data_50206 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50206 _Entry.Title ; Backbone chemical shift assignments of the KIX:MLLMyb complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-26 _Entry.Accession_date 2020-02-26 _Entry.Last_release_date 2020-02-26 _Entry.Original_release_date 2020-02-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone chemical shift assignments of the KIX domain of CBP/p300 and a MLLMyb peptide chimera when in a 1:1 complex.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 David Langelaan . N. . . 50206 2 Alex Brown . D. . . 50206 3 Steven Smith . P. . . 50206 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50206 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 50206 '15N chemical shifts' 135 50206 '1H chemical shifts' 137 50206 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 . . 2020-02-26 . original BMRB . 50206 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50206 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Development of a high-affinity designer peptide to probe CBP/p300 transcriptional activation in health and disease ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Langelaan . N. . . 50206 1 2 Marina Lochhead . R. . . 50206 1 3 Alex Brown . D. . . 50206 1 4 David Lebrun . P. . . 50206 1 5 Steven Smith . P. . . 50206 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50206 _Assembly.ID 1 _Assembly.Name 'KIX:MLLMyb complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KIX 1 $entity_1 . . yes native no no . . . 50206 1 2 MLLMyb 2 $entity_2 . . yes native no no . . . 50206 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50206 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGVRKGWHEHVTQDLRSHLV HKLVQAIFPTPDPAALKDRR MENLVAYAKKVEGDMYESAN SRDEYYHLLAEKIYKIQKEL EEKRRSRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50206 1 2 . GLY . 50206 1 3 . VAL . 50206 1 4 . ARG . 50206 1 5 . LYS . 50206 1 6 . GLY . 50206 1 7 . TRP . 50206 1 8 . HIS . 50206 1 9 . GLU . 50206 1 10 . HIS . 50206 1 11 . VAL . 50206 1 12 . THR . 50206 1 13 . GLN . 50206 1 14 . ASP . 50206 1 15 . LEU . 50206 1 16 . ARG . 50206 1 17 . SER . 50206 1 18 . HIS . 50206 1 19 . LEU . 50206 1 20 . VAL . 50206 1 21 . HIS . 50206 1 22 . LYS . 50206 1 23 . LEU . 50206 1 24 . VAL . 50206 1 25 . GLN . 50206 1 26 . ALA . 50206 1 27 . ILE . 50206 1 28 . PHE . 50206 1 29 . PRO . 50206 1 30 . THR . 50206 1 31 . PRO . 50206 1 32 . ASP . 50206 1 33 . PRO . 50206 1 34 . ALA . 50206 1 35 . ALA . 50206 1 36 . LEU . 50206 1 37 . LYS . 50206 1 38 . ASP . 50206 1 39 . ARG . 50206 1 40 . ARG . 50206 1 41 . MET . 50206 1 42 . GLU . 50206 1 43 . ASN . 50206 1 44 . LEU . 50206 1 45 . VAL . 50206 1 46 . ALA . 50206 1 47 . TYR . 50206 1 48 . ALA . 50206 1 49 . LYS . 50206 1 50 . LYS . 50206 1 51 . VAL . 50206 1 52 . GLU . 50206 1 53 . GLY . 50206 1 54 . ASP . 50206 1 55 . MET . 50206 1 56 . TYR . 50206 1 57 . GLU . 50206 1 58 . SER . 50206 1 59 . ALA . 50206 1 60 . ASN . 50206 1 61 . SER . 50206 1 62 . ARG . 50206 1 63 . ASP . 50206 1 64 . GLU . 50206 1 65 . TYR . 50206 1 66 . TYR . 50206 1 67 . HIS . 50206 1 68 . LEU . 50206 1 69 . LEU . 50206 1 70 . ALA . 50206 1 71 . GLU . 50206 1 72 . LYS . 50206 1 73 . ILE . 50206 1 74 . TYR . 50206 1 75 . LYS . 50206 1 76 . ILE . 50206 1 77 . GLN . 50206 1 78 . LYS . 50206 1 79 . GLU . 50206 1 80 . LEU . 50206 1 81 . GLU . 50206 1 82 . GLU . 50206 1 83 . LYS . 50206 1 84 . ARG . 50206 1 85 . ARG . 50206 1 86 . SER . 50206 1 87 . ARG . 50206 1 88 . LEU . 50206 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 . MET 1 1 50206 1 . GLY 2 2 50206 1 . VAL 3 3 50206 1 . ARG 4 4 50206 1 . LYS 5 5 50206 1 . GLY 6 6 50206 1 . TRP 7 7 50206 1 . HIS 8 8 50206 1 . GLU 9 9 50206 1 . HIS 10 10 50206 1 . VAL 11 11 50206 1 . THR 12 12 50206 1 . GLN 13 13 50206 1 . ASP 14 14 50206 1 . LEU 15 15 50206 1 . ARG 16 16 50206 1 . SER 17 17 50206 1 . HIS 18 18 50206 1 . LEU 19 19 50206 1 . VAL 20 20 50206 1 . HIS 21 21 50206 1 . LYS 22 22 50206 1 . LEU 23 23 50206 1 . VAL 24 24 50206 1 . GLN 25 25 50206 1 . ALA 26 26 50206 1 . ILE 27 27 50206 1 . PHE 28 28 50206 1 . PRO 29 29 50206 1 . THR 30 30 50206 1 . PRO 31 31 50206 1 . ASP 32 32 50206 1 . PRO 33 33 50206 1 . ALA 34 34 50206 1 . ALA 35 35 50206 1 . LEU 36 36 50206 1 . LYS 37 37 50206 1 . ASP 38 38 50206 1 . ARG 39 39 50206 1 . ARG 40 40 50206 1 . MET 41 41 50206 1 . GLU 42 42 50206 1 . ASN 43 43 50206 1 . LEU 44 44 50206 1 . VAL 45 45 50206 1 . ALA 46 46 50206 1 . TYR 47 47 50206 1 . ALA 48 48 50206 1 . LYS 49 49 50206 1 . LYS 50 50 50206 1 . VAL 51 51 50206 1 . GLU 52 52 50206 1 . GLY 53 53 50206 1 . ASP 54 54 50206 1 . MET 55 55 50206 1 . TYR 56 56 50206 1 . GLU 57 57 50206 1 . SER 58 58 50206 1 . ALA 59 59 50206 1 . ASN 60 60 50206 1 . SER 61 61 50206 1 . ARG 62 62 50206 1 . ASP 63 63 50206 1 . GLU 64 64 50206 1 . TYR 65 65 50206 1 . TYR 66 66 50206 1 . HIS 67 67 50206 1 . LEU 68 68 50206 1 . LEU 69 69 50206 1 . ALA 70 70 50206 1 . GLU 71 71 50206 1 . LYS 72 72 50206 1 . ILE 73 73 50206 1 . TYR 74 74 50206 1 . LYS 75 75 50206 1 . ILE 76 76 50206 1 . GLN 77 77 50206 1 . LYS 78 78 50206 1 . GLU 79 79 50206 1 . LEU 80 80 50206 1 . GLU 81 81 50206 1 . GLU 82 82 50206 1 . LYS 83 83 50206 1 . ARG 84 84 50206 1 . ARG 85 85 50206 1 . SER 86 86 50206 1 . ARG 87 87 50206 1 . LEU 88 88 50206 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50206 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GSSDDGNILPSDIMDFVLKN TPSMQALGESPESKEKRIKE LELLLMSTENELKGQQAL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50206 2 2 . SER . 50206 2 3 . SER . 50206 2 4 . ASP . 50206 2 5 . ASP . 50206 2 6 . GLY . 50206 2 7 . ASN . 50206 2 8 . ILE . 50206 2 9 . LEU . 50206 2 10 . PRO . 50206 2 11 . SER . 50206 2 12 . ASP . 50206 2 13 . ILE . 50206 2 14 . MET . 50206 2 15 . ASP . 50206 2 16 . PHE . 50206 2 17 . VAL . 50206 2 18 . LEU . 50206 2 19 . LYS . 50206 2 20 . ASN . 50206 2 21 . THR . 50206 2 22 . PRO . 50206 2 23 . SER . 50206 2 24 . MET . 50206 2 25 . GLN . 50206 2 26 . ALA . 50206 2 27 . LEU . 50206 2 28 . GLY . 50206 2 29 . GLU . 50206 2 30 . SER . 50206 2 31 . PRO . 50206 2 32 . GLU . 50206 2 33 . SER . 50206 2 34 . LYS . 50206 2 35 . GLU . 50206 2 36 . LYS . 50206 2 37 . ARG . 50206 2 38 . ILE . 50206 2 39 . LYS . 50206 2 40 . GLU . 50206 2 41 . LEU . 50206 2 42 . GLU . 50206 2 43 . LEU . 50206 2 44 . LEU . 50206 2 45 . LEU . 50206 2 46 . MET . 50206 2 47 . SER . 50206 2 48 . THR . 50206 2 49 . GLU . 50206 2 50 . ASN . 50206 2 51 . GLU . 50206 2 52 . LEU . 50206 2 53 . LYS . 50206 2 54 . GLY . 50206 2 55 . GLN . 50206 2 56 . GLN . 50206 2 57 . ALA . 50206 2 58 . LEU . 50206 2 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 50206 2 . SER 2 2 50206 2 . SER 3 3 50206 2 . ASP 4 4 50206 2 . ASP 5 5 50206 2 . GLY 6 6 50206 2 . ASN 7 7 50206 2 . ILE 8 8 50206 2 . LEU 9 9 50206 2 . PRO 10 10 50206 2 . SER 11 11 50206 2 . ASP 12 12 50206 2 . ILE 13 13 50206 2 . MET 14 14 50206 2 . ASP 15 15 50206 2 . PHE 16 16 50206 2 . VAL 17 17 50206 2 . LEU 18 18 50206 2 . LYS 19 19 50206 2 . ASN 20 20 50206 2 . THR 21 21 50206 2 . PRO 22 22 50206 2 . SER 23 23 50206 2 . MET 24 24 50206 2 . GLN 25 25 50206 2 . ALA 26 26 50206 2 . LEU 27 27 50206 2 . GLY 28 28 50206 2 . GLU 29 29 50206 2 . SER 30 30 50206 2 . PRO 31 31 50206 2 . GLU 32 32 50206 2 . SER 33 33 50206 2 . LYS 34 34 50206 2 . GLU 35 35 50206 2 . LYS 36 36 50206 2 . ARG 37 37 50206 2 . ILE 38 38 50206 2 . LYS 39 39 50206 2 . GLU 40 40 50206 2 . LEU 41 41 50206 2 . GLU 42 42 50206 2 . LEU 43 43 50206 2 . LEU 44 44 50206 2 . LEU 45 45 50206 2 . MET 46 46 50206 2 . SER 47 47 50206 2 . THR 48 48 50206 2 . GLU 49 49 50206 2 . ASN 50 50 50206 2 . GLU 51 51 50206 2 . LEU 52 52 50206 2 . LYS 53 53 50206 2 . GLY 54 54 50206 2 . GLN 55 55 50206 2 . GLN 56 56 50206 2 . ALA 57 57 50206 2 . LEU 58 58 50206 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50206 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50206 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50206 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50206 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET 21' . . . 50206 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pET 21' . . . 50206 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50206 _Sample.ID 1 _Sample.Name 'Labelled KIX sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C 15N Labelled KIX with unlabelled MLLMyb' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KIX '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 . . mM . . . . 50206 1 2 MLLMyb 'natural abundance' . . 2 $entity_2 . . 1 . . mM . . . . 50206 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 50206 1 4 D2O [U-2H] . . . . . . 5 . . % . . . . 50206 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 50206 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50206 _Sample.ID 2 _Sample.Name 'Labelled MLLMyb sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C 15N Labelled MLLMyb with unlabelled KIX' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KIX 'natural abundance' . . 1 $entity_1 . . 1.2 . . mM . . . . 50206 2 2 MLLMyb '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 50206 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 50206 2 4 D2O [U-2H] . . . . . . 5 . . % . . . . 50206 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 50206 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50206 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 50206 1 pH 6.8 . pH 50206 1 pressure 1 . atm 50206 1 temperature 298 . K 50206 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50206 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50206 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50206 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50206 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50206 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50206 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50206 _Software.ID 4 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50206 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50206 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50206 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50206 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50206 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50206 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50206 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50206 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50206 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50206 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50206 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50206 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50206 1 10 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50206 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50206 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Referenced vs. water' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.782 internal indirect 0.251449530 . . . . . 50206 1 H 1 water protons . . . . ppm 4.782 internal direct 1 . . . . . 50206 1 N 15 water protons . . . . ppm 4.782 internal indirect 0.101329118 . . . . . 50206 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50206 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Labelled KIX with unlabelled MLLMYb' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50206 1 2 '3D CBCA(CO)NH' . . . 50206 1 3 '3D HNCACB' . . . 50206 1 4 '3D HNCO' . . . 50206 1 5 '3D HCACO' . . . 50206 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50206 1 2 $software_2 . . 50206 1 3 $software_3 . . 50206 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 ARG H H 1 8.579 0.001 . 1 . . 35 . . 4 ARG H . 50206 1 2 . 1 . 1 4 4 ARG C C 13 175.961 0.028 . 1 . . 365 . . 4 ARG C . 50206 1 3 . 1 . 1 4 4 ARG CA C 13 56.159 0.01 . 1 . . 364 . . 4 ARG CA . 50206 1 4 . 1 . 1 4 4 ARG CB C 13 30.890 0.009 . 1 . . 363 . . 4 ARG CB . 50206 1 5 . 1 . 1 4 4 ARG N N 15 125.679 0.017 . 1 . . 36 . . 4 ARG N . 50206 1 6 . 1 . 1 5 5 LYS H H 1 8.008 0.006 . 1 . . 51 . . 5 LYS H . 50206 1 7 . 1 . 1 5 5 LYS C C 13 177.762 . . 1 . . 368 . . 5 LYS C . 50206 1 8 . 1 . 1 5 5 LYS CA C 13 54.533 . . 1 . . 366 . . 5 LYS CA . 50206 1 9 . 1 . 1 5 5 LYS CB C 13 34.278 . . 1 . . 367 . . 5 LYS CB . 50206 1 10 . 1 . 1 5 5 LYS N N 15 124.413 0.021 . 1 . . 52 . . 5 LYS N . 50206 1 11 . 1 . 1 7 7 TRP H H 1 7.940 0.001 . 1 . . 399 . . 7 TRP H . 50206 1 12 . 1 . 1 7 7 TRP C C 13 177.433 0.024 . 1 . . 401 . . 7 TRP C . 50206 1 13 . 1 . 1 7 7 TRP CA C 13 58.163 0.015 . 1 . . 402 . . 7 TRP CA . 50206 1 14 . 1 . 1 7 7 TRP CB C 13 27.600 0.012 . 1 . . 403 . . 7 TRP CB . 50206 1 15 . 1 . 1 7 7 TRP N N 15 118.049 0.008 . 1 . . 400 . . 7 TRP N . 50206 1 16 . 1 . 1 8 8 HIS H H 1 6.709 0.003 . 1 . . 25 . . 8 HIS H . 50206 1 17 . 1 . 1 8 8 HIS C C 13 177.603 0.013 . 1 . . 397 . . 8 HIS C . 50206 1 18 . 1 . 1 8 8 HIS CA C 13 56.671 0.016 . 1 . . 396 . . 8 HIS CA . 50206 1 19 . 1 . 1 8 8 HIS CB C 13 31.086 0.034 . 1 . . 398 . . 8 HIS CB . 50206 1 20 . 1 . 1 8 8 HIS N N 15 120.536 0.004 . 1 . . 26 . . 8 HIS N . 50206 1 21 . 1 . 1 9 9 GLU H H 1 7.434 0.003 . 1 . . 11 . . 9 GLU H . 50206 1 22 . 1 . 1 9 9 GLU C C 13 176.717 . . 1 . . 393 . . 9 GLU C . 50206 1 23 . 1 . 1 9 9 GLU CA C 13 58.344 . . 1 . . 394 . . 9 GLU CA . 50206 1 24 . 1 . 1 9 9 GLU CB C 13 29.477 . . 1 . . 395 . . 9 GLU CB . 50206 1 25 . 1 . 1 9 9 GLU N N 15 116.245 0.007 . 1 . . 12 . . 9 GLU N . 50206 1 26 . 1 . 1 10 10 HIS H H 1 7.350 0.001 . 1 . . 93 . . 10 HIS H . 50206 1 27 . 1 . 1 10 10 HIS C C 13 175.149 0.008 . 1 . . 371 . . 10 HIS C . 50206 1 28 . 1 . 1 10 10 HIS CA C 13 55.717 0.004 . 1 . . 370 . . 10 HIS CA . 50206 1 29 . 1 . 1 10 10 HIS CB C 13 31.410 0.003 . 1 . . 369 . . 10 HIS CB . 50206 1 30 . 1 . 1 10 10 HIS N N 15 113.805 0.004 . 1 . . 94 . . 10 HIS N . 50206 1 31 . 1 . 1 11 11 VAL H H 1 7.468 0.001 . 1 . . 125 . . 11 VAL H . 50206 1 32 . 1 . 1 11 11 VAL C C 13 174.319 0.01 . 1 . . 185 . . 11 VAL C . 50206 1 33 . 1 . 1 11 11 VAL CA C 13 61.970 0.08 . 1 . . 182 . . 11 VAL CA . 50206 1 34 . 1 . 1 11 11 VAL CB C 13 33.050 0.018 . 1 . . 183 . . 11 VAL CB . 50206 1 35 . 1 . 1 11 11 VAL N N 15 121.098 0.007 . 1 . . 126 . . 11 VAL N . 50206 1 36 . 1 . 1 12 12 THR H H 1 7.593 0.003 . 1 . . 7 . . 12 THR H . 50206 1 37 . 1 . 1 12 12 THR C C 13 175.312 0.001 . 1 . . 184 . . 12 THR C . 50206 1 38 . 1 . 1 12 12 THR CA C 13 60.254 . . 1 . . 181 . . 12 THR CA . 50206 1 39 . 1 . 1 12 12 THR CB C 13 71.254 0.017 . 1 . . 180 . . 12 THR CB . 50206 1 40 . 1 . 1 12 12 THR N N 15 115.239 0.002 . 1 . . 8 . . 12 THR N . 50206 1 41 . 1 . 1 13 13 GLN H H 1 8.879 0.004 . 1 . . 188 . . 13 GLN H . 50206 1 42 . 1 . 1 13 13 GLN C C 13 178.050 0.012 . 1 . . 190 . . 13 GLN C . 50206 1 43 . 1 . 1 13 13 GLN CA C 13 58.956 0.03 . 1 . . 186 . . 13 GLN CA . 50206 1 44 . 1 . 1 13 13 GLN CB C 13 28.151 0.063 . 1 . . 189 . . 13 GLN CB . 50206 1 45 . 1 . 1 13 13 GLN N N 15 120.071 0.015 . 1 . . 187 . . 13 GLN N . 50206 1 46 . 1 . 1 14 14 ASP H H 1 8.424 0.002 . 1 . . 95 . . 14 ASP H . 50206 1 47 . 1 . 1 14 14 ASP C C 13 178.462 0.007 . 1 . . 193 . . 14 ASP C . 50206 1 48 . 1 . 1 14 14 ASP CA C 13 57.233 0.05 . 1 . . 192 . . 14 ASP CA . 50206 1 49 . 1 . 1 14 14 ASP CB C 13 40.399 0.024 . 1 . . 191 . . 14 ASP CB . 50206 1 50 . 1 . 1 14 14 ASP N N 15 117.947 0.007 . 1 . . 96 . . 14 ASP N . 50206 1 51 . 1 . 1 15 15 LEU H H 1 7.636 0.003 . 1 . . 133 . . 15 LEU H . 50206 1 52 . 1 . 1 15 15 LEU C C 13 178.510 0.005 . 1 . . 305 . . 15 LEU C . 50206 1 53 . 1 . 1 15 15 LEU CA C 13 58.753 0.05 . 1 . . 194 . . 15 LEU CA . 50206 1 54 . 1 . 1 15 15 LEU CB C 13 41.244 0.015 . 1 . . 195 . . 15 LEU CB . 50206 1 55 . 1 . 1 15 15 LEU N N 15 122.224 0.014 . 1 . . 134 . . 15 LEU N . 50206 1 56 . 1 . 1 16 16 ARG H H 1 7.944 0.003 . 1 . . 55 . . 16 ARG H . 50206 1 57 . 1 . 1 16 16 ARG C C 13 178.676 0.016 . 1 . . 201 . . 16 ARG C . 50206 1 58 . 1 . 1 16 16 ARG CA C 13 60.585 0.062 . 1 . . 200 . . 16 ARG CA . 50206 1 59 . 1 . 1 16 16 ARG CB C 13 30.947 0.001 . 1 . . 196 . . 16 ARG CB . 50206 1 60 . 1 . 1 16 16 ARG N N 15 117.866 0.043 . 1 . . 56 . . 16 ARG N . 50206 1 61 . 1 . 1 17 17 SER H H 1 8.380 0.003 . 1 . . 101 . . 17 SER H . 50206 1 62 . 1 . 1 17 17 SER C C 13 177.473 . . 1 . . 199 . . 17 SER C . 50206 1 63 . 1 . 1 17 17 SER CA C 13 61.780 0.062 . 1 . . 198 . . 17 SER CA . 50206 1 64 . 1 . 1 17 17 SER CB C 13 62.785 0.062 . 1 . . 197 . . 17 SER CB . 50206 1 65 . 1 . 1 17 17 SER N N 15 112.824 0.008 . 1 . . 102 . . 17 SER N . 50206 1 66 . 1 . 1 18 18 HIS H H 1 8.001 0.003 . 1 . . 141 . . 18 HIS H . 50206 1 67 . 1 . 1 18 18 HIS C C 13 178.596 0.0 . 1 . . 204 . . 18 HIS C . 50206 1 68 . 1 . 1 18 18 HIS CA C 13 59.968 0.01 . 1 . . 202 . . 18 HIS CA . 50206 1 69 . 1 . 1 18 18 HIS CB C 13 29.938 0.013 . 1 . . 203 . . 18 HIS CB . 50206 1 70 . 1 . 1 18 18 HIS N N 15 120.968 0.01 . 1 . . 142 . . 18 HIS N . 50206 1 71 . 1 . 1 19 19 LEU H H 1 8.797 0.003 . 1 . . 113 . . 19 LEU H . 50206 1 72 . 1 . 1 19 19 LEU C C 13 179.132 . . 1 . . 207 . . 19 LEU C . 50206 1 73 . 1 . 1 19 19 LEU CA C 13 58.566 0.021 . 1 . . 205 . . 19 LEU CA . 50206 1 74 . 1 . 1 19 19 LEU CB C 13 41.435 0.053 . 1 . . 206 . . 19 LEU CB . 50206 1 75 . 1 . 1 19 19 LEU N N 15 122.863 0.011 . 1 . . 114 . . 19 LEU N . 50206 1 76 . 1 . 1 20 20 VAL H H 1 8.177 0.001 . 1 . . 83 . . 20 VAL H . 50206 1 77 . 1 . 1 20 20 VAL C C 13 177.512 0.01 . 1 . . 210 . . 20 VAL C . 50206 1 78 . 1 . 1 20 20 VAL CA C 13 68.036 0.005 . 1 . . 208 . . 20 VAL CA . 50206 1 79 . 1 . 1 20 20 VAL CB C 13 31.257 0.015 . 1 . . 209 . . 20 VAL CB . 50206 1 80 . 1 . 1 20 20 VAL N N 15 119.502 0.029 . 1 . . 84 . . 20 VAL N . 50206 1 81 . 1 . 1 21 21 HIS H H 1 7.270 0.001 . 1 . . 1 . . 21 HIS H . 50206 1 82 . 1 . 1 21 21 HIS C C 13 178.180 0.01 . 1 . . 213 . . 21 HIS C . 50206 1 83 . 1 . 1 21 21 HIS CA C 13 59.790 0.007 . 1 . . 212 . . 21 HIS CA . 50206 1 84 . 1 . 1 21 21 HIS CB C 13 30.002 0.021 . 1 . . 211 . . 21 HIS CB . 50206 1 85 . 1 . 1 21 21 HIS N N 15 116.538 0.022 . 1 . . 2 . . 21 HIS N . 50206 1 86 . 1 . 1 22 22 LYS H H 1 7.977 0.003 . 1 . . 45 . . 22 LYS H . 50206 1 87 . 1 . 1 22 22 LYS C C 13 179.008 0.009 . 1 . . 301 . . 22 LYS C . 50206 1 88 . 1 . 1 22 22 LYS CA C 13 59.339 0.057 . 1 . . 300 . . 22 LYS CA . 50206 1 89 . 1 . 1 22 22 LYS CB C 13 32.278 0.062 . 1 . . 299 . . 22 LYS CB . 50206 1 90 . 1 . 1 22 22 LYS N N 15 118.985 0.021 . 1 . . 46 . . 22 LYS N . 50206 1 91 . 1 . 1 23 23 LEU H H 1 8.458 0.002 . 1 . . 129 . . 23 LEU H . 50206 1 92 . 1 . 1 23 23 LEU C C 13 178.313 0.007 . 1 . . 304 . . 23 LEU C . 50206 1 93 . 1 . 1 23 23 LEU CA C 13 59.332 0.013 . 1 . . 303 . . 23 LEU CA . 50206 1 94 . 1 . 1 23 23 LEU CB C 13 42.081 0.004 . 1 . . 302 . . 23 LEU CB . 50206 1 95 . 1 . 1 23 23 LEU N N 15 121.375 0.014 . 1 . . 130 . . 23 LEU N . 50206 1 96 . 1 . 1 24 24 VAL H H 1 7.935 0.003 . 1 . . 15 . . 24 VAL H . 50206 1 97 . 1 . 1 24 24 VAL C C 13 177.630 0.008 . 1 . . 306 . . 24 VAL C . 50206 1 98 . 1 . 1 24 24 VAL CA C 13 67.867 0.004 . 1 . . 307 . . 24 VAL CA . 50206 1 99 . 1 . 1 24 24 VAL CB C 13 31.550 0.009 . 1 . . 308 . . 24 VAL CB . 50206 1 100 . 1 . 1 24 24 VAL N N 15 117.485 0.02 . 1 . . 16 . . 24 VAL N . 50206 1 101 . 1 . 1 25 25 GLN H H 1 7.957 0.003 . 1 . . 67 . . 25 GLN H . 50206 1 102 . 1 . 1 25 25 GLN C C 13 177.133 0.01 . 1 . . 311 . . 25 GLN C . 50206 1 103 . 1 . 1 25 25 GLN CA C 13 57.983 0.031 . 1 . . 309 . . 25 GLN CA . 50206 1 104 . 1 . 1 25 25 GLN CB C 13 28.816 0.003 . 1 . . 310 . . 25 GLN CB . 50206 1 105 . 1 . 1 25 25 GLN N N 15 117.275 0.011 . 1 . . 68 . . 25 GLN N . 50206 1 106 . 1 . 1 26 26 ALA H H 1 7.864 0.002 . 1 . . 37 . . 26 ALA H . 50206 1 107 . 1 . 1 26 26 ALA C C 13 179.281 0.002 . 1 . . 314 . . 26 ALA C . 50206 1 108 . 1 . 1 26 26 ALA CA C 13 53.832 0.028 . 1 . . 313 . . 26 ALA CA . 50206 1 109 . 1 . 1 26 26 ALA CB C 13 18.545 0.018 . 1 . . 312 . . 26 ALA CB . 50206 1 110 . 1 . 1 26 26 ALA N N 15 119.133 0.007 . 1 . . 38 . . 26 ALA N . 50206 1 111 . 1 . 1 27 27 ILE H H 1 7.571 0.003 . 1 . . 19 . . 27 ILE H . 50206 1 112 . 1 . 1 27 27 ILE C C 13 173.845 0.01 . 1 . . 317 . . 27 ILE C . 50206 1 113 . 1 . 1 27 27 ILE CA C 13 63.689 . . 1 . . 316 . . 27 ILE CA . 50206 1 114 . 1 . 1 27 27 ILE CB C 13 39.238 . . 1 . . 315 . . 27 ILE CB . 50206 1 115 . 1 . 1 27 27 ILE N N 15 116.094 0.01 . 1 . . 20 . . 27 ILE N . 50206 1 116 . 1 . 1 28 28 PHE H H 1 8.430 0.001 . 1 . . 320 . . 28 PHE H . 50206 1 117 . 1 . 1 28 28 PHE C C 13 171.048 . . 1 . . 318 . . 28 PHE C . 50206 1 118 . 1 . 1 28 28 PHE CA C 13 51.738 . . 1 . . 322 . . 28 PHE CA . 50206 1 119 . 1 . 1 28 28 PHE CB C 13 39.352 . . 1 . . 321 . . 28 PHE CB . 50206 1 120 . 1 . 1 28 28 PHE N N 15 118.279 0.033 . 1 . . 319 . . 28 PHE N . 50206 1 121 . 1 . 1 29 29 PRO C C 13 177.523 . . 1 . . 408 . . 29 PRO C . 50206 1 122 . 1 . 1 29 29 PRO CA C 13 63.962 . . 1 . . 405 . . 29 PRO CA . 50206 1 123 . 1 . 1 30 30 THR H H 1 7.866 0.002 . 1 . . 137 . . 30 THR H . 50206 1 124 . 1 . 1 30 30 THR C C 13 172.145 . . 1 . . 407 . . 30 THR C . 50206 1 125 . 1 . 1 30 30 THR CA C 13 58.795 . . 1 . . 404 . . 30 THR CA . 50206 1 126 . 1 . 1 30 30 THR CB C 13 69.635 . . 1 . . 406 . . 30 THR CB . 50206 1 127 . 1 . 1 30 30 THR N N 15 110.034 0.011 . 1 . . 138 . . 30 THR N . 50206 1 128 . 1 . 1 32 32 ASP H H 1 8.249 0.0 . 1 . . 85 . . 32 ASP H . 50206 1 129 . 1 . 1 32 32 ASP C C 13 174.504 . . 1 . . 390 . . 32 ASP C . 50206 1 130 . 1 . 1 32 32 ASP CA C 13 52.103 . . 1 . . 391 . . 32 ASP CA . 50206 1 131 . 1 . 1 32 32 ASP CB C 13 40.821 . . 1 . . 392 . . 32 ASP CB . 50206 1 132 . 1 . 1 32 32 ASP N N 15 123.151 0.004 . 1 . . 86 . . 32 ASP N . 50206 1 133 . 1 . 1 34 34 ALA H H 1 8.161 0.001 . 1 . . 53 . . 34 ALA H . 50206 1 134 . 1 . 1 34 34 ALA C C 13 180.662 0.006 . 1 . . 146 . . 34 ALA C . 50206 1 135 . 1 . 1 34 34 ALA CA C 13 54.703 . . 1 . . 388 . . 34 ALA CA . 50206 1 136 . 1 . 1 34 34 ALA CB C 13 18.193 . . 1 . . 389 . . 34 ALA CB . 50206 1 137 . 1 . 1 34 34 ALA N N 15 118.852 0.008 . 1 . . 54 . . 34 ALA N . 50206 1 138 . 1 . 1 35 35 ALA H H 1 8.127 0.002 . 1 . . 135 . . 35 ALA H . 50206 1 139 . 1 . 1 35 35 ALA C C 13 179.261 0.008 . 1 . . 145 . . 35 ALA C . 50206 1 140 . 1 . 1 35 35 ALA CA C 13 54.887 0.019 . 1 . . 144 . . 35 ALA CA . 50206 1 141 . 1 . 1 35 35 ALA CB C 13 18.436 0.056 . 1 . . 143 . . 35 ALA CB . 50206 1 142 . 1 . 1 35 35 ALA N N 15 122.824 0.018 . 1 . . 136 . . 35 ALA N . 50206 1 143 . 1 . 1 36 36 LEU H H 1 7.593 0.002 . 1 . . 139 . . 36 LEU H . 50206 1 144 . 1 . 1 36 36 LEU C C 13 178.178 0.011 . 1 . . 149 . . 36 LEU C . 50206 1 145 . 1 . 1 36 36 LEU CA C 13 57.020 0.055 . 1 . . 148 . . 36 LEU CA . 50206 1 146 . 1 . 1 36 36 LEU CB C 13 42.073 0.006 . 1 . . 147 . . 36 LEU CB . 50206 1 147 . 1 . 1 36 36 LEU N N 15 113.892 0.009 . 1 . . 140 . . 36 LEU N . 50206 1 148 . 1 . 1 37 37 LYS H H 1 7.266 0.003 . 1 . . 43 . . 37 LYS H . 50206 1 149 . 1 . 1 37 37 LYS C C 13 175.931 0.005 . 1 . . 152 . . 37 LYS C . 50206 1 150 . 1 . 1 37 37 LYS CA C 13 55.452 0.047 . 1 . . 150 . . 37 LYS CA . 50206 1 151 . 1 . 1 37 37 LYS CB C 13 32.821 0.033 . 1 . . 151 . . 37 LYS CB . 50206 1 152 . 1 . 1 37 37 LYS N N 15 115.072 0.003 . 1 . . 44 . . 37 LYS N . 50206 1 153 . 1 . 1 38 38 ASP H H 1 7.454 0.003 . 1 . . 77 . . 38 ASP H . 50206 1 154 . 1 . 1 38 38 ASP C C 13 177.949 0.001 . 1 . . 155 . . 38 ASP C . 50206 1 155 . 1 . 1 38 38 ASP CA C 13 54.155 0.038 . 1 . . 154 . . 38 ASP CA . 50206 1 156 . 1 . 1 38 38 ASP CB C 13 44.518 0.028 . 1 . . 153 . . 38 ASP CB . 50206 1 157 . 1 . 1 38 38 ASP N N 15 123.378 0.009 . 1 . . 78 . . 38 ASP N . 50206 1 158 . 1 . 1 39 39 ARG H H 1 9.095 0.005 . 1 . . 323 . . 39 ARG H . 50206 1 159 . 1 . 1 39 39 ARG C C 13 178.062 0.025 . 1 . . 327 . . 39 ARG C . 50206 1 160 . 1 . 1 39 39 ARG CA C 13 58.877 . . 1 . . 325 . . 39 ARG CA . 50206 1 161 . 1 . 1 39 39 ARG CB C 13 29.473 0.033 . 1 . . 326 . . 39 ARG CB . 50206 1 162 . 1 . 1 39 39 ARG N N 15 130.297 0.057 . 1 . . 324 . . 39 ARG N . 50206 1 163 . 1 . 1 40 40 ARG H H 1 9.610 0.003 . 1 . . 65 . . 40 ARG H . 50206 1 164 . 1 . 1 40 40 ARG C C 13 178.212 0.012 . 1 . . 330 . . 40 ARG C . 50206 1 165 . 1 . 1 40 40 ARG CA C 13 58.748 0.068 . 1 . . 329 . . 40 ARG CA . 50206 1 166 . 1 . 1 40 40 ARG CB C 13 28.642 0.079 . 1 . . 328 . . 40 ARG CB . 50206 1 167 . 1 . 1 40 40 ARG N N 15 118.785 0.011 . 1 . . 66 . . 40 ARG N . 50206 1 168 . 1 . 1 41 41 MET H H 1 7.797 0.002 . 1 . . 332 . . 41 MET H . 50206 1 169 . 1 . 1 41 41 MET C C 13 178.631 0.018 . 1 . . 333 . . 41 MET C . 50206 1 170 . 1 . 1 41 41 MET CA C 13 57.248 0.023 . 1 . . 334 . . 41 MET CA . 50206 1 171 . 1 . 1 41 41 MET CB C 13 31.191 . . 1 . . 335 . . 41 MET CB . 50206 1 172 . 1 . 1 41 41 MET N N 15 119.712 0.055 . 1 . . 331 . . 41 MET N . 50206 1 173 . 1 . 1 42 42 GLU H H 1 7.371 0.001 . 1 . . 103 . . 42 GLU H . 50206 1 174 . 1 . 1 42 42 GLU C C 13 179.812 0.007 . 1 . . 336 . . 42 GLU C . 50206 1 175 . 1 . 1 42 42 GLU CA C 13 59.291 0.018 . 1 . . 337 . . 42 GLU CA . 50206 1 176 . 1 . 1 42 42 GLU CB C 13 28.915 0.001 . 1 . . 338 . . 42 GLU CB . 50206 1 177 . 1 . 1 42 42 GLU N N 15 118.052 0.008 . 1 . . 104 . . 42 GLU N . 50206 1 178 . 1 . 1 43 43 ASN H H 1 7.596 0.002 . 1 . . 31 . . 43 ASN H . 50206 1 179 . 1 . 1 43 43 ASN C C 13 177.685 0.009 . 1 . . 341 . . 43 ASN C . 50206 1 180 . 1 . 1 43 43 ASN CA C 13 55.885 0.036 . 1 . . 340 . . 43 ASN CA . 50206 1 181 . 1 . 1 43 43 ASN CB C 13 37.475 0.03 . 1 . . 339 . . 43 ASN CB . 50206 1 182 . 1 . 1 43 43 ASN N N 15 117.806 0.012 . 1 . . 32 . . 43 ASN N . 50206 1 183 . 1 . 1 44 44 LEU H H 1 8.043 0.001 . 1 . . 57 . . 44 LEU H . 50206 1 184 . 1 . 1 44 44 LEU C C 13 177.516 0.019 . 1 . . 344 . . 44 LEU C . 50206 1 185 . 1 . 1 44 44 LEU CA C 13 58.979 . . 1 . . 342 . . 44 LEU CA . 50206 1 186 . 1 . 1 44 44 LEU CB C 13 41.072 0.01 . 1 . . 343 . . 44 LEU CB . 50206 1 187 . 1 . 1 44 44 LEU N N 15 124.564 0.018 . 1 . . 58 . . 44 LEU N . 50206 1 188 . 1 . 1 45 45 VAL H H 1 8.396 0.003 . 1 . . 33 . . 45 VAL H . 50206 1 189 . 1 . 1 45 45 VAL C C 13 177.563 0.025 . 1 . . 345 . . 45 VAL C . 50206 1 190 . 1 . 1 45 45 VAL CA C 13 67.288 0.007 . 1 . . 347 . . 45 VAL CA . 50206 1 191 . 1 . 1 45 45 VAL CB C 13 31.592 0.013 . 1 . . 346 . . 45 VAL CB . 50206 1 192 . 1 . 1 45 45 VAL N N 15 120.457 0.06 . 1 . . 34 . . 45 VAL N . 50206 1 193 . 1 . 1 46 46 ALA H H 1 8.116 0.004 . 1 . . 69 . . 46 ALA H . 50206 1 194 . 1 . 1 46 46 ALA C C 13 180.851 . . 1 . . 250 . . 46 ALA C . 50206 1 195 . 1 . 1 46 46 ALA CA C 13 55.466 0.081 . 1 . . 246 . . 46 ALA CA . 50206 1 196 . 1 . 1 46 46 ALA CB C 13 18.044 0.01 . 1 . . 247 . . 46 ALA CB . 50206 1 197 . 1 . 1 46 46 ALA N N 15 120.329 0.008 . 1 . . 70 . . 46 ALA N . 50206 1 198 . 1 . 1 47 47 TYR H H 1 8.202 0.003 . 1 . . 131 . . 47 TYR H . 50206 1 199 . 1 . 1 47 47 TYR C C 13 176.740 . . 1 . . 249 . . 47 TYR C . 50206 1 200 . 1 . 1 47 47 TYR CA C 13 62.049 . . 1 . . 248 . . 47 TYR CA . 50206 1 201 . 1 . 1 47 47 TYR CB C 13 38.281 . . 1 . . 245 . . 47 TYR CB . 50206 1 202 . 1 . 1 47 47 TYR N N 15 121.169 0.012 . 1 . . 132 . . 47 TYR N . 50206 1 203 . 1 . 1 48 48 ALA H H 1 8.512 0.0 . 1 . . 41 . . 48 ALA H . 50206 1 204 . 1 . 1 48 48 ALA C C 13 178.850 0.026 . 1 . . 244 . . 48 ALA C . 50206 1 205 . 1 . 1 48 48 ALA CA C 13 55.500 . . 1 . . 242 . . 48 ALA CA . 50206 1 206 . 1 . 1 48 48 ALA CB C 13 19.825 0.1 . 1 . . 243 . . 48 ALA CB . 50206 1 207 . 1 . 1 48 48 ALA N N 15 122.724 0.011 . 1 . . 42 . . 48 ALA N . 50206 1 208 . 1 . 1 49 49 LYS H H 1 8.545 0.003 . 1 . . 97 . . 49 LYS H . 50206 1 209 . 1 . 1 49 49 LYS C C 13 179.820 0.011 . 1 . . 253 . . 49 LYS C . 50206 1 210 . 1 . 1 49 49 LYS CA C 13 59.672 . . 1 . . 252 . . 49 LYS CA . 50206 1 211 . 1 . 1 49 49 LYS CB C 13 32.930 0.022 . 1 . . 251 . . 49 LYS CB . 50206 1 212 . 1 . 1 49 49 LYS N N 15 116.528 0.008 . 1 . . 98 . . 49 LYS N . 50206 1 213 . 1 . 1 50 50 LYS H H 1 7.798 0.003 . 1 . . 71 . . 50 LYS H . 50206 1 214 . 1 . 1 50 50 LYS C C 13 178.381 0.01 . 1 . . 256 . . 50 LYS C . 50206 1 215 . 1 . 1 50 50 LYS CA C 13 59.266 0.053 . 1 . . 255 . . 50 LYS CA . 50206 1 216 . 1 . 1 50 50 LYS CB C 13 31.804 0.007 . 1 . . 254 . . 50 LYS CB . 50206 1 217 . 1 . 1 50 50 LYS N N 15 123.497 0.014 . 1 . . 72 . . 50 LYS N . 50206 1 218 . 1 . 1 51 51 VAL H H 1 8.124 0.003 . 1 . . 99 . . 51 VAL H . 50206 1 219 . 1 . 1 51 51 VAL C C 13 178.069 . . 1 . . 257 . . 51 VAL C . 50206 1 220 . 1 . 1 51 51 VAL CA C 13 66.093 . . 1 . . 258 . . 51 VAL CA . 50206 1 221 . 1 . 1 51 51 VAL CB C 13 31.672 . . 1 . . 259 . . 51 VAL CB . 50206 1 222 . 1 . 1 51 51 VAL N N 15 119.367 0.02 . 1 . . 100 . . 51 VAL N . 50206 1 223 . 1 . 1 52 52 GLU H H 1 8.373 0.001 . 1 . . 263 . . 52 GLU H . 50206 1 224 . 1 . 1 52 52 GLU C C 13 178.569 . . 1 . . 265 . . 52 GLU C . 50206 1 225 . 1 . 1 52 52 GLU CA C 13 61.808 0.064 . 1 . . 262 . . 52 GLU CA . 50206 1 226 . 1 . 1 52 52 GLU CB C 13 28.844 0.002 . 1 . . 261 . . 52 GLU CB . 50206 1 227 . 1 . 1 52 52 GLU N N 15 119.974 0.008 . 1 . . 264 . . 52 GLU N . 50206 1 228 . 1 . 1 53 53 GLY H H 1 8.075 0.003 . 1 . . 63 . . 53 GLY H . 50206 1 229 . 1 . 1 53 53 GLY C C 13 176.634 0.004 . 1 . . 266 . . 53 GLY C . 50206 1 230 . 1 . 1 53 53 GLY CA C 13 47.477 0.017 . 1 . . 260 . . 53 GLY CA . 50206 1 231 . 1 . 1 53 53 GLY N N 15 106.155 0.011 . 1 . . 64 . . 53 GLY N . 50206 1 232 . 1 . 1 54 54 ASP H H 1 8.411 0.002 . 1 . . 109 . . 54 ASP H . 50206 1 233 . 1 . 1 54 54 ASP C C 13 180.154 0.009 . 1 . . 269 . . 54 ASP C . 50206 1 234 . 1 . 1 54 54 ASP CA C 13 57.003 0.052 . 1 . . 268 . . 54 ASP CA . 50206 1 235 . 1 . 1 54 54 ASP CB C 13 40.088 . . 1 . . 267 . . 54 ASP CB . 50206 1 236 . 1 . 1 54 54 ASP N N 15 122.674 0.016 . 1 . . 110 . . 54 ASP N . 50206 1 237 . 1 . 1 55 55 MET H H 1 8.323 0.002 . 1 . . 9 . . 55 MET H . 50206 1 238 . 1 . 1 55 55 MET C C 13 177.787 0.005 . 1 . . 272 . . 55 MET C . 50206 1 239 . 1 . 1 55 55 MET CA C 13 57.738 0.011 . 1 . . 271 . . 55 MET CA . 50206 1 240 . 1 . 1 55 55 MET CB C 13 31.584 0.029 . 1 . . 270 . . 55 MET CB . 50206 1 241 . 1 . 1 55 55 MET N N 15 120.575 0.012 . 1 . . 10 . . 55 MET N . 50206 1 242 . 1 . 1 56 56 TYR H H 1 9.329 0.004 . 1 . . 111 . . 56 TYR H . 50206 1 243 . 1 . 1 56 56 TYR C C 13 177.456 0.009 . 1 . . 275 . . 56 TYR C . 50206 1 244 . 1 . 1 56 56 TYR CA C 13 62.333 0.06 . 1 . . 273 . . 56 TYR CA . 50206 1 245 . 1 . 1 56 56 TYR CB C 13 39.015 0.015 . 1 . . 274 . . 56 TYR CB . 50206 1 246 . 1 . 1 56 56 TYR N N 15 122.316 0.009 . 1 . . 112 . . 56 TYR N . 50206 1 247 . 1 . 1 57 57 GLU H H 1 7.886 0.003 . 1 . . 91 . . 57 GLU H . 50206 1 248 . 1 . 1 57 57 GLU C C 13 178.452 0.005 . 1 . . 278 . . 57 GLU C . 50206 1 249 . 1 . 1 57 57 GLU CA C 13 58.277 0.029 . 1 . . 277 . . 57 GLU CA . 50206 1 250 . 1 . 1 57 57 GLU CB C 13 30.223 0.003 . 1 . . 276 . . 57 GLU CB . 50206 1 251 . 1 . 1 57 57 GLU N N 15 113.323 0.008 . 1 . . 92 . . 57 GLU N . 50206 1 252 . 1 . 1 58 58 SER H H 1 7.889 0.002 . 1 . . 115 . . 58 SER H . 50206 1 253 . 1 . 1 58 58 SER C C 13 175.510 0.009 . 1 . . 161 . . 58 SER C . 50206 1 254 . 1 . 1 58 58 SER CA C 13 60.460 0.097 . 1 . . 158 . . 58 SER CA . 50206 1 255 . 1 . 1 58 58 SER CB C 13 64.598 0.003 . 1 . . 159 . . 58 SER CB . 50206 1 256 . 1 . 1 58 58 SER N N 15 112.227 0.007 . 1 . . 116 . . 58 SER N . 50206 1 257 . 1 . 1 59 59 ALA H H 1 8.316 0.003 . 1 . . 61 . . 59 ALA H . 50206 1 258 . 1 . 1 59 59 ALA C C 13 178.350 0.003 . 1 . . 160 . . 59 ALA C . 50206 1 259 . 1 . 1 59 59 ALA CA C 13 52.953 0.013 . 1 . . 157 . . 59 ALA CA . 50206 1 260 . 1 . 1 59 59 ALA CB C 13 19.479 0.016 . 1 . . 156 . . 59 ALA CB . 50206 1 261 . 1 . 1 59 59 ALA N N 15 124.110 0.006 . 1 . . 62 . . 59 ALA N . 50206 1 262 . 1 . 1 60 60 ASN H H 1 9.299 0.003 . 1 . . 47 . . 60 ASN H . 50206 1 263 . 1 . 1 60 60 ASN C C 13 173.985 0.017 . 1 . . 163 . . 60 ASN C . 50206 1 264 . 1 . 1 60 60 ASN CA C 13 53.414 0.006 . 1 . . 166 . . 60 ASN CA . 50206 1 265 . 1 . 1 60 60 ASN CB C 13 40.165 0.017 . 1 . . 162 . . 60 ASN CB . 50206 1 266 . 1 . 1 60 60 ASN N N 15 117.589 0.006 . 1 . . 48 . . 60 ASN N . 50206 1 267 . 1 . 1 61 61 SER H H 1 6.951 0.003 . 1 . . 117 . . 61 SER H . 50206 1 268 . 1 . 1 61 61 SER C C 13 171.819 . . 1 . . 167 . . 61 SER C . 50206 1 269 . 1 . 1 61 61 SER CA C 13 56.735 0.041 . 1 . . 164 . . 61 SER CA . 50206 1 270 . 1 . 1 61 61 SER CB C 13 65.127 0.015 . 1 . . 165 . . 61 SER CB . 50206 1 271 . 1 . 1 61 61 SER N N 15 112.167 0.004 . 1 . . 118 . . 61 SER N . 50206 1 272 . 1 . 1 62 62 ARG H H 1 8.760 0.003 . 1 . . 29 . . 62 ARG H . 50206 1 273 . 1 . 1 62 62 ARG C C 13 176.810 0.003 . 1 . . 170 . . 62 ARG C . 50206 1 274 . 1 . 1 62 62 ARG CA C 13 58.965 0.056 . 1 . . 168 . . 62 ARG CA . 50206 1 275 . 1 . 1 62 62 ARG CB C 13 30.373 0.003 . 1 . . 169 . . 62 ARG CB . 50206 1 276 . 1 . 1 62 62 ARG N N 15 121.950 0.014 . 1 . . 30 . . 62 ARG N . 50206 1 277 . 1 . 1 63 63 ASP H H 1 8.126 0.003 . 1 . . 27 . . 63 ASP H . 50206 1 278 . 1 . 1 63 63 ASP C C 13 178.716 0.008 . 1 . . 171 . . 63 ASP C . 50206 1 279 . 1 . 1 63 63 ASP CA C 13 57.330 0.054 . 1 . . 172 . . 63 ASP CA . 50206 1 280 . 1 . 1 63 63 ASP CB C 13 40.089 0.012 . 1 . . 173 . . 63 ASP CB . 50206 1 281 . 1 . 1 63 63 ASP N N 15 116.072 0.005 . 1 . . 28 . . 63 ASP N . 50206 1 282 . 1 . 1 64 64 GLU H H 1 7.686 0.002 . 1 . . 17 . . 64 GLU H . 50206 1 283 . 1 . 1 64 64 GLU C C 13 176.741 0.002 . 1 . . 176 . . 64 GLU C . 50206 1 284 . 1 . 1 64 64 GLU CA C 13 59.176 0.015 . 1 . . 175 . . 64 GLU CA . 50206 1 285 . 1 . 1 64 64 GLU CB C 13 30.273 0.005 . 1 . . 174 . . 64 GLU CB . 50206 1 286 . 1 . 1 64 64 GLU N N 15 120.561 0.01 . 1 . . 18 . . 64 GLU N . 50206 1 287 . 1 . 1 65 65 TYR H H 1 7.342 0.003 . 1 . . 79 . . 65 TYR H . 50206 1 288 . 1 . 1 65 65 TYR C C 13 176.180 0.002 . 1 . . 179 . . 65 TYR C . 50206 1 289 . 1 . 1 65 65 TYR CA C 13 60.877 0.012 . 1 . . 177 . . 65 TYR CA . 50206 1 290 . 1 . 1 65 65 TYR CB C 13 38.333 0.011 . 1 . . 178 . . 65 TYR CB . 50206 1 291 . 1 . 1 65 65 TYR N N 15 121.814 0.028 . 1 . . 80 . . 65 TYR N . 50206 1 292 . 1 . 1 66 66 TYR H H 1 7.658 0.003 . 1 . . 119 . . 66 TYR H . 50206 1 293 . 1 . 1 66 66 TYR C C 13 178.109 0.01 . 1 . . 349 . . 66 TYR C . 50206 1 294 . 1 . 1 66 66 TYR CA C 13 62.433 0.051 . 1 . . 348 . . 66 TYR CA . 50206 1 295 . 1 . 1 66 66 TYR CB C 13 38.490 0.003 . 1 . . 350 . . 66 TYR CB . 50206 1 296 . 1 . 1 66 66 TYR N N 15 114.614 0.008 . 1 . . 120 . . 66 TYR N . 50206 1 297 . 1 . 1 67 67 HIS H H 1 8.137 0.001 . 1 . . 355 . . 67 HIS H . 50206 1 298 . 1 . 1 67 67 HIS C C 13 176.629 0.002 . 1 . . 358 . . 67 HIS C . 50206 1 299 . 1 . 1 67 67 HIS CA C 13 60.142 0.014 . 1 . . 356 . . 67 HIS CA . 50206 1 300 . 1 . 1 67 67 HIS CB C 13 28.893 0.022 . 1 . . 357 . . 67 HIS CB . 50206 1 301 . 1 . 1 67 67 HIS N N 15 117.662 0.009 . 1 . . 354 . . 67 HIS N . 50206 1 302 . 1 . 1 68 68 LEU H H 1 9.182 0.002 . 1 . . 73 . . 68 LEU H . 50206 1 303 . 1 . 1 68 68 LEU C C 13 181.558 0.005 . 1 . . 353 . . 68 LEU C . 50206 1 304 . 1 . 1 68 68 LEU CA C 13 57.792 0.025 . 1 . . 352 . . 68 LEU CA . 50206 1 305 . 1 . 1 68 68 LEU CB C 13 42.140 0.061 . 1 . . 351 . . 68 LEU CB . 50206 1 306 . 1 . 1 68 68 LEU N N 15 118.786 0.028 . 1 . . 74 . . 68 LEU N . 50206 1 307 . 1 . 1 69 69 LEU H H 1 7.901 0.003 . 1 . . 3 . . 69 LEU H . 50206 1 308 . 1 . 1 69 69 LEU C C 13 177.761 0.011 . 1 . . 293 . . 69 LEU C . 50206 1 309 . 1 . 1 69 69 LEU CA C 13 58.172 0.014 . 1 . . 291 . . 69 LEU CA . 50206 1 310 . 1 . 1 69 69 LEU CB C 13 43.242 0.006 . 1 . . 289 . . 69 LEU CB . 50206 1 311 . 1 . 1 69 69 LEU N N 15 119.406 0.025 . 1 . . 4 . . 69 LEU N . 50206 1 312 . 1 . 1 70 70 ALA H H 1 8.155 0.003 . 1 . . 107 . . 70 ALA H . 50206 1 313 . 1 . 1 70 70 ALA C C 13 178.883 . . 1 . . 292 . . 70 ALA C . 50206 1 314 . 1 . 1 70 70 ALA CA C 13 55.835 . . 1 . . 290 . . 70 ALA CA . 50206 1 315 . 1 . 1 70 70 ALA CB C 13 20.126 . . 1 . . 288 . . 70 ALA CB . 50206 1 316 . 1 . 1 70 70 ALA N N 15 121.166 0.012 . 1 . . 108 . . 70 ALA N . 50206 1 317 . 1 . 1 71 71 GLU H H 1 8.549 0.001 . 1 . . 295 . . 71 GLU H . 50206 1 318 . 1 . 1 71 71 GLU C C 13 178.536 0.012 . 1 . . 294 . . 71 GLU C . 50206 1 319 . 1 . 1 71 71 GLU CA C 13 59.820 . . 1 . . 297 . . 71 GLU CA . 50206 1 320 . 1 . 1 71 71 GLU CB C 13 29.766 0.02 . 1 . . 298 . . 71 GLU CB . 50206 1 321 . 1 . 1 71 71 GLU N N 15 116.525 0.013 . 1 . . 296 . . 71 GLU N . 50206 1 322 . 1 . 1 72 72 LYS H H 1 7.815 0.002 . 1 . . 359 . . 72 LYS H . 50206 1 323 . 1 . 1 72 72 LYS C C 13 178.321 0.026 . 1 . . 361 . . 72 LYS C . 50206 1 324 . 1 . 1 72 72 LYS CA C 13 58.429 0.015 . 1 . . 216 . . 72 LYS CA . 50206 1 325 . 1 . 1 72 72 LYS CB C 13 31.203 0.005 . 1 . . 362 . . 72 LYS CB . 50206 1 326 . 1 . 1 72 72 LYS N N 15 119.501 0.024 . 1 . . 360 . . 72 LYS N . 50206 1 327 . 1 . 1 73 73 ILE H H 1 8.230 0.002 . 1 . . 23 . . 73 ILE H . 50206 1 328 . 1 . 1 73 73 ILE C C 13 177.282 0.003 . 1 . . 217 . . 73 ILE C . 50206 1 329 . 1 . 1 73 73 ILE CA C 13 65.091 0.072 . 1 . . 215 . . 73 ILE CA . 50206 1 330 . 1 . 1 73 73 ILE CB C 13 36.875 0.019 . 1 . . 214 . . 73 ILE CB . 50206 1 331 . 1 . 1 73 73 ILE N N 15 117.745 0.012 . 1 . . 24 . . 73 ILE N . 50206 1 332 . 1 . 1 74 74 TYR H H 1 8.483 0.003 . 1 . . 59 . . 74 TYR H . 50206 1 333 . 1 . 1 74 74 TYR C C 13 176.614 0.006 . 1 . . 220 . . 74 TYR C . 50206 1 334 . 1 . 1 74 74 TYR CA C 13 61.849 0.063 . 1 . . 219 . . 74 TYR CA . 50206 1 335 . 1 . 1 74 74 TYR CB C 13 38.801 0.009 . 1 . . 218 . . 74 TYR CB . 50206 1 336 . 1 . 1 74 74 TYR N N 15 120.333 0.009 . 1 . . 60 . . 74 TYR N . 50206 1 337 . 1 . 1 75 75 LYS H H 1 8.203 0.004 . 1 . . 5 . . 75 LYS H . 50206 1 338 . 1 . 1 75 75 LYS C C 13 179.723 0.007 . 1 . . 223 . . 75 LYS C . 50206 1 339 . 1 . 1 75 75 LYS CA C 13 60.007 0.014 . 1 . . 222 . . 75 LYS CA . 50206 1 340 . 1 . 1 75 75 LYS CB C 13 32.685 0.024 . 1 . . 221 . . 75 LYS CB . 50206 1 341 . 1 . 1 75 75 LYS N N 15 117.897 0.023 . 1 . . 6 . . 75 LYS N . 50206 1 342 . 1 . 1 76 76 ILE H H 1 8.230 0.003 . 1 . . 49 . . 76 ILE H . 50206 1 343 . 1 . 1 76 76 ILE C C 13 177.619 0.012 . 1 . . 226 . . 76 ILE C . 50206 1 344 . 1 . 1 76 76 ILE CA C 13 65.943 0.026 . 1 . . 225 . . 76 ILE CA . 50206 1 345 . 1 . 1 76 76 ILE CB C 13 38.423 0.049 . 1 . . 224 . . 76 ILE CB . 50206 1 346 . 1 . 1 76 76 ILE N N 15 120.390 0.011 . 1 . . 50 . . 76 ILE N . 50206 1 347 . 1 . 1 77 77 GLN H H 1 8.817 0.003 . 1 . . 87 . . 77 GLN H . 50206 1 348 . 1 . 1 77 77 GLN C C 13 179.568 0.016 . 1 . . 229 . . 77 GLN C . 50206 1 349 . 1 . 1 77 77 GLN CA C 13 59.945 0.018 . 1 . . 228 . . 77 GLN CA . 50206 1 350 . 1 . 1 77 77 GLN CB C 13 27.606 0.005 . 1 . . 227 . . 77 GLN CB . 50206 1 351 . 1 . 1 77 77 GLN N N 15 118.495 0.007 . 1 . . 88 . . 77 GLN N . 50206 1 352 . 1 . 1 78 78 LYS H H 1 8.387 0.003 . 1 . . 13 . . 78 LYS H . 50206 1 353 . 1 . 1 78 78 LYS C C 13 179.118 0.006 . 1 . . 232 . . 78 LYS C . 50206 1 354 . 1 . 1 78 78 LYS CA C 13 57.872 0.014 . 1 . . 230 . . 78 LYS CA . 50206 1 355 . 1 . 1 78 78 LYS CB C 13 30.957 0.034 . 1 . . 231 . . 78 LYS CB . 50206 1 356 . 1 . 1 78 78 LYS N N 15 119.264 0.01 . 1 . . 14 . . 78 LYS N . 50206 1 357 . 1 . 1 79 79 GLU H H 1 8.016 0.003 . 1 . . 127 . . 79 GLU H . 50206 1 358 . 1 . 1 79 79 GLU C C 13 179.378 0.011 . 1 . . 235 . . 79 GLU C . 50206 1 359 . 1 . 1 79 79 GLU CA C 13 60.012 0.036 . 1 . . 234 . . 79 GLU CA . 50206 1 360 . 1 . 1 79 79 GLU CB C 13 29.519 0.024 . 1 . . 233 . . 79 GLU CB . 50206 1 361 . 1 . 1 79 79 GLU N N 15 121.560 0.014 . 1 . . 128 . . 79 GLU N . 50206 1 362 . 1 . 1 80 80 LEU H H 1 8.382 0.004 . 1 . . 75 . . 80 LEU H . 50206 1 363 . 1 . 1 80 80 LEU C C 13 178.523 0.002 . 1 . . 236 . . 80 LEU C . 50206 1 364 . 1 . 1 80 80 LEU CA C 13 58.479 0.013 . 1 . . 237 . . 80 LEU CA . 50206 1 365 . 1 . 1 80 80 LEU CB C 13 41.698 0.008 . 1 . . 238 . . 80 LEU CB . 50206 1 366 . 1 . 1 80 80 LEU N N 15 120.051 0.039 . 1 . . 76 . . 80 LEU N . 50206 1 367 . 1 . 1 81 81 GLU H H 1 8.105 0.003 . 1 . . 81 . . 81 GLU H . 50206 1 368 . 1 . 1 81 81 GLU C C 13 179.040 . . 1 . . 241 . . 81 GLU C . 50206 1 369 . 1 . 1 81 81 GLU CA C 13 59.357 . . 1 . . 239 . . 81 GLU CA . 50206 1 370 . 1 . 1 81 81 GLU CB C 13 29.377 . . 1 . . 240 . . 81 GLU CB . 50206 1 371 . 1 . 1 81 81 GLU N N 15 118.781 0.024 . 1 . . 82 . . 81 GLU N . 50206 1 372 . 1 . 1 82 82 GLU H H 1 8.166 0.0 . 1 . . 39 . . 82 GLU H . 50206 1 373 . 1 . 1 82 82 GLU C C 13 179.719 . . 1 . . 385 . . 82 GLU C . 50206 1 374 . 1 . 1 82 82 GLU CA C 13 59.376 . . 1 . . 386 . . 82 GLU CA . 50206 1 375 . 1 . 1 82 82 GLU CB C 13 29.402 . . 1 . . 387 . . 82 GLU CB . 50206 1 376 . 1 . 1 82 82 GLU N N 15 119.222 0.013 . 1 . . 40 . . 82 GLU N . 50206 1 377 . 1 . 1 83 83 LYS H H 1 8.134 0.001 . 1 . . 381 . . 83 LYS H . 50206 1 378 . 1 . 1 83 83 LYS C C 13 179.718 . . 1 . . 383 . . 83 LYS C . 50206 1 379 . 1 . 1 83 83 LYS CA C 13 58.107 . . 1 . . 384 . . 83 LYS CA . 50206 1 380 . 1 . 1 83 83 LYS CB C 13 31.909 . . 1 . . 380 . . 83 LYS CB . 50206 1 381 . 1 . 1 83 83 LYS N N 15 120.353 0.012 . 1 . . 382 . . 83 LYS N . 50206 1 382 . 1 . 1 84 84 ARG H H 1 8.400 0.001 . 1 . . 375 . . 84 ARG H . 50206 1 383 . 1 . 1 84 84 ARG C C 13 178.455 0.01 . 1 . . 377 . . 84 ARG C . 50206 1 384 . 1 . 1 84 84 ARG CA C 13 59.430 0.039 . 1 . . 378 . . 84 ARG CA . 50206 1 385 . 1 . 1 84 84 ARG CB C 13 30.467 . . 1 . . 379 . . 84 ARG CB . 50206 1 386 . 1 . 1 84 84 ARG N N 15 120.351 0.061 . 1 . . 376 . . 84 ARG N . 50206 1 387 . 1 . 1 85 85 ARG H H 1 7.774 0.002 . 1 . . 89 . . 85 ARG H . 50206 1 388 . 1 . 1 85 85 ARG C C 13 177.210 0.002 . 1 . . 373 . . 85 ARG C . 50206 1 389 . 1 . 1 85 85 ARG CA C 13 57.619 0.03 . 1 . . 372 . . 85 ARG CA . 50206 1 390 . 1 . 1 85 85 ARG CB C 13 30.447 0.007 . 1 . . 374 . . 85 ARG CB . 50206 1 391 . 1 . 1 85 85 ARG N N 15 116.812 0.01 . 1 . . 90 . . 85 ARG N . 50206 1 392 . 1 . 1 86 86 SER H H 1 7.806 0.002 . 1 . . 105 . . 86 SER H . 50206 1 393 . 1 . 1 86 86 SER C C 13 174.323 0.014 . 1 . . 281 . . 86 SER C . 50206 1 394 . 1 . 1 86 86 SER CA C 13 59.351 0.023 . 1 . . 280 . . 86 SER CA . 50206 1 395 . 1 . 1 86 86 SER CB C 13 63.726 0.017 . 1 . . 279 . . 86 SER CB . 50206 1 396 . 1 . 1 86 86 SER N N 15 114.691 0.004 . 1 . . 106 . . 86 SER N . 50206 1 397 . 1 . 1 87 87 ARG H H 1 7.857 0.003 . 1 . . 123 . . 87 ARG H . 50206 1 398 . 1 . 1 87 87 ARG C C 13 175.170 0.002 . 1 . . 284 . . 87 ARG C . 50206 1 399 . 1 . 1 87 87 ARG CA C 13 56.305 0.008 . 1 . . 283 . . 87 ARG CA . 50206 1 400 . 1 . 1 87 87 ARG CB C 13 30.418 0.007 . 1 . . 282 . . 87 ARG CB . 50206 1 401 . 1 . 1 87 87 ARG N N 15 121.663 0.012 . 1 . . 124 . . 87 ARG N . 50206 1 402 . 1 . 1 88 88 LEU H H 1 7.684 0.002 . 1 . . 121 . . 88 LEU H . 50206 1 403 . 1 . 1 88 88 LEU C C 13 182.435 . . 1 . . 287 . . 88 LEU C . 50206 1 404 . 1 . 1 88 88 LEU CA C 13 56.689 . . 1 . . 285 . . 88 LEU CA . 50206 1 405 . 1 . 1 88 88 LEU CB C 13 43.427 . . 1 . . 286 . . 88 LEU CB . 50206 1 406 . 1 . 1 88 88 LEU N N 15 128.042 0.014 . 1 . . 122 . . 88 LEU N . 50206 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50206 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'MLLMyb with unlabelled KIX' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '2D 1H-15N HSQC' . . . 50206 2 7 '3D CBCA(CO)NH' . . . 50206 2 8 '3D HNCACB' . . . 50206 2 9 '3D HNCO' . . . 50206 2 10 '3D HCACO' . . . 50206 2 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 2 $software_2 . . 50206 2 3 $software_3 . . 50206 2 4 $software_4 . . 50206 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 3 3 SER C C 13 174.434 0.042 . 1 . . 214 . . 3 SER C . 50206 2 2 . 2 . 2 3 3 SER CA C 13 58.616 0.055 . 1 . . 188 . . 3 SER CA . 50206 2 3 . 2 . 2 3 3 SER CB C 13 63.606 0.015 . 1 . . 189 . . 3 SER CB . 50206 2 4 . 2 . 2 4 4 ASP H H 1 8.269 0.001 . 1 . . 141 . . 4 ASP H . 50206 2 5 . 2 . 2 4 4 ASP C C 13 176.033 0.025 . 1 . . 213 . . 4 ASP C . 50206 2 6 . 2 . 2 4 4 ASP CA C 13 54.529 0.011 . 1 . . 187 . . 4 ASP CA . 50206 2 7 . 2 . 2 4 4 ASP CB C 13 41.261 0.026 . 1 . . 186 . . 4 ASP CB . 50206 2 8 . 2 . 2 4 4 ASP N N 15 121.896 0.007 . 1 . . 142 . . 4 ASP N . 50206 2 9 . 2 . 2 5 5 ASP H H 1 8.157 0.001 . 1 . . 41 . . 5 ASP H . 50206 2 10 . 2 . 2 5 5 ASP C C 13 176.809 0.006 . 1 . . 215 . . 5 ASP C . 50206 2 11 . 2 . 2 5 5 ASP CA C 13 54.651 0.02 . 1 . . 191 . . 5 ASP CA . 50206 2 12 . 2 . 2 5 5 ASP CB C 13 41.179 0.032 . 1 . . 190 . . 5 ASP CB . 50206 2 13 . 2 . 2 5 5 ASP N N 15 120.716 0.002 . 1 . . 42 . . 5 ASP N . 50206 2 14 . 2 . 2 6 6 GLY H H 1 8.369 0.002 . 1 . . 69 . . 6 GLY H . 50206 2 15 . 2 . 2 6 6 GLY C C 13 174.071 0.015 . 1 . . 216 . . 6 GLY C . 50206 2 16 . 2 . 2 6 6 GLY CA C 13 45.432 0.028 . 1 . . 165 . . 6 GLY CA . 50206 2 17 . 2 . 2 6 6 GLY N N 15 108.925 0.006 . 1 . . 70 . . 6 GLY N . 50206 2 18 . 2 . 2 7 7 ASN H H 1 8.246 0.001 . 1 . . 91 . . 7 ASN H . 50206 2 19 . 2 . 2 7 7 ASN HD21 H 1 7.640 . . 1 . . 272 . . 7 ASN HD21 . 50206 2 20 . 2 . 2 7 7 ASN HD22 H 1 7.032 . . 1 . . 274 . . 7 ASN HD22 . 50206 2 21 . 2 . 2 7 7 ASN C C 13 175.547 0.026 . 1 . . 217 . . 7 ASN C . 50206 2 22 . 2 . 2 7 7 ASN CA C 13 53.164 0.013 . 1 . . 163 . . 7 ASN CA . 50206 2 23 . 2 . 2 7 7 ASN CB C 13 39.266 0.009 . 1 . . 164 . . 7 ASN CB . 50206 2 24 . 2 . 2 7 7 ASN N N 15 118.937 0.007 . 1 . . 92 . . 7 ASN N . 50206 2 25 . 2 . 2 7 7 ASN ND2 N 15 113.377 0.001 . 1 . . 273 . . 7 ASN ND2 . 50206 2 26 . 2 . 2 8 8 ILE H H 1 9.849 0.002 . 1 . . 167 . . 8 ILE H . 50206 2 27 . 2 . 2 8 8 ILE C C 13 176.986 0.027 . 1 . . 218 . . 8 ILE C . 50206 2 28 . 2 . 2 8 8 ILE CA C 13 62.679 0.028 . 1 . . 168 . . 8 ILE CA . 50206 2 29 . 2 . 2 8 8 ILE CB C 13 38.621 0.02 . 1 . . 169 . . 8 ILE CB . 50206 2 30 . 2 . 2 8 8 ILE N N 15 124.431 0.012 . 1 . . 166 . . 8 ILE N . 50206 2 31 . 2 . 2 9 9 LEU H H 1 9.071 0.002 . 1 . . 27 . . 9 LEU H . 50206 2 32 . 2 . 2 9 9 LEU C C 13 174.235 . . 1 . . 219 . . 9 LEU C . 50206 2 33 . 2 . 2 9 9 LEU CA C 13 52.461 . . 1 . . 211 . . 9 LEU CA . 50206 2 34 . 2 . 2 9 9 LEU CB C 13 43.301 . . 1 . . 212 . . 9 LEU CB . 50206 2 35 . 2 . 2 9 9 LEU N N 15 125.708 0.012 . 1 . . 28 . . 9 LEU N . 50206 2 36 . 2 . 2 10 10 PRO C C 13 178.208 . . 1 . . 220 . . 10 PRO C . 50206 2 37 . 2 . 2 10 10 PRO CA C 13 62.763 0.046 . 1 . . 210 . . 10 PRO CA . 50206 2 38 . 2 . 2 10 10 PRO CB C 13 32.810 . . 1 . . 209 . . 10 PRO CB . 50206 2 39 . 2 . 2 11 11 SER H H 1 8.899 0.004 . 1 . . 95 . . 11 SER H . 50206 2 40 . 2 . 2 11 11 SER C C 13 175.810 . . 1 . . 221 . . 11 SER C . 50206 2 41 . 2 . 2 11 11 SER CA C 13 62.612 0.013 . 1 . . 208 . . 11 SER CA . 50206 2 42 . 2 . 2 11 11 SER N N 15 119.872 0.01 . 1 . . 96 . . 11 SER N . 50206 2 43 . 2 . 2 12 12 ASP H H 1 8.958 0.003 . 1 . . 29 . . 12 ASP H . 50206 2 44 . 2 . 2 12 12 ASP C C 13 178.929 0.011 . 1 . . 222 . . 12 ASP C . 50206 2 45 . 2 . 2 12 12 ASP CA C 13 56.639 0.021 . 1 . . 206 . . 12 ASP CA . 50206 2 46 . 2 . 2 12 12 ASP CB C 13 39.486 0.02 . 1 . . 170 . . 12 ASP CB . 50206 2 47 . 2 . 2 12 12 ASP N N 15 119.614 0.013 . 1 . . 30 . . 12 ASP N . 50206 2 48 . 2 . 2 13 13 ILE H H 1 7.264 0.003 . 1 . . 31 . . 13 ILE H . 50206 2 49 . 2 . 2 13 13 ILE C C 13 177.114 0.008 . 1 . . 223 . . 13 ILE C . 50206 2 50 . 2 . 2 13 13 ILE CA C 13 63.965 0.011 . 1 . . 205 . . 13 ILE CA . 50206 2 51 . 2 . 2 13 13 ILE CB C 13 37.591 0.03 . 1 . . 204 . . 13 ILE CB . 50206 2 52 . 2 . 2 13 13 ILE N N 15 120.885 0.009 . 1 . . 32 . . 13 ILE N . 50206 2 53 . 2 . 2 14 14 MET H H 1 8.329 0.003 . 1 . . 59 . . 14 MET H . 50206 2 54 . 2 . 2 14 14 MET C C 13 176.972 0.054 . 1 . . 224 . . 14 MET C . 50206 2 55 . 2 . 2 14 14 MET CA C 13 59.773 0.026 . 1 . . 202 . . 14 MET CA . 50206 2 56 . 2 . 2 14 14 MET CB C 13 32.484 0.088 . 1 . . 203 . . 14 MET CB . 50206 2 57 . 2 . 2 14 14 MET N N 15 119.993 0.012 . 1 . . 60 . . 14 MET N . 50206 2 58 . 2 . 2 15 15 ASP H H 1 8.148 0.002 . 1 . . 35 . . 15 ASP H . 50206 2 59 . 2 . 2 15 15 ASP C C 13 177.539 0.014 . 1 . . 225 . . 15 ASP C . 50206 2 60 . 2 . 2 15 15 ASP CA C 13 57.864 0.018 . 1 . . 201 . . 15 ASP CA . 50206 2 61 . 2 . 2 15 15 ASP CB C 13 41.442 0.033 . 1 . . 200 . . 15 ASP CB . 50206 2 62 . 2 . 2 15 15 ASP N N 15 117.058 0.018 . 1 . . 36 . . 15 ASP N . 50206 2 63 . 2 . 2 16 16 PHE H H 1 7.310 0.002 . 1 . . 97 . . 16 PHE H . 50206 2 64 . 2 . 2 16 16 PHE C C 13 176.822 0.013 . 1 . . 226 . . 16 PHE C . 50206 2 65 . 2 . 2 16 16 PHE CA C 13 59.795 0.013 . 1 . . 198 . . 16 PHE CA . 50206 2 66 . 2 . 2 16 16 PHE CB C 13 39.834 0.055 . 1 . . 199 . . 16 PHE CB . 50206 2 67 . 2 . 2 16 16 PHE N N 15 119.045 0.013 . 1 . . 98 . . 16 PHE N . 50206 2 68 . 2 . 2 17 17 VAL H H 1 8.292 0.002 . 1 . . 15 . . 17 VAL H . 50206 2 69 . 2 . 2 17 17 VAL C C 13 179.740 0.006 . 1 . . 227 . . 17 VAL C . 50206 2 70 . 2 . 2 17 17 VAL CA C 13 66.263 0.046 . 1 . . 194 . . 17 VAL CA . 50206 2 71 . 2 . 2 17 17 VAL CB C 13 31.667 0.016 . 1 . . 195 . . 17 VAL CB . 50206 2 72 . 2 . 2 17 17 VAL N N 15 118.720 0.032 . 1 . . 16 . . 17 VAL N . 50206 2 73 . 2 . 2 18 18 LEU H H 1 8.624 0.002 . 1 . . 19 . . 18 LEU H . 50206 2 74 . 2 . 2 18 18 LEU C C 13 179.660 0.047 . 1 . . 228 . . 18 LEU C . 50206 2 75 . 2 . 2 18 18 LEU CA C 13 58.105 0.002 . 1 . . 197 . . 18 LEU CA . 50206 2 76 . 2 . 2 18 18 LEU CB C 13 42.000 0.082 . 1 . . 196 . . 18 LEU CB . 50206 2 77 . 2 . 2 18 18 LEU N N 15 120.605 0.016 . 1 . . 20 . . 18 LEU N . 50206 2 78 . 2 . 2 19 19 LYS H H 1 7.849 0.002 . 1 . . 5 . . 19 LYS H . 50206 2 79 . 2 . 2 19 19 LYS C C 13 177.158 0.033 . 1 . . 229 . . 19 LYS C . 50206 2 80 . 2 . 2 19 19 LYS CA C 13 57.995 0.016 . 1 . . 207 . . 19 LYS CA . 50206 2 81 . 2 . 2 19 19 LYS CB C 13 32.705 0.054 . 1 . . 105 . . 19 LYS CB . 50206 2 82 . 2 . 2 19 19 LYS N N 15 115.942 0.018 . 1 . . 6 . . 19 LYS N . 50206 2 83 . 2 . 2 20 20 ASN H H 1 7.008 0.004 . 1 . . 103 . . 20 ASN H . 50206 2 84 . 2 . 2 20 20 ASN C C 13 173.313 0.022 . 1 . . 230 . . 20 ASN C . 50206 2 85 . 2 . 2 20 20 ASN CA C 13 53.786 0.024 . 1 . . 101 . . 20 ASN CA . 50206 2 86 . 2 . 2 20 20 ASN CB C 13 42.126 0.061 . 1 . . 102 . . 20 ASN CB . 50206 2 87 . 2 . 2 20 20 ASN N N 15 113.850 0.011 . 1 . . 104 . . 20 ASN N . 50206 2 88 . 2 . 2 21 21 THR H H 1 7.269 0.003 . 1 . . 67 . . 21 THR H . 50206 2 89 . 2 . 2 21 21 THR C C 13 172.453 . . 1 . . 231 . . 21 THR C . 50206 2 90 . 2 . 2 21 21 THR CA C 13 58.742 . . 1 . . 99 . . 21 THR CA . 50206 2 91 . 2 . 2 21 21 THR CB C 13 70.665 . . 1 . . 100 . . 21 THR CB . 50206 2 92 . 2 . 2 21 21 THR N N 15 110.720 0.018 . 1 . . 68 . . 21 THR N . 50206 2 93 . 2 . 2 22 22 PRO C C 13 176.830 0.018 . 1 . . 233 . . 22 PRO C . 50206 2 94 . 2 . 2 22 22 PRO CA C 13 62.930 . . 1 . . 192 . . 22 PRO CA . 50206 2 95 . 2 . 2 22 22 PRO CB C 13 32.267 0.084 . 1 . . 193 . . 22 PRO CB . 50206 2 96 . 2 . 2 23 23 SER H H 1 8.300 0.002 . 1 . . 75 . . 23 SER H . 50206 2 97 . 2 . 2 23 23 SER C C 13 174.579 0.036 . 1 . . 232 . . 23 SER C . 50206 2 98 . 2 . 2 23 23 SER CA C 13 58.640 0.02 . 1 . . 184 . . 23 SER CA . 50206 2 99 . 2 . 2 23 23 SER CB C 13 63.521 0.082 . 1 . . 185 . . 23 SER CB . 50206 2 100 . 2 . 2 23 23 SER N N 15 113.979 0.018 . 1 . . 76 . . 23 SER N . 50206 2 101 . 2 . 2 24 24 MET H H 1 8.184 0.003 . 1 . . 25 . . 24 MET H . 50206 2 102 . 2 . 2 24 24 MET C C 13 175.788 0.007 . 1 . . 234 . . 24 MET C . 50206 2 103 . 2 . 2 24 24 MET CA C 13 55.311 0.01 . 1 . . 182 . . 24 MET CA . 50206 2 104 . 2 . 2 24 24 MET CB C 13 33.660 0.034 . 1 . . 183 . . 24 MET CB . 50206 2 105 . 2 . 2 24 24 MET N N 15 122.650 0.006 . 1 . . 26 . . 24 MET N . 50206 2 106 . 2 . 2 25 25 GLN H H 1 8.382 0.001 . 1 . . 55 . . 25 GLN H . 50206 2 107 . 2 . 2 25 25 GLN C C 13 175.571 0.046 . 1 . . 235 . . 25 GLN C . 50206 2 108 . 2 . 2 25 25 GLN CA C 13 56.031 0.025 . 1 . . 181 . . 25 GLN CA . 50206 2 109 . 2 . 2 25 25 GLN CB C 13 29.541 0.04 . 1 . . 180 . . 25 GLN CB . 50206 2 110 . 2 . 2 25 25 GLN N N 15 122.035 0.013 . 1 . . 56 . . 25 GLN N . 50206 2 111 . 2 . 2 26 26 ALA H H 1 8.432 0.0 . 1 . . 45 . . 26 ALA H . 50206 2 112 . 2 . 2 26 26 ALA C C 13 177.718 0.008 . 1 . . 236 . . 26 ALA C . 50206 2 113 . 2 . 2 26 26 ALA CA C 13 52.400 0.012 . 1 . . 179 . . 26 ALA CA . 50206 2 114 . 2 . 2 26 26 ALA CB C 13 19.182 0.037 . 1 . . 178 . . 26 ALA CB . 50206 2 115 . 2 . 2 26 26 ALA N N 15 126.018 0.005 . 1 . . 46 . . 26 ALA N . 50206 2 116 . 2 . 2 27 27 LEU H H 1 8.513 0.001 . 1 . . 39 . . 27 LEU H . 50206 2 117 . 2 . 2 27 27 LEU C C 13 178.135 0.027 . 1 . . 237 . . 27 LEU C . 50206 2 118 . 2 . 2 27 27 LEU CA C 13 55.439 0.004 . 1 . . 176 . . 27 LEU CA . 50206 2 119 . 2 . 2 27 27 LEU CB C 13 42.841 0.043 . 1 . . 177 . . 27 LEU CB . 50206 2 120 . 2 . 2 27 27 LEU N N 15 122.543 0.011 . 1 . . 40 . . 27 LEU N . 50206 2 121 . 2 . 2 28 28 GLY H H 1 8.457 0.0 . 1 . . 21 . . 28 GLY H . 50206 2 122 . 2 . 2 28 28 GLY C C 13 173.952 0.009 . 1 . . 238 . . 28 GLY C . 50206 2 123 . 2 . 2 28 28 GLY CA C 13 45.130 0.047 . 1 . . 173 . . 28 GLY CA . 50206 2 124 . 2 . 2 28 28 GLY N N 15 109.160 0.006 . 1 . . 22 . . 28 GLY N . 50206 2 125 . 2 . 2 29 29 GLU H H 1 8.394 0.002 . 1 . . 85 . . 29 GLU H . 50206 2 126 . 2 . 2 29 29 GLU C C 13 176.312 0.005 . 1 . . 239 . . 29 GLU C . 50206 2 127 . 2 . 2 29 29 GLU CA C 13 56.243 0.01 . 1 . . 172 . . 29 GLU CA . 50206 2 128 . 2 . 2 29 29 GLU CB C 13 31.053 0.022 . 1 . . 171 . . 29 GLU CB . 50206 2 129 . 2 . 2 29 29 GLU N N 15 120.142 0.025 . 1 . . 86 . . 29 GLU N . 50206 2 130 . 2 . 2 30 30 SER H H 1 8.400 0.001 . 1 . . 33 . . 30 SER H . 50206 2 131 . 2 . 2 30 30 SER C C 13 173.530 . . 1 . . 240 . . 30 SER C . 50206 2 132 . 2 . 2 30 30 SER CA C 13 56.317 . . 1 . . 175 . . 30 SER CA . 50206 2 133 . 2 . 2 30 30 SER CB C 13 63.496 . . 1 . . 174 . . 30 SER CB . 50206 2 134 . 2 . 2 30 30 SER N N 15 118.263 0.011 . 1 . . 34 . . 30 SER N . 50206 2 135 . 2 . 2 31 31 PRO C C 13 178.197 0.03 . 1 . . 241 . . 31 PRO C . 50206 2 136 . 2 . 2 31 31 PRO CA C 13 64.629 0.005 . 1 . . 162 . . 31 PRO CA . 50206 2 137 . 2 . 2 31 31 PRO CB C 13 31.946 0.106 . 1 . . 161 . . 31 PRO CB . 50206 2 138 . 2 . 2 32 32 GLU H H 1 8.699 0.001 . 1 . . 61 . . 32 GLU H . 50206 2 139 . 2 . 2 32 32 GLU C C 13 177.590 0.014 . 1 . . 242 . . 32 GLU C . 50206 2 140 . 2 . 2 32 32 GLU CA C 13 58.100 0.015 . 1 . . 160 . . 32 GLU CA . 50206 2 141 . 2 . 2 32 32 GLU CB C 13 29.799 0.06 . 1 . . 159 . . 32 GLU CB . 50206 2 142 . 2 . 2 32 32 GLU N N 15 119.148 0.013 . 1 . . 62 . . 32 GLU N . 50206 2 143 . 2 . 2 33 33 SER H H 1 8.267 0.001 . 1 . . 57 . . 33 SER H . 50206 2 144 . 2 . 2 33 33 SER C C 13 175.490 0.01 . 1 . . 243 . . 33 SER C . 50206 2 145 . 2 . 2 33 33 SER CA C 13 59.614 0.011 . 1 . . 157 . . 33 SER CA . 50206 2 146 . 2 . 2 33 33 SER CB C 13 63.538 0.024 . 1 . . 158 . . 33 SER CB . 50206 2 147 . 2 . 2 33 33 SER N N 15 117.556 0.015 . 1 . . 58 . . 33 SER N . 50206 2 148 . 2 . 2 34 34 LYS H H 1 8.260 0.003 . 1 . . 89 . . 34 LYS H . 50206 2 149 . 2 . 2 34 34 LYS C C 13 177.015 0.017 . 1 . . 244 . . 34 LYS C . 50206 2 150 . 2 . 2 34 34 LYS CA C 13 59.962 0.04 . 1 . . 156 . . 34 LYS CA . 50206 2 151 . 2 . 2 34 34 LYS CB C 13 32.282 0.034 . 1 . . 155 . . 34 LYS CB . 50206 2 152 . 2 . 2 34 34 LYS N N 15 125.073 0.033 . 1 . . 90 . . 34 LYS N . 50206 2 153 . 2 . 2 35 35 GLU H H 1 8.236 0.002 . 1 . . 79 . . 35 GLU H . 50206 2 154 . 2 . 2 35 35 GLU C C 13 179.429 0.022 . 1 . . 245 . . 35 GLU C . 50206 2 155 . 2 . 2 35 35 GLU CA C 13 59.858 0.022 . 1 . . 154 . . 35 GLU CA . 50206 2 156 . 2 . 2 35 35 GLU CB C 13 29.095 0.051 . 1 . . 153 . . 35 GLU CB . 50206 2 157 . 2 . 2 35 35 GLU N N 15 116.773 0.004 . 1 . . 80 . . 35 GLU N . 50206 2 158 . 2 . 2 36 36 LYS H H 1 7.750 0.003 . 1 . . 53 . . 36 LYS H . 50206 2 159 . 2 . 2 36 36 LYS C C 13 178.776 0.012 . 1 . . 246 . . 36 LYS C . 50206 2 160 . 2 . 2 36 36 LYS CA C 13 59.430 0.062 . 1 . . 152 . . 36 LYS CA . 50206 2 161 . 2 . 2 36 36 LYS CB C 13 32.756 0.05 . 1 . . 151 . . 36 LYS CB . 50206 2 162 . 2 . 2 36 36 LYS N N 15 119.297 0.032 . 1 . . 54 . . 36 LYS N . 50206 2 163 . 2 . 2 37 37 ARG H H 1 8.130 0.002 . 1 . . 93 . . 37 ARG H . 50206 2 164 . 2 . 2 37 37 ARG C C 13 179.013 0.014 . 1 . . 247 . . 37 ARG C . 50206 2 165 . 2 . 2 37 37 ARG CA C 13 58.193 0.008 . 1 . . 149 . . 37 ARG CA . 50206 2 166 . 2 . 2 37 37 ARG CB C 13 29.733 . . 1 . . 150 . . 37 ARG CB . 50206 2 167 . 2 . 2 37 37 ARG N N 15 119.786 0.021 . 1 . . 94 . . 37 ARG N . 50206 2 168 . 2 . 2 38 38 ILE H H 1 8.554 0.002 . 1 . . 13 . . 38 ILE H . 50206 2 169 . 2 . 2 38 38 ILE C C 13 177.571 0.004 . 1 . . 248 . . 38 ILE C . 50206 2 170 . 2 . 2 38 38 ILE CA C 13 65.580 0.001 . 1 . . 147 . . 38 ILE CA . 50206 2 171 . 2 . 2 38 38 ILE CB C 13 36.841 0.049 . 1 . . 148 . . 38 ILE CB . 50206 2 172 . 2 . 2 38 38 ILE N N 15 119.719 0.025 . 1 . . 14 . . 38 ILE N . 50206 2 173 . 2 . 2 39 39 LYS H H 1 7.758 0.003 . 1 . . 9 . . 39 LYS H . 50206 2 174 . 2 . 2 39 39 LYS C C 13 179.036 0.016 . 1 . . 249 . . 39 LYS C . 50206 2 175 . 2 . 2 39 39 LYS CA C 13 58.995 0.014 . 1 . . 146 . . 39 LYS CA . 50206 2 176 . 2 . 2 39 39 LYS CB C 13 31.527 0.083 . 1 . . 145 . . 39 LYS CB . 50206 2 177 . 2 . 2 39 39 LYS N N 15 119.671 0.016 . 1 . . 10 . . 39 LYS N . 50206 2 178 . 2 . 2 40 40 GLU H H 1 8.080 0.002 . 1 . . 7 . . 40 GLU H . 50206 2 179 . 2 . 2 40 40 GLU C C 13 180.184 0.037 . 1 . . 250 . . 40 GLU C . 50206 2 180 . 2 . 2 40 40 GLU CA C 13 59.842 0.012 . 1 . . 143 . . 40 GLU CA . 50206 2 181 . 2 . 2 40 40 GLU CB C 13 29.682 0.009 . 1 . . 144 . . 40 GLU CB . 50206 2 182 . 2 . 2 40 40 GLU N N 15 118.854 0.02 . 1 . . 8 . . 40 GLU N . 50206 2 183 . 2 . 2 41 41 LEU H H 1 8.285 0.004 . 1 . . 77 . . 41 LEU H . 50206 2 184 . 2 . 2 41 41 LEU C C 13 178.560 0.022 . 1 . . 251 . . 41 LEU C . 50206 2 185 . 2 . 2 41 41 LEU CA C 13 57.919 0.041 . 1 . . 139 . . 41 LEU CA . 50206 2 186 . 2 . 2 41 41 LEU CB C 13 43.599 0.052 . 1 . . 140 . . 41 LEU CB . 50206 2 187 . 2 . 2 41 41 LEU N N 15 121.859 0.026 . 1 . . 78 . . 41 LEU N . 50206 2 188 . 2 . 2 42 42 GLU H H 1 8.860 0.001 . 1 . . 63 . . 42 GLU H . 50206 2 189 . 2 . 2 42 42 GLU C C 13 178.544 0.015 . 1 . . 252 . . 42 GLU C . 50206 2 190 . 2 . 2 42 42 GLU CA C 13 61.044 0.007 . 1 . . 137 . . 42 GLU CA . 50206 2 191 . 2 . 2 42 42 GLU CB C 13 30.108 0.022 . 1 . . 138 . . 42 GLU CB . 50206 2 192 . 2 . 2 42 42 GLU N N 15 120.918 0.009 . 1 . . 64 . . 42 GLU N . 50206 2 193 . 2 . 2 43 43 LEU H H 1 7.953 0.002 . 1 . . 23 . . 43 LEU H . 50206 2 194 . 2 . 2 43 43 LEU C C 13 180.201 0.003 . 1 . . 253 . . 43 LEU C . 50206 2 195 . 2 . 2 43 43 LEU CA C 13 58.177 0.021 . 1 . . 135 . . 43 LEU CA . 50206 2 196 . 2 . 2 43 43 LEU CB C 13 41.528 0.014 . 1 . . 136 . . 43 LEU CB . 50206 2 197 . 2 . 2 43 43 LEU N N 15 118.374 0.017 . 1 . . 24 . . 43 LEU N . 50206 2 198 . 2 . 2 44 44 LEU H H 1 8.021 0.002 . 1 . . 73 . . 44 LEU H . 50206 2 199 . 2 . 2 44 44 LEU C C 13 180.218 0.009 . 1 . . 254 . . 44 LEU C . 50206 2 200 . 2 . 2 44 44 LEU CA C 13 58.237 0.007 . 1 . . 134 . . 44 LEU CA . 50206 2 201 . 2 . 2 44 44 LEU CB C 13 41.988 0.031 . 1 . . 133 . . 44 LEU CB . 50206 2 202 . 2 . 2 44 44 LEU N N 15 122.737 0.008 . 1 . . 74 . . 44 LEU N . 50206 2 203 . 2 . 2 45 45 LEU H H 1 8.420 0.001 . 1 . . 47 . . 45 LEU H . 50206 2 204 . 2 . 2 45 45 LEU C C 13 180.036 0.028 . 1 . . 255 . . 45 LEU C . 50206 2 205 . 2 . 2 45 45 LEU CA C 13 58.205 0.022 . 1 . . 131 . . 45 LEU CA . 50206 2 206 . 2 . 2 45 45 LEU CB C 13 41.864 0.04 . 1 . . 132 . . 45 LEU CB . 50206 2 207 . 2 . 2 45 45 LEU N N 15 119.236 0.007 . 1 . . 48 . . 45 LEU N . 50206 2 208 . 2 . 2 46 46 MET H H 1 8.702 0.001 . 1 . . 17 . . 46 MET H . 50206 2 209 . 2 . 2 46 46 MET C C 13 178.544 0.01 . 1 . . 256 . . 46 MET C . 50206 2 210 . 2 . 2 46 46 MET CA C 13 59.292 0.018 . 1 . . 129 . . 46 MET CA . 50206 2 211 . 2 . 2 46 46 MET CB C 13 32.760 0.043 . 1 . . 130 . . 46 MET CB . 50206 2 212 . 2 . 2 46 46 MET N N 15 120.152 0.022 . 1 . . 18 . . 46 MET N . 50206 2 213 . 2 . 2 47 47 SER H H 1 7.983 0.002 . 1 . . 11 . . 47 SER H . 50206 2 214 . 2 . 2 47 47 SER C C 13 175.248 0.024 . 1 . . 257 . . 47 SER C . 50206 2 215 . 2 . 2 47 47 SER CA C 13 61.340 0.06 . 1 . . 128 . . 47 SER CA . 50206 2 216 . 2 . 2 47 47 SER CB C 13 62.998 0.001 . 1 . . 127 . . 47 SER CB . 50206 2 217 . 2 . 2 47 47 SER N N 15 115.578 0.014 . 1 . . 12 . . 47 SER N . 50206 2 218 . 2 . 2 48 48 THR H H 1 7.772 0.002 . 1 . . 49 . . 48 THR H . 50206 2 219 . 2 . 2 48 48 THR C C 13 175.804 0.015 . 1 . . 258 . . 48 THR C . 50206 2 220 . 2 . 2 48 48 THR CA C 13 65.462 0.029 . 1 . . 125 . . 48 THR CA . 50206 2 221 . 2 . 2 48 48 THR CB C 13 68.823 0.019 . 1 . . 126 . . 48 THR CB . 50206 2 222 . 2 . 2 48 48 THR N N 15 118.237 0.019 . 1 . . 50 . . 48 THR N . 50206 2 223 . 2 . 2 49 49 GLU H H 1 7.893 0.002 . 1 . . 43 . . 49 GLU H . 50206 2 224 . 2 . 2 49 49 GLU C C 13 178.304 0.022 . 1 . . 259 . . 49 GLU C . 50206 2 225 . 2 . 2 49 49 GLU CA C 13 59.595 0.02 . 1 . . 124 . . 49 GLU CA . 50206 2 226 . 2 . 2 49 49 GLU CB C 13 29.528 0.06 . 1 . . 123 . . 49 GLU CB . 50206 2 227 . 2 . 2 49 49 GLU N N 15 118.191 0.011 . 1 . . 44 . . 49 GLU N . 50206 2 228 . 2 . 2 50 50 ASN H H 1 7.771 0.003 . 1 . . 87 . . 50 ASN H . 50206 2 229 . 2 . 2 50 50 ASN HD21 H 1 6.990 . . 1 . . 269 . . 50 ASN HD21 . 50206 2 230 . 2 . 2 50 50 ASN HD22 H 1 7.687 . . 1 . . 271 . . 50 ASN HD22 . 50206 2 231 . 2 . 2 50 50 ASN C C 13 177.100 0.009 . 1 . . 260 . . 50 ASN C . 50206 2 232 . 2 . 2 50 50 ASN CA C 13 54.888 0.025 . 1 . . 122 . . 50 ASN CA . 50206 2 233 . 2 . 2 50 50 ASN CB C 13 38.489 0.017 . 1 . . 121 . . 50 ASN CB . 50206 2 234 . 2 . 2 50 50 ASN N N 15 116.215 0.009 . 1 . . 88 . . 50 ASN N . 50206 2 235 . 2 . 2 50 50 ASN ND2 N 15 112.959 0.0 . 1 . . 270 . . 50 ASN ND2 . 50206 2 236 . 2 . 2 51 51 GLU H H 1 7.880 0.002 . 1 . . 81 . . 51 GLU H . 50206 2 237 . 2 . 2 51 51 GLU C C 13 177.856 0.008 . 1 . . 261 . . 51 GLU C . 50206 2 238 . 2 . 2 51 51 GLU CA C 13 57.795 0.017 . 1 . . 119 . . 51 GLU CA . 50206 2 239 . 2 . 2 51 51 GLU CB C 13 29.715 0.036 . 1 . . 120 . . 51 GLU CB . 50206 2 240 . 2 . 2 51 51 GLU N N 15 120.196 0.013 . 1 . . 82 . . 51 GLU N . 50206 2 241 . 2 . 2 52 52 LEU H H 1 7.618 0.002 . 1 . . 83 . . 52 LEU H . 50206 2 242 . 2 . 2 52 52 LEU C C 13 177.897 0.004 . 1 . . 263 . . 52 LEU C . 50206 2 243 . 2 . 2 52 52 LEU CA C 13 55.842 0.027 . 1 . . 118 . . 52 LEU CA . 50206 2 244 . 2 . 2 52 52 LEU CB C 13 41.706 0.022 . 1 . . 117 . . 52 LEU CB . 50206 2 245 . 2 . 2 52 52 LEU N N 15 119.001 0.006 . 1 . . 84 . . 52 LEU N . 50206 2 246 . 2 . 2 53 53 LYS H H 1 7.792 0.002 . 1 . . 1 . . 53 LYS H . 50206 2 247 . 2 . 2 53 53 LYS C C 13 177.527 0.01 . 1 . . 262 . . 53 LYS C . 50206 2 248 . 2 . 2 53 53 LYS CA C 13 57.104 0.011 . 1 . . 116 . . 53 LYS CA . 50206 2 249 . 2 . 2 53 53 LYS CB C 13 32.941 0.024 . 1 . . 115 . . 53 LYS CB . 50206 2 250 . 2 . 2 53 53 LYS N N 15 119.748 0.006 . 1 . . 2 . . 53 LYS N . 50206 2 251 . 2 . 2 54 54 GLY H H 1 8.170 0.001 . 1 . . 3 . . 54 GLY H . 50206 2 252 . 2 . 2 54 54 GLY C C 13 174.356 0.014 . 1 . . 264 . . 54 GLY C . 50206 2 253 . 2 . 2 54 54 GLY CA C 13 45.550 0.01 . 1 . . 114 . . 54 GLY CA . 50206 2 254 . 2 . 2 54 54 GLY N N 15 108.409 0.006 . 1 . . 4 . . 54 GLY N . 50206 2 255 . 2 . 2 55 55 GLN H H 1 8.124 0.001 . 1 . . 65 . . 55 GLN H . 50206 2 256 . 2 . 2 55 55 GLN C C 13 176.001 0.006 . 1 . . 265 . . 55 GLN C . 50206 2 257 . 2 . 2 55 55 GLN CA C 13 55.915 0.001 . 1 . . 113 . . 55 GLN CA . 50206 2 258 . 2 . 2 55 55 GLN CB C 13 29.468 0.026 . 1 . . 112 . . 55 GLN CB . 50206 2 259 . 2 . 2 55 55 GLN N N 15 119.560 0.009 . 1 . . 66 . . 55 GLN N . 50206 2 260 . 2 . 2 56 56 GLN H H 1 8.354 0.0 . 1 . . 37 . . 56 GLN H . 50206 2 261 . 2 . 2 56 56 GLN C C 13 175.345 0.009 . 1 . . 266 . . 56 GLN C . 50206 2 262 . 2 . 2 56 56 GLN CA C 13 55.831 0.009 . 1 . . 110 . . 56 GLN CA . 50206 2 263 . 2 . 2 56 56 GLN CB C 13 29.637 0.019 . 1 . . 111 . . 56 GLN CB . 50206 2 264 . 2 . 2 56 56 GLN N N 15 121.273 0.007 . 1 . . 38 . . 56 GLN N . 50206 2 265 . 2 . 2 57 57 ALA H H 1 8.306 0.001 . 1 . . 71 . . 57 ALA H . 50206 2 266 . 2 . 2 57 57 ALA C C 13 176.463 0.009 . 1 . . 267 . . 57 ALA C . 50206 2 267 . 2 . 2 57 57 ALA CA C 13 52.390 0.003 . 1 . . 108 . . 57 ALA CA . 50206 2 268 . 2 . 2 57 57 ALA CB C 13 19.244 0.029 . 1 . . 109 . . 57 ALA CB . 50206 2 269 . 2 . 2 57 57 ALA N N 15 126.085 0.004 . 1 . . 72 . . 57 ALA N . 50206 2 270 . 2 . 2 58 58 LEU H H 1 7.843 0.0 . 1 . . 51 . . 58 LEU H . 50206 2 271 . 2 . 2 58 58 LEU C C 13 182.508 . . 1 . . 268 . . 58 LEU C . 50206 2 272 . 2 . 2 58 58 LEU CA C 13 56.732 . . 1 . . 107 . . 58 LEU CA . 50206 2 273 . 2 . 2 58 58 LEU CB C 13 43.490 . . 1 . . 106 . . 58 LEU CB . 50206 2 274 . 2 . 2 58 58 LEU N N 15 127.678 0.004 . 1 . . 52 . . 58 LEU N . 50206 2 stop_ save_