data_26631 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26631 _Entry.Title ; SPOP_MATH_PUC complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-10 _Entry.Accession_date 2015-08-10 _Entry.Last_release_date 2016-01-05 _Entry.Original_release_date 2016-01-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Christy Grace . . . . 26631 2 Wendy Pierce . . . . 26631 3 Tanja Mittag . . . . 26631 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26631 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 26631 '15N chemical shifts' 128 26631 '1H chemical shifts' 130 26631 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-11 2015-08-10 update BMRB 'update entry citation' 26631 1 . . 2016-01-05 2015-08-10 original author 'original release' 26631 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26629 MATH 26631 PDB 2CR2 . 26631 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26631 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26475525 _Citation.Full_citation . _Citation.Title ; Multiple weak linear motifs enhance recruitment and processivity in SPOP-mediated substrate ubiquitination ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 428 _Citation.Journal_issue 6 _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 1256 _Citation.Page_last 1271 _Citation.Year 2016 _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 Wendy Pierce . K. . . 26631 1 2 Christy Grace . R. . . 26631 1 3 Jihun Lee . . . . 26631 1 4 Amanda Nourse . . . . 26631 1 5 Melissa Marzahn . M. . . 26631 1 6 Edmond Watson . R. . . 26631 1 7 Anthony High . . . . 26631 1 8 Junmin Peng . . . . 26631 1 9 Brenda Schulman . . . . 26631 1 10 Tanja Mittag . . . . 26631 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26631 _Assembly.ID 1 _Assembly.Name MATH-PUC _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'SPOP_MATH in complex with PUC peptide' _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 MATH 1 $MATH-PUC_complex A . yes native no no . . . 26631 1 2 PUC 1 $MATH-PUC_complex A . no native no no . . . 26631 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 yes BMRB 26629 . . . . . . 26631 1 yes PDB 2CR2 . . . . . . 26631 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MATH-PUC_complex _Entity.Sf_category entity _Entity.Sf_framecode MATH-PUC_complex _Entity.Entry_ID 26631 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MATH-PUC_complex _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 ; GSSGSSGKVVKFSYMWTINN FSFCREEMGEVIKSSTFSSG ANDKLKWCLRVNPKGLDEES KDYLSLYLLLVSCPKSEVRA KFKFSILNAKGEETKAMESQ RAYRFVQGKDWGFKKFIRRD FLLDEANGLLPDDKLTLFCE VSVVQDSVNISGQSGPSSG ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . 26631 1 2 . SER . 26631 1 3 . SER . 26631 1 4 . GLY . 26631 1 5 . SER . 26631 1 6 . SER . 26631 1 7 . GLY . 26631 1 8 . LYS . 26631 1 9 . VAL . 26631 1 10 . VAL . 26631 1 11 . LYS . 26631 1 12 . PHE . 26631 1 13 . SER . 26631 1 14 . TYR . 26631 1 15 . MET . 26631 1 16 . TRP . 26631 1 17 . THR . 26631 1 18 . ILE . 26631 1 19 . ASN . 26631 1 20 . ASN . 26631 1 21 . PHE . 26631 1 22 . SER . 26631 1 23 . PHE . 26631 1 24 . CYS . 26631 1 25 . ARG . 26631 1 26 . GLU . 26631 1 27 . GLU . 26631 1 28 . MET . 26631 1 29 . GLY . 26631 1 30 . GLU . 26631 1 31 . VAL . 26631 1 32 . ILE . 26631 1 33 . LYS . 26631 1 34 . SER . 26631 1 35 . SER . 26631 1 36 . THR . 26631 1 37 . PHE . 26631 1 38 . SER . 26631 1 39 . SER . 26631 1 40 . GLY . 26631 1 41 . ALA . 26631 1 42 . ASN . 26631 1 43 . ASP . 26631 1 44 . LYS . 26631 1 45 . LEU . 26631 1 46 . LYS . 26631 1 47 . TRP . 26631 1 48 . CYS . 26631 1 49 . LEU . 26631 1 50 . ARG . 26631 1 51 . VAL . 26631 1 52 . ASN . 26631 1 53 . PRO . 26631 1 54 . LYS . 26631 1 55 . GLY . 26631 1 56 . LEU . 26631 1 57 . ASP . 26631 1 58 . GLU . 26631 1 59 . GLU . 26631 1 60 . SER . 26631 1 61 . LYS . 26631 1 62 . ASP . 26631 1 63 . TYR . 26631 1 64 . LEU . 26631 1 65 . SER . 26631 1 66 . LEU . 26631 1 67 . TYR . 26631 1 68 . LEU . 26631 1 69 . LEU . 26631 1 70 . LEU . 26631 1 71 . VAL . 26631 1 72 . SER . 26631 1 73 . CYS . 26631 1 74 . PRO . 26631 1 75 . LYS . 26631 1 76 . SER . 26631 1 77 . GLU . 26631 1 78 . VAL . 26631 1 79 . ARG . 26631 1 80 . ALA . 26631 1 81 . LYS . 26631 1 82 . PHE . 26631 1 83 . LYS . 26631 1 84 . PHE . 26631 1 85 . SER . 26631 1 86 . ILE . 26631 1 87 . LEU . 26631 1 88 . ASN . 26631 1 89 . ALA . 26631 1 90 . LYS . 26631 1 91 . GLY . 26631 1 92 . GLU . 26631 1 93 . GLU . 26631 1 94 . THR . 26631 1 95 . LYS . 26631 1 96 . ALA . 26631 1 97 . MET . 26631 1 98 . GLU . 26631 1 99 . SER . 26631 1 100 . GLN . 26631 1 101 . ARG . 26631 1 102 . ALA . 26631 1 103 . TYR . 26631 1 104 . ARG . 26631 1 105 . PHE . 26631 1 106 . VAL . 26631 1 107 . GLN . 26631 1 108 . GLY . 26631 1 109 . LYS . 26631 1 110 . ASP . 26631 1 111 . TRP . 26631 1 112 . GLY . 26631 1 113 . PHE . 26631 1 114 . LYS . 26631 1 115 . LYS . 26631 1 116 . PHE . 26631 1 117 . ILE . 26631 1 118 . ARG . 26631 1 119 . ARG . 26631 1 120 . ASP . 26631 1 121 . PHE . 26631 1 122 . LEU . 26631 1 123 . LEU . 26631 1 124 . ASP . 26631 1 125 . GLU . 26631 1 126 . ALA . 26631 1 127 . ASN . 26631 1 128 . GLY . 26631 1 129 . LEU . 26631 1 130 . LEU . 26631 1 131 . PRO . 26631 1 132 . ASP . 26631 1 133 . ASP . 26631 1 134 . LYS . 26631 1 135 . LEU . 26631 1 136 . THR . 26631 1 137 . LEU . 26631 1 138 . PHE . 26631 1 139 . CYS . 26631 1 140 . GLU . 26631 1 141 . VAL . 26631 1 142 . SER . 26631 1 143 . VAL . 26631 1 144 . VAL . 26631 1 145 . GLN . 26631 1 146 . ASP . 26631 1 147 . SER . 26631 1 148 . VAL . 26631 1 149 . ASN . 26631 1 150 . ILE . 26631 1 151 . SER . 26631 1 152 . GLY . 26631 1 153 . GLN . 26631 1 154 . SER . 26631 1 155 . GLY . 26631 1 156 . PRO . 26631 1 157 . SER . 26631 1 158 . SER . 26631 1 159 . GLY . 26631 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26631 1 . SER 2 2 26631 1 . SER 3 3 26631 1 . GLY 4 4 26631 1 . SER 5 5 26631 1 . SER 6 6 26631 1 . GLY 7 7 26631 1 . LYS 8 8 26631 1 . VAL 9 9 26631 1 . VAL 10 10 26631 1 . LYS 11 11 26631 1 . PHE 12 12 26631 1 . SER 13 13 26631 1 . TYR 14 14 26631 1 . MET 15 15 26631 1 . TRP 16 16 26631 1 . THR 17 17 26631 1 . ILE 18 18 26631 1 . ASN 19 19 26631 1 . ASN 20 20 26631 1 . PHE 21 21 26631 1 . SER 22 22 26631 1 . PHE 23 23 26631 1 . CYS 24 24 26631 1 . ARG 25 25 26631 1 . GLU 26 26 26631 1 . GLU 27 27 26631 1 . MET 28 28 26631 1 . GLY 29 29 26631 1 . GLU 30 30 26631 1 . VAL 31 31 26631 1 . ILE 32 32 26631 1 . LYS 33 33 26631 1 . SER 34 34 26631 1 . SER 35 35 26631 1 . THR 36 36 26631 1 . PHE 37 37 26631 1 . SER 38 38 26631 1 . SER 39 39 26631 1 . GLY 40 40 26631 1 . ALA 41 41 26631 1 . ASN 42 42 26631 1 . ASP 43 43 26631 1 . LYS 44 44 26631 1 . LEU 45 45 26631 1 . LYS 46 46 26631 1 . TRP 47 47 26631 1 . CYS 48 48 26631 1 . LEU 49 49 26631 1 . ARG 50 50 26631 1 . VAL 51 51 26631 1 . ASN 52 52 26631 1 . PRO 53 53 26631 1 . LYS 54 54 26631 1 . GLY 55 55 26631 1 . LEU 56 56 26631 1 . ASP 57 57 26631 1 . GLU 58 58 26631 1 . GLU 59 59 26631 1 . SER 60 60 26631 1 . LYS 61 61 26631 1 . ASP 62 62 26631 1 . TYR 63 63 26631 1 . LEU 64 64 26631 1 . SER 65 65 26631 1 . LEU 66 66 26631 1 . TYR 67 67 26631 1 . LEU 68 68 26631 1 . LEU 69 69 26631 1 . LEU 70 70 26631 1 . VAL 71 71 26631 1 . SER 72 72 26631 1 . CYS 73 73 26631 1 . PRO 74 74 26631 1 . LYS 75 75 26631 1 . SER 76 76 26631 1 . GLU 77 77 26631 1 . VAL 78 78 26631 1 . ARG 79 79 26631 1 . ALA 80 80 26631 1 . LYS 81 81 26631 1 . PHE 82 82 26631 1 . LYS 83 83 26631 1 . PHE 84 84 26631 1 . SER 85 85 26631 1 . ILE 86 86 26631 1 . LEU 87 87 26631 1 . ASN 88 88 26631 1 . ALA 89 89 26631 1 . LYS 90 90 26631 1 . GLY 91 91 26631 1 . GLU 92 92 26631 1 . GLU 93 93 26631 1 . THR 94 94 26631 1 . LYS 95 95 26631 1 . ALA 96 96 26631 1 . MET 97 97 26631 1 . GLU 98 98 26631 1 . SER 99 99 26631 1 . GLN 100 100 26631 1 . ARG 101 101 26631 1 . ALA 102 102 26631 1 . TYR 103 103 26631 1 . ARG 104 104 26631 1 . PHE 105 105 26631 1 . VAL 106 106 26631 1 . GLN 107 107 26631 1 . GLY 108 108 26631 1 . LYS 109 109 26631 1 . ASP 110 110 26631 1 . TRP 111 111 26631 1 . GLY 112 112 26631 1 . PHE 113 113 26631 1 . LYS 114 114 26631 1 . LYS 115 115 26631 1 . PHE 116 116 26631 1 . ILE 117 117 26631 1 . ARG 118 118 26631 1 . ARG 119 119 26631 1 . ASP 120 120 26631 1 . PHE 121 121 26631 1 . LEU 122 122 26631 1 . LEU 123 123 26631 1 . ASP 124 124 26631 1 . GLU 125 125 26631 1 . ALA 126 126 26631 1 . ASN 127 127 26631 1 . GLY 128 128 26631 1 . LEU 129 129 26631 1 . LEU 130 130 26631 1 . PRO 131 131 26631 1 . ASP 132 132 26631 1 . ASP 133 133 26631 1 . LYS 134 134 26631 1 . LEU 135 135 26631 1 . THR 136 136 26631 1 . LEU 137 137 26631 1 . PHE 138 138 26631 1 . CYS 139 139 26631 1 . GLU 140 140 26631 1 . VAL 141 141 26631 1 . SER 142 142 26631 1 . VAL 143 143 26631 1 . VAL 144 144 26631 1 . GLN 145 145 26631 1 . ASP 146 146 26631 1 . SER 147 147 26631 1 . VAL 148 148 26631 1 . ASN 149 149 26631 1 . ILE 150 150 26631 1 . SER 151 151 26631 1 . GLY 152 152 26631 1 . GLN 153 153 26631 1 . SER 154 154 26631 1 . GLY 155 155 26631 1 . PRO 156 156 26631 1 . SER 157 157 26631 1 . SER 158 158 26631 1 . GLY 159 159 26631 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 26631 _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 $MATH-PUC_complex . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26631 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 26631 _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 $MATH-PUC_complex . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21(DE3) . . . 26631 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26631 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MATH '[U-100% 13C; U-100% 15N]' . . 1 $MATH-PUC_complex . . 0.5 . . mM . . . . 26631 1 2 PUC 'natural abundance' . . 1 $MATH-PUC_complex . . 2.5 . . mM . . . . 26631 1 3 'sodium chloride' 'natural abundance' . . . . . . 50.0 . . mM . . . . 26631 1 4 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 26631 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10.0 . . mM . . . . 26631 1 6 'potassium phosphate' 'natural abundance' . . . . . . 1.76 . . mM . . . . 26631 1 7 DTT 'natural abundance' . . . . . . 5.0 . . mM . . . . 26631 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26631 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26631 1 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 26631 _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' 50 . mM 26631 1 pH 6.0 . pH 26631 1 pressure 1 . atm 26631 1 temperature 298 . K 26631 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26631 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26631 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26631 1 processing 26631 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26631 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26631 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26631 2 'data analysis' 26631 2 'peak picking' 26631 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26631 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26631 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26631 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 26631 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26631 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26631 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26631 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26631 1 5 '3D HN(CA)CO; sample_1; sample_conditions_1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26631 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26631 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 other . . . . 26631 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 other . . . . 26631 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 other . . . . 26631 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26631 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26631 1 2 '3D HNCACB' . . . 26631 1 3 '3D HNCO' . . . 26631 1 4 '3D CBCA(CO)NH' . . . 26631 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 7 7 GLY H H 1 8.387 0.020 . 1 . . . . 7 GLY H . 26631 1 2 . 1 1 7 7 GLY CA C 13 45.430 0.3 . 1 . . . . 7 GLY CA . 26631 1 3 . 1 1 7 7 GLY N N 15 110.605 0.3 . 1 . . . . 7 GLY N . 26631 1 4 . 1 1 8 8 LYS H H 1 8.274 0.020 . 1 . . . . 8 LYS H . 26631 1 5 . 1 1 8 8 LYS CA C 13 56.299 0.3 . 1 . . . . 8 LYS CA . 26631 1 6 . 1 1 8 8 LYS CB C 13 33.500 0.3 . 1 . . . . 8 LYS CB . 26631 1 7 . 1 1 8 8 LYS N N 15 121.353 0.3 . 1 . . . . 8 LYS N . 26631 1 8 . 1 1 9 9 VAL H H 1 8.160 0.020 . 1 . . . . 9 VAL H . 26631 1 9 . 1 1 9 9 VAL C C 13 175.917 0.3 . 1 . . . . 9 VAL C . 26631 1 10 . 1 1 9 9 VAL CA C 13 60.844 0.3 . 1 . . . . 9 VAL CA . 26631 1 11 . 1 1 9 9 VAL CB C 13 34.409 0.3 . 1 . . . . 9 VAL CB . 26631 1 12 . 1 1 9 9 VAL N N 15 119.999 0.3 . 1 . . . . 9 VAL N . 26631 1 13 . 1 1 10 10 VAL H H 1 8.774 0.020 . 1 . . . . 10 VAL H . 26631 1 14 . 1 1 10 10 VAL C C 13 174.231 0.3 . 1 . . . . 10 VAL C . 26631 1 15 . 1 1 10 10 VAL CA C 13 62.154 0.3 . 1 . . . . 10 VAL CA . 26631 1 16 . 1 1 10 10 VAL CB C 13 33.779 0.3 . 1 . . . . 10 VAL CB . 26631 1 17 . 1 1 10 10 VAL N N 15 126.967 0.3 . 1 . . . . 10 VAL N . 26631 1 18 . 1 1 11 11 LYS H H 1 8.626 0.020 . 1 . . . . 11 LYS H . 26631 1 19 . 1 1 11 11 LYS C C 13 176.011 0.3 . 1 . . . . 11 LYS C . 26631 1 20 . 1 1 11 11 LYS CA C 13 54.758 0.3 . 1 . . . . 11 LYS CA . 26631 1 21 . 1 1 11 11 LYS CB C 13 35.287 0.3 . 1 . . . . 11 LYS CB . 26631 1 22 . 1 1 11 11 LYS N N 15 127.774 0.3 . 1 . . . . 11 LYS N . 26631 1 23 . 1 1 12 12 PHE H H 1 8.765 0.020 . 1 . . . . 12 PHE H . 26631 1 24 . 1 1 12 12 PHE C C 13 172.450 0.3 . 1 . . . . 12 PHE C . 26631 1 25 . 1 1 12 12 PHE CA C 13 56.147 0.3 . 1 . . . . 12 PHE CA . 26631 1 26 . 1 1 12 12 PHE CB C 13 40.397 0.3 . 1 . . . . 12 PHE CB . 26631 1 27 . 1 1 12 12 PHE N N 15 121.421 0.3 . 1 . . . . 12 PHE N . 26631 1 28 . 1 1 13 13 SER H H 1 8.668 0.020 . 1 . . . . 13 SER H . 26631 1 29 . 1 1 13 13 SER C C 13 172.872 0.3 . 1 . . . . 13 SER C . 26631 1 30 . 1 1 13 13 SER CA C 13 56.469 0.3 . 1 . . . . 13 SER CA . 26631 1 31 . 1 1 13 13 SER CB C 13 67.855 0.3 . 1 . . . . 13 SER CB . 26631 1 32 . 1 1 13 13 SER N N 15 113.454 0.3 . 1 . . . . 13 SER N . 26631 1 33 . 1 1 14 14 TYR H H 1 8.534 0.020 . 1 . . . . 14 TYR H . 26631 1 34 . 1 1 14 14 TYR C C 13 171.888 0.3 . 1 . . . . 14 TYR C . 26631 1 35 . 1 1 14 14 TYR CA C 13 57.954 0.3 . 1 . . . . 14 TYR CA . 26631 1 36 . 1 1 14 14 TYR CB C 13 42.403 0.3 . 1 . . . . 14 TYR CB . 26631 1 37 . 1 1 14 14 TYR N N 15 120.618 0.3 . 1 . . . . 14 TYR N . 26631 1 38 . 1 1 15 15 MET H H 1 7.248 0.020 . 1 . . . . 15 MET H . 26631 1 39 . 1 1 15 15 MET C C 13 173.059 0.3 . 1 . . . . 15 MET C . 26631 1 40 . 1 1 15 15 MET CA C 13 53.895 0.3 . 1 . . . . 15 MET CA . 26631 1 41 . 1 1 15 15 MET CB C 13 36.078 0.3 . 1 . . . . 15 MET CB . 26631 1 42 . 1 1 15 15 MET N N 15 126.500 0.3 . 1 . . . . 15 MET N . 26631 1 43 . 1 1 16 16 TRP H H 1 9.215 0.020 . 1 . . . . 16 TRP H . 26631 1 44 . 1 1 16 16 TRP C C 13 173.575 0.3 . 1 . . . . 16 TRP C . 26631 1 45 . 1 1 16 16 TRP CA C 13 53.487 0.3 . 1 . . . . 16 TRP CA . 26631 1 46 . 1 1 16 16 TRP CB C 13 33.061 0.3 . 1 . . . . 16 TRP CB . 26631 1 47 . 1 1 16 16 TRP N N 15 127.799 0.3 . 1 . . . . 16 TRP N . 26631 1 48 . 1 1 17 17 THR H H 1 8.689 0.020 . 1 . . . . 17 THR H . 26631 1 49 . 1 1 17 17 THR C C 13 173.317 0.3 . 1 . . . . 17 THR C . 26631 1 50 . 1 1 17 17 THR CA C 13 61.705 0.3 . 1 . . . . 17 THR CA . 26631 1 51 . 1 1 17 17 THR CB C 13 70.449 0.3 . 1 . . . . 17 THR CB . 26631 1 52 . 1 1 17 17 THR N N 15 124.284 0.3 . 1 . . . . 17 THR N . 26631 1 53 . 1 1 18 18 ILE H H 1 9.369 0.020 . 1 . . . . 18 ILE H . 26631 1 54 . 1 1 18 18 ILE C C 13 175.097 0.3 . 1 . . . . 18 ILE C . 26631 1 55 . 1 1 18 18 ILE CA C 13 60.904 0.3 . 1 . . . . 18 ILE CA . 26631 1 56 . 1 1 18 18 ILE CB C 13 39.594 0.3 . 1 . . . . 18 ILE CB . 26631 1 57 . 1 1 18 18 ILE N N 15 129.627 0.3 . 1 . . . . 18 ILE N . 26631 1 58 . 1 1 19 19 ASN H H 1 8.430 0.020 . 1 . . . . 19 ASN H . 26631 1 59 . 1 1 19 19 ASN C C 13 174.371 0.3 . 1 . . . . 19 ASN C . 26631 1 60 . 1 1 19 19 ASN CA C 13 53.262 0.3 . 1 . . . . 19 ASN CA . 26631 1 61 . 1 1 19 19 ASN CB C 13 40.006 0.3 . 1 . . . . 19 ASN CB . 26631 1 62 . 1 1 19 19 ASN N N 15 124.633 0.3 . 1 . . . . 19 ASN N . 26631 1 63 . 1 1 20 20 ASN H H 1 8.816 0.020 . 1 . . . . 20 ASN H . 26631 1 64 . 1 1 20 20 ASN C C 13 177.112 0.3 . 1 . . . . 20 ASN C . 26631 1 65 . 1 1 20 20 ASN CA C 13 53.801 0.3 . 1 . . . . 20 ASN CA . 26631 1 66 . 1 1 20 20 ASN CB C 13 37.527 0.3 . 1 . . . . 20 ASN CB . 26631 1 67 . 1 1 20 20 ASN N N 15 118.666 0.3 . 1 . . . . 20 ASN N . 26631 1 68 . 1 1 21 21 PHE H H 1 9.095 0.020 . 1 . . . . 21 PHE H . 26631 1 69 . 1 1 21 21 PHE C C 13 178.470 0.3 . 1 . . . . 21 PHE C . 26631 1 70 . 1 1 21 21 PHE CA C 13 62.736 0.3 . 1 . . . . 21 PHE CA . 26631 1 71 . 1 1 21 21 PHE CB C 13 39.653 0.3 . 1 . . . . 21 PHE CB . 26631 1 72 . 1 1 21 21 PHE N N 15 120.312 0.3 . 1 . . . . 21 PHE N . 26631 1 73 . 1 1 22 22 SER H H 1 10.215 0.020 . 1 . . . . 22 SER H . 26631 1 74 . 1 1 22 22 SER CA C 13 61.863 0.3 . 1 . . . . 22 SER CA . 26631 1 75 . 1 1 22 22 SER CB C 13 62.190 0.3 . 1 . . . . 22 SER CB . 26631 1 76 . 1 1 22 22 SER N N 15 116.143 0.3 . 1 . . . . 22 SER N . 26631 1 77 . 1 1 23 23 PHE H H 1 7.899 0.020 . 1 . . . . 23 PHE H . 26631 1 78 . 1 1 23 23 PHE C C 13 176.339 0.3 . 1 . . . . 23 PHE C . 26631 1 79 . 1 1 23 23 PHE CA C 13 57.955 0.3 . 1 . . . . 23 PHE CA . 26631 1 80 . 1 1 23 23 PHE CB C 13 39.414 0.3 . 1 . . . . 23 PHE CB . 26631 1 81 . 1 1 23 23 PHE N N 15 119.907 0.3 . 1 . . . . 23 PHE N . 26631 1 82 . 1 1 24 24 CYS H H 1 7.626 0.020 . 1 . . . . 24 CYS H . 26631 1 83 . 1 1 24 24 CYS C C 13 176.503 0.3 . 1 . . . . 24 CYS C . 26631 1 84 . 1 1 24 24 CYS CA C 13 61.771 0.3 . 1 . . . . 24 CYS CA . 26631 1 85 . 1 1 24 24 CYS CB C 13 26.109 0.3 . 1 . . . . 24 CYS CB . 26631 1 86 . 1 1 24 24 CYS N N 15 120.342 0.3 . 1 . . . . 24 CYS N . 26631 1 87 . 1 1 25 25 ARG H H 1 8.675 0.020 . 1 . . . . 25 ARG H . 26631 1 88 . 1 1 25 25 ARG CA C 13 56.487 0.3 . 1 . . . . 25 ARG CA . 26631 1 89 . 1 1 25 25 ARG CB C 13 30.333 0.3 . 1 . . . . 25 ARG CB . 26631 1 90 . 1 1 25 25 ARG N N 15 125.128 0.3 . 1 . . . . 25 ARG N . 26631 1 91 . 1 1 26 26 GLU CA C 13 59.662 0.3 . 1 . . . . 26 GLU CA . 26631 1 92 . 1 1 26 26 GLU CB C 13 29.618 0.3 . 1 . . . . 26 GLU CB . 26631 1 93 . 1 1 27 27 GLU H H 1 8.546 0.020 . 1 . . . . 27 GLU H . 26631 1 94 . 1 1 27 27 GLU CA C 13 55.063 0.3 . 1 . . . . 27 GLU CA . 26631 1 95 . 1 1 27 27 GLU CB C 13 31.428 0.3 . 1 . . . . 27 GLU CB . 26631 1 96 . 1 1 27 27 GLU N N 15 120.498 0.3 . 1 . . . . 27 GLU N . 26631 1 97 . 1 1 28 28 MET H H 1 8.847 0.020 . 1 . . . . 28 MET H . 26631 1 98 . 1 1 28 28 MET C C 13 173.200 0.3 . 1 . . . . 28 MET C . 26631 1 99 . 1 1 28 28 MET CA C 13 58.640 0.3 . 1 . . . . 28 MET CA . 26631 1 100 . 1 1 28 28 MET CB C 13 33.277 0.3 . 1 . . . . 28 MET CB . 26631 1 101 . 1 1 28 28 MET N N 15 121.471 0.3 . 1 . . . . 28 MET N . 26631 1 102 . 1 1 29 29 GLY H H 1 8.547 0.020 . 1 . . . . 29 GLY H . 26631 1 103 . 1 1 29 29 GLY CA C 13 45.643 0.3 . 1 . . . . 29 GLY CA . 26631 1 104 . 1 1 29 29 GLY N N 15 111.132 0.3 . 1 . . . . 29 GLY N . 26631 1 105 . 1 1 30 30 GLU H H 1 8.122 0.020 . 1 . . . . 30 GLU H . 26631 1 106 . 1 1 30 30 GLU C C 13 176.479 0.3 . 1 . . . . 30 GLU C . 26631 1 107 . 1 1 30 30 GLU CA C 13 56.864 0.3 . 1 . . . . 30 GLU CA . 26631 1 108 . 1 1 30 30 GLU CB C 13 30.507 0.3 . 1 . . . . 30 GLU CB . 26631 1 109 . 1 1 30 30 GLU N N 15 119.357 0.3 . 1 . . . . 30 GLU N . 26631 1 110 . 1 1 31 31 VAL H H 1 8.362 0.020 . 1 . . . . 31 VAL H . 26631 1 111 . 1 1 31 31 VAL C C 13 175.050 0.3 . 1 . . . . 31 VAL C . 26631 1 112 . 1 1 31 31 VAL CA C 13 60.507 0.3 . 1 . . . . 31 VAL CA . 26631 1 113 . 1 1 31 31 VAL CB C 13 35.924 0.3 . 1 . . . . 31 VAL CB . 26631 1 114 . 1 1 31 31 VAL N N 15 119.409 0.3 . 1 . . . . 31 VAL N . 26631 1 115 . 1 1 32 32 ILE H H 1 9.096 0.020 . 1 . . . . 32 ILE H . 26631 1 116 . 1 1 32 32 ILE C C 13 174.863 0.3 . 1 . . . . 32 ILE C . 26631 1 117 . 1 1 32 32 ILE CA C 13 61.391 0.3 . 1 . . . . 32 ILE CA . 26631 1 118 . 1 1 32 32 ILE CB C 13 40.530 0.3 . 1 . . . . 32 ILE CB . 26631 1 119 . 1 1 32 32 ILE N N 15 125.179 0.3 . 1 . . . . 32 ILE N . 26631 1 120 . 1 1 33 33 LYS H H 1 8.925 0.020 . 1 . . . . 33 LYS H . 26631 1 121 . 1 1 33 33 LYS C C 13 176.128 0.3 . 1 . . . . 33 LYS C . 26631 1 122 . 1 1 33 33 LYS CA C 13 54.672 0.3 . 1 . . . . 33 LYS CA . 26631 1 123 . 1 1 33 33 LYS CB C 13 35.688 0.3 . 1 . . . . 33 LYS CB . 26631 1 124 . 1 1 33 33 LYS N N 15 126.886 0.3 . 1 . . . . 33 LYS N . 26631 1 125 . 1 1 34 34 SER H H 1 8.620 0.020 . 1 . . . . 34 SER H . 26631 1 126 . 1 1 34 34 SER C C 13 173.903 0.3 . 1 . . . . 34 SER C . 26631 1 127 . 1 1 34 34 SER CA C 13 58.320 0.3 . 1 . . . . 34 SER CA . 26631 1 128 . 1 1 34 34 SER CB C 13 64.374 0.3 . 1 . . . . 34 SER CB . 26631 1 129 . 1 1 34 34 SER N N 15 122.196 0.3 . 1 . . . . 34 SER N . 26631 1 130 . 1 1 35 35 SER H H 1 8.048 0.020 . 1 . . . . 35 SER H . 26631 1 131 . 1 1 35 35 SER CA C 13 58.971 0.3 . 1 . . . . 35 SER CA . 26631 1 132 . 1 1 35 35 SER CB C 13 63.819 0.3 . 1 . . . . 35 SER CB . 26631 1 133 . 1 1 35 35 SER N N 15 113.301 0.3 . 1 . . . . 35 SER N . 26631 1 134 . 1 1 36 36 THR H H 1 8.272 0.020 . 1 . . . . 36 THR H . 26631 1 135 . 1 1 36 36 THR C C 13 175.074 0.3 . 1 . . . . 36 THR C . 26631 1 136 . 1 1 36 36 THR CA C 13 61.313 0.3 . 1 . . . . 36 THR CA . 26631 1 137 . 1 1 36 36 THR CB C 13 70.549 0.3 . 1 . . . . 36 THR CB . 26631 1 138 . 1 1 36 36 THR N N 15 113.868 0.3 . 1 . . . . 36 THR N . 26631 1 139 . 1 1 37 37 PHE H H 1 8.986 0.020 . 1 . . . . 37 PHE H . 26631 1 140 . 1 1 37 37 PHE C C 13 173.200 0.3 . 1 . . . . 37 PHE C . 26631 1 141 . 1 1 37 37 PHE CA C 13 55.533 0.3 . 1 . . . . 37 PHE CA . 26631 1 142 . 1 1 37 37 PHE CB C 13 42.070 0.3 . 1 . . . . 37 PHE CB . 26631 1 143 . 1 1 37 37 PHE N N 15 119.815 0.3 . 1 . . . . 37 PHE N . 26631 1 144 . 1 1 38 38 SER H H 1 8.414 0.020 . 1 . . . . 38 SER H . 26631 1 145 . 1 1 38 38 SER C C 13 173.411 0.3 . 1 . . . . 38 SER C . 26631 1 146 . 1 1 38 38 SER CA C 13 57.220 0.3 . 1 . . . . 38 SER CA . 26631 1 147 . 1 1 38 38 SER CB C 13 65.938 0.3 . 1 . . . . 38 SER CB . 26631 1 148 . 1 1 38 38 SER N N 15 113.330 0.3 . 1 . . . . 38 SER N . 26631 1 149 . 1 1 39 39 SER H H 1 8.781 0.020 . 1 . . . . 39 SER H . 26631 1 150 . 1 1 39 39 SER CA C 13 59.117 0.3 . 1 . . . . 39 SER CA . 26631 1 151 . 1 1 39 39 SER CB C 13 63.741 0.3 . 1 . . . . 39 SER CB . 26631 1 152 . 1 1 39 39 SER N N 15 115.878 0.3 . 1 . . . . 39 SER N . 26631 1 153 . 1 1 40 40 GLY H H 1 7.921 0.020 . 1 . . . . 40 GLY H . 26631 1 154 . 1 1 40 40 GLY CA C 13 45.168 0.3 . 1 . . . . 40 GLY CA . 26631 1 155 . 1 1 40 40 GLY N N 15 109.675 0.3 . 1 . . . . 40 GLY N . 26631 1 156 . 1 1 41 41 ALA H H 1 8.537 0.020 . 1 . . . . 41 ALA H . 26631 1 157 . 1 1 41 41 ALA C C 13 174.746 0.3 . 1 . . . . 41 ALA C . 26631 1 158 . 1 1 41 41 ALA CA C 13 53.393 0.3 . 1 . . . . 41 ALA CA . 26631 1 159 . 1 1 41 41 ALA CB C 13 18.971 0.3 . 1 . . . . 41 ALA CB . 26631 1 160 . 1 1 41 41 ALA N N 15 123.068 0.3 . 1 . . . . 41 ALA N . 26631 1 161 . 1 1 42 42 ASN H H 1 8.409 0.020 . 1 . . . . 42 ASN H . 26631 1 162 . 1 1 42 42 ASN CA C 13 52.921 0.3 . 1 . . . . 42 ASN CA . 26631 1 163 . 1 1 42 42 ASN CB C 13 38.051 0.3 . 1 . . . . 42 ASN CB . 26631 1 164 . 1 1 42 42 ASN N N 15 115.077 0.3 . 1 . . . . 42 ASN N . 26631 1 165 . 1 1 43 43 ASP H H 1 7.700 0.020 . 1 . . . . 43 ASP H . 26631 1 166 . 1 1 43 43 ASP CA C 13 54.198 0.3 . 1 . . . . 43 ASP CA . 26631 1 167 . 1 1 43 43 ASP CB C 13 41.416 0.3 . 1 . . . . 43 ASP CB . 26631 1 168 . 1 1 43 43 ASP N N 15 120.404 0.3 . 1 . . . . 43 ASP N . 26631 1 169 . 1 1 44 44 LYS H H 1 8.383 0.020 . 1 . . . . 44 LYS H . 26631 1 170 . 1 1 44 44 LYS CA C 13 56.682 0.3 . 1 . . . . 44 LYS CA . 26631 1 171 . 1 1 44 44 LYS CB C 13 31.956 0.3 . 1 . . . . 44 LYS CB . 26631 1 172 . 1 1 45 45 LEU H H 1 7.946 0.020 . 1 . . . . 45 LEU H . 26631 1 173 . 1 1 45 45 LEU C C 13 176.386 0.3 . 1 . . . . 45 LEU C . 26631 1 174 . 1 1 45 45 LEU CA C 13 54.859 0.3 . 1 . . . . 45 LEU CA . 26631 1 175 . 1 1 45 45 LEU CB C 13 41.782 0.3 . 1 . . . . 45 LEU CB . 26631 1 176 . 1 1 45 45 LEU N N 15 121.097 0.3 . 1 . . . . 45 LEU N . 26631 1 177 . 1 1 46 46 LYS H H 1 7.661 0.020 . 1 . . . . 46 LYS H . 26631 1 178 . 1 1 46 46 LYS C C 13 173.832 0.3 . 1 . . . . 46 LYS C . 26631 1 179 . 1 1 46 46 LYS CA C 13 54.598 0.3 . 1 . . . . 46 LYS CA . 26631 1 180 . 1 1 46 46 LYS CB C 13 35.906 0.3 . 1 . . . . 46 LYS CB . 26631 1 181 . 1 1 46 46 LYS N N 15 119.695 0.3 . 1 . . . . 46 LYS N . 26631 1 182 . 1 1 47 47 TRP H H 1 8.545 0.020 . 1 . . . . 47 TRP H . 26631 1 183 . 1 1 47 47 TRP C C 13 174.723 0.3 . 1 . . . . 47 TRP C . 26631 1 184 . 1 1 47 47 TRP CA C 13 55.148 0.3 . 1 . . . . 47 TRP CA . 26631 1 185 . 1 1 47 47 TRP CB C 13 32.521 0.3 . 1 . . . . 47 TRP CB . 26631 1 186 . 1 1 47 47 TRP N N 15 123.879 0.3 . 1 . . . . 47 TRP N . 26631 1 187 . 1 1 48 48 CYS H H 1 9.127 0.020 . 1 . . . . 48 CYS H . 26631 1 188 . 1 1 48 48 CYS C C 13 171.303 0.3 . 1 . . . . 48 CYS C . 26631 1 189 . 1 1 48 48 CYS CA C 13 57.984 0.3 . 1 . . . . 48 CYS CA . 26631 1 190 . 1 1 48 48 CYS CB C 13 31.074 0.3 . 1 . . . . 48 CYS CB . 26631 1 191 . 1 1 48 48 CYS N N 15 113.355 0.3 . 1 . . . . 48 CYS N . 26631 1 192 . 1 1 49 49 LEU H H 1 8.639 0.020 . 1 . . . . 49 LEU H . 26631 1 193 . 1 1 49 49 LEU C C 13 176.011 0.3 . 1 . . . . 49 LEU C . 26631 1 194 . 1 1 49 49 LEU CA C 13 52.954 0.3 . 1 . . . . 49 LEU CA . 26631 1 195 . 1 1 49 49 LEU CB C 13 45.063 0.3 . 1 . . . . 49 LEU CB . 26631 1 196 . 1 1 49 49 LEU N N 15 119.828 0.3 . 1 . . . . 49 LEU N . 26631 1 197 . 1 1 50 50 ARG H H 1 9.059 0.020 . 1 . . . . 50 ARG H . 26631 1 198 . 1 1 50 50 ARG C C 13 174.723 0.3 . 1 . . . . 50 ARG C . 26631 1 199 . 1 1 50 50 ARG CA C 13 55.075 0.3 . 1 . . . . 50 ARG CA . 26631 1 200 . 1 1 50 50 ARG CB C 13 34.588 0.3 . 1 . . . . 50 ARG CB . 26631 1 201 . 1 1 50 50 ARG N N 15 118.729 0.3 . 1 . . . . 50 ARG N . 26631 1 202 . 1 1 51 51 VAL H H 1 9.577 0.020 . 1 . . . . 51 VAL H . 26631 1 203 . 1 1 51 51 VAL C C 13 174.020 0.3 . 1 . . . . 51 VAL C . 26631 1 204 . 1 1 51 51 VAL CA C 13 58.730 0.3 . 1 . . . . 51 VAL CA . 26631 1 205 . 1 1 51 51 VAL CB C 13 36.265 0.3 . 1 . . . . 51 VAL CB . 26631 1 206 . 1 1 51 51 VAL N N 15 123.743 0.3 . 1 . . . . 51 VAL N . 26631 1 207 . 1 1 52 52 ASN H H 1 8.955 0.020 . 1 . . . . 52 ASN H . 26631 1 208 . 1 1 52 52 ASN C C 13 174.605 0.3 . 1 . . . . 52 ASN C . 26631 1 209 . 1 1 52 52 ASN CA C 13 50.132 0.3 . 1 . . . . 52 ASN CA . 26631 1 210 . 1 1 52 52 ASN CB C 13 39.709 0.3 . 1 . . . . 52 ASN CB . 26631 1 211 . 1 1 52 52 ASN N N 15 124.911 0.3 . 1 . . . . 52 ASN N . 26631 1 212 . 1 1 53 53 PRO CA C 13 65.297 0.3 . 1 . . . . 53 PRO CA . 26631 1 213 . 1 1 53 53 PRO CB C 13 32.799 0.3 . 1 . . . . 53 PRO CB . 26631 1 214 . 1 1 54 54 LYS CA C 13 55.107 0.3 . 1 . . . . 54 LYS CA . 26631 1 215 . 1 1 54 54 LYS CB C 13 33.942 0.3 . 1 . . . . 54 LYS CB . 26631 1 216 . 1 1 55 55 GLY H H 1 7.419 0.020 . 1 . . . . 55 GLY H . 26631 1 217 . 1 1 55 55 GLY CA C 13 45.604 0.3 . 1 . . . . 55 GLY CA . 26631 1 218 . 1 1 56 56 LEU H H 1 7.798 0.020 . 1 . . . . 56 LEU H . 26631 1 219 . 1 1 56 56 LEU C C 13 176.128 0.3 . 1 . . . . 56 LEU C . 26631 1 220 . 1 1 56 56 LEU CA C 13 56.350 0.3 . 1 . . . . 56 LEU CA . 26631 1 221 . 1 1 56 56 LEU CB C 13 44.366 0.3 . 1 . . . . 56 LEU CB . 26631 1 222 . 1 1 56 56 LEU N N 15 120.338 0.3 . 1 . . . . 56 LEU N . 26631 1 223 . 1 1 57 57 ASP H H 1 7.774 0.020 . 1 . . . . 57 ASP H . 26631 1 224 . 1 1 57 57 ASP C C 13 175.941 0.3 . 1 . . . . 57 ASP C . 26631 1 225 . 1 1 57 57 ASP CA C 13 52.408 0.3 . 1 . . . . 57 ASP CA . 26631 1 226 . 1 1 57 57 ASP CB C 13 41.564 0.3 . 1 . . . . 57 ASP CB . 26631 1 227 . 1 1 57 57 ASP N N 15 114.651 0.3 . 1 . . . . 57 ASP N . 26631 1 228 . 1 1 58 58 GLU H H 1 8.534 0.020 . 1 . . . . 58 GLU H . 26631 1 229 . 1 1 58 58 GLU CA C 13 60.183 0.3 . 1 . . . . 58 GLU CA . 26631 1 230 . 1 1 58 58 GLU CB C 13 29.357 0.3 . 1 . . . . 58 GLU CB . 26631 1 231 . 1 1 58 58 GLU N N 15 118.649 0.3 . 1 . . . . 58 GLU N . 26631 1 232 . 1 1 59 59 GLU H H 1 8.148 0.020 . 1 . . . . 59 GLU H . 26631 1 233 . 1 1 59 59 GLU C C 13 177.440 0.3 . 1 . . . . 59 GLU C . 26631 1 234 . 1 1 59 59 GLU CA C 13 58.346 0.3 . 1 . . . . 59 GLU CA . 26631 1 235 . 1 1 59 59 GLU CB C 13 29.283 0.3 . 1 . . . . 59 GLU CB . 26631 1 236 . 1 1 59 59 GLU N N 15 117.271 0.3 . 1 . . . . 59 GLU N . 26631 1 237 . 1 1 60 60 SER H H 1 8.153 0.020 . 1 . . . . 60 SER H . 26631 1 238 . 1 1 60 60 SER C C 13 174.559 0.3 . 1 . . . . 60 SER C . 26631 1 239 . 1 1 60 60 SER CA C 13 57.443 0.3 . 1 . . . . 60 SER CA . 26631 1 240 . 1 1 60 60 SER CB C 13 65.340 0.3 . 1 . . . . 60 SER CB . 26631 1 241 . 1 1 60 60 SER N N 15 111.762 0.3 . 1 . . . . 60 SER N . 26631 1 242 . 1 1 61 61 LYS H H 1 7.366 0.020 . 1 . . . . 61 LYS H . 26631 1 243 . 1 1 61 61 LYS C C 13 176.577 0.3 . 1 . . . . 61 LYS C . 26631 1 244 . 1 1 61 61 LYS CA C 13 58.663 0.3 . 1 . . . . 61 LYS CA . 26631 1 245 . 1 1 61 61 LYS CB C 13 32.251 0.3 . 1 . . . . 61 LYS CB . 26631 1 246 . 1 1 61 61 LYS N N 15 122.012 0.3 . 1 . . . . 61 LYS N . 26631 1 247 . 1 1 62 62 ASP H H 1 8.649 0.020 . 1 . . . . 62 ASP H . 26631 1 248 . 1 1 62 62 ASP C C 13 175.332 0.3 . 1 . . . . 62 ASP C . 26631 1 249 . 1 1 62 62 ASP CA C 13 54.780 0.3 . 1 . . . . 62 ASP CA . 26631 1 250 . 1 1 62 62 ASP CB C 13 40.628 0.3 . 1 . . . . 62 ASP CB . 26631 1 251 . 1 1 62 62 ASP N N 15 117.500 0.3 . 1 . . . . 62 ASP N . 26631 1 252 . 1 1 63 63 TYR H H 1 8.828 0.020 . 1 . . . . 63 TYR H . 26631 1 253 . 1 1 63 63 TYR C C 13 173.223 0.3 . 1 . . . . 63 TYR C . 26631 1 254 . 1 1 63 63 TYR CA C 13 58.262 0.3 . 1 . . . . 63 TYR CA . 26631 1 255 . 1 1 63 63 TYR CB C 13 41.756 0.3 . 1 . . . . 63 TYR CB . 26631 1 256 . 1 1 63 63 TYR N N 15 121.585 0.3 . 1 . . . . 63 TYR N . 26631 1 257 . 1 1 64 64 LEU H H 1 8.388 0.020 . 1 . . . . 64 LEU H . 26631 1 258 . 1 1 64 64 LEU C C 13 176.690 0.3 . 1 . . . . 64 LEU C . 26631 1 259 . 1 1 64 64 LEU CA C 13 55.238 0.3 . 1 . . . . 64 LEU CA . 26631 1 260 . 1 1 64 64 LEU CB C 13 44.437 0.3 . 1 . . . . 64 LEU CB . 26631 1 261 . 1 1 64 64 LEU N N 15 117.082 0.3 . 1 . . . . 64 LEU N . 26631 1 262 . 1 1 65 65 SER H H 1 8.050 0.020 . 1 . . . . 65 SER H . 26631 1 263 . 1 1 65 65 SER C C 13 173.153 0.3 . 1 . . . . 65 SER C . 26631 1 264 . 1 1 65 65 SER CA C 13 57.252 0.3 . 1 . . . . 65 SER CA . 26631 1 265 . 1 1 65 65 SER CB C 13 64.288 0.3 . 1 . . . . 65 SER CB . 26631 1 266 . 1 1 65 65 SER N N 15 120.546 0.3 . 1 . . . . 65 SER N . 26631 1 267 . 1 1 66 66 LEU H H 1 8.201 0.020 . 1 . . . . 66 LEU H . 26631 1 268 . 1 1 66 66 LEU CA C 13 54.483 0.3 . 1 . . . . 66 LEU CA . 26631 1 269 . 1 1 66 66 LEU CB C 13 46.663 0.3 . 1 . . . . 66 LEU CB . 26631 1 270 . 1 1 66 66 LEU N N 15 127.510 0.3 . 1 . . . . 66 LEU N . 26631 1 271 . 1 1 67 67 TYR H H 1 8.895 0.020 . 1 . . . . 67 TYR H . 26631 1 272 . 1 1 67 67 TYR C C 13 172.919 0.3 . 1 . . . . 67 TYR C . 26631 1 273 . 1 1 67 67 TYR CA C 13 57.300 0.3 . 1 . . . . 67 TYR CA . 26631 1 274 . 1 1 67 67 TYR CB C 13 43.810 0.3 . 1 . . . . 67 TYR CB . 26631 1 275 . 1 1 67 67 TYR N N 15 122.010 0.3 . 1 . . . . 67 TYR N . 26631 1 276 . 1 1 68 68 LEU H H 1 9.090 0.020 . 1 . . . . 68 LEU H . 26631 1 277 . 1 1 68 68 LEU C C 13 173.341 0.3 . 1 . . . . 68 LEU C . 26631 1 278 . 1 1 68 68 LEU CA C 13 53.900 0.3 . 1 . . . . 68 LEU CA . 26631 1 279 . 1 1 68 68 LEU CB C 13 45.188 0.3 . 1 . . . . 68 LEU CB . 26631 1 280 . 1 1 68 68 LEU N N 15 123.472 0.3 . 1 . . . . 68 LEU N . 26631 1 281 . 1 1 69 69 LEU H H 1 9.301 0.020 . 1 . . . . 69 LEU H . 26631 1 282 . 1 1 69 69 LEU C C 13 175.191 0.3 . 1 . . . . 69 LEU C . 26631 1 283 . 1 1 69 69 LEU CA C 13 53.907 0.3 . 1 . . . . 69 LEU CA . 26631 1 284 . 1 1 69 69 LEU CB C 13 45.772 0.3 . 1 . . . . 69 LEU CB . 26631 1 285 . 1 1 69 69 LEU N N 15 127.884 0.3 . 1 . . . . 69 LEU N . 26631 1 286 . 1 1 70 70 LEU H H 1 7.936 0.020 . 1 . . . . 70 LEU H . 26631 1 287 . 1 1 70 70 LEU C C 13 174.512 0.3 . 1 . . . . 70 LEU C . 26631 1 288 . 1 1 70 70 LEU CA C 13 53.939 0.3 . 1 . . . . 70 LEU CA . 26631 1 289 . 1 1 70 70 LEU CB C 13 40.800 0.3 . 1 . . . . 70 LEU CB . 26631 1 290 . 1 1 70 70 LEU N N 15 126.308 0.3 . 1 . . . . 70 LEU N . 26631 1 291 . 1 1 71 71 VAL H H 1 8.477 0.020 . 1 . . . . 71 VAL H . 26631 1 292 . 1 1 71 71 VAL C C 13 176.735 0.3 . 1 . . . . 71 VAL C . 26631 1 293 . 1 1 71 71 VAL CA C 13 64.282 0.3 . 1 . . . . 71 VAL CA . 26631 1 294 . 1 1 71 71 VAL CB C 13 32.723 0.3 . 1 . . . . 71 VAL CB . 26631 1 295 . 1 1 71 71 VAL N N 15 129.054 0.3 . 1 . . . . 71 VAL N . 26631 1 296 . 1 1 72 72 SER H H 1 7.368 0.020 . 1 . . . . 72 SER H . 26631 1 297 . 1 1 72 72 SER C C 13 172.052 0.3 . 1 . . . . 72 SER C . 26631 1 298 . 1 1 72 72 SER CA C 13 56.878 0.3 . 1 . . . . 72 SER CA . 26631 1 299 . 1 1 72 72 SER CB C 13 64.913 0.3 . 1 . . . . 72 SER CB . 26631 1 300 . 1 1 72 72 SER N N 15 111.307 0.3 . 1 . . . . 72 SER N . 26631 1 301 . 1 1 73 73 CYS H H 1 8.723 0.020 . 1 . . . . 73 CYS H . 26631 1 302 . 1 1 73 73 CYS CA C 13 55.177 0.3 . 1 . . . . 73 CYS CA . 26631 1 303 . 1 1 73 73 CYS CB C 13 29.217 0.3 . 1 . . . . 73 CYS CB . 26631 1 304 . 1 1 73 73 CYS N N 15 122.089 0.3 . 1 . . . . 73 CYS N . 26631 1 305 . 1 1 74 74 PRO CA C 13 63.682 0.3 . 1 . . . . 74 PRO CA . 26631 1 306 . 1 1 74 74 PRO CB C 13 31.701 0.3 . 1 . . . . 74 PRO CB . 26631 1 307 . 1 1 75 75 LYS H H 1 7.680 0.020 . 1 . . . . 75 LYS H . 26631 1 308 . 1 1 75 75 LYS CA C 13 55.267 0.3 . 1 . . . . 75 LYS CA . 26631 1 309 . 1 1 75 75 LYS CB C 13 33.265 0.3 . 1 . . . . 75 LYS CB . 26631 1 310 . 1 1 75 75 LYS N N 15 118.928 0.3 . 1 . . . . 75 LYS N . 26631 1 311 . 1 1 76 76 SER CA C 13 60.752 0.3 . 1 . . . . 76 SER CA . 26631 1 312 . 1 1 76 76 SER CB C 13 63.574 0.3 . 1 . . . . 76 SER CB . 26631 1 313 . 1 1 77 77 GLU H H 1 7.663 0.020 . 1 . . . . 77 GLU H . 26631 1 314 . 1 1 77 77 GLU C C 13 174.371 0.3 . 1 . . . . 77 GLU C . 26631 1 315 . 1 1 77 77 GLU CA C 13 55.205 0.3 . 1 . . . . 77 GLU CA . 26631 1 316 . 1 1 77 77 GLU CB C 13 32.491 0.3 . 1 . . . . 77 GLU CB . 26631 1 317 . 1 1 77 77 GLU N N 15 115.249 0.3 . 1 . . . . 77 GLU N . 26631 1 318 . 1 1 78 78 VAL H H 1 8.861 0.020 . 1 . . . . 78 VAL H . 26631 1 319 . 1 1 78 78 VAL C C 13 173.996 0.3 . 1 . . . . 78 VAL C . 26631 1 320 . 1 1 78 78 VAL CA C 13 60.994 0.3 . 1 . . . . 78 VAL CA . 26631 1 321 . 1 1 78 78 VAL CB C 13 36.133 0.3 . 1 . . . . 78 VAL CB . 26631 1 322 . 1 1 78 78 VAL N N 15 118.333 0.3 . 1 . . . . 78 VAL N . 26631 1 323 . 1 1 79 79 ARG H H 1 9.271 0.020 . 1 . . . . 79 ARG H . 26631 1 324 . 1 1 79 79 ARG C C 13 175.144 0.3 . 1 . . . . 79 ARG C . 26631 1 325 . 1 1 79 79 ARG CA C 13 54.715 0.3 . 1 . . . . 79 ARG CA . 26631 1 326 . 1 1 79 79 ARG CB C 13 31.685 0.3 . 1 . . . . 79 ARG CB . 26631 1 327 . 1 1 79 79 ARG N N 15 125.642 0.3 . 1 . . . . 79 ARG N . 26631 1 328 . 1 1 80 80 ALA H H 1 9.394 0.020 . 1 . . . . 80 ALA H . 26631 1 329 . 1 1 80 80 ALA C C 13 176.877 0.3 . 1 . . . . 80 ALA C . 26631 1 330 . 1 1 80 80 ALA CA C 13 51.279 0.3 . 1 . . . . 80 ALA CA . 26631 1 331 . 1 1 80 80 ALA CB C 13 23.120 0.3 . 1 . . . . 80 ALA CB . 26631 1 332 . 1 1 80 80 ALA N N 15 123.467 0.3 . 1 . . . . 80 ALA N . 26631 1 333 . 1 1 81 81 LYS H H 1 8.904 0.020 . 1 . . . . 81 LYS H . 26631 1 334 . 1 1 81 81 LYS CA C 13 54.211 0.3 . 1 . . . . 81 LYS CA . 26631 1 335 . 1 1 81 81 LYS CB C 13 35.068 0.3 . 1 . . . . 81 LYS CB . 26631 1 336 . 1 1 81 81 LYS N N 15 121.759 0.3 . 1 . . . . 81 LYS N . 26631 1 337 . 1 1 82 82 PHE H H 1 7.658 0.020 . 1 . . . . 82 PHE H . 26631 1 338 . 1 1 82 82 PHE CA C 13 54.993 0.3 . 1 . . . . 82 PHE CA . 26631 1 339 . 1 1 82 82 PHE CB C 13 41.834 0.3 . 1 . . . . 82 PHE CB . 26631 1 340 . 1 1 82 82 PHE N N 15 113.562 0.3 . 1 . . . . 82 PHE N . 26631 1 341 . 1 1 83 83 LYS H H 1 8.605 0.020 . 1 . . . . 83 LYS H . 26631 1 342 . 1 1 83 83 LYS C C 13 174.465 0.3 . 1 . . . . 83 LYS C . 26631 1 343 . 1 1 83 83 LYS CA C 13 54.901 0.3 . 1 . . . . 83 LYS CA . 26631 1 344 . 1 1 83 83 LYS CB C 13 36.774 0.3 . 1 . . . . 83 LYS CB . 26631 1 345 . 1 1 83 83 LYS N N 15 121.566 0.3 . 1 . . . . 83 LYS N . 26631 1 346 . 1 1 84 84 PHE H H 1 9.054 0.020 . 1 . . . . 84 PHE H . 26631 1 347 . 1 1 84 84 PHE CA C 13 53.504 0.3 . 1 . . . . 84 PHE CA . 26631 1 348 . 1 1 84 84 PHE CB C 13 44.439 0.3 . 1 . . . . 84 PHE CB . 26631 1 349 . 1 1 84 84 PHE N N 15 124.006 0.3 . 1 . . . . 84 PHE N . 26631 1 350 . 1 1 85 85 SER H H 1 9.544 0.020 . 1 . . . . 85 SER H . 26631 1 351 . 1 1 85 85 SER C C 13 172.076 0.3 . 1 . . . . 85 SER C . 26631 1 352 . 1 1 85 85 SER CA C 13 57.787 0.3 . 1 . . . . 85 SER CA . 26631 1 353 . 1 1 85 85 SER CB C 13 65.972 0.3 . 1 . . . . 85 SER CB . 26631 1 354 . 1 1 85 85 SER N N 15 114.373 0.3 . 1 . . . . 85 SER N . 26631 1 355 . 1 1 86 86 ILE H H 1 8.700 0.020 . 1 . . . . 86 ILE H . 26631 1 356 . 1 1 86 86 ILE C C 13 175.894 0.3 . 1 . . . . 86 ILE C . 26631 1 357 . 1 1 86 86 ILE CA C 13 60.217 0.3 . 1 . . . . 86 ILE CA . 26631 1 358 . 1 1 86 86 ILE CB C 13 41.015 0.3 . 1 . . . . 86 ILE CB . 26631 1 359 . 1 1 86 86 ILE N N 15 119.146 0.3 . 1 . . . . 86 ILE N . 26631 1 360 . 1 1 87 87 LEU H H 1 8.266 0.020 . 1 . . . . 87 LEU H . 26631 1 361 . 1 1 87 87 LEU C C 13 176.924 0.3 . 1 . . . . 87 LEU C . 26631 1 362 . 1 1 87 87 LEU CA C 13 53.114 0.3 . 1 . . . . 87 LEU CA . 26631 1 363 . 1 1 87 87 LEU CB C 13 42.480 0.3 . 1 . . . . 87 LEU CB . 26631 1 364 . 1 1 87 87 LEU N N 15 126.086 0.3 . 1 . . . . 87 LEU N . 26631 1 365 . 1 1 88 88 ASN H H 1 8.469 0.020 . 1 . . . . 88 ASN H . 26631 1 366 . 1 1 88 88 ASN C C 13 177.580 0.3 . 1 . . . . 88 ASN C . 26631 1 367 . 1 1 88 88 ASN CA C 13 50.741 0.3 . 1 . . . . 88 ASN CA . 26631 1 368 . 1 1 88 88 ASN CB C 13 39.060 0.3 . 1 . . . . 88 ASN CB . 26631 1 369 . 1 1 88 88 ASN N N 15 120.661 0.3 . 1 . . . . 88 ASN N . 26631 1 370 . 1 1 89 89 ALA H H 1 8.699 0.020 . 1 . . . . 89 ALA H . 26631 1 371 . 1 1 89 89 ALA C C 13 178.681 0.3 . 1 . . . . 89 ALA C . 26631 1 372 . 1 1 89 89 ALA CA C 13 54.901 0.3 . 1 . . . . 89 ALA CA . 26631 1 373 . 1 1 89 89 ALA CB C 13 18.789 0.3 . 1 . . . . 89 ALA CB . 26631 1 374 . 1 1 89 89 ALA N N 15 119.856 0.3 . 1 . . . . 89 ALA N . 26631 1 375 . 1 1 90 90 LYS H H 1 7.487 0.020 . 1 . . . . 90 LYS H . 26631 1 376 . 1 1 90 90 LYS C C 13 176.643 0.3 . 1 . . . . 90 LYS C . 26631 1 377 . 1 1 90 90 LYS CA C 13 55.691 0.3 . 1 . . . . 90 LYS CA . 26631 1 378 . 1 1 90 90 LYS CB C 13 32.726 0.3 . 1 . . . . 90 LYS CB . 26631 1 379 . 1 1 90 90 LYS N N 15 115.428 0.3 . 1 . . . . 90 LYS N . 26631 1 380 . 1 1 91 91 GLY H H 1 8.372 0.020 . 1 . . . . 91 GLY H . 26631 1 381 . 1 1 91 91 GLY C C 13 173.645 0.3 . 1 . . . . 91 GLY C . 26631 1 382 . 1 1 91 91 GLY CA C 13 45.387 0.3 . 1 . . . . 91 GLY CA . 26631 1 383 . 1 1 91 91 GLY N N 15 108.576 0.3 . 1 . . . . 91 GLY N . 26631 1 384 . 1 1 92 92 GLU H H 1 7.808 0.020 . 1 . . . . 92 GLU H . 26631 1 385 . 1 1 92 92 GLU C C 13 176.268 0.3 . 1 . . . . 92 GLU C . 26631 1 386 . 1 1 92 92 GLU CA C 13 54.355 0.3 . 1 . . . . 92 GLU CA . 26631 1 387 . 1 1 92 92 GLU CB C 13 30.672 0.3 . 1 . . . . 92 GLU CB . 26631 1 388 . 1 1 92 92 GLU N N 15 119.253 0.3 . 1 . . . . 92 GLU N . 26631 1 389 . 1 1 93 93 GLU H H 1 8.596 0.020 . 1 . . . . 93 GLU H . 26631 1 390 . 1 1 93 93 GLU CA C 13 57.180 0.3 . 1 . . . . 93 GLU CA . 26631 1 391 . 1 1 93 93 GLU CB C 13 30.993 0.3 . 1 . . . . 93 GLU CB . 26631 1 392 . 1 1 93 93 GLU N N 15 122.003 0.3 . 1 . . . . 93 GLU N . 26631 1 393 . 1 1 94 94 THR H H 1 9.105 0.020 . 1 . . . . 94 THR H . 26631 1 394 . 1 1 94 94 THR C C 13 172.099 0.3 . 1 . . . . 94 THR C . 26631 1 395 . 1 1 94 94 THR CA C 13 61.502 0.3 . 1 . . . . 94 THR CA . 26631 1 396 . 1 1 94 94 THR CB C 13 70.579 0.3 . 1 . . . . 94 THR CB . 26631 1 397 . 1 1 94 94 THR N N 15 120.305 0.3 . 1 . . . . 94 THR N . 26631 1 398 . 1 1 95 95 LYS H H 1 8.276 0.020 . 1 . . . . 95 LYS H . 26631 1 399 . 1 1 95 95 LYS C C 13 174.207 0.3 . 1 . . . . 95 LYS C . 26631 1 400 . 1 1 95 95 LYS CA C 13 54.841 0.3 . 1 . . . . 95 LYS CA . 26631 1 401 . 1 1 95 95 LYS CB C 13 29.356 0.3 . 1 . . . . 95 LYS CB . 26631 1 402 . 1 1 95 95 LYS N N 15 119.753 0.3 . 1 . . . . 95 LYS N . 26631 1 403 . 1 1 96 96 ALA H H 1 7.928 0.020 . 1 . . . . 96 ALA H . 26631 1 404 . 1 1 96 96 ALA CA C 13 51.865 0.3 . 1 . . . . 96 ALA CA . 26631 1 405 . 1 1 96 96 ALA CB C 13 21.171 0.3 . 1 . . . . 96 ALA CB . 26631 1 406 . 1 1 96 96 ALA N N 15 118.964 0.3 . 1 . . . . 96 ALA N . 26631 1 407 . 1 1 97 97 MET H H 1 9.195 0.020 . 1 . . . . 97 MET H . 26631 1 408 . 1 1 97 97 MET C C 13 173.622 0.3 . 1 . . . . 97 MET C . 26631 1 409 . 1 1 97 97 MET CA C 13 56.359 0.3 . 1 . . . . 97 MET CA . 26631 1 410 . 1 1 97 97 MET CB C 13 37.163 0.3 . 1 . . . . 97 MET CB . 26631 1 411 . 1 1 97 97 MET N N 15 120.271 0.3 . 1 . . . . 97 MET N . 26631 1 412 . 1 1 98 98 GLU H H 1 8.638 0.020 . 1 . . . . 98 GLU H . 26631 1 413 . 1 1 98 98 GLU CA C 13 53.955 0.3 . 1 . . . . 98 GLU CA . 26631 1 414 . 1 1 98 98 GLU CB C 13 33.495 0.3 . 1 . . . . 98 GLU CB . 26631 1 415 . 1 1 98 98 GLU N N 15 122.283 0.3 . 1 . . . . 98 GLU N . 26631 1 416 . 1 1 100 100 GLN CA C 13 57.357 0.3 . 1 . . . . 100 GLN CA . 26631 1 417 . 1 1 100 100 GLN CB C 13 28.526 0.3 . 1 . . . . 100 GLN CB . 26631 1 418 . 1 1 101 101 ARG CA C 13 53.324 0.3 . 1 . . . . 101 ARG CA . 26631 1 419 . 1 1 101 101 ARG CB C 13 32.008 0.3 . 1 . . . . 101 ARG CB . 26631 1 420 . 1 1 102 102 ALA CA C 13 51.145 0.3 . 1 . . . . 102 ALA CA . 26631 1 421 . 1 1 102 102 ALA CB C 13 18.444 0.3 . 1 . . . . 102 ALA CB . 26631 1 422 . 1 1 103 103 TYR H H 1 8.795 0.020 . 1 . . . . 103 TYR H . 26631 1 423 . 1 1 103 103 TYR C C 13 174.348 0.3 . 1 . . . . 103 TYR C . 26631 1 424 . 1 1 103 103 TYR CA C 13 57.924 0.3 . 1 . . . . 103 TYR CA . 26631 1 425 . 1 1 103 103 TYR CB C 13 40.754 0.3 . 1 . . . . 103 TYR CB . 26631 1 426 . 1 1 103 103 TYR N N 15 124.035 0.3 . 1 . . . . 103 TYR N . 26631 1 427 . 1 1 104 104 ARG H H 1 8.585 0.020 . 1 . . . . 104 ARG H . 26631 1 428 . 1 1 104 104 ARG C C 13 176.550 0.3 . 1 . . . . 104 ARG C . 26631 1 429 . 1 1 104 104 ARG CA C 13 56.238 0.3 . 1 . . . . 104 ARG CA . 26631 1 430 . 1 1 104 104 ARG CB C 13 30.691 0.3 . 1 . . . . 104 ARG CB . 26631 1 431 . 1 1 104 104 ARG N N 15 120.577 0.3 . 1 . . . . 104 ARG N . 26631 1 432 . 1 1 105 105 PHE H H 1 10.356 0.020 . 1 . . . . 105 PHE H . 26631 1 433 . 1 1 105 105 PHE C C 13 174.137 0.3 . 1 . . . . 105 PHE C . 26631 1 434 . 1 1 105 105 PHE CA C 13 58.878 0.3 . 1 . . . . 105 PHE CA . 26631 1 435 . 1 1 105 105 PHE CB C 13 42.701 0.3 . 1 . . . . 105 PHE CB . 26631 1 436 . 1 1 105 105 PHE N N 15 130.601 0.3 . 1 . . . . 105 PHE N . 26631 1 437 . 1 1 106 106 VAL H H 1 6.673 0.020 . 1 . . . . 106 VAL H . 26631 1 438 . 1 1 106 106 VAL C C 13 175.214 0.3 . 1 . . . . 106 VAL C . 26631 1 439 . 1 1 106 106 VAL CA C 13 58.849 0.3 . 1 . . . . 106 VAL CA . 26631 1 440 . 1 1 106 106 VAL CB C 13 35.061 0.3 . 1 . . . . 106 VAL CB . 26631 1 441 . 1 1 106 106 VAL N N 15 110.805 0.3 . 1 . . . . 106 VAL N . 26631 1 442 . 1 1 107 107 GLN H H 1 8.985 0.020 . 1 . . . . 107 GLN H . 26631 1 443 . 1 1 107 107 GLN C C 13 176.854 0.3 . 1 . . . . 107 GLN C . 26631 1 444 . 1 1 107 107 GLN CA C 13 59.609 0.3 . 1 . . . . 107 GLN CA . 26631 1 445 . 1 1 107 107 GLN CB C 13 28.506 0.3 . 1 . . . . 107 GLN CB . 26631 1 446 . 1 1 107 107 GLN N N 15 121.733 0.3 . 1 . . . . 107 GLN N . 26631 1 447 . 1 1 108 108 GLY H H 1 9.302 0.020 . 1 . . . . 108 GLY H . 26631 1 448 . 1 1 108 108 GLY C C 13 172.919 0.3 . 1 . . . . 108 GLY C . 26631 1 449 . 1 1 108 108 GLY CA C 13 45.275 0.3 . 1 . . . . 108 GLY CA . 26631 1 450 . 1 1 108 108 GLY N N 15 114.994 0.3 . 1 . . . . 108 GLY N . 26631 1 451 . 1 1 109 109 LYS H H 1 8.448 0.020 . 1 . . . . 109 LYS H . 26631 1 452 . 1 1 109 109 LYS C C 13 173.177 0.3 . 1 . . . . 109 LYS C . 26631 1 453 . 1 1 109 109 LYS CA C 13 54.409 0.3 . 1 . . . . 109 LYS CA . 26631 1 454 . 1 1 109 109 LYS CB C 13 34.977 0.3 . 1 . . . . 109 LYS CB . 26631 1 455 . 1 1 109 109 LYS N N 15 123.042 0.3 . 1 . . . . 109 LYS N . 26631 1 456 . 1 1 110 110 ASP H H 1 7.840 0.020 . 1 . . . . 110 ASP H . 26631 1 457 . 1 1 110 110 ASP CA C 13 50.686 0.3 . 1 . . . . 110 ASP CA . 26631 1 458 . 1 1 110 110 ASP CB C 13 44.425 0.3 . 1 . . . . 110 ASP CB . 26631 1 459 . 1 1 110 110 ASP N N 15 122.732 0.3 . 1 . . . . 110 ASP N . 26631 1 460 . 1 1 111 111 TRP H H 1 8.575 0.020 . 1 . . . . 111 TRP H . 26631 1 461 . 1 1 111 111 TRP C C 13 175.847 0.3 . 1 . . . . 111 TRP C . 26631 1 462 . 1 1 111 111 TRP CA C 13 56.862 0.3 . 1 . . . . 111 TRP CA . 26631 1 463 . 1 1 111 111 TRP CB C 13 34.947 0.3 . 1 . . . . 111 TRP CB . 26631 1 464 . 1 1 111 111 TRP N N 15 115.111 0.3 . 1 . . . . 111 TRP N . 26631 1 465 . 1 1 112 112 GLY H H 1 9.360 0.020 . 1 . . . . 112 GLY H . 26631 1 466 . 1 1 112 112 GLY C C 13 169.429 0.3 . 1 . . . . 112 GLY C . 26631 1 467 . 1 1 112 112 GLY CA C 13 46.619 0.3 . 1 . . . . 112 GLY CA . 26631 1 468 . 1 1 112 112 GLY N N 15 108.065 0.3 . 1 . . . . 112 GLY N . 26631 1 469 . 1 1 113 113 PHE H H 1 8.332 0.020 . 1 . . . . 113 PHE H . 26631 1 470 . 1 1 113 113 PHE C C 13 174.301 0.3 . 1 . . . . 113 PHE C . 26631 1 471 . 1 1 113 113 PHE CA C 13 55.761 0.3 . 1 . . . . 113 PHE CA . 26631 1 472 . 1 1 113 113 PHE CB C 13 41.864 0.3 . 1 . . . . 113 PHE CB . 26631 1 473 . 1 1 113 113 PHE N N 15 117.394 0.3 . 1 . . . . 113 PHE N . 26631 1 474 . 1 1 114 114 LYS H H 1 9.265 0.020 . 1 . . . . 114 LYS H . 26631 1 475 . 1 1 114 114 LYS C C 13 176.877 0.3 . 1 . . . . 114 LYS C . 26631 1 476 . 1 1 114 114 LYS CA C 13 59.133 0.3 . 1 . . . . 114 LYS CA . 26631 1 477 . 1 1 114 114 LYS CB C 13 32.738 0.3 . 1 . . . . 114 LYS CB . 26631 1 478 . 1 1 114 114 LYS N N 15 126.137 0.3 . 1 . . . . 114 LYS N . 26631 1 479 . 1 1 115 115 LYS H H 1 8.589 0.020 . 1 . . . . 115 LYS H . 26631 1 480 . 1 1 115 115 LYS C C 13 174.775 0.3 . 1 . . . . 115 LYS C . 26631 1 481 . 1 1 115 115 LYS CA C 13 53.155 0.3 . 1 . . . . 115 LYS CA . 26631 1 482 . 1 1 115 115 LYS CB C 13 31.084 0.3 . 1 . . . . 115 LYS CB . 26631 1 483 . 1 1 115 115 LYS N N 15 118.348 0.3 . 1 . . . . 115 LYS N . 26631 1 484 . 1 1 116 116 PHE H H 1 7.923 0.020 . 1 . . . . 116 PHE H . 26631 1 485 . 1 1 116 116 PHE C C 13 174.863 0.3 . 1 . . . . 116 PHE C . 26631 1 486 . 1 1 116 116 PHE CA C 13 60.926 0.3 . 1 . . . . 116 PHE CA . 26631 1 487 . 1 1 116 116 PHE CB C 13 39.199 0.3 . 1 . . . . 116 PHE CB . 26631 1 488 . 1 1 116 116 PHE N N 15 120.664 0.3 . 1 . . . . 116 PHE N . 26631 1 489 . 1 1 117 117 ILE H H 1 7.489 0.020 . 1 . . . . 117 ILE H . 26631 1 490 . 1 1 117 117 ILE C C 13 172.778 0.3 . 1 . . . . 117 ILE C . 26631 1 491 . 1 1 117 117 ILE CA C 13 59.628 0.3 . 1 . . . . 117 ILE CA . 26631 1 492 . 1 1 117 117 ILE CB C 13 40.623 0.3 . 1 . . . . 117 ILE CB . 26631 1 493 . 1 1 117 117 ILE N N 15 110.200 0.3 . 1 . . . . 117 ILE N . 26631 1 494 . 1 1 118 118 ARG H H 1 8.602 0.020 . 1 . . . . 118 ARG H . 26631 1 495 . 1 1 118 118 ARG C C 13 177.604 0.3 . 1 . . . . 118 ARG C . 26631 1 496 . 1 1 118 118 ARG CA C 13 57.519 0.3 . 1 . . . . 118 ARG CA . 26631 1 497 . 1 1 118 118 ARG CB C 13 31.144 0.3 . 1 . . . . 118 ARG CB . 26631 1 498 . 1 1 118 118 ARG N N 15 128.774 0.3 . 1 . . . . 118 ARG N . 26631 1 499 . 1 1 119 119 ARG H H 1 8.909 0.020 . 1 . . . . 119 ARG H . 26631 1 500 . 1 1 119 119 ARG C C 13 177.393 0.3 . 1 . . . . 119 ARG C . 26631 1 501 . 1 1 119 119 ARG CA C 13 60.534 0.3 . 1 . . . . 119 ARG CA . 26631 1 502 . 1 1 119 119 ARG CB C 13 30.189 0.3 . 1 . . . . 119 ARG CB . 26631 1 503 . 1 1 119 119 ARG N N 15 125.944 0.3 . 1 . . . . 119 ARG N . 26631 1 504 . 1 1 120 120 ASP H H 1 9.264 0.020 . 1 . . . . 120 ASP H . 26631 1 505 . 1 1 120 120 ASP C C 13 177.932 0.3 . 1 . . . . 120 ASP C . 26631 1 506 . 1 1 120 120 ASP CA C 13 56.409 0.3 . 1 . . . . 120 ASP CA . 26631 1 507 . 1 1 120 120 ASP CB C 13 38.617 0.3 . 1 . . . . 120 ASP CB . 26631 1 508 . 1 1 120 120 ASP N N 15 117.102 0.3 . 1 . . . . 120 ASP N . 26631 1 509 . 1 1 121 121 PHE H H 1 7.375 0.020 . 1 . . . . 121 PHE H . 26631 1 510 . 1 1 121 121 PHE C C 13 177.816 0.3 . 1 . . . . 121 PHE C . 26631 1 511 . 1 1 121 121 PHE CA C 13 60.429 0.3 . 1 . . . . 121 PHE CA . 26631 1 512 . 1 1 121 121 PHE CB C 13 40.297 0.3 . 1 . . . . 121 PHE CB . 26631 1 513 . 1 1 121 121 PHE N N 15 122.302 0.3 . 1 . . . . 121 PHE N . 26631 1 514 . 1 1 122 122 LEU H H 1 7.745 0.020 . 1 . . . . 122 LEU H . 26631 1 515 . 1 1 122 122 LEU C C 13 177.229 0.3 . 1 . . . . 122 LEU C . 26631 1 516 . 1 1 122 122 LEU CA C 13 57.969 0.3 . 1 . . . . 122 LEU CA . 26631 1 517 . 1 1 122 122 LEU CB C 13 43.032 0.3 . 1 . . . . 122 LEU CB . 26631 1 518 . 1 1 122 122 LEU N N 15 118.938 0.3 . 1 . . . . 122 LEU N . 26631 1 519 . 1 1 123 123 LEU H H 1 8.062 0.020 . 1 . . . . 123 LEU H . 26631 1 520 . 1 1 123 123 LEU C C 13 177.112 0.3 . 1 . . . . 123 LEU C . 26631 1 521 . 1 1 123 123 LEU CA C 13 55.764 0.3 . 1 . . . . 123 LEU CA . 26631 1 522 . 1 1 123 123 LEU CB C 13 42.014 0.3 . 1 . . . . 123 LEU CB . 26631 1 523 . 1 1 123 123 LEU N N 15 113.302 0.3 . 1 . . . . 123 LEU N . 26631 1 524 . 1 1 124 124 ASP H H 1 6.906 0.020 . 1 . . . . 124 ASP H . 26631 1 525 . 1 1 124 124 ASP C C 13 178.306 0.3 . 1 . . . . 124 ASP C . 26631 1 526 . 1 1 124 124 ASP CA C 13 53.838 0.3 . 1 . . . . 124 ASP CA . 26631 1 527 . 1 1 124 124 ASP CB C 13 40.212 0.3 . 1 . . . . 124 ASP CB . 26631 1 528 . 1 1 124 124 ASP N N 15 119.166 0.3 . 1 . . . . 124 ASP N . 26631 1 529 . 1 1 125 125 GLU H H 1 9.359 0.020 . 1 . . . . 125 GLU H . 26631 1 530 . 1 1 125 125 GLU C C 13 178.025 0.3 . 1 . . . . 125 GLU C . 26631 1 531 . 1 1 125 125 GLU CA C 13 59.092 0.3 . 1 . . . . 125 GLU CA . 26631 1 532 . 1 1 125 125 GLU CB C 13 29.523 0.3 . 1 . . . . 125 GLU CB . 26631 1 533 . 1 1 125 125 GLU N N 15 132.407 0.3 . 1 . . . . 125 GLU N . 26631 1 534 . 1 1 126 126 ALA H H 1 8.456 0.020 . 1 . . . . 126 ALA H . 26631 1 535 . 1 1 126 126 ALA C C 13 179.337 0.3 . 1 . . . . 126 ALA C . 26631 1 536 . 1 1 126 126 ALA CA C 13 54.341 0.3 . 1 . . . . 126 ALA CA . 26631 1 537 . 1 1 126 126 ALA CB C 13 18.595 0.3 . 1 . . . . 126 ALA CB . 26631 1 538 . 1 1 126 126 ALA N N 15 121.900 0.3 . 1 . . . . 126 ALA N . 26631 1 539 . 1 1 127 127 ASN H H 1 7.742 0.020 . 1 . . . . 127 ASN H . 26631 1 540 . 1 1 127 127 ASN C C 13 177.135 0.3 . 1 . . . . 127 ASN C . 26631 1 541 . 1 1 127 127 ASN CA C 13 53.746 0.3 . 1 . . . . 127 ASN CA . 26631 1 542 . 1 1 127 127 ASN CB C 13 38.072 0.3 . 1 . . . . 127 ASN CB . 26631 1 543 . 1 1 127 127 ASN N N 15 111.566 0.3 . 1 . . . . 127 ASN N . 26631 1 544 . 1 1 128 128 GLY H H 1 7.564 0.020 . 1 . . . . 128 GLY H . 26631 1 545 . 1 1 128 128 GLY C C 13 174.160 0.3 . 1 . . . . 128 GLY C . 26631 1 546 . 1 1 128 128 GLY CA C 13 47.641 0.3 . 1 . . . . 128 GLY CA . 26631 1 547 . 1 1 128 128 GLY N N 15 106.607 0.3 . 1 . . . . 128 GLY N . 26631 1 548 . 1 1 129 129 LEU H H 1 8.559 0.020 . 1 . . . . 129 LEU H . 26631 1 549 . 1 1 129 129 LEU C C 13 174.863 0.3 . 1 . . . . 129 LEU C . 26631 1 550 . 1 1 129 129 LEU CA C 13 54.780 0.3 . 1 . . . . 129 LEU CA . 26631 1 551 . 1 1 129 129 LEU CB C 13 42.493 0.3 . 1 . . . . 129 LEU CB . 26631 1 552 . 1 1 129 129 LEU N N 15 116.091 0.3 . 1 . . . . 129 LEU N . 26631 1 553 . 1 1 130 130 LEU H H 1 8.013 0.020 . 1 . . . . 130 LEU H . 26631 1 554 . 1 1 130 130 LEU C C 13 175.495 0.3 . 1 . . . . 130 LEU C . 26631 1 555 . 1 1 130 130 LEU CA C 13 51.196 0.3 . 1 . . . . 130 LEU CA . 26631 1 556 . 1 1 130 130 LEU CB C 13 43.845 0.3 . 1 . . . . 130 LEU CB . 26631 1 557 . 1 1 130 130 LEU N N 15 117.964 0.3 . 1 . . . . 130 LEU N . 26631 1 558 . 1 1 131 131 PRO CA C 13 63.648 0.3 . 1 . . . . 131 PRO CA . 26631 1 559 . 1 1 131 131 PRO CB C 13 30.920 0.3 . 1 . . . . 131 PRO CB . 26631 1 560 . 1 1 132 132 ASP H H 1 9.215 0.020 . 1 . . . . 132 ASP H . 26631 1 561 . 1 1 132 132 ASP C C 13 175.425 0.3 . 1 . . . . 132 ASP C . 26631 1 562 . 1 1 132 132 ASP CA C 13 55.839 0.3 . 1 . . . . 132 ASP CA . 26631 1 563 . 1 1 132 132 ASP CB C 13 40.297 0.3 . 1 . . . . 132 ASP CB . 26631 1 564 . 1 1 132 132 ASP N N 15 122.392 0.3 . 1 . . . . 132 ASP N . 26631 1 565 . 1 1 133 133 ASP H H 1 8.464 0.020 . 1 . . . . 133 ASP H . 26631 1 566 . 1 1 133 133 ASP C C 13 173.715 0.3 . 1 . . . . 133 ASP C . 26631 1 567 . 1 1 133 133 ASP CA C 13 55.326 0.3 . 1 . . . . 133 ASP CA . 26631 1 568 . 1 1 133 133 ASP CB C 13 41.206 0.3 . 1 . . . . 133 ASP CB . 26631 1 569 . 1 1 133 133 ASP N N 15 115.462 0.3 . 1 . . . . 133 ASP N . 26631 1 570 . 1 1 134 134 LYS H H 1 7.332 0.020 . 1 . . . . 134 LYS H . 26631 1 571 . 1 1 134 134 LYS C C 13 175.214 0.3 . 1 . . . . 134 LYS C . 26631 1 572 . 1 1 134 134 LYS CA C 13 55.034 0.3 . 1 . . . . 134 LYS CA . 26631 1 573 . 1 1 134 134 LYS CB C 13 34.513 0.3 . 1 . . . . 134 LYS CB . 26631 1 574 . 1 1 134 134 LYS N N 15 117.843 0.3 . 1 . . . . 134 LYS N . 26631 1 575 . 1 1 135 135 LEU H H 1 8.346 0.020 . 1 . . . . 135 LEU H . 26631 1 576 . 1 1 135 135 LEU C C 13 174.980 0.3 . 1 . . . . 135 LEU C . 26631 1 577 . 1 1 135 135 LEU CA C 13 52.602 0.3 . 1 . . . . 135 LEU CA . 26631 1 578 . 1 1 135 135 LEU CB C 13 44.125 0.3 . 1 . . . . 135 LEU CB . 26631 1 579 . 1 1 135 135 LEU N N 15 125.595 0.3 . 1 . . . . 135 LEU N . 26631 1 580 . 1 1 136 136 THR H H 1 9.897 0.020 . 1 . . . . 136 THR H . 26631 1 581 . 1 1 136 136 THR C C 13 172.872 0.3 . 1 . . . . 136 THR C . 26631 1 582 . 1 1 136 136 THR CA C 13 62.560 0.3 . 1 . . . . 136 THR CA . 26631 1 583 . 1 1 136 136 THR CB C 13 68.964 0.3 . 1 . . . . 136 THR CB . 26631 1 584 . 1 1 136 136 THR N N 15 125.428 0.3 . 1 . . . . 136 THR N . 26631 1 585 . 1 1 137 137 LEU H H 1 9.136 0.020 . 1 . . . . 137 LEU H . 26631 1 586 . 1 1 137 137 LEU C C 13 174.723 0.3 . 1 . . . . 137 LEU C . 26631 1 587 . 1 1 137 137 LEU CA C 13 52.654 0.3 . 1 . . . . 137 LEU CA . 26631 1 588 . 1 1 137 137 LEU CB C 13 45.338 0.3 . 1 . . . . 137 LEU CB . 26631 1 589 . 1 1 137 137 LEU N N 15 126.833 0.3 . 1 . . . . 137 LEU N . 26631 1 590 . 1 1 138 138 PHE H H 1 9.251 0.020 . 1 . . . . 138 PHE H . 26631 1 591 . 1 1 138 138 PHE C C 13 173.926 0.3 . 1 . . . . 138 PHE C . 26631 1 592 . 1 1 138 138 PHE CA C 13 55.904 0.3 . 1 . . . . 138 PHE CA . 26631 1 593 . 1 1 138 138 PHE CB C 13 42.314 0.3 . 1 . . . . 138 PHE CB . 26631 1 594 . 1 1 138 138 PHE N N 15 122.432 0.3 . 1 . . . . 138 PHE N . 26631 1 595 . 1 1 139 139 CYS H H 1 8.615 0.020 . 1 . . . . 139 CYS H . 26631 1 596 . 1 1 139 139 CYS C C 13 172.240 0.3 . 1 . . . . 139 CYS C . 26631 1 597 . 1 1 139 139 CYS CA C 13 55.717 0.3 . 1 . . . . 139 CYS CA . 26631 1 598 . 1 1 139 139 CYS CB C 13 30.782 0.3 . 1 . . . . 139 CYS CB . 26631 1 599 . 1 1 139 139 CYS N N 15 126.142 0.3 . 1 . . . . 139 CYS N . 26631 1 600 . 1 1 140 140 GLU H H 1 8.725 0.020 . 1 . . . . 140 GLU H . 26631 1 601 . 1 1 140 140 GLU C C 13 174.652 0.3 . 1 . . . . 140 GLU C . 26631 1 602 . 1 1 140 140 GLU CA C 13 54.745 0.3 . 1 . . . . 140 GLU CA . 26631 1 603 . 1 1 140 140 GLU CB C 13 33.878 0.3 . 1 . . . . 140 GLU CB . 26631 1 604 . 1 1 140 140 GLU N N 15 126.924 0.3 . 1 . . . . 140 GLU N . 26631 1 605 . 1 1 141 141 VAL H H 1 8.619 0.020 . 1 . . . . 141 VAL H . 26631 1 606 . 1 1 141 141 VAL CA C 13 60.945 0.3 . 1 . . . . 141 VAL CA . 26631 1 607 . 1 1 141 141 VAL CB C 13 33.415 0.3 . 1 . . . . 141 VAL CB . 26631 1 608 . 1 1 141 141 VAL N N 15 127.852 0.3 . 1 . . . . 141 VAL N . 26631 1 609 . 1 1 142 142 SER H H 1 8.536 0.020 . 1 . . . . 142 SER H . 26631 1 610 . 1 1 142 142 SER C C 13 173.809 0.3 . 1 . . . . 142 SER C . 26631 1 611 . 1 1 142 142 SER CA C 13 56.307 0.3 . 1 . . . . 142 SER CA . 26631 1 612 . 1 1 142 142 SER CB C 13 64.231 0.3 . 1 . . . . 142 SER CB . 26631 1 613 . 1 1 142 142 SER N N 15 120.449 0.3 . 1 . . . . 142 SER N . 26631 1 614 . 1 1 143 143 VAL H H 1 9.315 0.020 . 1 . . . . 143 VAL H . 26631 1 615 . 1 1 143 143 VAL C C 13 175.941 0.3 . 1 . . . . 143 VAL C . 26631 1 616 . 1 1 143 143 VAL CA C 13 62.399 0.3 . 1 . . . . 143 VAL CA . 26631 1 617 . 1 1 143 143 VAL CB C 13 33.480 0.3 . 1 . . . . 143 VAL CB . 26631 1 618 . 1 1 143 143 VAL N N 15 126.994 0.3 . 1 . . . . 143 VAL N . 26631 1 619 . 1 1 144 144 VAL H H 1 8.670 0.020 . 1 . . . . 144 VAL H . 26631 1 620 . 1 1 144 144 VAL C C 13 175.901 0.3 . 1 . . . . 144 VAL C . 26631 1 621 . 1 1 144 144 VAL CA C 13 62.660 0.3 . 1 . . . . 144 VAL CA . 26631 1 622 . 1 1 144 144 VAL CB C 13 32.562 0.3 . 1 . . . . 144 VAL CB . 26631 1 623 . 1 1 144 144 VAL N N 15 127.781 0.3 . 1 . . . . 144 VAL N . 26631 1 624 . 1 1 145 145 GLN H H 1 8.622 0.020 . 1 . . . . 145 GLN H . 26631 1 625 . 1 1 145 145 GLN C C 13 174.605 0.3 . 1 . . . . 145 GLN C . 26631 1 626 . 1 1 145 145 GLN CA C 13 55.478 0.3 . 1 . . . . 145 GLN CA . 26631 1 627 . 1 1 145 145 GLN CB C 13 30.179 0.3 . 1 . . . . 145 GLN CB . 26631 1 628 . 1 1 145 145 GLN N N 15 126.251 0.3 . 1 . . . . 145 GLN N . 26631 1 629 . 1 1 146 146 ASP H H 1 8.118 0.020 . 1 . . . . 146 ASP H . 26631 1 630 . 1 1 146 146 ASP C C 13 180.930 0.3 . 1 . . . . 146 ASP C . 26631 1 631 . 1 1 146 146 ASP CA C 13 55.880 0.3 . 1 . . . . 146 ASP CA . 26631 1 632 . 1 1 146 146 ASP CB C 13 41.725 0.3 . 1 . . . . 146 ASP CB . 26631 1 633 . 1 1 146 146 ASP N N 15 128.159 0.3 . 1 . . . . 146 ASP N . 26631 1 stop_ save_