data_5180 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5180 _Entry.Title ; Solution nmr structure of the dimerization domain of the yeast transcriptional activator Gal4 (residues 50-106) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-10-16 _Entry.Accession_date 2001-10-16 _Entry.Last_release_date 2001-11-12 _Entry.Original_release_date 2001-11-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 P. Hidalgo . . . 5180 2 A. Ansari . Z. . 5180 3 P. Schmidt . . . 5180 4 B. Hare . . . 5180 5 N. Simkovic . . . 5180 6 S. Farrell . . . 5180 7 E. Shin . J. . 5180 8 M. Ptashne . . . 5180 9 G. Wagner . . . 5180 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5180 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 34 5180 '15N chemical shifts' 39 5180 '1H chemical shifts' 150 5180 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 . . 2001-11-12 2001-10-16 original author . 5180 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1HBW 'BMRB Entry Tracking System' 5180 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5180 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11316794 _Citation.Full_citation . _Citation.Title ; Recruitment of the transcriptional machinery through GAL11P:structure and interactions of the GAL4 dimerization domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Dev.' _Citation.Journal_name_full 'Genes & Development' _Citation.Journal_volume 15 _Citation.Journal_issue 8 _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 1007 _Citation.Page_last 1020 _Citation.Year 2001 _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 Patricia Hidalgo . . . 5180 1 2 A. Ansari . Z. . 5180 1 3 P. Schmidt . . . 5180 1 4 B. Hare . . . 5180 1 5 N. Simkovic . . . 5180 1 6 S. Farrell . . . 5180 1 7 E. Shin . J. . 5180 1 8 M. Ptashne . . . 5180 1 9 G. Wagner . . . 5180 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'coiled-coil homodimer' 5180 1 'dimerization domain' 5180 1 'galactose and melibiose metabolism' 5180 1 'Transcriptional activator' 5180 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GAL4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GAL4 _Assembly.Entry_ID 5180 _Assembly.ID 1 _Assembly.Name 'GAL4 dimerization domain' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5180 1 stop_ 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 'Gal4 subunit A, monomer' 1 $GAL4 . . . native . . 1 . . 5180 1 2 'Gal4 subunit B, monomer' 1 $GAL4 . . . native . . 1 . . 5180 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1HBW . . . . . . 5180 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID GAL4 abbreviation 5180 1 'GAL4 dimerization domain' system 5180 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcriptional activation' 5180 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GAL4 _Entity.Sf_category entity _Entity.Sf_framecode GAL4 _Entity.Entry_ID 5180 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'GAL4 dimerization domain' _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 ; TRAHLTEVESRLERLEQLFL LIFPREDLDMILKMDSLRDI EALLTGLFVQDNVNKDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6812 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The sequence contains heptad repeats common to coiled-coil dimerization domains' _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 PDB 1HBW . "Solution Nmr Structure Of The Dimerization Domain Of The Yeast Transcriptional Activator Gal4 (Residues 50-106)" . . . . . 100.00 57 100.00 100.00 2.43e-30 . . . . 5180 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GAL4 abbreviation 5180 1 'GAL4 dimerization domain' common 5180 1 'Q87R, K90E' variant 5180 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 50 THR . 5180 1 2 51 ARG . 5180 1 3 52 ALA . 5180 1 4 53 HIS . 5180 1 5 54 LEU . 5180 1 6 55 THR . 5180 1 7 56 GLU . 5180 1 8 57 VAL . 5180 1 9 58 GLU . 5180 1 10 59 SER . 5180 1 11 60 ARG . 5180 1 12 61 LEU . 5180 1 13 62 GLU . 5180 1 14 63 ARG . 5180 1 15 64 LEU . 5180 1 16 65 GLU . 5180 1 17 66 GLN . 5180 1 18 67 LEU . 5180 1 19 68 PHE . 5180 1 20 69 LEU . 5180 1 21 70 LEU . 5180 1 22 71 ILE . 5180 1 23 72 PHE . 5180 1 24 73 PRO . 5180 1 25 74 ARG . 5180 1 26 75 GLU . 5180 1 27 76 ASP . 5180 1 28 77 LEU . 5180 1 29 78 ASP . 5180 1 30 79 MET . 5180 1 31 80 ILE . 5180 1 32 81 LEU . 5180 1 33 82 LYS . 5180 1 34 83 MET . 5180 1 35 84 ASP . 5180 1 36 85 SER . 5180 1 37 86 LEU . 5180 1 38 87 ARG . 5180 1 39 88 ASP . 5180 1 40 89 ILE . 5180 1 41 90 GLU . 5180 1 42 91 ALA . 5180 1 43 92 LEU . 5180 1 44 93 LEU . 5180 1 45 94 THR . 5180 1 46 95 GLY . 5180 1 47 96 LEU . 5180 1 48 97 PHE . 5180 1 49 98 VAL . 5180 1 50 99 GLN . 5180 1 51 100 ASP . 5180 1 52 101 ASN . 5180 1 53 102 VAL . 5180 1 54 103 ASN . 5180 1 55 104 LYS . 5180 1 56 105 ASP . 5180 1 57 106 ALA . 5180 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 . THR 1 1 5180 1 . ARG 2 2 5180 1 . ALA 3 3 5180 1 . HIS 4 4 5180 1 . LEU 5 5 5180 1 . THR 6 6 5180 1 . GLU 7 7 5180 1 . VAL 8 8 5180 1 . GLU 9 9 5180 1 . SER 10 10 5180 1 . ARG 11 11 5180 1 . LEU 12 12 5180 1 . GLU 13 13 5180 1 . ARG 14 14 5180 1 . LEU 15 15 5180 1 . GLU 16 16 5180 1 . GLN 17 17 5180 1 . LEU 18 18 5180 1 . PHE 19 19 5180 1 . LEU 20 20 5180 1 . LEU 21 21 5180 1 . ILE 22 22 5180 1 . PHE 23 23 5180 1 . PRO 24 24 5180 1 . ARG 25 25 5180 1 . GLU 26 26 5180 1 . ASP 27 27 5180 1 . LEU 28 28 5180 1 . ASP 29 29 5180 1 . MET 30 30 5180 1 . ILE 31 31 5180 1 . LEU 32 32 5180 1 . LYS 33 33 5180 1 . MET 34 34 5180 1 . ASP 35 35 5180 1 . SER 36 36 5180 1 . LEU 37 37 5180 1 . ARG 38 38 5180 1 . ASP 39 39 5180 1 . ILE 40 40 5180 1 . GLU 41 41 5180 1 . ALA 42 42 5180 1 . LEU 43 43 5180 1 . LEU 44 44 5180 1 . THR 45 45 5180 1 . GLY 46 46 5180 1 . LEU 47 47 5180 1 . PHE 48 48 5180 1 . VAL 49 49 5180 1 . GLN 50 50 5180 1 . ASP 51 51 5180 1 . ASN 52 52 5180 1 . VAL 53 53 5180 1 . ASN 54 54 5180 1 . LYS 55 55 5180 1 . ASP 56 56 5180 1 . ALA 57 57 5180 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 5180 _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 $GAL4 . 4932 . . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5180 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 5180 _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 $GAL4 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL-21 (DE3) pLysS' . . . . . . . . . . . . . . . . . . . . . . 5180 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_gal4_sample1 _Sample.Sf_category sample _Sample.Sf_framecode gal4_sample1 _Sample.Entry_ID 5180 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Dimer concentration is 0.5 - 1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'GAL4 dimerization domain' . . . 1 $GAL4 . . . 1 2.0 mM . . . . 5180 1 stop_ save_ save_gal4_sample2 _Sample.Sf_category sample _Sample.Sf_framecode gal4_sample2 _Sample.Entry_ID 5180 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Dimer concentration is 0.5 - 1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'GAL4 dimerization domain' '[U-15N; U-2H]' . . 1 $GAL4 . . . 1.0 2.0 mM . . . . 5180 2 stop_ save_ save_gal4_sample3 _Sample.Sf_category sample _Sample.Sf_framecode gal4_sample3 _Sample.Entry_ID 5180 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Dimer concentration is 0.5 - 1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'GAL4 dimerization domain' [U-15N] . . 1 $GAL4 . . . 1.0 2.0 mM . . . . 5180 3 stop_ save_ save_gal4_sample4 _Sample.Sf_category sample _Sample.Sf_framecode gal4_sample4 _Sample.Entry_ID 5180 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Dimer concentration is 0.5 - 1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'GAL4 dimerization domain' '[U-15N; U-13C]' . . 1 $GAL4 . . . 1.0 2.0 mM . . . . 5180 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5180 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 5180 1 pH 7.4 0.2 n/a 5180 1 temperature 308 1 K 5180 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5180 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 5180 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5180 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignments 5180 2 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 5180 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Visual inspection of structures' 5180 3 stop_ save_ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID 5180 _Software.ID 4 _Software.Name InsightII _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Visual inspection of structures' 5180 4 stop_ save_ save_PROCHECK _Software.Sf_category software _Software.Sf_framecode PROCHECK _Software.Entry_ID 5180 _Software.ID 5 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Assesment quality of structures' 5180 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5180 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5180 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 5180 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer4 _NMR_spectrometer.Entry_ID 5180 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer5 _NMR_spectrometer.Entry_ID 5180 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5180 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Varian UnityPlus . 400 . . . 5180 1 2 NMR_spectrometer2 Varian Unity . 500 . . . 5180 1 3 NMR_spectrometer3 Varian INOVA . 500 . . . 5180 1 4 NMR_spectrometer4 Varian UnityPlus . 750 . . . 5180 1 5 NMR_spectrometer5 Bruker AMX . 500 . . . 5180 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 5180 _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 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 3 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 4 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 5 '3D 13C-1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 6 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 7 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 8 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 9 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5180 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 13C-1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5180 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 5180 _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 H 1 TMS 'methyl protons' . . . . ppm 0.00 external direct 1 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 5180 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5180 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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 $gal4_sample1 . 5180 1 . . 2 $gal4_sample2 . 5180 1 . . 3 $gal4_sample3 . 5180 1 . . 4 $gal4_sample4 . 5180 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 5 5 LEU CA C 13 51.43 . . . . . . . . . . . 5180 1 2 . 1 1 6 6 THR N N 15 113.89 . . . . . . . . . . . 5180 1 3 . 1 1 6 6 THR H H 1 8.21 . . . . . . . . . . . 5180 1 4 . 1 1 6 6 THR HA H 1 4.28 . . . . . . . . . . . 5180 1 5 . 1 1 6 6 THR CA C 13 58.49 . . . . . . . . . . . 5180 1 6 . 1 1 7 7 GLU CA C 13 54.74 . . . . . . . . . . . 5180 1 7 . 1 1 8 8 VAL N N 15 119.62 . . . . . . . . . . . 5180 1 8 . 1 1 8 8 VAL H H 1 7.89 . . . . . . . . . . . 5180 1 9 . 1 1 8 8 VAL HA H 1 3.67 . . . . . . . . . . . 5180 1 10 . 1 1 8 8 VAL HB H 1 2.02 . . . . . . . . . . . 5180 1 11 . 1 1 8 8 VAL CA C 13 61.48 . . . . . . . . . . . 5180 1 12 . 1 1 9 9 GLU N N 15 119.81 . . . . . . . . . . . 5180 1 13 . 1 1 9 9 GLU H H 1 8.00 . . . . . . . . . . . 5180 1 14 . 1 1 9 9 GLU HA H 1 3.83 . . . . . . . . . . . 5180 1 15 . 1 1 9 9 GLU HB2 H 1 2.13 . . . . . . . . . . . 5180 1 16 . 1 1 9 9 GLU HB3 H 1 2.01 . . . . . . . . . . . 5180 1 17 . 1 1 9 9 GLU CA C 13 55.51 . . . . . . . . . . . 5180 1 18 . 1 1 10 10 SER N N 15 116.11 . . . . . . . . . . . 5180 1 19 . 1 1 10 10 SER H H 1 8.19 . . . . . . . . . . . 5180 1 20 . 1 1 10 10 SER HA H 1 4.23 . . . . . . . . . . . 5180 1 21 . 1 1 10 10 SER HB2 H 1 3.90 . . . . . . . . . . . 5180 1 22 . 1 1 10 10 SER HB3 H 1 3.90 . . . . . . . . . . . 5180 1 23 . 1 1 10 10 SER CA C 13 56.78 . . . . . . . . . . . 5180 1 24 . 1 1 11 11 ARG N N 15 124.43 . . . . . . . . . . . 5180 1 25 . 1 1 11 11 ARG H H 1 7.99 . . . . . . . . . . . 5180 1 26 . 1 1 11 11 ARG HA H 1 3.95 . . . . . . . . . . . 5180 1 27 . 1 1 11 11 ARG HB2 H 1 1.85 . . . . . . . . . . . 5180 1 28 . 1 1 11 11 ARG HB3 H 1 1.85 . . . . . . . . . . . 5180 1 29 . 1 1 11 11 ARG CA C 13 55.47 . . . . . . . . . . . 5180 1 30 . 1 1 12 12 LEU N N 15 119.62 . . . . . . . . . . . 5180 1 31 . 1 1 12 12 LEU H H 1 8.20 . . . . . . . . . . . 5180 1 32 . 1 1 12 12 LEU HA H 1 3.99 . . . . . . . . . . . 5180 1 33 . 1 1 12 12 LEU HB2 H 1 1.96 . . . . . . . . . . . 5180 1 34 . 1 1 12 12 LEU HB3 H 1 1.50 . . . . . . . . . . . 5180 1 35 . 1 1 12 12 LEU CA C 13 54.12 . . . . . . . . . . . 5180 1 36 . 1 1 13 13 GLU N N 15 118.88 . . . . . . . . . . . 5180 1 37 . 1 1 13 13 GLU H H 1 7.97 . . . . . . . . . . . 5180 1 38 . 1 1 13 13 GLU HA H 1 4.06 . . . . . . . . . . . 5180 1 39 . 1 1 13 13 GLU HB2 H 1 2.12 . . . . . . . . . . . 5180 1 40 . 1 1 13 13 GLU HB3 H 1 2.12 . . . . . . . . . . . 5180 1 41 . 1 1 13 13 GLU CA C 13 55.27 . . . . . . . . . . . 5180 1 42 . 1 1 14 14 ARG N N 15 118.70 . . . . . . . . . . . 5180 1 43 . 1 1 14 14 ARG H H 1 7.70 . . . . . . . . . . . 5180 1 44 . 1 1 14 14 ARG HA H 1 4.10 . . . . . . . . . . . 5180 1 45 . 1 1 14 14 ARG HB2 H 1 1.97 . . . . . . . . . . . 5180 1 46 . 1 1 14 14 ARG HB3 H 1 1.85 . . . . . . . . . . . 5180 1 47 . 1 1 14 14 ARG CA C 13 54.09 . . . . . . . . . . . 5180 1 48 . 1 1 15 15 LEU N N 15 120.73 . . . . . . . . . . . 5180 1 49 . 1 1 15 15 LEU H H 1 8.25 . . . . . . . . . . . 5180 1 50 . 1 1 15 15 LEU HA H 1 4.04 . . . . . . . . . . . 5180 1 51 . 1 1 15 15 LEU HB2 H 1 2.02 . . . . . . . . . . . 5180 1 52 . 1 1 15 15 LEU HB3 H 1 1.60 . . . . . . . . . . . 5180 1 53 . 1 1 15 15 LEU CA C 13 53.54 . . . . . . . . . . . 5180 1 54 . 1 1 16 16 GLU N N 15 120.92 . . . . . . . . . . . 5180 1 55 . 1 1 16 16 GLU H H 1 8.90 . . . . . . . . . . . 5180 1 56 . 1 1 16 16 GLU HA H 1 3.92 . . . . . . . . . . . 5180 1 57 . 1 1 16 16 GLU HB2 H 1 2.25 . . . . . . . . . . . 5180 1 58 . 1 1 16 16 GLU HB3 H 1 1.98 . . . . . . . . . . . 5180 1 59 . 1 1 16 16 GLU CA C 13 56.70 . . . . . . . . . . . 5180 1 60 . 1 1 17 17 GLN N N 15 117.59 . . . . . . . . . . . 5180 1 61 . 1 1 17 17 GLN H H 1 8.02 . . . . . . . . . . . 5180 1 62 . 1 1 17 17 GLN HA H 1 3.95 . . . . . . . . . . . 5180 1 63 . 1 1 19 19 PHE N N 15 118.51 . . . . . . . . . . . 5180 1 64 . 1 1 19 19 PHE H H 1 8.42 . . . . . . . . . . . 5180 1 65 . 1 1 19 19 PHE HA H 1 4.31 . . . . . . . . . . . 5180 1 66 . 1 1 21 21 LEU N N 15 118.51 . . . . . . . . . . . 5180 1 67 . 1 1 21 21 LEU H H 1 7.58 . . . . . . . . . . . 5180 1 68 . 1 1 21 21 LEU HA H 1 4.20 . . . . . . . . . . . 5180 1 69 . 1 1 21 21 LEU HB2 H 1 1.99 . . . . . . . . . . . 5180 1 70 . 1 1 21 21 LEU HB3 H 1 1.52 . . . . . . . . . . . 5180 1 71 . 1 1 21 21 LEU HG H 1 1.75 . . . . . . . . . . . 5180 1 72 . 1 1 21 21 LEU CA C 13 52.46 . . . . . . . . . . . 5180 1 73 . 1 1 22 22 ILE N N 15 116.29 . . . . . . . . . . . 5180 1 74 . 1 1 22 22 ILE H H 1 7.47 . . . . . . . . . . . 5180 1 75 . 1 1 22 22 ILE HA H 1 3.83 . . . . . . . . . . . 5180 1 76 . 1 1 22 22 ILE HB H 1 1.44 . . . . . . . . . . . 5180 1 77 . 1 1 22 22 ILE CA C 13 58.39 . . . . . . . . . . . 5180 1 78 . 1 1 23 23 PHE N N 15 119.25 . . . . . . . . . . . 5180 1 79 . 1 1 23 23 PHE H H 1 8.44 . . . . . . . . . . . 5180 1 80 . 1 1 23 23 PHE HA H 1 5.09 . . . . . . . . . . . 5180 1 81 . 1 1 23 23 PHE HB2 H 1 2.77 . . . . . . . . . . . 5180 1 82 . 1 1 23 23 PHE HB3 H 1 2.77 . . . . . . . . . . . 5180 1 83 . 1 1 23 23 PHE CA C 13 50.19 . . . . . . . . . . . 5180 1 84 . 1 1 29 29 ASP N N 15 117.40 . . . . . . . . . . . 5180 1 85 . 1 1 29 29 ASP H H 1 8.10 . . . . . . . . . . . 5180 1 86 . 1 1 29 29 ASP HA H 1 4.18 . . . . . . . . . . . 5180 1 87 . 1 1 30 30 MET N N 15 118.70 . . . . . . . . . . . 5180 1 88 . 1 1 30 30 MET H H 1 7.36 . . . . . . . . . . . 5180 1 89 . 1 1 30 30 MET HA H 1 4.04 . . . . . . . . . . . 5180 1 90 . 1 1 30 30 MET HB2 H 1 2.15 . . . . . . . . . . . 5180 1 91 . 1 1 30 30 MET HB3 H 1 2.15 . . . . . . . . . . . 5180 1 92 . 1 1 31 31 ILE N N 15 121.84 . . . . . . . . . . . 5180 1 93 . 1 1 31 31 ILE H H 1 7.82 . . . . . . . . . . . 5180 1 94 . 1 1 31 31 ILE HA H 1 3.66 . . . . . . . . . . . 5180 1 95 . 1 1 31 31 ILE HB H 1 1.75 . . . . . . . . . . . 5180 1 96 . 1 1 32 32 LEU N N 15 117.96 . . . . . . . . . . . 5180 1 97 . 1 1 32 32 LEU H H 1 8.00 . . . . . . . . . . . 5180 1 98 . 1 1 32 32 LEU HA H 1 4.02 . . . . . . . . . . . 5180 1 99 . 1 1 32 32 LEU HB2 H 1 1.79 . . . . . . . . . . . 5180 1 100 . 1 1 32 32 LEU HB3 H 1 1.48 . . . . . . . . . . . 5180 1 101 . 1 1 33 33 LYS N N 15 117.77 . . . . . . . . . . . 5180 1 102 . 1 1 33 33 LYS H H 1 7.25 . . . . . . . . . . . 5180 1 103 . 1 1 33 33 LYS HA H 1 4.21 . . . . . . . . . . . 5180 1 104 . 1 1 33 33 LYS HB2 H 1 1.91 . . . . . . . . . . . 5180 1 105 . 1 1 33 33 LYS HB3 H 1 1.74 . . . . . . . . . . . 5180 1 106 . 1 1 33 33 LYS HG2 H 1 1.50 . . . . . . . . . . . 5180 1 107 . 1 1 33 33 LYS HG3 H 1 1.50 . . . . . . . . . . . 5180 1 108 . 1 1 34 34 MET N N 15 120.73 . . . . . . . . . . . 5180 1 109 . 1 1 34 34 MET H H 1 7.42 . . . . . . . . . . . 5180 1 110 . 1 1 34 34 MET HA H 1 4.21 . . . . . . . . . . . 5180 1 111 . 1 1 34 34 MET HB2 H 1 2.07 . . . . . . . . . . . 5180 1 112 . 1 1 34 34 MET HB3 H 1 2.07 . . . . . . . . . . . 5180 1 113 . 1 1 35 35 ASP CA C 13 51.29 . . . . . . . . . . . 5180 1 114 . 1 1 36 36 SER N N 15 112.59 . . . . . . . . . . . 5180 1 115 . 1 1 36 36 SER H H 1 7.74 . . . . . . . . . . . 5180 1 116 . 1 1 36 36 SER HA H 1 4.50 . . . . . . . . . . . 5180 1 117 . 1 1 36 36 SER HB2 H 1 3.86 . . . . . . . . . . . 5180 1 118 . 1 1 36 36 SER HB3 H 1 3.82 . . . . . . . . . . . 5180 1 119 . 1 1 36 36 SER CA C 13 51.94 . . . . . . . . . . . 5180 1 120 . 1 1 37 37 LEU N N 15 122.22 . . . . . . . . . . . 5180 1 121 . 1 1 37 37 LEU H H 1 8.24 . . . . . . . . . . . 5180 1 122 . 1 1 37 37 LEU CA C 13 50.06 . . . . . . . . . . . 5180 1 123 . 1 1 38 38 ARG N N 15 119.44 . . . . . . . . . . . 5180 1 124 . 1 1 38 38 ARG H H 1 8.00 . . . . . . . . . . . 5180 1 125 . 1 1 38 38 ARG CA C 13 54.12 . . . . . . . . . . . 5180 1 126 . 1 1 39 39 ASP N N 15 120.18 . . . . . . . . . . . 5180 1 127 . 1 1 39 39 ASP H H 1 7.65 . . . . . . . . . . . 5180 1 128 . 1 1 39 39 ASP HB2 H 1 2.74 . . . . . . . . . . . 5180 1 129 . 1 1 39 39 ASP HB3 H 1 2.74 . . . . . . . . . . . 5180 1 130 . 1 1 39 39 ASP CA C 13 52.06 . . . . . . . . . . . 5180 1 131 . 1 1 40 40 ILE N N 15 121.29 . . . . . . . . . . . 5180 1 132 . 1 1 40 40 ILE H H 1 7.62 . . . . . . . . . . . 5180 1 133 . 1 1 40 40 ILE HA H 1 3.67 . . . . . . . . . . . 5180 1 134 . 1 1 40 40 ILE HB H 1 1.91 . . . . . . . . . . . 5180 1 135 . 1 1 40 40 ILE CA C 13 59.76 . . . . . . . . . . . 5180 1 136 . 1 1 41 41 GLU N N 15 121.10 . . . . . . . . . . . 5180 1 137 . 1 1 41 41 GLU H H 1 8.39 . . . . . . . . . . . 5180 1 138 . 1 1 41 41 GLU HA H 1 3.73 . . . . . . . . . . . 5180 1 139 . 1 1 41 41 GLU HB2 H 1 2.07 . . . . . . . . . . . 5180 1 140 . 1 1 41 41 GLU HB3 H 1 2.07 . . . . . . . . . . . 5180 1 141 . 1 1 41 41 GLU CA C 13 55.78 . . . . . . . . . . . 5180 1 142 . 1 1 42 42 ALA N N 15 121.29 . . . . . . . . . . . 5180 1 143 . 1 1 42 42 ALA H H 1 7.76 . . . . . . . . . . . 5180 1 144 . 1 1 42 42 ALA HA H 1 4.10 . . . . . . . . . . . 5180 1 145 . 1 1 42 42 ALA HB1 H 1 1.46 . . . . . . . . . . . 5180 1 146 . 1 1 42 42 ALA HB2 H 1 1.46 . . . . . . . . . . . 5180 1 147 . 1 1 42 42 ALA HB3 H 1 1.46 . . . . . . . . . . . 5180 1 148 . 1 1 42 42 ALA CA C 13 50.28 . . . . . . . . . . . 5180 1 149 . 1 1 43 43 LEU N N 15 120.18 . . . . . . . . . . . 5180 1 150 . 1 1 43 43 LEU H H 1 7.57 . . . . . . . . . . . 5180 1 151 . 1 1 43 43 LEU HA H 1 4.10 . . . . . . . . . . . 5180 1 152 . 1 1 43 43 LEU HB2 H 1 1.71 . . . . . . . . . . . 5180 1 153 . 1 1 43 43 LEU HB3 H 1 1.71 . . . . . . . . . . . 5180 1 154 . 1 1 43 43 LEU CA C 13 52.87 . . . . . . . . . . . 5180 1 155 . 1 1 44 44 LEU N N 15 118.33 . . . . . . . . . . . 5180 1 156 . 1 1 44 44 LEU H H 1 7.99 . . . . . . . . . . . 5180 1 157 . 1 1 44 44 LEU HA H 1 4.03 . . . . . . . . . . . 5180 1 158 . 1 1 44 44 LEU HB2 H 1 1.81 . . . . . . . . . . . 5180 1 159 . 1 1 44 44 LEU HB3 H 1 1.50 . . . . . . . . . . . 5180 1 160 . 1 1 44 44 LEU CA C 13 52.40 . . . . . . . . . . . 5180 1 161 . 1 1 45 45 THR N N 15 112.78 . . . . . . . . . . . 5180 1 162 . 1 1 45 45 THR H H 1 7.89 . . . . . . . . . . . 5180 1 163 . 1 1 45 45 THR HA H 1 4.24 . . . . . . . . . . . 5180 1 164 . 1 1 45 45 THR HB H 1 4.05 . . . . . . . . . . . 5180 1 165 . 1 1 45 45 THR CA C 13 60.53 . . . . . . . . . . . 5180 1 166 . 1 1 46 46 GLY N N 15 109.82 . . . . . . . . . . . 5180 1 167 . 1 1 46 46 GLY H H 1 7.87 . . . . . . . . . . . 5180 1 168 . 1 1 46 46 GLY HA2 H 1 3.94 . . . . . . . . . . . 5180 1 169 . 1 1 46 46 GLY HA3 H 1 3.94 . . . . . . . . . . . 5180 1 170 . 1 1 46 46 GLY CA C 13 41.45 . . . . . . . . . . . 5180 1 171 . 1 1 47 47 LEU N N 15 121.10 . . . . . . . . . . . 5180 1 172 . 1 1 47 47 LEU H H 1 7.53 . . . . . . . . . . . 5180 1 173 . 1 1 47 47 LEU HA H 1 4.16 . . . . . . . . . . . 5180 1 174 . 1 1 47 47 LEU HB2 H 1 1.49 . . . . . . . . . . . 5180 1 175 . 1 1 47 47 LEU HB3 H 1 1.16 . . . . . . . . . . . 5180 1 176 . 1 1 47 47 LEU CA C 13 51.56 . . . . . . . . . . . 5180 1 177 . 1 1 48 48 PHE N N 15 118.14 . . . . . . . . . . . 5180 1 178 . 1 1 48 48 PHE H H 1 7.78 . . . . . . . . . . . 5180 1 179 . 1 1 48 48 PHE HA H 1 4.69 . . . . . . . . . . . 5180 1 180 . 1 1 48 48 PHE HB2 H 1 3.19 . . . . . . . . . . . 5180 1 181 . 1 1 48 48 PHE HB3 H 1 2.90 . . . . . . . . . . . 5180 1 182 . 1 1 48 48 PHE CA C 13 53.06 . . . . . . . . . . . 5180 1 183 . 1 1 49 49 VAL N N 15 120.92 . . . . . . . . . . . 5180 1 184 . 1 1 49 49 VAL H H 1 7.82 . . . . . . . . . . . 5180 1 185 . 1 1 49 49 VAL HA H 1 4.08 . . . . . . . . . . . 5180 1 186 . 1 1 49 49 VAL HB H 1 2.05 . . . . . . . . . . . 5180 1 187 . 1 1 49 49 VAL HG11 H 1 0.90 . . . . . . . . . . . 5180 1 188 . 1 1 49 49 VAL HG12 H 1 0.90 . . . . . . . . . . . 5180 1 189 . 1 1 49 49 VAL HG13 H 1 0.90 . . . . . . . . . . . 5180 1 190 . 1 1 49 49 VAL HG21 H 1 0.90 . . . . . . . . . . . 5180 1 191 . 1 1 49 49 VAL HG22 H 1 0.90 . . . . . . . . . . . 5180 1 192 . 1 1 49 49 VAL HG23 H 1 0.90 . . . . . . . . . . . 5180 1 193 . 1 1 49 49 VAL CA C 13 58.01 . . . . . . . . . . . 5180 1 194 . 1 1 50 50 GLN N N 15 124.62 . . . . . . . . . . . 5180 1 195 . 1 1 50 50 GLN H H 1 8.30 . . . . . . . . . . . 5180 1 196 . 1 1 50 50 GLN HA H 1 4.31 . . . . . . . . . . . 5180 1 197 . 1 1 50 50 GLN HB2 H 1 2.06 . . . . . . . . . . . 5180 1 198 . 1 1 50 50 GLN HB3 H 1 1.95 . . . . . . . . . . . 5180 1 199 . 1 1 50 50 GLN HG2 H 1 2.31 . . . . . . . . . . . 5180 1 200 . 1 1 50 50 GLN HG3 H 1 2.31 . . . . . . . . . . . 5180 1 201 . 1 1 50 50 GLN CA C 13 51.37 . . . . . . . . . . . 5180 1 202 . 1 1 51 51 ASP N N 15 122.21 . . . . . . . . . . . 5180 1 203 . 1 1 51 51 ASP H H 1 8.29 . . . . . . . . . . . 5180 1 204 . 1 1 51 51 ASP HA H 1 2.61 . . . . . . . . . . . 5180 1 205 . 1 1 51 51 ASP CA C 13 49.95 . . . . . . . . . . . 5180 1 206 . 1 1 52 52 ASN CA C 13 48.87 . . . . . . . . . . . 5180 1 207 . 1 1 53 53 VAL N N 15 120.55 . . . . . . . . . . . 5180 1 208 . 1 1 53 53 VAL H H 1 7.94 . . . . . . . . . . . 5180 1 209 . 1 1 53 53 VAL HA H 1 4.04 . . . . . . . . . . . 5180 1 210 . 1 1 53 53 VAL HB H 1 2.07 . . . . . . . . . . . 5180 1 211 . 1 1 53 53 VAL HG11 H 1 0.91 . . . . . . . . . . . 5180 1 212 . 1 1 53 53 VAL HG12 H 1 0.91 . . . . . . . . . . . 5180 1 213 . 1 1 53 53 VAL HG13 H 1 0.91 . . . . . . . . . . . 5180 1 214 . 1 1 53 53 VAL HG21 H 1 0.91 . . . . . . . . . . . 5180 1 215 . 1 1 53 53 VAL HG22 H 1 0.91 . . . . . . . . . . . 5180 1 216 . 1 1 53 53 VAL HG23 H 1 0.91 . . . . . . . . . . . 5180 1 217 . 1 1 53 53 VAL CA C 13 58.28 . . . . . . . . . . . 5180 1 218 . 1 1 57 57 ALA N N 15 129.98 . . . . . . . . . . . 5180 1 219 . 1 1 57 57 ALA H H 1 7.65 . . . . . . . . . . . 5180 1 220 . 1 1 57 57 ALA HA H 1 4.09 . . . . . . . . . . . 5180 1 221 . 1 1 57 57 ALA HB1 H 1 1.17 . . . . . . . . . . . 5180 1 222 . 1 1 57 57 ALA HB2 H 1 1.17 . . . . . . . . . . . 5180 1 223 . 1 1 57 57 ALA HB3 H 1 1.17 . . . . . . . . . . . 5180 1 stop_ save_