data_16718 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16718 _Entry.Title ; Backbone chemical shifts of NI2C DARPin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-10 _Entry.Accession_date 2010-02-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Svava Wetzel . K. . 16718 2 Christina Ewald . . . 16718 3 Simon Jurt . . . 16718 4 Oliver Zerbe . . . 16718 5 Andreas Plueckthun . . . 16718 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16718 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 16718 '15N chemical shifts' 118 16718 '1H chemical shifts' 118 16718 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 . . 2010-09-08 2010-02-10 update BMRB 'complete entry citation' 16718 1 . . 2010-08-12 2010-02-10 original author 'original release' 16718 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16716 'NI3C_Mut5 DARPin' 16718 BMRB 16717 'NI3C DARPin' 16718 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16718 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20654623 _Citation.Full_citation . _Citation.Title 'Residue-Resolved Stability of Full-Consensus Ankyrin Repeat Proteins Probed by NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 402 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 241 _Citation.Page_last 258 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Svava Wetzel . K. . 16718 1 2 Christina Ewald . . . 16718 1 3 Giovanni Settanni . . . 16718 1 4 Simon Jurt . . . 16718 1 5 Andreas Pluckthun . . . 16718 1 6 Oliver Zerbe . . . 16718 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DARPin 16718 1 Exchange 16718 1 'Repeat proteins' 16718 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16718 _Assembly.ID 1 _Assembly.Name 'NI2C monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14370.7 _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 'NI2C monomer' 1 $NI2C A . yes native no no . . . 16718 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'engeniered enzyme' 16718 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NI2C _Entity.Sf_category entity _Entity.Sf_framecode NI2C _Entity.Entry_ID 16718 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NI2C _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 ; MRGSHHHHHHGSDLGKKLLE AARAGQDDEVRILMANGADV NAKDKDGYTPLHLAAREGHL EIVEVLLKAGADVNAKDKDG YTPLHLAAREGHLEIVEVLL KAGADVNAQDKFGKTAFDIS IDNGNEDLAEILQ ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14370.7 _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 . 16718 1 2 . ARG . 16718 1 3 . GLY . 16718 1 4 . SER . 16718 1 5 . HIS . 16718 1 6 . HIS . 16718 1 7 . HIS . 16718 1 8 . HIS . 16718 1 9 . HIS . 16718 1 10 . HIS . 16718 1 11 . GLY . 16718 1 12 . SER . 16718 1 13 . ASP . 16718 1 14 . LEU . 16718 1 15 . GLY . 16718 1 16 . LYS . 16718 1 17 . LYS . 16718 1 18 . LEU . 16718 1 19 . LEU . 16718 1 20 . GLU . 16718 1 21 . ALA . 16718 1 22 . ALA . 16718 1 23 . ARG . 16718 1 24 . ALA . 16718 1 25 . GLY . 16718 1 26 . GLN . 16718 1 27 . ASP . 16718 1 28 . ASP . 16718 1 29 . GLU . 16718 1 30 . VAL . 16718 1 31 . ARG . 16718 1 32 . ILE . 16718 1 33 . LEU . 16718 1 34 . MET . 16718 1 35 . ALA . 16718 1 36 . ASN . 16718 1 37 . GLY . 16718 1 38 . ALA . 16718 1 39 . ASP . 16718 1 40 . VAL . 16718 1 41 . ASN . 16718 1 42 . ALA . 16718 1 43 . LYS . 16718 1 44 . ASP . 16718 1 45 . LYS . 16718 1 46 . ASP . 16718 1 47 . GLY . 16718 1 48 . TYR . 16718 1 49 . THR . 16718 1 50 . PRO . 16718 1 51 . LEU . 16718 1 52 . HIS . 16718 1 53 . LEU . 16718 1 54 . ALA . 16718 1 55 . ALA . 16718 1 56 . ARG . 16718 1 57 . GLU . 16718 1 58 . GLY . 16718 1 59 . HIS . 16718 1 60 . LEU . 16718 1 61 . GLU . 16718 1 62 . ILE . 16718 1 63 . VAL . 16718 1 64 . GLU . 16718 1 65 . VAL . 16718 1 66 . LEU . 16718 1 67 . LEU . 16718 1 68 . LYS . 16718 1 69 . ALA . 16718 1 70 . GLY . 16718 1 71 . ALA . 16718 1 72 . ASP . 16718 1 73 . VAL . 16718 1 74 . ASN . 16718 1 75 . ALA . 16718 1 76 . LYS . 16718 1 77 . ASP . 16718 1 78 . LYS . 16718 1 79 . ASP . 16718 1 80 . GLY . 16718 1 81 . TYR . 16718 1 82 . THR . 16718 1 83 . PRO . 16718 1 84 . LEU . 16718 1 85 . HIS . 16718 1 86 . LEU . 16718 1 87 . ALA . 16718 1 88 . ALA . 16718 1 89 . ARG . 16718 1 90 . GLU . 16718 1 91 . GLY . 16718 1 92 . HIS . 16718 1 93 . LEU . 16718 1 94 . GLU . 16718 1 95 . ILE . 16718 1 96 . VAL . 16718 1 97 . GLU . 16718 1 98 . VAL . 16718 1 99 . LEU . 16718 1 100 . LEU . 16718 1 101 . LYS . 16718 1 102 . ALA . 16718 1 103 . GLY . 16718 1 104 . ALA . 16718 1 105 . ASP . 16718 1 106 . VAL . 16718 1 107 . ASN . 16718 1 108 . ALA . 16718 1 109 . GLN . 16718 1 110 . ASP . 16718 1 111 . LYS . 16718 1 112 . PHE . 16718 1 113 . GLY . 16718 1 114 . LYS . 16718 1 115 . THR . 16718 1 116 . ALA . 16718 1 117 . PHE . 16718 1 118 . ASP . 16718 1 119 . ILE . 16718 1 120 . SER . 16718 1 121 . ILE . 16718 1 122 . ASP . 16718 1 123 . ASN . 16718 1 124 . GLY . 16718 1 125 . ASN . 16718 1 126 . GLU . 16718 1 127 . ASP . 16718 1 128 . LEU . 16718 1 129 . ALA . 16718 1 130 . GLU . 16718 1 131 . ILE . 16718 1 132 . LEU . 16718 1 133 . GLN . 16718 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 16718 1 . ARG 2 2 16718 1 . GLY 3 3 16718 1 . SER 4 4 16718 1 . HIS 5 5 16718 1 . HIS 6 6 16718 1 . HIS 7 7 16718 1 . HIS 8 8 16718 1 . HIS 9 9 16718 1 . HIS 10 10 16718 1 . GLY 11 11 16718 1 . SER 12 12 16718 1 . ASP 13 13 16718 1 . LEU 14 14 16718 1 . GLY 15 15 16718 1 . LYS 16 16 16718 1 . LYS 17 17 16718 1 . LEU 18 18 16718 1 . LEU 19 19 16718 1 . GLU 20 20 16718 1 . ALA 21 21 16718 1 . ALA 22 22 16718 1 . ARG 23 23 16718 1 . ALA 24 24 16718 1 . GLY 25 25 16718 1 . GLN 26 26 16718 1 . ASP 27 27 16718 1 . ASP 28 28 16718 1 . GLU 29 29 16718 1 . VAL 30 30 16718 1 . ARG 31 31 16718 1 . ILE 32 32 16718 1 . LEU 33 33 16718 1 . MET 34 34 16718 1 . ALA 35 35 16718 1 . ASN 36 36 16718 1 . GLY 37 37 16718 1 . ALA 38 38 16718 1 . ASP 39 39 16718 1 . VAL 40 40 16718 1 . ASN 41 41 16718 1 . ALA 42 42 16718 1 . LYS 43 43 16718 1 . ASP 44 44 16718 1 . LYS 45 45 16718 1 . ASP 46 46 16718 1 . GLY 47 47 16718 1 . TYR 48 48 16718 1 . THR 49 49 16718 1 . PRO 50 50 16718 1 . LEU 51 51 16718 1 . HIS 52 52 16718 1 . LEU 53 53 16718 1 . ALA 54 54 16718 1 . ALA 55 55 16718 1 . ARG 56 56 16718 1 . GLU 57 57 16718 1 . GLY 58 58 16718 1 . HIS 59 59 16718 1 . LEU 60 60 16718 1 . GLU 61 61 16718 1 . ILE 62 62 16718 1 . VAL 63 63 16718 1 . GLU 64 64 16718 1 . VAL 65 65 16718 1 . LEU 66 66 16718 1 . LEU 67 67 16718 1 . LYS 68 68 16718 1 . ALA 69 69 16718 1 . GLY 70 70 16718 1 . ALA 71 71 16718 1 . ASP 72 72 16718 1 . VAL 73 73 16718 1 . ASN 74 74 16718 1 . ALA 75 75 16718 1 . LYS 76 76 16718 1 . ASP 77 77 16718 1 . LYS 78 78 16718 1 . ASP 79 79 16718 1 . GLY 80 80 16718 1 . TYR 81 81 16718 1 . THR 82 82 16718 1 . PRO 83 83 16718 1 . LEU 84 84 16718 1 . HIS 85 85 16718 1 . LEU 86 86 16718 1 . ALA 87 87 16718 1 . ALA 88 88 16718 1 . ARG 89 89 16718 1 . GLU 90 90 16718 1 . GLY 91 91 16718 1 . HIS 92 92 16718 1 . LEU 93 93 16718 1 . GLU 94 94 16718 1 . ILE 95 95 16718 1 . VAL 96 96 16718 1 . GLU 97 97 16718 1 . VAL 98 98 16718 1 . LEU 99 99 16718 1 . LEU 100 100 16718 1 . LYS 101 101 16718 1 . ALA 102 102 16718 1 . GLY 103 103 16718 1 . ALA 104 104 16718 1 . ASP 105 105 16718 1 . VAL 106 106 16718 1 . ASN 107 107 16718 1 . ALA 108 108 16718 1 . GLN 109 109 16718 1 . ASP 110 110 16718 1 . LYS 111 111 16718 1 . PHE 112 112 16718 1 . GLY 113 113 16718 1 . LYS 114 114 16718 1 . THR 115 115 16718 1 . ALA 116 116 16718 1 . PHE 117 117 16718 1 . ASP 118 118 16718 1 . ILE 119 119 16718 1 . SER 120 120 16718 1 . ILE 121 121 16718 1 . ASP 122 122 16718 1 . ASN 123 123 16718 1 . GLY 124 124 16718 1 . ASN 125 125 16718 1 . GLU 126 126 16718 1 . ASP 127 127 16718 1 . LEU 128 128 16718 1 . ALA 129 129 16718 1 . GLU 130 130 16718 1 . ILE 131 131 16718 1 . LEU 132 132 16718 1 . GLN 133 133 16718 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 16718 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NI2C . . 'no natural source' . . . . . . . . . M15 . . . . . . . . . . . . . . . . . . . . 16718 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 16718 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NI2C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli M15 . . . . . . . . . . . . . . . pSW_NI2C . . . pQE30-based . . 16718 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16718 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '700 uM solution of NI2C in 50 mM phosphate buffer, 150 mM NaCl, pH 7.4' _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 NI2C '[U-99% 15N]' . . 1 $NI2C . . 700 . . uM . . . . 16718 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16718 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16718 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16718 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16718 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16718 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '700 μM solution of NI2C in 50 mM phosphate buffer, 150 mM NaCl, pH 7.4' _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 NI2C '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $NI2C . . 700 . . uM . . . . 16718 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16718 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16718 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16718 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16718 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 16718 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 16718 1 pH 7.4 . pH 16718 1 pressure 1 . atm 16718 1 temperature 310 . K 16718 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16718 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16718 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16718 1 processing 16718 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16718 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R. Keller' . . 16718 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16718 2 'data analysis' 16718 2 'peak picking' 16718 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 16718 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16718 _NMR_spectrometer.ID 2 _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 16718 _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 . 700 . . . 16718 1 2 spectrometer_2 Bruker Avance . 600 . . . 16718 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 16718 _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 . . . . . . . . . . . . . . . . . . . . . 16718 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16718 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16718 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16718 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16718 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16718 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16718 1 8 '3D HN(COCA)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16718 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 16718 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.63 na indirect 0.251449530 . . . . . . . . . 16718 1 H 1 water protons . . . . ppm 4.63 internal direct 1.0 . . . . . . . . . 16718 1 N 15 water protons . . . . ppm 4.63 na indirect 0.101329118 . . . . . . . . . 16718 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 16718 _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 3 '3D HNCACB' . . . 16718 1 4 '3D HN(CO)CACB' . . . 16718 1 7 '3D 1H-15N NOESY' . . . 16718 1 8 '3D HN(COCA)NH' . . . 16718 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 2 $CARA . . 16718 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 14 14 LEU H H 1 8.228 0.002 . 1 . . . . 14 LEU H . 16718 1 2 . 1 1 14 14 LEU CA C 13 57.165 0.01 . 1 . . . . 14 LEU CA . 16718 1 3 . 1 1 14 14 LEU CB C 13 40.449 0.01 . 1 . . . . 14 LEU CB . 16718 1 4 . 1 1 14 14 LEU CG C 13 25.871 0.01 . 1 . . . . 14 LEU CG . 16718 1 5 . 1 1 14 14 LEU N N 15 120.797 0.02 . 1 . . . . 14 LEU N . 16718 1 6 . 1 1 15 15 GLY H H 1 8.134 0.002 . 1 . . . . 15 GLY H . 16718 1 7 . 1 1 15 15 GLY CA C 13 46.992 0.01 . 1 . . . . 15 GLY CA . 16718 1 8 . 1 1 15 15 GLY N N 15 107.435 0.02 . 1 . . . . 15 GLY N . 16718 1 9 . 1 1 16 16 LYS H H 1 7.616 0.002 . 1 . . . . 16 LYS H . 16718 1 10 . 1 1 16 16 LYS CA C 13 59.011 0.01 . 1 . . . . 16 LYS CA . 16718 1 11 . 1 1 16 16 LYS CB C 13 31.235 0.01 . 1 . . . . 16 LYS CB . 16718 1 12 . 1 1 16 16 LYS CG C 13 24.064 0.01 . 1 . . . . 16 LYS CG . 16718 1 13 . 1 1 16 16 LYS N N 15 120.589 0.02 . 1 . . . . 16 LYS N . 16718 1 14 . 1 1 17 17 LYS H H 1 7.562 0.002 . 1 . . . . 17 LYS H . 16718 1 15 . 1 1 17 17 LYS CA C 13 58.482 0.01 . 1 . . . . 17 LYS CA . 16718 1 16 . 1 1 17 17 LYS CB C 13 31.254 0.01 . 1 . . . . 17 LYS CB . 16718 1 17 . 1 1 17 17 LYS CG C 13 24.427 0.01 . 1 . . . . 17 LYS CG . 16718 1 18 . 1 1 17 17 LYS N N 15 117.490 0.02 . 1 . . . . 17 LYS N . 16718 1 19 . 1 1 18 18 LEU H H 1 8.298 0.002 . 1 . . . . 18 LEU H . 16718 1 20 . 1 1 18 18 LEU CA C 13 57.580 0.01 . 1 . . . . 18 LEU CA . 16718 1 21 . 1 1 18 18 LEU CB C 13 40.058 0.01 . 1 . . . . 18 LEU CB . 16718 1 22 . 1 1 18 18 LEU CG C 13 26.512 0.01 . 1 . . . . 18 LEU CG . 16718 1 23 . 1 1 18 18 LEU N N 15 123.302 0.02 . 1 . . . . 18 LEU N . 16718 1 24 . 1 1 19 19 LEU H H 1 8.053 0.002 . 1 . . . . 19 LEU H . 16718 1 25 . 1 1 19 19 LEU CA C 13 59.000 0.01 . 1 . . . . 19 LEU CA . 16718 1 26 . 1 1 19 19 LEU CB C 13 41.091 0.01 . 1 . . . . 19 LEU CB . 16718 1 27 . 1 1 19 19 LEU CG C 13 26.970 0.01 . 1 . . . . 19 LEU CG . 16718 1 28 . 1 1 19 19 LEU N N 15 120.242 0.02 . 1 . . . . 19 LEU N . 16718 1 29 . 1 1 20 20 GLU H H 1 7.336 0.002 . 1 . . . . 20 GLU H . 16718 1 30 . 1 1 20 20 GLU CA C 13 58.233 0.01 . 1 . . . . 20 GLU CA . 16718 1 31 . 1 1 20 20 GLU CB C 13 28.252 0.01 . 1 . . . . 20 GLU CB . 16718 1 32 . 1 1 20 20 GLU CG C 13 34.887 0.01 . 1 . . . . 20 GLU CG . 16718 1 33 . 1 1 20 20 GLU N N 15 115.909 0.02 . 1 . . . . 20 GLU N . 16718 1 34 . 1 1 21 21 ALA H H 1 8.213 0.002 . 1 . . . . 21 ALA H . 16718 1 35 . 1 1 21 21 ALA CA C 13 54.396 0.01 . 1 . . . . 21 ALA CA . 16718 1 36 . 1 1 21 21 ALA CB C 13 17.776 0.01 . 1 . . . . 21 ALA CB . 16718 1 37 . 1 1 21 21 ALA N N 15 122.197 0.02 . 1 . . . . 21 ALA N . 16718 1 38 . 1 1 22 22 ALA H H 1 8.481 0.002 . 1 . . . . 22 ALA H . 16718 1 39 . 1 1 22 22 ALA CA C 13 54.438 0.01 . 1 . . . . 22 ALA CA . 16718 1 40 . 1 1 22 22 ALA CB C 13 17.531 0.01 . 1 . . . . 22 ALA CB . 16718 1 41 . 1 1 22 22 ALA N N 15 119.421 0.02 . 1 . . . . 22 ALA N . 16718 1 42 . 1 1 23 23 ARG H H 1 7.650 0.002 . 1 . . . . 23 ARG H . 16718 1 43 . 1 1 23 23 ARG CA C 13 58.479 0.01 . 1 . . . . 23 ARG CA . 16718 1 44 . 1 1 23 23 ARG CB C 13 29.225 0.01 . 1 . . . . 23 ARG CB . 16718 1 45 . 1 1 23 23 ARG CG C 13 25.492 0.01 . 1 . . . . 23 ARG CG . 16718 1 46 . 1 1 23 23 ARG N N 15 115.518 0.02 . 1 . . . . 23 ARG N . 16718 1 47 . 1 1 24 24 ALA H H 1 7.911 0.002 . 1 . . . . 24 ALA H . 16718 1 48 . 1 1 24 24 ALA CA C 13 51.999 0.01 . 1 . . . . 24 ALA CA . 16718 1 49 . 1 1 24 24 ALA CB C 13 18.387 0.01 . 1 . . . . 24 ALA CB . 16718 1 50 . 1 1 24 24 ALA N N 15 116.777 0.02 . 1 . . . . 24 ALA N . 16718 1 51 . 1 1 25 25 GLY H H 1 7.247 0.002 . 1 . . . . 25 GLY H . 16718 1 52 . 1 1 25 25 GLY CA C 13 43.647 0.01 . 1 . . . . 25 GLY CA . 16718 1 53 . 1 1 25 25 GLY N N 15 107.557 0.02 . 1 . . . . 25 GLY N . 16718 1 54 . 1 1 26 26 GLN H H 1 7.789 0.002 . 1 . . . . 26 GLN H . 16718 1 55 . 1 1 26 26 GLN CA C 13 53.286 0.01 . 1 . . . . 26 GLN CA . 16718 1 56 . 1 1 26 26 GLN CB C 13 26.561 0.01 . 1 . . . . 26 GLN CB . 16718 1 57 . 1 1 26 26 GLN CG C 13 32.397 0.01 . 1 . . . . 26 GLN CG . 16718 1 58 . 1 1 26 26 GLN N N 15 119.989 0.02 . 1 . . . . 26 GLN N . 16718 1 59 . 1 1 27 27 ASP H H 1 8.281 0.002 . 1 . . . . 27 ASP H . 16718 1 60 . 1 1 27 27 ASP CA C 13 57.558 0.01 . 1 . . . . 27 ASP CA . 16718 1 61 . 1 1 27 27 ASP CB C 13 39.697 0.01 . 1 . . . . 27 ASP CB . 16718 1 62 . 1 1 27 27 ASP N N 15 123.454 0.02 . 1 . . . . 27 ASP N . 16718 1 63 . 1 1 28 28 ASP H H 1 8.423 0.002 . 1 . . . . 28 ASP H . 16718 1 64 . 1 1 28 28 ASP CA C 13 56.740 0.01 . 1 . . . . 28 ASP CA . 16718 1 65 . 1 1 28 28 ASP CB C 13 38.917 0.01 . 1 . . . . 28 ASP CB . 16718 1 66 . 1 1 28 28 ASP N N 15 117.833 0.02 . 1 . . . . 28 ASP N . 16718 1 67 . 1 1 29 29 GLU H H 1 7.434 0.002 . 1 . . . . 29 GLU H . 16718 1 68 . 1 1 29 29 GLU CA C 13 58.233 0.01 . 1 . . . . 29 GLU CA . 16718 1 69 . 1 1 29 29 GLU CB C 13 28.511 0.01 . 1 . . . . 29 GLU CB . 16718 1 70 . 1 1 29 29 GLU CG C 13 34.490 0.01 . 1 . . . . 29 GLU CG . 16718 1 71 . 1 1 29 29 GLU N N 15 120.442 0.02 . 1 . . . . 29 GLU N . 16718 1 72 . 1 1 30 30 VAL H H 1 7.969 0.002 . 1 . . . . 30 VAL H . 16718 1 73 . 1 1 30 30 VAL CA C 13 66.806 0.01 . 1 . . . . 30 VAL CA . 16718 1 74 . 1 1 30 30 VAL CB C 13 30.239 0.01 . 1 . . . . 30 VAL CB . 16718 1 75 . 1 1 30 30 VAL N N 15 117.630 0.02 . 1 . . . . 30 VAL N . 16718 1 76 . 1 1 31 31 ARG H H 1 7.458 0.002 . 1 . . . . 31 ARG H . 16718 1 77 . 1 1 31 31 ARG CA C 13 59.958 0.01 . 1 . . . . 31 ARG CA . 16718 1 78 . 1 1 31 31 ARG CB C 13 29.026 0.01 . 1 . . . . 31 ARG CB . 16718 1 79 . 1 1 31 31 ARG CG C 13 27.649 0.01 . 1 . . . . 31 ARG CG . 16718 1 80 . 1 1 31 31 ARG N N 15 116.441 0.02 . 1 . . . . 31 ARG N . 16718 1 81 . 1 1 32 32 ILE H H 1 7.903 0.002 . 1 . . . . 32 ILE H . 16718 1 82 . 1 1 32 32 ILE CA C 13 64.008 0.01 . 1 . . . . 32 ILE CA . 16718 1 83 . 1 1 32 32 ILE CB C 13 37.386 0.01 . 1 . . . . 32 ILE CB . 16718 1 84 . 1 1 32 32 ILE CG1 C 13 25.611 0.01 . 1 . . . . 32 ILE CG1 . 16718 1 85 . 1 1 32 32 ILE N N 15 121.590 0.02 . 1 . . . . 32 ILE N . 16718 1 86 . 1 1 33 33 LEU H H 1 8.546 0.002 . 1 . . . . 33 LEU H . 16718 1 87 . 1 1 33 33 LEU CA C 13 57.830 0.01 . 1 . . . . 33 LEU CA . 16718 1 88 . 1 1 33 33 LEU CB C 13 40.568 0.01 . 1 . . . . 33 LEU CB . 16718 1 89 . 1 1 33 33 LEU CG C 13 26.308 0.01 . 1 . . . . 33 LEU CG . 16718 1 90 . 1 1 33 33 LEU N N 15 121.471 0.02 . 1 . . . . 33 LEU N . 16718 1 91 . 1 1 34 34 MET H H 1 8.249 0.002 . 1 . . . . 34 MET H . 16718 1 92 . 1 1 34 34 MET CA C 13 58.689 0.01 . 1 . . . . 34 MET CA . 16718 1 93 . 1 1 34 34 MET CB C 13 31.410 0.01 . 1 . . . . 34 MET CB . 16718 1 94 . 1 1 34 34 MET CG C 13 30.398 0.01 . 1 . . . . 34 MET CG . 16718 1 95 . 1 1 34 34 MET N N 15 117.300 0.02 . 1 . . . . 34 MET N . 16718 1 96 . 1 1 35 35 ALA H H 1 7.895 0.002 . 1 . . . . 35 ALA H . 16718 1 97 . 1 1 35 35 ALA CA C 13 54.185 0.01 . 1 . . . . 35 ALA CA . 16718 1 98 . 1 1 35 35 ALA CB C 13 16.736 0.01 . 1 . . . . 35 ALA CB . 16718 1 99 . 1 1 35 35 ALA N N 15 123.492 0.02 . 1 . . . . 35 ALA N . 16718 1 100 . 1 1 36 36 ASN H H 1 7.586 0.002 . 1 . . . . 36 ASN H . 16718 1 101 . 1 1 36 36 ASN CA C 13 52.830 0.01 . 1 . . . . 36 ASN CA . 16718 1 102 . 1 1 36 36 ASN CB C 13 38.788 0.01 . 1 . . . . 36 ASN CB . 16718 1 103 . 1 1 36 36 ASN N N 15 115.091 0.02 . 1 . . . . 36 ASN N . 16718 1 104 . 1 1 37 37 GLY H H 1 7.554 0.002 . 1 . . . . 37 GLY H . 16718 1 105 . 1 1 37 37 GLY CA C 13 45.104 0.01 . 1 . . . . 37 GLY CA . 16718 1 106 . 1 1 37 37 GLY N N 15 104.829 0.02 . 1 . . . . 37 GLY N . 16718 1 107 . 1 1 38 38 ALA H H 1 7.929 0.002 . 1 . . . . 38 ALA H . 16718 1 108 . 1 1 38 38 ALA CA C 13 52.325 0.01 . 1 . . . . 38 ALA CA . 16718 1 109 . 1 1 38 38 ALA CB C 13 19.871 0.01 . 1 . . . . 38 ALA CB . 16718 1 110 . 1 1 38 38 ALA N N 15 122.273 0.02 . 1 . . . . 38 ALA N . 16718 1 111 . 1 1 39 39 ASP H H 1 8.028 0.002 . 1 . . . . 39 ASP H . 16718 1 112 . 1 1 39 39 ASP CA C 13 53.118 0.01 . 1 . . . . 39 ASP CA . 16718 1 113 . 1 1 39 39 ASP CB C 13 40.429 0.01 . 1 . . . . 39 ASP CB . 16718 1 114 . 1 1 39 39 ASP N N 15 120.917 0.02 . 1 . . . . 39 ASP N . 16718 1 115 . 1 1 40 40 VAL H H 1 8.008 0.002 . 1 . . . . 40 VAL H . 16718 1 116 . 1 1 40 40 VAL CA C 13 63.003 0.01 . 1 . . . . 40 VAL CA . 16718 1 117 . 1 1 40 40 VAL CB C 13 30.653 0.01 . 1 . . . . 40 VAL CB . 16718 1 118 . 1 1 40 40 VAL N N 15 122.998 0.02 . 1 . . . . 40 VAL N . 16718 1 119 . 1 1 41 41 ASN H H 1 8.216 0.002 . 1 . . . . 41 ASN H . 16718 1 120 . 1 1 41 41 ASN CA C 13 52.240 0.01 . 1 . . . . 41 ASN CA . 16718 1 121 . 1 1 41 41 ASN CB C 13 38.717 0.01 . 1 . . . . 41 ASN CB . 16718 1 122 . 1 1 41 41 ASN N N 15 116.179 0.02 . 1 . . . . 41 ASN N . 16718 1 123 . 1 1 42 42 ALA H H 1 7.062 0.002 . 1 . . . . 42 ALA H . 16718 1 124 . 1 1 42 42 ALA CA C 13 52.870 0.01 . 1 . . . . 42 ALA CA . 16718 1 125 . 1 1 42 42 ALA CB C 13 18.133 0.01 . 1 . . . . 42 ALA CB . 16718 1 126 . 1 1 42 42 ALA N N 15 123.061 0.02 . 1 . . . . 42 ALA N . 16718 1 127 . 1 1 43 43 LYS H H 1 7.552 0.002 . 1 . . . . 43 LYS H . 16718 1 128 . 1 1 43 43 LYS CA C 13 53.330 0.01 . 1 . . . . 43 LYS CA . 16718 1 129 . 1 1 43 43 LYS CB C 13 35.951 0.01 . 1 . . . . 43 LYS CB . 16718 1 130 . 1 1 43 43 LYS CG C 13 23.484 0.01 . 1 . . . . 43 LYS CG . 16718 1 131 . 1 1 43 43 LYS N N 15 113.591 0.02 . 1 . . . . 43 LYS N . 16718 1 132 . 1 1 44 44 ASP H H 1 8.545 0.002 . 1 . . . . 44 ASP H . 16718 1 133 . 1 1 44 44 ASP CA C 13 51.201 0.01 . 1 . . . . 44 ASP CA . 16718 1 134 . 1 1 44 44 ASP CB C 13 41.111 0.01 . 1 . . . . 44 ASP CB . 16718 1 135 . 1 1 44 44 ASP N N 15 123.077 0.02 . 1 . . . . 44 ASP N . 16718 1 136 . 1 1 45 45 LYS H H 1 8.157 0.002 . 1 . . . . 45 LYS H . 16718 1 137 . 1 1 45 45 LYS CA C 13 58.168 0.01 . 1 . . . . 45 LYS CA . 16718 1 138 . 1 1 45 45 LYS CB C 13 30.453 0.01 . 1 . . . . 45 LYS CB . 16718 1 139 . 1 1 45 45 LYS CG C 13 22.629 0.01 . 1 . . . . 45 LYS CG . 16718 1 140 . 1 1 45 45 LYS N N 15 116.551 0.02 . 1 . . . . 45 LYS N . 16718 1 141 . 1 1 46 46 ASP H H 1 8.117 0.002 . 1 . . . . 46 ASP H . 16718 1 142 . 1 1 46 46 ASP CA C 13 54.381 0.01 . 1 . . . . 46 ASP CA . 16718 1 143 . 1 1 46 46 ASP CB C 13 42.005 0.01 . 1 . . . . 46 ASP CB . 16718 1 144 . 1 1 46 46 ASP N N 15 120.117 0.02 . 1 . . . . 46 ASP N . 16718 1 145 . 1 1 47 47 GLY H H 1 8.027 0.002 . 1 . . . . 47 GLY H . 16718 1 146 . 1 1 47 47 GLY CA C 13 44.856 0.01 . 1 . . . . 47 GLY CA . 16718 1 147 . 1 1 47 47 GLY N N 15 107.274 0.02 . 1 . . . . 47 GLY N . 16718 1 148 . 1 1 48 48 TYR H H 1 8.203 0.002 . 1 . . . . 48 TYR H . 16718 1 149 . 1 1 48 48 TYR CA C 13 58.077 0.01 . 1 . . . . 48 TYR CA . 16718 1 150 . 1 1 48 48 TYR CB C 13 36.380 0.01 . 1 . . . . 48 TYR CB . 16718 1 151 . 1 1 48 48 TYR N N 15 119.650 0.02 . 1 . . . . 48 TYR N . 16718 1 152 . 1 1 49 49 THR H H 1 8.363 0.002 . 1 . . . . 49 THR H . 16718 1 153 . 1 1 49 49 THR CA C 13 58.901 0.01 . 1 . . . . 49 THR CA . 16718 1 154 . 1 1 49 49 THR CB C 13 69.830 0.01 . 1 . . . . 49 THR CB . 16718 1 155 . 1 1 49 49 THR CG2 C 13 21.149 0.01 . 1 . . . . 49 THR CG2 . 16718 1 156 . 1 1 49 49 THR N N 15 112.591 0.02 . 1 . . . . 49 THR N . 16718 1 157 . 1 1 51 51 LEU H H 1 8.301 0.002 . 1 . . . . 51 LEU H . 16718 1 158 . 1 1 51 51 LEU CA C 13 57.912 0.01 . 1 . . . . 51 LEU CA . 16718 1 159 . 1 1 51 51 LEU CB C 13 40.522 0.01 . 1 . . . . 51 LEU CB . 16718 1 160 . 1 1 51 51 LEU CG C 13 25.351 0.01 . 1 . . . . 51 LEU CG . 16718 1 161 . 1 1 51 51 LEU N N 15 116.255 0.02 . 1 . . . . 51 LEU N . 16718 1 162 . 1 1 52 52 HIS H H 1 7.692 0.002 . 1 . . . . 52 HIS H . 16718 1 163 . 1 1 52 52 HIS CA C 13 62.454 0.01 . 1 . . . . 52 HIS CA . 16718 1 164 . 1 1 52 52 HIS CB C 13 31.303 0.01 . 1 . . . . 52 HIS CB . 16718 1 165 . 1 1 52 52 HIS N N 15 115.584 0.02 . 1 . . . . 52 HIS N . 16718 1 166 . 1 1 53 53 LEU H H 1 7.442 0.002 . 1 . . . . 53 LEU H . 16718 1 167 . 1 1 53 53 LEU CA C 13 57.188 0.01 . 1 . . . . 53 LEU CA . 16718 1 168 . 1 1 53 53 LEU CB C 13 40.256 0.01 . 1 . . . . 53 LEU CB . 16718 1 169 . 1 1 53 53 LEU CG C 13 25.688 0.01 . 1 . . . . 53 LEU CG . 16718 1 170 . 1 1 53 53 LEU N N 15 114.584 0.02 . 1 . . . . 53 LEU N . 16718 1 171 . 1 1 54 54 ALA H H 1 8.353 0.002 . 1 . . . . 54 ALA H . 16718 1 172 . 1 1 54 54 ALA CA C 13 54.448 0.01 . 1 . . . . 54 ALA CA . 16718 1 173 . 1 1 54 54 ALA CB C 13 18.055 0.01 . 1 . . . . 54 ALA CB . 16718 1 174 . 1 1 54 54 ALA N N 15 119.767 0.02 . 1 . . . . 54 ALA N . 16718 1 175 . 1 1 55 55 ALA H H 1 8.203 0.002 . 1 . . . . 55 ALA H . 16718 1 176 . 1 1 55 55 ALA CA C 13 54.170 0.01 . 1 . . . . 55 ALA CA . 16718 1 177 . 1 1 55 55 ALA CB C 13 17.362 0.01 . 1 . . . . 55 ALA CB . 16718 1 178 . 1 1 55 55 ALA N N 15 118.525 0.02 . 1 . . . . 55 ALA N . 16718 1 179 . 1 1 56 56 ARG H H 1 8.112 0.002 . 1 . . . . 56 ARG H . 16718 1 180 . 1 1 56 56 ARG CA C 13 58.954 0.01 . 1 . . . . 56 ARG CA . 16718 1 181 . 1 1 56 56 ARG CB C 13 29.444 0.01 . 1 . . . . 56 ARG CB . 16718 1 182 . 1 1 56 56 ARG CG C 13 25.398 0.01 . 1 . . . . 56 ARG CG . 16718 1 183 . 1 1 56 56 ARG N N 15 118.890 0.02 . 1 . . . . 56 ARG N . 16718 1 184 . 1 1 57 57 GLU H H 1 7.143 0.002 . 1 . . . . 57 GLU H . 16718 1 185 . 1 1 57 57 GLU CA C 13 54.606 0.01 . 1 . . . . 57 GLU CA . 16718 1 186 . 1 1 57 57 GLU CB C 13 28.439 0.01 . 1 . . . . 57 GLU CB . 16718 1 187 . 1 1 57 57 GLU CG C 13 34.598 0.01 . 1 . . . . 57 GLU CG . 16718 1 188 . 1 1 57 57 GLU N N 15 112.422 0.02 . 1 . . . . 57 GLU N . 16718 1 189 . 1 1 58 58 GLY H H 1 7.304 0.002 . 1 . . . . 58 GLY H . 16718 1 190 . 1 1 58 58 GLY CA C 13 45.378 0.01 . 1 . . . . 58 GLY CA . 16718 1 191 . 1 1 58 58 GLY N N 15 105.770 0.02 . 1 . . . . 58 GLY N . 16718 1 192 . 1 1 59 59 HIS H H 1 7.700 0.002 . 1 . . . . 59 HIS H . 16718 1 193 . 1 1 59 59 HIS CA C 13 53.120 0.01 . 1 . . . . 59 HIS CA . 16718 1 194 . 1 1 59 59 HIS CB C 13 28.904 0.01 . 1 . . . . 59 HIS CB . 16718 1 195 . 1 1 59 59 HIS N N 15 119.427 0.02 . 1 . . . . 59 HIS N . 16718 1 196 . 1 1 60 60 LEU H H 1 8.077 0.002 . 1 . . . . 60 LEU H . 16718 1 197 . 1 1 60 60 LEU CA C 13 59.148 0.01 . 1 . . . . 60 LEU CA . 16718 1 198 . 1 1 60 60 LEU CB C 13 40.854 0.01 . 1 . . . . 60 LEU CB . 16718 1 199 . 1 1 60 60 LEU CG C 13 26.289 0.01 . 1 . . . . 60 LEU CG . 16718 1 200 . 1 1 60 60 LEU N N 15 127.718 0.02 . 1 . . . . 60 LEU N . 16718 1 201 . 1 1 61 61 GLU H H 1 9.145 0.002 . 1 . . . . 61 GLU H . 16718 1 202 . 1 1 61 61 GLU CA C 13 59.557 0.01 . 1 . . . . 61 GLU CA . 16718 1 203 . 1 1 61 61 GLU CB C 13 27.605 0.01 . 1 . . . . 61 GLU CB . 16718 1 204 . 1 1 61 61 GLU CG C 13 36.240 0.01 . 1 . . . . 61 GLU CG . 16718 1 205 . 1 1 61 61 GLU N N 15 116.740 0.02 . 1 . . . . 61 GLU N . 16718 1 206 . 1 1 62 62 ILE H H 1 7.219 0.002 . 1 . . . . 62 ILE H . 16718 1 207 . 1 1 62 62 ILE CA C 13 64.106 0.01 . 1 . . . . 62 ILE CA . 16718 1 208 . 1 1 62 62 ILE CB C 13 36.291 0.01 . 1 . . . . 62 ILE CB . 16718 1 209 . 1 1 62 62 ILE CG1 C 13 25.155 0.01 . 1 . . . . 62 ILE CG1 . 16718 1 210 . 1 1 62 62 ILE CG2 C 13 21.085 0.01 . 1 . . . . 62 ILE CG2 . 16718 1 211 . 1 1 62 62 ILE N N 15 117.466 0.02 . 1 . . . . 62 ILE N . 16718 1 212 . 1 1 63 63 VAL H H 1 7.943 0.002 . 1 . . . . 63 VAL H . 16718 1 213 . 1 1 63 63 VAL CA C 13 67.383 0.01 . 1 . . . . 63 VAL CA . 16718 1 214 . 1 1 63 63 VAL CB C 13 29.722 0.01 . 1 . . . . 63 VAL CB . 16718 1 215 . 1 1 63 63 VAL N N 15 120.303 0.02 . 1 . . . . 63 VAL N . 16718 1 216 . 1 1 64 64 GLU H H 1 8.087 0.002 . 1 . . . . 64 GLU H . 16718 1 217 . 1 1 64 64 GLU CA C 13 60.470 0.01 . 1 . . . . 64 GLU CA . 16718 1 218 . 1 1 64 64 GLU CB C 13 29.046 0.01 . 1 . . . . 64 GLU CB . 16718 1 219 . 1 1 64 64 GLU CG C 13 36.669 0.01 . 1 . . . . 64 GLU CG . 16718 1 220 . 1 1 64 64 GLU N N 15 115.674 0.02 . 1 . . . . 64 GLU N . 16718 1 221 . 1 1 65 65 VAL H H 1 7.830 0.002 . 1 . . . . 65 VAL H . 16718 1 222 . 1 1 65 65 VAL CA C 13 65.533 0.01 . 1 . . . . 65 VAL CA . 16718 1 223 . 1 1 65 65 VAL CB C 13 30.929 0.01 . 1 . . . . 65 VAL CB . 16718 1 224 . 1 1 65 65 VAL N N 15 118.922 0.02 . 1 . . . . 65 VAL N . 16718 1 225 . 1 1 66 66 LEU H H 1 8.356 0.002 . 1 . . . . 66 LEU H . 16718 1 226 . 1 1 66 66 LEU CA C 13 57.356 0.01 . 1 . . . . 66 LEU CA . 16718 1 227 . 1 1 66 66 LEU CB C 13 40.055 0.01 . 1 . . . . 66 LEU CB . 16718 1 228 . 1 1 66 66 LEU CG C 13 25.575 0.01 . 1 . . . . 66 LEU CG . 16718 1 229 . 1 1 66 66 LEU N N 15 120.601 0.02 . 1 . . . . 66 LEU N . 16718 1 230 . 1 1 67 67 LEU H H 1 8.369 0.002 . 1 . . . . 67 LEU H . 16718 1 231 . 1 1 67 67 LEU CA C 13 57.706 0.01 . 1 . . . . 67 LEU CA . 16718 1 232 . 1 1 67 67 LEU CB C 13 40.313 0.01 . 1 . . . . 67 LEU CB . 16718 1 233 . 1 1 67 67 LEU N N 15 119.077 0.02 . 1 . . . . 67 LEU N . 16718 1 234 . 1 1 68 68 LYS H H 1 7.880 0.002 . 1 . . . . 68 LYS H . 16718 1 235 . 1 1 68 68 LYS CA C 13 58.383 0.01 . 1 . . . . 68 LYS CA . 16718 1 236 . 1 1 68 68 LYS CB C 13 31.121 0.01 . 1 . . . . 68 LYS CB . 16718 1 237 . 1 1 68 68 LYS CG C 13 24.355 0.01 . 1 . . . . 68 LYS CG . 16718 1 238 . 1 1 68 68 LYS N N 15 120.552 0.02 . 1 . . . . 68 LYS N . 16718 1 239 . 1 1 69 69 ALA H H 1 7.344 0.002 . 1 . . . . 69 ALA H . 16718 1 240 . 1 1 69 69 ALA CA C 13 51.337 0.01 . 1 . . . . 69 ALA CA . 16718 1 241 . 1 1 69 69 ALA CB C 13 19.289 0.01 . 1 . . . . 69 ALA CB . 16718 1 242 . 1 1 69 69 ALA N N 15 119.352 0.02 . 1 . . . . 69 ALA N . 16718 1 243 . 1 1 70 70 GLY H H 1 7.539 0.002 . 1 . . . . 70 GLY H . 16718 1 244 . 1 1 70 70 GLY CA C 13 44.743 0.01 . 1 . . . . 70 GLY CA . 16718 1 245 . 1 1 70 70 GLY N N 15 103.899 0.02 . 1 . . . . 70 GLY N . 16718 1 246 . 1 1 71 71 ALA H H 1 7.865 0.002 . 1 . . . . 71 ALA H . 16718 1 247 . 1 1 71 71 ALA CA C 13 52.284 0.01 . 1 . . . . 71 ALA CA . 16718 1 248 . 1 1 71 71 ALA CB C 13 19.522 0.01 . 1 . . . . 71 ALA CB . 16718 1 249 . 1 1 71 71 ALA N N 15 122.864 0.02 . 1 . . . . 71 ALA N . 16718 1 250 . 1 1 72 72 ASP H H 1 8.601 0.002 . 1 . . . . 72 ASP H . 16718 1 251 . 1 1 72 72 ASP CA C 13 53.296 0.01 . 1 . . . . 72 ASP CA . 16718 1 252 . 1 1 72 72 ASP CB C 13 39.480 0.01 . 1 . . . . 72 ASP CB . 16718 1 253 . 1 1 72 72 ASP N N 15 120.202 0.02 . 1 . . . . 72 ASP N . 16718 1 254 . 1 1 73 73 VAL H H 1 8.188 0.002 . 1 . . . . 73 VAL H . 16718 1 255 . 1 1 73 73 VAL CA C 13 62.797 0.01 . 1 . . . . 73 VAL CA . 16718 1 256 . 1 1 73 73 VAL CB C 13 31.161 0.01 . 1 . . . . 73 VAL CB . 16718 1 257 . 1 1 73 73 VAL N N 15 127.712 0.02 . 1 . . . . 73 VAL N . 16718 1 258 . 1 1 74 74 ASN H H 1 7.945 0.002 . 1 . . . . 74 ASN H . 16718 1 259 . 1 1 74 74 ASN CA C 13 51.937 0.01 . 1 . . . . 74 ASN CA . 16718 1 260 . 1 1 74 74 ASN CB C 13 39.150 0.01 . 1 . . . . 74 ASN CB . 16718 1 261 . 1 1 74 74 ASN N N 15 115.302 0.02 . 1 . . . . 74 ASN N . 16718 1 262 . 1 1 75 75 ALA H H 1 6.538 0.002 . 1 . . . . 75 ALA H . 16718 1 263 . 1 1 75 75 ALA CA C 13 52.704 0.01 . 1 . . . . 75 ALA CA . 16718 1 264 . 1 1 75 75 ALA CB C 13 18.748 0.01 . 1 . . . . 75 ALA CB . 16718 1 265 . 1 1 75 75 ALA N N 15 122.643 0.02 . 1 . . . . 75 ALA N . 16718 1 266 . 1 1 76 76 LYS H H 1 8.305 0.002 . 1 . . . . 76 LYS H . 16718 1 267 . 1 1 76 76 LYS CA C 13 54.384 0.01 . 1 . . . . 76 LYS CA . 16718 1 268 . 1 1 76 76 LYS CB C 13 35.336 0.01 . 1 . . . . 76 LYS CB . 16718 1 269 . 1 1 76 76 LYS CG C 13 24.283 0.01 . 1 . . . . 76 LYS CG . 16718 1 270 . 1 1 76 76 LYS N N 15 118.049 0.02 . 1 . . . . 76 LYS N . 16718 1 271 . 1 1 77 77 ASP H H 1 8.382 0.002 . 1 . . . . 77 ASP H . 16718 1 272 . 1 1 77 77 ASP CA C 13 52.469 0.01 . 1 . . . . 77 ASP CA . 16718 1 273 . 1 1 77 77 ASP CB C 13 40.291 0.01 . 1 . . . . 77 ASP CB . 16718 1 274 . 1 1 77 77 ASP N N 15 124.860 0.02 . 1 . . . . 77 ASP N . 16718 1 275 . 1 1 78 78 LYS H H 1 7.554 0.002 . 1 . . . . 78 LYS H . 16718 1 276 . 1 1 78 78 LYS CA C 13 58.377 0.01 . 1 . . . . 78 LYS CA . 16718 1 277 . 1 1 78 78 LYS CB C 13 30.488 0.01 . 1 . . . . 78 LYS CB . 16718 1 278 . 1 1 78 78 LYS CG C 13 22.683 0.01 . 1 . . . . 78 LYS CG . 16718 1 279 . 1 1 78 78 LYS N N 15 115.153 0.02 . 1 . . . . 78 LYS N . 16718 1 280 . 1 1 79 79 ASP H H 1 8.398 0.002 . 1 . . . . 79 ASP H . 16718 1 281 . 1 1 79 79 ASP CA C 13 54.281 0.01 . 1 . . . . 79 ASP CA . 16718 1 282 . 1 1 79 79 ASP CB C 13 42.033 0.01 . 1 . . . . 79 ASP CB . 16718 1 283 . 1 1 79 79 ASP N N 15 121.192 0.02 . 1 . . . . 79 ASP N . 16718 1 284 . 1 1 80 80 GLY H H 1 7.914 0.002 . 1 . . . . 80 GLY H . 16718 1 285 . 1 1 80 80 GLY CA C 13 45.066 0.01 . 1 . . . . 80 GLY CA . 16718 1 286 . 1 1 80 80 GLY N N 15 107.521 0.02 . 1 . . . . 80 GLY N . 16718 1 287 . 1 1 81 81 TYR H H 1 8.926 0.002 . 1 . . . . 81 TYR H . 16718 1 288 . 1 1 81 81 TYR CA C 13 56.978 0.01 . 1 . . . . 81 TYR CA . 16718 1 289 . 1 1 81 81 TYR CB C 13 36.223 0.01 . 1 . . . . 81 TYR CB . 16718 1 290 . 1 1 81 81 TYR N N 15 119.904 0.02 . 1 . . . . 81 TYR N . 16718 1 291 . 1 1 82 82 THR H H 1 9.905 0.002 . 1 . . . . 82 THR H . 16718 1 292 . 1 1 82 82 THR CA C 13 59.412 0.01 . 1 . . . . 82 THR CA . 16718 1 293 . 1 1 82 82 THR CB C 13 69.011 0.01 . 1 . . . . 82 THR CB . 16718 1 294 . 1 1 82 82 THR CG2 C 13 21.088 0.01 . 1 . . . . 82 THR CG2 . 16718 1 295 . 1 1 82 82 THR N N 15 119.237 0.02 . 1 . . . . 82 THR N . 16718 1 296 . 1 1 84 84 LEU H H 1 8.707 0.002 . 1 . . . . 84 LEU H . 16718 1 297 . 1 1 84 84 LEU CA C 13 57.391 0.01 . 1 . . . . 84 LEU CA . 16718 1 298 . 1 1 84 84 LEU CB C 13 40.564 0.01 . 1 . . . . 84 LEU CB . 16718 1 299 . 1 1 84 84 LEU CG C 13 25.668 0.01 . 1 . . . . 84 LEU CG . 16718 1 300 . 1 1 84 84 LEU N N 15 115.969 0.02 . 1 . . . . 84 LEU N . 16718 1 301 . 1 1 85 85 HIS H H 1 7.816 0.002 . 1 . . . . 85 HIS H . 16718 1 302 . 1 1 85 85 HIS CA C 13 63.654 0.01 . 1 . . . . 85 HIS CA . 16718 1 303 . 1 1 85 85 HIS CB C 13 31.140 0.01 . 1 . . . . 85 HIS CB . 16718 1 304 . 1 1 85 85 HIS N N 15 115.801 0.02 . 1 . . . . 85 HIS N . 16718 1 305 . 1 1 86 86 LEU H H 1 7.523 0.002 . 1 . . . . 86 LEU H . 16718 1 306 . 1 1 86 86 LEU CA C 13 57.138 0.01 . 1 . . . . 86 LEU CA . 16718 1 307 . 1 1 86 86 LEU CB C 13 40.100 0.01 . 1 . . . . 86 LEU CB . 16718 1 308 . 1 1 86 86 LEU CG C 13 25.621 0.01 . 1 . . . . 86 LEU CG . 16718 1 309 . 1 1 86 86 LEU N N 15 114.962 0.02 . 1 . . . . 86 LEU N . 16718 1 310 . 1 1 87 87 ALA H H 1 8.569 0.002 . 1 . . . . 87 ALA H . 16718 1 311 . 1 1 87 87 ALA CA C 13 54.513 0.01 . 1 . . . . 87 ALA CA . 16718 1 312 . 1 1 87 87 ALA CB C 13 18.142 0.01 . 1 . . . . 87 ALA CB . 16718 1 313 . 1 1 87 87 ALA N N 15 119.586 0.02 . 1 . . . . 87 ALA N . 16718 1 314 . 1 1 88 88 ALA H H 1 8.055 0.002 . 1 . . . . 88 ALA H . 16718 1 315 . 1 1 88 88 ALA CA C 13 54.518 0.01 . 1 . . . . 88 ALA CA . 16718 1 316 . 1 1 88 88 ALA CB C 13 17.777 0.01 . 1 . . . . 88 ALA CB . 16718 1 317 . 1 1 88 88 ALA N N 15 117.914 0.02 . 1 . . . . 88 ALA N . 16718 1 318 . 1 1 89 89 ARG H H 1 8.054 0.002 . 1 . . . . 89 ARG H . 16718 1 319 . 1 1 89 89 ARG CA C 13 58.505 0.01 . 1 . . . . 89 ARG CA . 16718 1 320 . 1 1 89 89 ARG CB C 13 30.201 0.01 . 1 . . . . 89 ARG CB . 16718 1 321 . 1 1 89 89 ARG CG C 13 25.358 0.01 . 1 . . . . 89 ARG CG . 16718 1 322 . 1 1 89 89 ARG N N 15 115.238 0.02 . 1 . . . . 89 ARG N . 16718 1 323 . 1 1 90 90 GLU H H 1 7.664 0.002 . 1 . . . . 90 GLU H . 16718 1 324 . 1 1 90 90 GLU CA C 13 55.102 0.01 . 1 . . . . 90 GLU CA . 16718 1 325 . 1 1 90 90 GLU CB C 13 28.720 0.01 . 1 . . . . 90 GLU CB . 16718 1 326 . 1 1 90 90 GLU CG C 13 35.294 0.01 . 1 . . . . 90 GLU CG . 16718 1 327 . 1 1 90 90 GLU N N 15 111.987 0.02 . 1 . . . . 90 GLU N . 16718 1 328 . 1 1 91 91 GLY H H 1 6.936 0.002 . 1 . . . . 91 GLY H . 16718 1 329 . 1 1 91 91 GLY CA C 13 43.690 0.01 . 1 . . . . 91 GLY CA . 16718 1 330 . 1 1 91 91 GLY N N 15 105.083 0.02 . 1 . . . . 91 GLY N . 16718 1 331 . 1 1 92 92 HIS H H 1 7.778 0.002 . 1 . . . . 92 HIS H . 16718 1 332 . 1 1 92 92 HIS CA C 13 52.983 0.01 . 1 . . . . 92 HIS CA . 16718 1 333 . 1 1 92 92 HIS CB C 13 28.848 0.01 . 1 . . . . 92 HIS CB . 16718 1 334 . 1 1 92 92 HIS N N 15 120.917 0.02 . 1 . . . . 92 HIS N . 16718 1 335 . 1 1 93 93 LEU H H 1 7.870 0.002 . 1 . . . . 93 LEU H . 16718 1 336 . 1 1 93 93 LEU CA C 13 58.845 0.01 . 1 . . . . 93 LEU CA . 16718 1 337 . 1 1 93 93 LEU CB C 13 40.792 0.01 . 1 . . . . 93 LEU CB . 16718 1 338 . 1 1 93 93 LEU CG C 13 26.075 0.01 . 1 . . . . 93 LEU CG . 16718 1 339 . 1 1 93 93 LEU N N 15 128.010 0.02 . 1 . . . . 93 LEU N . 16718 1 340 . 1 1 94 94 GLU H H 1 8.897 0.002 . 1 . . . . 94 GLU H . 16718 1 341 . 1 1 94 94 GLU CA C 13 59.622 0.01 . 1 . . . . 94 GLU CA . 16718 1 342 . 1 1 94 94 GLU CB C 13 27.314 0.01 . 1 . . . . 94 GLU CB . 16718 1 343 . 1 1 94 94 GLU CG C 13 35.924 0.01 . 1 . . . . 94 GLU CG . 16718 1 344 . 1 1 94 94 GLU N N 15 116.672 0.02 . 1 . . . . 94 GLU N . 16718 1 345 . 1 1 95 95 ILE H H 1 7.210 0.002 . 1 . . . . 95 ILE H . 16718 1 346 . 1 1 95 95 ILE CA C 13 63.609 0.01 . 1 . . . . 95 ILE CA . 16718 1 347 . 1 1 95 95 ILE CB C 13 36.218 0.01 . 1 . . . . 95 ILE CB . 16718 1 348 . 1 1 95 95 ILE N N 15 117.652 0.02 . 1 . . . . 95 ILE N . 16718 1 349 . 1 1 96 96 VAL H H 1 7.999 0.002 . 1 . . . . 96 VAL H . 16718 1 350 . 1 1 96 96 VAL CA C 13 67.491 0.01 . 1 . . . . 96 VAL CA . 16718 1 351 . 1 1 96 96 VAL CB C 13 29.697 0.01 . 1 . . . . 96 VAL CB . 16718 1 352 . 1 1 96 96 VAL N N 15 120.489 0.02 . 1 . . . . 96 VAL N . 16718 1 353 . 1 1 97 97 GLU H H 1 8.016 0.002 . 1 . . . . 97 GLU H . 16718 1 354 . 1 1 97 97 GLU CA C 13 60.175 0.01 . 1 . . . . 97 GLU CA . 16718 1 355 . 1 1 97 97 GLU CB C 13 28.960 0.01 . 1 . . . . 97 GLU CB . 16718 1 356 . 1 1 97 97 GLU CG C 13 36.069 0.01 . 1 . . . . 97 GLU CG . 16718 1 357 . 1 1 97 97 GLU N N 15 116.020 0.02 . 1 . . . . 97 GLU N . 16718 1 358 . 1 1 98 98 VAL H H 1 7.453 0.002 . 1 . . . . 98 VAL H . 16718 1 359 . 1 1 98 98 VAL CA C 13 65.557 0.01 . 1 . . . . 98 VAL CA . 16718 1 360 . 1 1 98 98 VAL CB C 13 30.651 0.01 . 1 . . . . 98 VAL CB . 16718 1 361 . 1 1 98 98 VAL N N 15 117.550 0.02 . 1 . . . . 98 VAL N . 16718 1 362 . 1 1 99 99 LEU H H 1 8.368 0.002 . 1 . . . . 99 LEU H . 16718 1 363 . 1 1 99 99 LEU CA C 13 57.441 0.01 . 1 . . . . 99 LEU CA . 16718 1 364 . 1 1 99 99 LEU CB C 13 39.786 0.01 . 1 . . . . 99 LEU CB . 16718 1 365 . 1 1 99 99 LEU CG C 13 25.587 0.01 . 1 . . . . 99 LEU CG . 16718 1 366 . 1 1 99 99 LEU N N 15 121.028 0.02 . 1 . . . . 99 LEU N . 16718 1 367 . 1 1 100 100 LEU H H 1 8.524 0.002 . 1 . . . . 100 LEU H . 16718 1 368 . 1 1 100 100 LEU CA C 13 57.990 0.01 . 1 . . . . 100 LEU CA . 16718 1 369 . 1 1 100 100 LEU CB C 13 40.185 0.01 . 1 . . . . 100 LEU CB . 16718 1 370 . 1 1 100 100 LEU N N 15 119.526 0.02 . 1 . . . . 100 LEU N . 16718 1 371 . 1 1 101 101 LYS H H 1 7.805 0.002 . 1 . . . . 101 LYS H . 16718 1 372 . 1 1 101 101 LYS CA C 13 58.499 0.01 . 1 . . . . 101 LYS CA . 16718 1 373 . 1 1 101 101 LYS CB C 13 31.207 0.01 . 1 . . . . 101 LYS CB . 16718 1 374 . 1 1 101 101 LYS CG C 13 24.402 0.01 . 1 . . . . 101 LYS CG . 16718 1 375 . 1 1 101 101 LYS N N 15 120.624 0.02 . 1 . . . . 101 LYS N . 16718 1 376 . 1 1 102 102 ALA H H 1 7.425 0.002 . 1 . . . . 102 ALA H . 16718 1 377 . 1 1 102 102 ALA CA C 13 51.318 0.01 . 1 . . . . 102 ALA CA . 16718 1 378 . 1 1 102 102 ALA CB C 13 19.329 0.01 . 1 . . . . 102 ALA CB . 16718 1 379 . 1 1 102 102 ALA N N 15 119.653 0.02 . 1 . . . . 102 ALA N . 16718 1 380 . 1 1 103 103 GLY H H 1 7.546 0.002 . 1 . . . . 103 GLY H . 16718 1 381 . 1 1 103 103 GLY CA C 13 44.738 0.01 . 1 . . . . 103 GLY CA . 16718 1 382 . 1 1 103 103 GLY N N 15 103.710 0.02 . 1 . . . . 103 GLY N . 16718 1 383 . 1 1 104 104 ALA H H 1 7.995 0.002 . 1 . . . . 104 ALA H . 16718 1 384 . 1 1 104 104 ALA CA C 13 52.486 0.01 . 1 . . . . 104 ALA CA . 16718 1 385 . 1 1 104 104 ALA CB C 13 18.994 0.01 . 1 . . . . 104 ALA CB . 16718 1 386 . 1 1 104 104 ALA N N 15 122.814 0.02 . 1 . . . . 104 ALA N . 16718 1 387 . 1 1 105 105 ASP H H 1 8.814 0.002 . 1 . . . . 105 ASP H . 16718 1 388 . 1 1 105 105 ASP CA C 13 52.627 0.01 . 1 . . . . 105 ASP CA . 16718 1 389 . 1 1 105 105 ASP CB C 13 39.622 0.01 . 1 . . . . 105 ASP CB . 16718 1 390 . 1 1 105 105 ASP N N 15 120.703 0.02 . 1 . . . . 105 ASP N . 16718 1 391 . 1 1 106 106 VAL H H 1 8.297 0.002 . 1 . . . . 106 VAL H . 16718 1 392 . 1 1 106 106 VAL CA C 13 63.439 0.01 . 1 . . . . 106 VAL CA . 16718 1 393 . 1 1 106 106 VAL CB C 13 30.722 0.01 . 1 . . . . 106 VAL CB . 16718 1 394 . 1 1 106 106 VAL N N 15 124.925 0.02 . 1 . . . . 106 VAL N . 16718 1 395 . 1 1 107 107 ASN H H 1 8.385 0.002 . 1 . . . . 107 ASN H . 16718 1 396 . 1 1 107 107 ASN CA C 13 52.696 0.01 . 1 . . . . 107 ASN CA . 16718 1 397 . 1 1 107 107 ASN CB C 13 38.581 0.01 . 1 . . . . 107 ASN CB . 16718 1 398 . 1 1 107 107 ASN N N 15 117.807 0.02 . 1 . . . . 107 ASN N . 16718 1 399 . 1 1 108 108 ALA H H 1 6.929 0.002 . 1 . . . . 108 ALA H . 16718 1 400 . 1 1 108 108 ALA CA C 13 52.930 0.01 . 1 . . . . 108 ALA CA . 16718 1 401 . 1 1 108 108 ALA CB C 13 17.686 0.01 . 1 . . . . 108 ALA CB . 16718 1 402 . 1 1 108 108 ALA N N 15 123.141 0.02 . 1 . . . . 108 ALA N . 16718 1 403 . 1 1 109 109 GLN H H 1 8.749 0.002 . 1 . . . . 109 GLN H . 16718 1 404 . 1 1 109 109 GLN CA C 13 53.764 0.01 . 1 . . . . 109 GLN CA . 16718 1 405 . 1 1 109 109 GLN CB C 13 31.158 0.01 . 1 . . . . 109 GLN CB . 16718 1 406 . 1 1 109 109 GLN CG C 13 33.358 0.01 . 1 . . . . 109 GLN CG . 16718 1 407 . 1 1 109 109 GLN N N 15 121.959 0.02 . 1 . . . . 109 GLN N . 16718 1 408 . 1 1 110 110 ASP H H 1 8.635 0.002 . 1 . . . . 110 ASP H . 16718 1 409 . 1 1 110 110 ASP CA C 13 52.666 0.01 . 1 . . . . 110 ASP CA . 16718 1 410 . 1 1 110 110 ASP CB C 13 40.747 0.01 . 1 . . . . 110 ASP CB . 16718 1 411 . 1 1 110 110 ASP N N 15 123.891 0.02 . 1 . . . . 110 ASP N . 16718 1 412 . 1 1 111 111 LYS H H 1 7.523 0.002 . 1 . . . . 111 LYS H . 16718 1 413 . 1 1 111 111 LYS CA C 13 57.896 0.01 . 1 . . . . 111 LYS CA . 16718 1 414 . 1 1 111 111 LYS CB C 13 30.408 0.01 . 1 . . . . 111 LYS CB . 16718 1 415 . 1 1 111 111 LYS CG C 13 22.446 0.01 . 1 . . . . 111 LYS CG . 16718 1 416 . 1 1 111 111 LYS N N 15 115.400 0.02 . 1 . . . . 111 LYS N . 16718 1 417 . 1 1 112 112 PHE H H 1 8.480 0.002 . 1 . . . . 112 PHE H . 16718 1 418 . 1 1 112 112 PHE CA C 13 56.698 0.01 . 1 . . . . 112 PHE CA . 16718 1 419 . 1 1 112 112 PHE CB C 13 38.054 0.01 . 1 . . . . 112 PHE CB . 16718 1 420 . 1 1 112 112 PHE N N 15 119.978 0.02 . 1 . . . . 112 PHE N . 16718 1 421 . 1 1 113 113 GLY H H 1 8.099 0.002 . 1 . . . . 113 GLY H . 16718 1 422 . 1 1 113 113 GLY CA C 13 45.006 0.01 . 1 . . . . 113 GLY CA . 16718 1 423 . 1 1 113 113 GLY N N 15 108.934 0.02 . 1 . . . . 113 GLY N . 16718 1 424 . 1 1 114 114 LYS H H 1 9.050 0.002 . 1 . . . . 114 LYS H . 16718 1 425 . 1 1 114 114 LYS CA C 13 55.446 0.01 . 1 . . . . 114 LYS CA . 16718 1 426 . 1 1 114 114 LYS CB C 13 32.530 0.01 . 1 . . . . 114 LYS CB . 16718 1 427 . 1 1 114 114 LYS CG C 13 24.314 0.01 . 1 . . . . 114 LYS CG . 16718 1 428 . 1 1 114 114 LYS N N 15 121.705 0.02 . 1 . . . . 114 LYS N . 16718 1 429 . 1 1 115 115 THR H H 1 9.486 0.002 . 1 . . . . 115 THR H . 16718 1 430 . 1 1 115 115 THR CA C 13 59.840 0.01 . 1 . . . . 115 THR CA . 16718 1 431 . 1 1 115 115 THR CB C 13 71.810 0.01 . 1 . . . . 115 THR CB . 16718 1 432 . 1 1 115 115 THR CG2 C 13 21.236 0.01 . 1 . . . . 115 THR CG2 . 16718 1 433 . 1 1 115 115 THR N N 15 115.016 0.02 . 1 . . . . 115 THR N . 16718 1 434 . 1 1 116 116 ALA H H 1 9.437 0.002 . 1 . . . . 116 ALA H . 16718 1 435 . 1 1 116 116 ALA CA C 13 54.989 0.01 . 1 . . . . 116 ALA CA . 16718 1 436 . 1 1 116 116 ALA CB C 13 16.675 0.01 . 1 . . . . 116 ALA CB . 16718 1 437 . 1 1 116 116 ALA N N 15 123.265 0.02 . 1 . . . . 116 ALA N . 16718 1 438 . 1 1 117 117 PHE H H 1 8.573 0.002 . 1 . . . . 117 PHE H . 16718 1 439 . 1 1 117 117 PHE CA C 13 54.971 0.01 . 1 . . . . 117 PHE CA . 16718 1 440 . 1 1 117 117 PHE CB C 13 37.870 0.01 . 1 . . . . 117 PHE CB . 16718 1 441 . 1 1 117 117 PHE N N 15 118.701 0.02 . 1 . . . . 117 PHE N . 16718 1 442 . 1 1 118 118 ASP H H 1 7.570 0.002 . 1 . . . . 118 ASP H . 16718 1 443 . 1 1 118 118 ASP CA C 13 56.937 0.01 . 1 . . . . 118 ASP CA . 16718 1 444 . 1 1 118 118 ASP CB C 13 40.521 0.01 . 1 . . . . 118 ASP CB . 16718 1 445 . 1 1 118 118 ASP N N 15 120.676 0.02 . 1 . . . . 118 ASP N . 16718 1 446 . 1 1 119 119 ILE H H 1 7.906 0.002 . 1 . . . . 119 ILE H . 16718 1 447 . 1 1 119 119 ILE CA C 13 63.467 0.01 . 1 . . . . 119 ILE CA . 16718 1 448 . 1 1 119 119 ILE CB C 13 36.924 0.01 . 1 . . . . 119 ILE CB . 16718 1 449 . 1 1 119 119 ILE N N 15 118.442 0.02 . 1 . . . . 119 ILE N . 16718 1 450 . 1 1 120 120 SER H H 1 8.024 0.002 . 1 . . . . 120 SER H . 16718 1 451 . 1 1 120 120 SER CA C 13 54.511 0.01 . 1 . . . . 120 SER CA . 16718 1 452 . 1 1 120 120 SER CB C 13 62.184 0.01 . 1 . . . . 120 SER CB . 16718 1 453 . 1 1 120 120 SER N N 15 118.022 0.02 . 1 . . . . 120 SER N . 16718 1 454 . 1 1 121 121 ILE H H 1 7.586 0.002 . 1 . . . . 121 ILE H . 16718 1 455 . 1 1 121 121 ILE CA C 13 61.589 0.01 . 1 . . . . 121 ILE CA . 16718 1 456 . 1 1 121 121 ILE CB C 13 35.204 0.01 . 1 . . . . 121 ILE CB . 16718 1 457 . 1 1 121 121 ILE CG1 C 13 25.952 0.01 . 1 . . . . 121 ILE CG1 . 16718 1 458 . 1 1 121 121 ILE N N 15 123.239 0.02 . 1 . . . . 121 ILE N . 16718 1 459 . 1 1 122 122 ASP H H 1 8.374 0.002 . 1 . . . . 122 ASP H . 16718 1 460 . 1 1 122 122 ASP CA C 13 56.333 0.01 . 1 . . . . 122 ASP CA . 16718 1 461 . 1 1 122 122 ASP CB C 13 39.606 0.01 . 1 . . . . 122 ASP CB . 16718 1 462 . 1 1 122 122 ASP N N 15 123.208 0.02 . 1 . . . . 122 ASP N . 16718 1 463 . 1 1 123 123 ASN H H 1 7.640 0.002 . 1 . . . . 123 ASN H . 16718 1 464 . 1 1 123 123 ASN CA C 13 52.762 0.01 . 1 . . . . 123 ASN CA . 16718 1 465 . 1 1 123 123 ASN CB C 13 38.677 0.01 . 1 . . . . 123 ASN CB . 16718 1 466 . 1 1 123 123 ASN N N 15 115.213 0.02 . 1 . . . . 123 ASN N . 16718 1 467 . 1 1 124 124 GLY H H 1 7.850 0.002 . 1 . . . . 124 GLY H . 16718 1 468 . 1 1 124 124 GLY CA C 13 45.829 0.01 . 1 . . . . 124 GLY CA . 16718 1 469 . 1 1 124 124 GLY N N 15 108.794 0.02 . 1 . . . . 124 GLY N . 16718 1 470 . 1 1 125 125 ASN H H 1 8.251 0.002 . 1 . . . . 125 ASN H . 16718 1 471 . 1 1 125 125 ASN CA C 13 51.409 0.01 . 1 . . . . 125 ASN CA . 16718 1 472 . 1 1 125 125 ASN CB C 13 37.279 0.01 . 1 . . . . 125 ASN CB . 16718 1 473 . 1 1 125 125 ASN N N 15 118.956 0.02 . 1 . . . . 125 ASN N . 16718 1 474 . 1 1 126 126 GLU H H 1 8.234 0.002 . 1 . . . . 126 GLU H . 16718 1 475 . 1 1 126 126 GLU CA C 13 58.616 0.01 . 1 . . . . 126 GLU CA . 16718 1 476 . 1 1 126 126 GLU CB C 13 28.738 0.01 . 1 . . . . 126 GLU CB . 16718 1 477 . 1 1 126 126 GLU CG C 13 35.640 0.01 . 1 . . . . 126 GLU CG . 16718 1 478 . 1 1 126 126 GLU N N 15 123.083 0.02 . 1 . . . . 126 GLU N . 16718 1 479 . 1 1 127 127 ASP H H 1 8.337 0.002 . 1 . . . . 127 ASP H . 16718 1 480 . 1 1 127 127 ASP CA C 13 56.111 0.01 . 1 . . . . 127 ASP CA . 16718 1 481 . 1 1 127 127 ASP CB C 13 39.278 0.01 . 1 . . . . 127 ASP CB . 16718 1 482 . 1 1 127 127 ASP N N 15 119.087 0.02 . 1 . . . . 127 ASP N . 16718 1 483 . 1 1 128 128 LEU H H 1 7.976 0.002 . 1 . . . . 128 LEU H . 16718 1 484 . 1 1 128 128 LEU CA C 13 54.628 0.01 . 1 . . . . 128 LEU CA . 16718 1 485 . 1 1 128 128 LEU CB C 13 41.059 0.01 . 1 . . . . 128 LEU CB . 16718 1 486 . 1 1 128 128 LEU N N 15 122.401 0.02 . 1 . . . . 128 LEU N . 16718 1 487 . 1 1 129 129 ALA H H 1 7.666 0.002 . 1 . . . . 129 ALA H . 16718 1 488 . 1 1 129 129 ALA CA C 13 54.711 0.01 . 1 . . . . 129 ALA CA . 16718 1 489 . 1 1 129 129 ALA CB C 13 17.592 0.01 . 1 . . . . 129 ALA CB . 16718 1 490 . 1 1 129 129 ALA N N 15 120.781 0.02 . 1 . . . . 129 ALA N . 16718 1 491 . 1 1 130 130 GLU H H 1 7.456 0.002 . 1 . . . . 130 GLU H . 16718 1 492 . 1 1 130 130 GLU CA C 13 58.143 0.01 . 1 . . . . 130 GLU CA . 16718 1 493 . 1 1 130 130 GLU CB C 13 29.141 0.01 . 1 . . . . 130 GLU CB . 16718 1 494 . 1 1 130 130 GLU CG C 13 35.388 0.01 . 1 . . . . 130 GLU CG . 16718 1 495 . 1 1 130 130 GLU N N 15 113.883 0.02 . 1 . . . . 130 GLU N . 16718 1 496 . 1 1 131 131 ILE H H 1 7.279 0.002 . 1 . . . . 131 ILE H . 16718 1 497 . 1 1 131 131 ILE CA C 13 61.658 0.01 . 1 . . . . 131 ILE CA . 16718 1 498 . 1 1 131 131 ILE CB C 13 37.429 0.01 . 1 . . . . 131 ILE CB . 16718 1 499 . 1 1 131 131 ILE CG1 C 13 27.907 0.01 . 1 . . . . 131 ILE CG1 . 16718 1 500 . 1 1 131 131 ILE N N 15 113.704 0.02 . 1 . . . . 131 ILE N . 16718 1 501 . 1 1 132 132 LEU H H 1 7.480 0.002 . 1 . . . . 132 LEU H . 16718 1 502 . 1 1 132 132 LEU CA C 13 54.107 0.01 . 1 . . . . 132 LEU CA . 16718 1 503 . 1 1 132 132 LEU CB C 13 41.736 0.01 . 1 . . . . 132 LEU CB . 16718 1 504 . 1 1 132 132 LEU CG C 13 25.209 0.01 . 1 . . . . 132 LEU CG . 16718 1 505 . 1 1 132 132 LEU N N 15 121.228 0.02 . 1 . . . . 132 LEU N . 16718 1 506 . 1 1 133 133 GLN H H 1 7.184 0.002 . 1 . . . . 133 GLN H . 16718 1 507 . 1 1 133 133 GLN CA C 13 56.969 0.01 . 1 . . . . 133 GLN CA . 16718 1 508 . 1 1 133 133 GLN CB C 13 29.747 0.01 . 1 . . . . 133 GLN CB . 16718 1 509 . 1 1 133 133 GLN CG C 13 33.490 0.01 . 1 . . . . 133 GLN CG . 16718 1 510 . 1 1 133 133 GLN N N 15 123.253 0.02 . 1 . . . . 133 GLN N . 16718 1 stop_ save_