '3D 1H-13C NOESY' . . . 15316 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 . . 15316 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 HA2 H 1 3.87 . . . . . . . 0 Gly HA2 . 15316 1 2 . 1 1 1 1 GLY HA3 H 1 3.83 . . . . . . . 0 Gly HA3 . 15316 1 3 . 1 1 1 1 GLY C C 13 175.0 . . . . . . . 0 Gly C . 15316 1 4 . 1 1 1 1 GLY CA C 13 43.4 . . . . . . . 0 Gly CA . 15316 1 5 . 1 1 2 2 SER HA H 1 4.11 . . . . . . . 1 Ser HA . 15316 1 6 . 1 1 2 2 SER C C 13 175.0 . . . . . . . 1 Ser C . 15316 1 7 . 1 1 2 2 SER CB C 13 64.5 . . . . . . . 1 Ser CB . 15316 1 8 . 1 1 3 3 MET H H 1 8.94 . . . . . . . 2 Met H . 15316 1 9 . 1 1 3 3 MET HA H 1 4.18 . . . . . . . 2 Met HA . 15316 1 10 . 1 1 3 3 MET HB2 H 1 2.49 . . . . . . . 2 Met HB2 . 15316 1 11 . 1 1 3 3 MET HB3 H 1 2.17 . . . . . . . 2 Met HB3 . 15316 1 12 . 1 1 3 3 MET HG2 H 1 2.57 . . . . . . . 2 Met Hg . 15316 1 13 . 1 1 3 3 MET HG3 H 1 2.57 . . . . . . . 2 Met Hg . 15316 1 14 . 1 1 3 3 MET C C 13 176.7 . . . . . . . 2 Met C . 15316 1 15 . 1 1 3 3 MET CA C 13 58.2 . . . . . . . 2 Met CA . 15316 1 16 . 1 1 3 3 MET CB C 13 31.6 . . . . . . . 2 Met CB . 15316 1 17 . 1 1 3 3 MET CG C 13 31.9 . . . . . . . 2 Met Cg . 15316 1 18 . 1 1 3 3 MET N N 15 122.6 . . . . . . . 2 Met N . 15316 1 19 . 1 1 4 4 LYS H H 1 8.22 . . . . . . . 3 Lys H . 15316 1 20 . 1 1 4 4 LYS HA H 1 4.11 . . . . . . . 3 Lys HA . 15316 1 21 . 1 1 4 4 LYS HB2 H 1 1.76 . . . . . . . 3 Lys HB2 . 15316 1 22 . 1 1 4 4 LYS HB3 H 1 1.44 . . . . . . . 3 Lys HB3 . 15316 1 23 . 1 1 4 4 LYS HE2 H 1 3.03 . . . . . . . 3 Lys He . 15316 1 24 . 1 1 4 4 LYS HE3 H 1 3.03 . . . . . . . 3 Lys He . 15316 1 25 . 1 1 4 4 LYS HG2 H 1 1.60 . . . . . . . 3 Lys Hg . 15316 1 26 . 1 1 4 4 LYS HG3 H 1 1.60 . . . . . . . 3 Lys Hg . 15316 1 27 . 1 1 4 4 LYS C C 13 177.3 . . . . . . . 3 Lys C . 15316 1 28 . 1 1 4 4 LYS CA C 13 58.2 . . . . . . . 3 Lys CA . 15316 1 29 . 1 1 4 4 LYS CB C 13 31.6 . . . . . . . 3 Lys CB . 15316 1 30 . 1 1 4 4 LYS CD C 13 27.9 . . . . . . . 3 Lys Cd . 15316 1 31 . 1 1 4 4 LYS CE C 13 41.7 . . . . . . . 3 Lys Ce . 15316 1 32 . 1 1 4 4 LYS CG C 13 23.9 . . . . . . . 3 Lys Cg . 15316 1 33 . 1 1 4 4 LYS N N 15 119.8 . . . . . . . 3 Lys N . 15316 1 34 . 1 1 5 5 GLN H H 1 7.76 . . . . . . . 4 Gln H . 15316 1 35 . 1 1 5 5 GLN HA H 1 4.13 . . . . . . . 4 Gln HA . 15316 1 36 . 1 1 5 5 GLN HG2 H 1 2.44 . . . . . . . 4 Gln Hg . 15316 1 37 . 1 1 5 5 GLN HG3 H 1 2.44 . . . . . . . 4 Gln Hg . 15316 1 38 . 1 1 5 5 GLN C C 13 180.1 . . . . . . . 4 Gln C . 15316 1 39 . 1 1 5 5 GLN CA C 13 58.6 . . . . . . . 4 Gln CA . 15316 1 40 . 1 1 5 5 GLN CB C 13 27.9 . . . . . . . 4 Gln CB . 15316 1 41 . 1 1 5 5 GLN CG C 13 34.0 . . . . . . . 4 Gln Cg . 15316 1 42 . 1 1 5 5 GLN N N 15 117.0 . . . . . . . 4 Gln N . 15316 1 43 . 1 1 6 6 LEU H H 1 7.85 . . . . . . . 5 Leu H . 15316 1 44 . 1 1 6 6 LEU HA H 1 4.13 . . . . . . . 5 Leu HA . 15316 1 45 . 1 1 6 6 LEU HB2 H 1 1.44 . . . . . . . 5 Leu HB . 15316 1 46 . 1 1 6 6 LEU HB3 H 1 1.44 . . . . . . . 5 Leu HB . 15316 1 47 . 1 1 6 6 LEU HD11 H 1 0.87 . . . . . . . 5 Leu Hd . 15316 1 48 . 1 1 6 6 LEU HD12 H 1 0.87 . . . . . . . 5 Leu Hd . 15316 1 49 . 1 1 6 6 LEU HD13 H 1 0.87 . . . . . . . 5 Leu Hd . 15316 1 50 . 1 1 6 6 LEU HD21 H 1 0.87 . . . . . . . 5 Leu Hd . 15316 1 51 . 1 1 6 6 LEU HD22 H 1 0.87 . . . . . . . 5 Leu Hd . 15316 1 52 . 1 1 6 6 LEU HD23 H 1 0.87 . . . . . . . 5 Leu Hd . 15316 1 53 . 1 1 6 6 LEU C C 13 180.4 . . . . . . . 5 Leu C . 15316 1 54 . 1 1 6 6 LEU CA C 13 57.2 . . . . . . . 5 Leu CA . 15316 1 55 . 1 1 6 6 LEU CB C 13 42.3 . . . . . . . 5 Leu CB . 15316 1 56 . 1 1 6 6 LEU CD1 C 13 23.1 . . . . . . . 5 Leu Cd1 . 15316 1 57 . 1 1 6 6 LEU CD2 C 13 22.0 . . . . . . . 5 Leu Cd2 . 15316 1 58 . 1 1 6 6 LEU CG C 13 25.7 . . . . . . . 5 Leu Cg . 15316 1 59 . 1 1 6 6 LEU N N 15 121.4 . . . . . . . 5 Leu N . 15316 1 60 . 1 1 7 7 GLU H H 1 8.70 . . . . . . . 6 Glu H . 15316 1 61 . 1 1 7 7 GLU HA H 1 3.75 . . . . . . . 6 Glu HA . 15316 1 62 . 1 1 7 7 GLU HB2 H 1 2.25 . . . . . . . 6 Glu HB . 15316 1 63 . 1 1 7 7 GLU HB3 H 1 2.25 . . . . . . . 6 Glu HB . 15316 1 64 . 1 1 7 7 GLU HG2 H 1 2.50 . . . . . . . 6 Glu Hg2 . 15316 1 65 . 1 1 7 7 GLU HG3 H 1 2.18 . . . . . . . 6 Glu Hg3 . 15316 1 66 . 1 1 7 7 GLU C C 13 180.4 . . . . . . . 6 Glu C . 15316 1 67 . 1 1 7 7 GLU CA C 13 59.6 . . . . . . . 6 Glu CA . 15316 1 68 . 1 1 7 7 GLU CB C 13 29.3 . . . . . . . 6 Glu CB . 15316 1 69 . 1 1 7 7 GLU CG C 13 35.3 . . . . . . . 6 Glu Cg . 15316 1 70 . 1 1 7 7 GLU N N 15 115.7 . . . . . . . 6 Glu N . 15316 1 71 . 1 1 8 8 ASP H H 1 8.68 . . . . . . . 7 Asp H . 15316 1 72 . 1 1 8 8 ASP HA H 1 4.35 . . . . . . . 7 Asp HA . 15316 1 73 . 1 1 8 8 ASP HB2 H 1 2.86 . . . . . . . 7 Asp HB2 . 15316 1 74 . 1 1 8 8 ASP HB3 H 1 2.71 . . . . . . . 7 Asp HB3 . 15316 1 75 . 1 1 8 8 ASP C C 13 178.9 . . . . . . . 7 Asp C . 15316 1 76 . 1 1 8 8 ASP CA C 13 56.8 . . . . . . . 7 Asp CA . 15316 1 77 . 1 1 8 8 ASP CB C 13 39.1 . . . . . . . 7 Asp CB . 15316 1 78 . 1 1 8 8 ASP N N 15 120.2 . . . . . . . 7 Asp N . 15316 1 79 . 1 1 9 9 LYS H H 1 7.91 . . . . . . . 8 Lys H . 15316 1 80 . 1 1 9 9 LYS HA H 1 4.19 . . . . . . . 8 Lys HA . 15316 1 81 . 1 1 9 9 LYS HB2 H 1 1.60 . . . . . . . 8 Lys HB2 . 15316 1 82 . 1 1 9 9 LYS HB3 H 1 1.76 . . . . . . . 8 Lys HB3 . 15316 1 83 . 1 1 9 9 LYS HE2 H 1 3.06 . . . . . . . 8 Lys He . 15316 1 84 . 1 1 9 9 LYS HE3 H 1 3.06 . . . . . . . 8 Lys He . 15316 1 85 . 1 1 9 9 LYS C C 13 179.5 . . . . . . . 8 Lys C . 15316 1 86 . 1 1 9 9 LYS CA C 13 57.7 . . . . . . . 8 Lys CA . 15316 1 87 . 1 1 9 9 LYS CB C 13 30.7 . . . . . . . 8 Lys CB . 15316 1 88 . 1 1 9 9 LYS CD C 13 27.3 . . . . . . . 8 Lys Cd . 15316 1 89 . 1 1 9 9 LYS CE C 13 41.9 . . . . . . . 8 Lys Ce . 15316 1 90 . 1 1 9 9 LYS CG C 13 23.9 . . . . . . . 8 Lys Cg . 15316 1 91 . 1 1 9 9 LYS N N 15 123.7 . . . . . . . 8 Lys N . 15316 1 92 . 1 1 10 10 VAL H H 1 8.46 . . . . . . . 9 Val H . 15316 1 93 . 1 1 10 10 VAL HA H 1 3.38 . . . . . . . 9 Val HA . 15316 1 94 . 1 1 10 10 VAL HB H 1 2.25 . . . . . . . 9 Val HB . 15316 1 95 . 1 1 10 10 VAL HG11 H 1 1.04 . . . . . . . 9 Val Hg1 . 15316 1 96 . 1 1 10 10 VAL HG12 H 1 1.04 . . . . . . . 9 Val Hg1 . 15316 1 97 . 1 1 10 10 VAL HG13 H 1 1.04 . . . . . . . 9 Val Hg1 . 15316 1 98 . 1 1 10 10 VAL HG21 H 1 0.88 . . . . . . . 9 Val Hg2 . 15316 1 99 . 1 1 10 10 VAL HG22 H 1 0.88 . . . . . . . 9 Val Hg2 . 15316 1 100 . 1 1 10 10 VAL HG23 H 1 0.88 . . . . . . . 9 Val Hg2 . 15316 1 101 . 1 1 10 10 VAL C C 13 177.3 . . . . . . . 9 Val C . 15316 1 102 . 1 1 10 10 VAL CA C 13 67.5 . . . . . . . 9 Val CA . 15316 1 103 . 1 1 10 10 VAL CB C 13 31.1 . . . . . . . 9 Val CB . 15316 1 104 . 1 1 10 10 VAL CG1 C 13 24.4 . . . . . . . 9 Val Cg1 . 15316 1 105 . 1 1 10 10 VAL CG2 C 13 20.7 . . . . . . . 9 Val Cg2 . 15316 1 106 . 1 1 10 10 VAL N N 15 120.3 . . . . . . . 9 Val N . 15316 1 107 . 1 1 11 11 GLU H H 1 7.76 . . . . . . . 10 Glu H . 15316 1 108 . 1 1 11 11 GLU HA H 1 3.94 . . . . . . . 10 Glu HA . 15316 1 109 . 1 1 11 11 GLU HB2 H 1 2.08 . . . . . . . 10 Glu HB . 15316 1 110 . 1 1 11 11 GLU HB3 H 1 2.08 . . . . . . . 10 Glu HB . 15316 1 111 . 1 1 11 11 GLU HG2 H 1 2.19 . . . . . . . 10 Glu Hg . 15316 1 112 . 1 1 11 11 GLU HG3 H 1 2.19 . . . . . . . 10 Glu Hg . 15316 1 113 . 1 1 11 11 GLU C C 13 179.5 . . . . . . . 10 Glu C . 15316 1 114 . 1 1 11 11 GLU CA C 13 59.1 . . . . . . . 10 Glu CA . 15316 1 115 . 1 1 11 11 GLU CB C 13 28.8 . . . . . . . 10 Glu CB . 15316 1 116 . 1 1 11 11 GLU CG C 13 35.4 . . . . . . . 10 Glu Cg . 15316 1 117 . 1 1 11 11 GLU N N 15 117.6 . . . . . . . 10 Glu N . 15316 1 118 . 1 1 12 12 GLU H H 1 8.15 . . . . . . . 11 Glu H . 15316 1 119 . 1 1 12 12 GLU HA H 1 4.43 . . . . . . . 11 Glu HA . 15316 1 120 . 1 1 12 12 GLU HB2 H 1 2.09 . . . . . . . 11 Glu HB . 15316 1 121 . 1 1 12 12 GLU HB3 H 1 2.09 . . . . . . . 11 Glu HB . 15316 1 122 . 1 1 12 12 GLU HG2 H 1 2.41 . . . . . . . 11 Glu Hg2 . 15316 1 123 . 1 1 12 12 GLU HG3 H 1 2.33 . . . . . . . 11 Glu Hg3 . 15316 1 124 . 1 1 12 12 GLU C C 13 179.7 . . . . . . . 11 Glu C . 15316 1 125 . 1 1 12 12 GLU CA C 13 58.1 . . . . . . . 11 Glu CA . 15316 1 126 . 1 1 12 12 GLU CB C 13 29.3 . . . . . . . 11 Glu CB . 15316 1 127 . 1 1 12 12 GLU CG C 13 35.5 . . . . . . . 11 Glu Cg . 15316 1 128 . 1 1 12 12 GLU N N 15 121.2 . . . . . . . 11 Glu N . 15316 1 129 . 1 1 13 13 LEU H H 1 8.68 . . . . . . . 12 Leu H . 15316 1 130 . 1 1 13 13 LEU HA H 1 4.03 . . . . . . . 12 Leu HA . 15316 1 131 . 1 1 13 13 LEU HB2 H 1 1.28 . . . . . . . 12 Leu HB . 15316 1 132 . 1 1 13 13 LEU HB3 H 1 1.28 . . . . . . . 12 Leu HB . 15316 1 133 . 1 1 13 13 LEU HD11 H 1 0.87 . . . . . . . 12 Leu Hd . 15316 1 134 . 1 1 13 13 LEU HD12 H 1 0.87 . . . . . . . 12 Leu Hd . 15316 1 135 . 1 1 13 13 LEU HD13 H 1 0.87 . . . . . . . 12 Leu Hd . 15316 1 136 . 1 1 13 13 LEU HD21 H 1 0.87 . . . . . . . 12 Leu Hd . 15316 1 137 . 1 1 13 13 LEU HD22 H 1 0.87 . . . . . . . 12 Leu Hd . 15316 1 138 . 1 1 13 13 LEU HD23 H 1 0.87 . . . . . . . 12 Leu Hd . 15316 1 139 . 1 1 13 13 LEU C C 13 179.6 . . . . . . . 12 Leu C . 15316 1 140 . 1 1 13 13 LEU CA C 13 57.7 . . . . . . . 12 Leu CA . 15316 1 141 . 1 1 13 13 LEU CB C 13 42.8 . . . . . . . 12 Leu CB . 15316 1 142 . 1 1 13 13 LEU CD1 C 13 22.3 . . . . . . . 12 Leu Cd . 15316 1 143 . 1 1 13 13 LEU CD2 C 13 22.3 . . . . . . . 12 Leu Cd . 15316 1 144 . 1 1 13 13 LEU CG C 13 27.3 . . . . . . . 12 Leu Cg . 15316 1 145 . 1 1 13 13 LEU N N 15 120.8 . . . . . . . 12 Leu N . 15316 1 146 . 1 1 14 14 LEU H H 1 9.07 . . . . . . . 13 Leu H . 15316 1 147 . 1 1 14 14 LEU HA H 1 4.10 . . . . . . . 13 Leu HA . 15316 1 148 . 1 1 14 14 LEU HB2 H 1 1.92 . . . . . . . 13 Leu HB . 15316 1 149 . 1 1 14 14 LEU HB3 H 1 1.92 . . . . . . . 13 Leu HB . 15316 1 150 . 1 1 14 14 LEU HD11 H 1 0.87 . . . . . . . 13 Leu Hd . 15316 1 151 . 1 1 14 14 LEU HD12 H 1 0.87 . . . . . . . 13 Leu Hd . 15316 1 152 . 1 1 14 14 LEU HD13 H 1 0.87 . . . . . . . 13 Leu Hd . 15316 1 153 . 1 1 14 14 LEU HD21 H 1 0.87 . . . . . . . 13 Leu Hd . 15316 1 154 . 1 1 14 14 LEU HD22 H 1 0.87 . . . . . . . 13 Leu Hd . 15316 1 155 . 1 1 14 14 LEU HD23 H 1 0.87 . . . . . . . 13 Leu Hd . 15316 1 156 . 1 1 14 14 LEU C C 13 180.0 . . . . . . . 13 Leu C . 15316 1 157 . 1 1 14 14 LEU CA C 13 57.7 . . . . . . . 13 Leu CA . 15316 1 158 . 1 1 14 14 LEU CB C 13 41.4 . . . . . . . 13 Leu CB . 15316 1 159 . 1 1 14 14 LEU CD1 C 13 23.4 . . . . . . . 13 Leu Cd . 15316 1 160 . 1 1 14 14 LEU CD2 C 13 23.4 . . . . . . . 13 Leu Cd . 15316 1 161 . 1 1 14 14 LEU CG C 13 25.5 . . . . . . . 13 Leu Cg . 15316 1 162 . 1 1 14 14 LEU N N 15 122.3 . . . . . . . 13 Leu N . 15316 1 163 . 1 1 15 15 SER H H 1 7.80 . . . . . . . 14 Ser H . 15316 1 164 . 1 1 15 15 SER HA H 1 4.10 . . . . . . . 14 Ser HA . 15316 1 165 . 1 1 15 15 SER HB2 H 1 4.10 . . . . . . . 14 Ser HB . 15316 1 166 . 1 1 15 15 SER HB3 H 1 4.10 . . . . . . . 14 Ser HB . 15316 1 167 . 1 1 15 15 SER C C 13 177.8 . . . . . . . 14 Ser C . 15316 1 168 . 1 1 15 15 SER CA C 13 61.0 . . . . . . . 14 Ser CA . 15316 1 169 . 1 1 15 15 SER CB C 13 62.4 . . . . . . . 14 Ser CB . 15316 1 170 . 1 1 15 15 SER N N 15 114.8 . . . . . . . 14 Ser N . 15316 1 171 . 1 1 16 16 LYS H H 1 8.32 . . . . . . . 15 Lys H . 15316 1 172 . 1 1 16 16 LYS HA H 1 4.14 . . . . . . . 15 Lys HA . 15316 1 173 . 1 1 16 16 LYS HB2 H 1 1.84 . . . . . . . 15 Lys HB2 . 15316 1 174 . 1 1 16 16 LYS HB3 H 1 1.68 . . . . . . . 15 Lys HB3 . 15316 1 175 . 1 1 16 16 LYS HE2 H 1 2.94 . . . . . . . 15 Lys He . 15316 1 176 . 1 1 16 16 LYS HE3 H 1 2.94 . . . . . . . 15 Lys He . 15316 1 177 . 1 1 16 16 LYS HG2 H 1 1.44 . . . . . . . 15 Lys Hg . 15316 1 178 . 1 1 16 16 LYS HG3 H 1 1.44 . . . . . . . 15 Lys Hg . 15316 1 179 . 1 1 16 16 LYS C C 13 178.9 . . . . . . . 15 Lys C . 15316 1 180 . 1 1 16 16 LYS CA C 13 59.1 . . . . . . . 15 Lys CA . 15316 1 181 . 1 1 16 16 LYS CB C 13 32.5 . . . . . . . 15 Lys CB . 15316 1 182 . 1 1 16 16 LYS CD C 13 25.2 . . . . . . . 15 Lys Cd . 15316 1 183 . 1 1 16 16 LYS CE C 13 41.5 . . . . . . . 15 Lys Ce . 15316 1 184 . 1 1 16 16 LYS CG C 13 28.9 . . . . . . . 15 Lys Cg . 15316 1 185 . 1 1 16 16 LYS N N 15 122.7 . . . . . . . 15 Lys N . 15316 1 186 . 1 1 17 17 ASN H H 1 8.84 . . . . . . . 16 Asn H . 15316 1 187 . 1 1 17 17 ASN HA H 1 4.34 . . . . . . . 16 Asn HA . 15316 1 188 . 1 1 17 17 ASN HB2 H 1 3.30 . . . . . . . 16 Asn HB2 . 15316 1 189 . 1 1 17 17 ASN HB3 H 1 2.73 . . . . . . . 16 Asn HB3 . 15316 1 190 . 1 1 17 17 ASN C C 13 177.4 . . . . . . . 16 Asn C . 15316 1 191 . 1 1 17 17 ASN CA C 13 56.8 . . . . . . . 16 Asn CA . 15316 1 192 . 1 1 17 17 ASN CB C 13 38.6 . . . . . . . 16 Asn CB . 15316 1 193 . 1 1 17 17 ASN N N 15 119.9 . . . . . . . 16 Asn N . 15316 1 194 . 1 1 18 18 TYR H H 1 8.23 . . . . . . . 17 Tyr H . 15316 1 195 . 1 1 18 18 TYR HA H 1 4.39 . . . . . . . 17 Tyr HA . 15316 1 196 . 1 1 18 18 TYR HB2 H 1 3.22 . . . . . . . 17 Tyr HB . 15316 1 197 . 1 1 18 18 TYR HB3 H 1 3.22 . . . . . . . 17 Tyr HB . 15316 1 198 . 1 1 18 18 TYR HD1 H 1 7.07 . . . . . . . 17 Tyr Hd . 15316 1 199 . 1 1 18 18 TYR HD2 H 1 7.07 . . . . . . . 17 Tyr Hd . 15316 1 200 . 1 1 18 18 TYR HE1 H 1 6.82 . . . . . . . 17 Tyr He . 15316 1 201 . 1 1 18 18 TYR HE2 H 1 6.82 . . . . . . . 17 Tyr He . 15316 1 202 . 1 1 18 18 TYR C C 13 178.2 . . . . . . . 17 Tyr C . 15316 1 203 . 1 1 18 18 TYR CA C 13 60.5 . . . . . . . 17 Tyr CA . 15316 1 204 . 1 1 18 18 TYR CB C 13 37.7 . . . . . . . 17 Tyr CB . 15316 1 205 . 1 1 18 18 TYR N N 15 120.4 . . . . . . . 17 Tyr N . 15316 1 206 . 1 1 19 19 HIS H H 1 7.87 . . . . . . . 18 His H . 15316 1 207 . 1 1 19 19 HIS HA H 1 4.37 . . . . . . . 18 His HA . 15316 1 208 . 1 1 19 19 HIS HB2 H 1 3.38 . . . . . . . 18 His HB . 15316 1 209 . 1 1 19 19 HIS HB3 H 1 3.38 . . . . . . . 18 His HB . 15316 1 210 . 1 1 19 19 HIS HD2 H 1 7.23 . . . . . . . 18 His Hd2 . 15316 1 211 . 1 1 19 19 HIS HE1 H 1 8.22 . . . . . . . 18 His He1 . 15316 1 212 . 1 1 19 19 HIS C C 13 178.4 . . . . . . . 18 His C . 15316 1 213 . 1 1 19 19 HIS CA C 13 59.1 . . . . . . . 18 His CA . 15316 1 214 . 1 1 19 19 HIS CB C 13 28.3 . . . . . . . 18 His CB . 15316 1 215 . 1 1 19 19 HIS N N 15 117.0 . . . . . . . 18 His N . 15316 1 216 . 1 1 20 20 LEU H H 1 8.60 . . . . . . . 19 Leu H . 15316 1 217 . 1 1 20 20 LEU HA H 1 3.99 . . . . . . . 19 Leu HA . 15316 1 218 . 1 1 20 20 LEU HB2 H 1 1.28 . . . . . . . 19 Leu HB . 15316 1 219 . 1 1 20 20 LEU HB3 H 1 1.28 . . . . . . . 19 Leu HB . 15316 1 220 . 1 1 20 20 LEU HD11 H 1 0.94 . . . . . . . 19 Leu Hd . 15316 1 221 . 1 1 20 20 LEU HD12 H 1 0.94 . . . . . . . 19 Leu Hd . 15316 1 222 . 1 1 20 20 LEU HD13 H 1 0.94 . . . . . . . 19 Leu Hd . 15316 1 223 . 1 1 20 20 LEU HD21 H 1 0.94 . . . . . . . 19 Leu Hd . 15316 1 224 . 1 1 20 20 LEU HD22 H 1 0.94 . . . . . . . 19 Leu Hd . 15316 1 225 . 1 1 20 20 LEU HD23 H 1 0.94 . . . . . . . 19 Leu Hd . 15316 1 226 . 1 1 20 20 LEU HG H 1 2.09 . . . . . . . 19 Leu Hg . 15316 1 227 . 1 1 20 20 LEU C C 13 178.9 . . . . . . . 19 Leu C . 15316 1 228 . 1 1 20 20 LEU CA C 13 57.7 . . . . . . . 19 Leu CA . 15316 1 229 . 1 1 20 20 LEU CB C 13 43.2 . . . . . . . 19 Leu CB . 15316 1 230 . 1 1 20 20 LEU CG C 13 26.3 . . . . . . . 19 Leu Cg . 15316 1 231 . 1 1 20 20 LEU N N 15 121.2 . . . . . . . 19 Leu N . 15316 1 232 . 1 1 21 21 GLU H H 1 8.87 . . . . . . . 20 Glu H . 15316 1 233 . 1 1 21 21 GLU HA H 1 3.86 . . . . . . . 20 Glu HA . 15316 1 234 . 1 1 21 21 GLU HB2 H 1 2.25 . . . . . . . 20 Glu HB . 15316 1 235 . 1 1 21 21 GLU HB3 H 1 2.25 . . . . . . . 20 Glu HB . 15316 1 236 . 1 1 21 21 GLU HG2 H 1 2.49 . . . . . . . 20 Glu Hg2 . 15316 1 237 . 1 1 21 21 GLU HG3 H 1 2.25 . . . . . . . 20 Glu Hg3 . 15316 1 238 . 1 1 21 21 GLU C C 13 180.5 . . . . . . . 20 Glu C . 15316 1 239 . 1 1 21 21 GLU CA C 13 59.6 . . . . . . . 20 Glu CA . 15316 1 240 . 1 1 21 21 GLU CB C 13 28.8 . . . . . . . 20 Glu CB . 15316 1 241 . 1 1 21 21 GLU CG C 13 36.4 . . . . . . . 20 Glu Cg . 15316 1 242 . 1 1 21 21 GLU N N 15 119.8 . . . . . . . 20 Glu N . 15316 1 243 . 1 1 22 22 ASN H H 1 7.76 . . . . . . . 21 Asn H . 15316 1 244 . 1 1 22 22 ASN HA H 1 4.45 . . . . . . . 21 Asn HA . 15316 1 245 . 1 1 22 22 ASN HB2 H 1 2.73 . . . . . . . 21 Asn HB2 . 15316 1 246 . 1 1 22 22 ASN HB3 H 1 2.81 . . . . . . . 21 Asn HB3 . 15316 1 247 . 1 1 22 22 ASN C C 13 178.1 . . . . . . . 21 Asn C . 15316 1 248 . 1 1 22 22 ASN CA C 13 55.4 . . . . . . . 21 Asn CA . 15316 1 249 . 1 1 22 22 ASN CB C 13 37.2 . . . . . . . 21 Asn CB . 15316 1 250 . 1 1 22 22 ASN N N 15 119.2 . . . . . . . 21 Asn N . 15316 1 251 . 1 1 23 23 GLU H H 1 8.02 . . . . . . . 22 Glu H . 15316 1 252 . 1 1 23 23 GLU HA H 1 4.43 . . . . . . . 22 Glu HA . 15316 1 253 . 1 1 23 23 GLU HB2 H 1 2.09 . . . . . . . 22 Glu HB . 15316 1 254 . 1 1 23 23 GLU HB3 H 1 2.09 . . . . . . . 22 Glu HB . 15316 1 255 . 1 1 23 23 GLU HG2 H 1 2.25 . . . . . . . 22 Glu Hg2 . 15316 1 256 . 1 1 23 23 GLU HG3 H 1 2.16 . . . . . . . 22 Glu Hg3 . 15316 1 257 . 1 1 23 23 GLU C C 13 178.3 . . . . . . . 22 Glu C . 15316 1 258 . 1 1 23 23 GLU CA C 13 58.2 . . . . . . . 22 Glu CA . 15316 1 259 . 1 1 23 23 GLU CB C 13 29.7 . . . . . . . 22 Glu CB . 15316 1 260 . 1 1 23 23 GLU CG C 13 36.3 . . . . . . . 22 Glu Cg . 15316 1 261 . 1 1 23 23 GLU N N 15 124.0 . . . . . . . 22 Glu N . 15316 1 262 . 1 1 24 24 VAL H H 1 8.70 . . . . . . . 23 Val H . 15316 1 263 . 1 1 24 24 VAL HA H 1 3.40 . . . . . . . 23 Val HA . 15316 1 264 . 1 1 24 24 VAL HB H 1 2.08 . . . . . . . 23 Val HB . 15316 1 265 . 1 1 24 24 VAL HG11 H 1 1.04 . . . . . . . 23 Val Hg1 . 15316 1 266 . 1 1 24 24 VAL HG12 H 1 1.04 . . . . . . . 23 Val Hg1 . 15316 1 267 . 1 1 24 24 VAL HG13 H 1 1.04 . . . . . . . 23 Val Hg1 . 15316 1 268 . 1 1 24 24 VAL HG21 H 1 0.88 . . . . . . . 23 Val Hg2 . 15316 1 269 . 1 1 24 24 VAL HG22 H 1 0.88 . . . . . . . 23 Val Hg2 . 15316 1 270 . 1 1 24 24 VAL HG23 H 1 0.88 . . . . . . . 23 Val Hg2 . 15316 1 271 . 1 1 24 24 VAL C C 13 177.5 . . . . . . . 23 Val C . 15316 1 272 . 1 1 24 24 VAL CA C 13 67.0 . . . . . . . 23 Val CA . 15316 1 273 . 1 1 24 24 VAL CB C 13 31.1 . . . . . . . 23 Val CB . 15316 1 274 . 1 1 24 24 VAL CG1 C 13 25.0 . . . . . . . 23 Val Cg1 . 15316 1 275 . 1 1 24 24 VAL CG2 C 13 21.0 . . . . . . . 23 Val Cg2 . 15316 1 276 . 1 1 24 24 VAL N N 15 120.3 . . . . . . . 23 Val N . 15316 1 277 . 1 1 25 25 ALA H H 1 7.77 . . . . . . . 24 Ala H . 15316 1 278 . 1 1 25 25 ALA HA H 1 4.04 . . . . . . . 24 Ala HA . 15316 1 279 . 1 1 25 25 ALA HB1 H 1 1.44 . . . . . . . 24 Ala HB . 15316 1 280 . 1 1 25 25 ALA HB2 H 1 1.44 . . . . . . . 24 Ala HB . 15316 1 281 . 1 1 25 25 ALA HB3 H 1 1.44 . . . . . . . 24 Ala HB . 15316 1 282 . 1 1 25 25 ALA C C 13 180.5 . . . . . . . 24 Ala C . 15316 1 283 . 1 1 25 25 ALA CA C 13 54.9 . . . . . . . 24 Ala CA . 15316 1 284 . 1 1 25 25 ALA CB C 13 17.6 . . . . . . . 24 Ala CB . 15316 1 285 . 1 1 25 25 ALA N N 15 120.0 . . . . . . . 24 Ala N . 15316 1 286 . 1 1 26 26 ARG H H 1 7.92 . . . . . . . 25 Arg H . 15316 1 287 . 1 1 26 26 ARG HA H 1 4.00 . . . . . . . 25 Arg HA . 15316 1 288 . 1 1 26 26 ARG HB2 H 1 1.84 . . . . . . . 25 Arg HB . 15316 1 289 . 1 1 26 26 ARG HB3 H 1 1.84 . . . . . . . 25 Arg HB . 15316 1 290 . 1 1 26 26 ARG HD2 H 1 3.42 . . . . . . . 25 Arg Hd2 . 15316 1 291 . 1 1 26 26 ARG HD3 H 1 2.99 . . . . . . . 25 Arg Hd3 . 15316 1 292 . 1 1 26 26 ARG HG2 H 1 2.17 . . . . . . . 25 Arg Hg . 15316 1 293 . 1 1 26 26 ARG HG3 H 1 2.17 . . . . . . . 25 Arg Hg . 15316 1 294 . 1 1 26 26 ARG C C 13 178.5 . . . . . . . 25 Arg C . 15316 1 295 . 1 1 26 26 ARG CA C 13 59.1 . . . . . . . 25 Arg CA . 15316 1 296 . 1 1 26 26 ARG CB C 13 30.2 . . . . . . . 25 Arg CB . 15316 1 297 . 1 1 26 26 ARG CD C 13 42.4 . . . . . . . 25 Arg Cd . 15316 1 298 . 1 1 26 26 ARG CG C 13 26.8 . . . . . . . 25 Arg Cg . 15316 1 299 . 1 1 26 26 ARG N N 15 119.9 . . . . . . . 25 Arg N . 15316 1 300 . 1 1 27 27 LEU H H 1 8.45 . . . . . . . 26 Leu H . 15316 1 301 . 1 1 27 27 LEU HA H 1 3.94 . . . . . . . 26 Leu HA . 15316 1 302 . 1 1 27 27 LEU HB2 H 1 1.92 . . . . . . . 26 Leu HB2 . 15316 1 303 . 1 1 27 27 LEU HB3 H 1 1.28 . . . . . . . 26 Leu HB3 . 15316 1 304 . 1 1 27 27 LEU HD11 H 1 0.87 . . . . . . . 26 Leu Hd . 15316 1 305 . 1 1 27 27 LEU HD12 H 1 0.87 . . . . . . . 26 Leu Hd . 15316 1 306 . 1 1 27 27 LEU HD13 H 1 0.87 . . . . . . . 26 Leu Hd . 15316 1 307 . 1 1 27 27 LEU HD21 H 1 0.87 . . . . . . . 26 Leu Hd . 15316 1 308 . 1 1 27 27 LEU HD22 H 1 0.87 . . . . . . . 26 Leu Hd . 15316 1 309 . 1 1 27 27 LEU HD23 H 1 0.87 . . . . . . . 26 Leu Hd . 15316 1 310 . 1 1 27 27 LEU C C 13 179.2 . . . . . . . 26 Leu C . 15316 1 311 . 1 1 27 27 LEU CA C 13 57.7 . . . . . . . 26 Leu CA . 15316 1 312 . 1 1 27 27 LEU CB C 13 43.7 . . . . . . . 26 Leu CB . 15316 1 313 . 1 1 27 27 LEU CD1 C 13 23.1 . . . . . . . 26 Leu Cd . 15316 1 314 . 1 1 27 27 LEU CD2 C 13 23.1 . . . . . . . 26 Leu Cd . 15316 1 315 . 1 1 27 27 LEU CG C 13 27.3 . . . . . . . 26 Leu Cg . 15316 1 316 . 1 1 27 27 LEU N N 15 120.6 . . . . . . . 26 Leu N . 15316 1 317 . 1 1 28 28 LYS H H 1 9.02 . . . . . . . 27 Lys H . 15316 1 318 . 1 1 28 28 LYS HA H 1 3.78 . . . . . . . 27 Lys HA . 15316 1 319 . 1 1 28 28 LYS HB2 H 1 1.76 . . . . . . . 27 Lys HB2 . 15316 1 320 . 1 1 28 28 LYS HB3 H 1 1.28 . . . . . . . 27 Lys HB3 . 15316 1 321 . 1 1 28 28 LYS HE2 H 1 2.89 . . . . . . . 27 Lys He . 15316 1 322 . 1 1 28 28 LYS HE3 H 1 2.89 . . . . . . . 27 Lys He . 15316 1 323 . 1 1 28 28 LYS HG2 H 1 1.60 . . . . . . . 27 Lys Hg . 15316 1 324 . 1 1 28 28 LYS HG3 H 1 1.60 . . . . . . . 27 Lys Hg . 15316 1 325 . 1 1 28 28 LYS C C 13 179.5 . . . . . . . 27 Lys C . 15316 1 326 . 1 1 28 28 LYS CA C 13 60.5 . . . . . . . 27 Lys CA . 15316 1 327 . 1 1 28 28 LYS CB C 13 32.1 . . . . . . . 27 Lys CB . 15316 1 328 . 1 1 28 28 LYS CD C 13 29.2 . . . . . . . 27 Lys Cd . 15316 1 329 . 1 1 28 28 LYS CE C 13 41.4 . . . . . . . 27 Lys Ce . 15316 1 330 . 1 1 28 28 LYS CG C 13 27.1 . . . . . . . 27 Lys Cg . 15316 1 331 . 1 1 28 28 LYS N N 15 118.8 . . . . . . . 27 Lys N . 15316 1 332 . 1 1 29 29 LYS H H 1 7.30 . . . . . . . 28 Lys H . 15316 1 333 . 1 1 29 29 LYS HA H 1 4.11 . . . . . . . 28 Lys HA . 15316 1 334 . 1 1 29 29 LYS HB2 H 1 1.92 . . . . . . . 28 Lys HB2 . 15316 1 335 . 1 1 29 29 LYS HB3 H 1 1.68 . . . . . . . 28 Lys HB3 . 15316 1 336 . 1 1 29 29 LYS HE2 H 1 3.01 . . . . . . . 28 Lys He . 15316 1 337 . 1 1 29 29 LYS HE3 H 1 3.01 . . . . . . . 28 Lys He . 15316 1 338 . 1 1 29 29 LYS HG2 H 1 1.52 . . . . . . . 28 Lys Hg . 15316 1 339 . 1 1 29 29 LYS HG3 H 1 1.52 . . . . . . . 28 Lys Hg . 15316 1 340 . 1 1 29 29 LYS C C 13 179.3 . . . . . . . 28 Lys C . 15316 1 341 . 1 1 29 29 LYS CA C 13 58.2 . . . . . . . 28 Lys CA . 15316 1 342 . 1 1 29 29 LYS CB C 13 32.1 . . . . . . . 28 Lys CB . 15316 1 343 . 1 1 29 29 LYS CD C 13 28.4 . . . . . . . 28 Lys Cd . 15316 1 344 . 1 1 29 29 LYS CE C 13 41.2 . . . . . . . 28 Lys Ce . 15316 1 345 . 1 1 29 29 LYS CG C 13 24.7 . . . . . . . 28 Lys Cg . 15316 1 346 . 1 1 29 29 LYS N N 15 117.1 . . . . . . . 28 Lys N . 15316 1 347 . 1 1 30 30 LEU H H 1 7.42 . . . . . . . 29 Leu H . 15316 1 348 . 1 1 30 30 LEU HA H 1 4.18 . . . . . . . 29 Leu HA . 15316 1 349 . 1 1 30 30 LEU HB2 H 1 1.60 . . . . . . . 29 Leu HB . 15316 1 350 . 1 1 30 30 LEU HB3 H 1 1.60 . . . . . . . 29 Leu HB . 15316 1 351 . 1 1 30 30 LEU HD11 H 1 0.96 . . . . . . . 29 Leu Hd . 15316 1 352 . 1 1 30 30 LEU HD12 H 1 0.96 . . . . . . . 29 Leu Hd . 15316 1 353 . 1 1 30 30 LEU HD13 H 1 0.96 . . . . . . . 29 Leu Hd . 15316 1 354 . 1 1 30 30 LEU HD21 H 1 0.96 . . . . . . . 29 Leu Hd . 15316 1 355 . 1 1 30 30 LEU HD22 H 1 0.96 . . . . . . . 29 Leu Hd . 15316 1 356 . 1 1 30 30 LEU HD23 H 1 0.96 . . . . . . . 29 Leu Hd . 15316 1 357 . 1 1 30 30 LEU HG H 1 2.09 . . . . . . . 29 Leu Hg . 15316 1 358 . 1 1 30 30 LEU C C 13 179.1 . . . . . . . 29 Leu C . 15316 1 359 . 1 1 30 30 LEU CA C 13 56.8 . . . . . . . 29 Leu CA . 15316 1 360 . 1 1 30 30 LEU CB C 13 42.3 . . . . . . . 29 Leu CB . 15316 1 361 . 1 1 30 30 LEU CD1 C 13 22.3 . . . . . . . 29 Leu Cd . 15316 1 362 . 1 1 30 30 LEU CD2 C 13 22.3 . . . . . . . 29 Leu Cd . 15316 1 363 . 1 1 30 30 LEU CG C 13 25.0 . . . . . . . 29 Leu Cg . 15316 1 364 . 1 1 30 30 LEU N N 15 118.8 . . . . . . . 29 Leu N . 15316 1 365 . 1 1 31 31 VAL H H 1 7.67 . . . . . . . 30 Val H . 15316 1 366 . 1 1 31 31 VAL HA H 1 4.11 . . . . . . . 30 Val HA . 15316 1 367 . 1 1 31 31 VAL HB H 1 2.17 . . . . . . . 30 Val HB . 15316 1 368 . 1 1 31 31 VAL HG11 H 1 0.96 . . . . . . . 30 Val Hg . 15316 1 369 . 1 1 31 31 VAL HG12 H 1 0.96 . . . . . . . 30 Val Hg . 15316 1 370 . 1 1 31 31 VAL HG13 H 1 0.96 . . . . . . . 30 Val Hg . 15316 1 371 . 1 1 31 31 VAL HG21 H 1 0.96 . . . . . . . 30 Val Hg . 15316 1 372 . 1 1 31 31 VAL HG22 H 1 0.96 . . . . . . . 30 Val Hg . 15316 1 373 . 1 1 31 31 VAL HG23 H 1 0.96 . . . . . . . 30 Val Hg . 15316 1 374 . 1 1 31 31 VAL C C 13 176.5 . . . . . . . 30 Val C . 15316 1 375 . 1 1 31 31 VAL CA C 13 61.9 . . . . . . . 30 Val CA . 15316 1 376 . 1 1 31 31 VAL CB C 13 32.1 . . . . . . . 30 Val CB . 15316 1 377 . 1 1 31 31 VAL CG1 C 13 21.2 . . . . . . . 30 Val Cg1 . 15316 1 378 . 1 1 31 31 VAL CG2 C 13 21.2 . . . . . . . 30 Val Cg2 . 15316 1 379 . 1 1 31 31 VAL N N 15 113.4 . . . . . . . 30 Val N . 15316 1 380 . 1 1 32 32 GLY H H 1 7.87 . . . . . . . 31 Gly H . 15316 1 381 . 1 1 32 32 GLY HA2 H 1 4.11 . . . . . . . 31 Gly HA2 . 15316 1 382 . 1 1 32 32 GLY HA3 H 1 3.86 . . . . . . . 31 Gly HA3 . 15316 1 383 . 1 1 32 32 GLY C C 13 174.4 . . . . . . . 31 Gly C . 15316 1 384 . 1 1 32 32 GLY CA C 13 45.6 . . . . . . . 31 Gly CA . 15316 1 385 . 1 1 32 32 GLY N N 15 109.8 . . . . . . . 31 Gly N . 15316 1 386 . 1 1 33 33 GLU H H 1 7.83 . . . . . . . 32 Glu H . 15316 1 387 . 1 1 33 33 GLU HA H 1 4.21 . . . . . . . 32 Glu HA . 15316 1 388 . 1 1 33 33 GLU HG2 H 1 2.33 . . . . . . . 32 Glu Hg2 . 15316 1 389 . 1 1 33 33 GLU HG3 H 1 2.12 . . . . . . . 32 Glu Hg3 . 15316 1 390 . 1 1 33 33 GLU CA C 13 57.2 . . . . . . . 32 Glu CA . 15316 1 391 . 1 1 33 33 GLU CB C 13 21.6 . . . . . . . 32 Glu CB . 15316 1 392 . 1 1 33 33 GLU CG C 13 35.5 . . . . . . . 32 Glu Cg . 15316 1 393 . 1 1 33 33 GLU N N 15 125.7 . . . . . . . 32 Glu N . 15316 1 stop_ save_