data_26984 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26984 _Entry.Title ; Fused Npu DnaE GEP loop mutant from Nostoc punctiforme with Phe +2 Extein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-21 _Entry.Accession_date 2016-12-21 _Entry.Last_release_date 2016-12-28 _Entry.Original_release_date 2016-12-28 _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 Giridhar Sekar . . . . 26984 2 David Cowburn . . . . 26984 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26984 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Albert Einstein College of Medicine' . 26984 2 . 'Department of Chemistry, Princeton University' . 26984 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26984 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 412 26984 '15N chemical shifts' 141 26984 '1H chemical shifts' 148 26984 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-08-18 . original BMRB . 26984 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26979 'Wild type fused Npu DnaE from Nostoc punctiforme with Phe +2 Extein' 26984 BMRB 26980 'Wild type fused Npu DnaE from Nostoc punctiforme with Gly +2 Extein' 26984 BMRB 26981 'Fused Npu DnaE GEP loop mutant from Nostoc punctiforme with Phe +2 Extein' 26984 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26984 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28739907 _Citation.Full_citation . _Citation.Title ; A promiscuous split intein with expanded protein engineering applications ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 114 _Citation.Journal_issue 32 _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 8538 _Citation.Page_last 8543 _Citation.Year 2017 _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 Adam Stevens . J. . . 26984 1 2 Giridhar Sekar . . . . 26984 1 3 Neel Shah . H. . . 26984 1 4 Ana Mostafavi . . . . 26984 1 5 David Cowburn . . . . 26984 1 6 Tom Muir . W. . . 26984 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DnaE 26984 1 Extein 26984 1 'Nostoc punctiforme' 26984 1 Npu 26984 1 'Split Intein' 26984 1 stop_ save_ save_Iwai _Citation.Sf_category citations _Citation.Sf_framecode Iwai _Citation.Entry_ID 26984 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636943 _Citation.Full_citation . _Citation.Title ; NMR resonance assignment of DnaE intein from Nostoc punctiforme. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 3 _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 41 _Citation.Page_last 43 _Citation.Year 2009 _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 Heinamaki Kimmo . . . . 26984 2 2 Oeemig Jesper . . . . 26984 2 3 Djupsjobacka Janica . . . . 26984 2 4 Iwai Hideo . . . . 26984 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26984 _Assembly.ID 1 _Assembly.Name 'Fused Npu DnaE GEP loop mutant from Nostoc punctiforme with Phe +2 Extein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'all free' _Assembly.Molecular_mass 16403.5412 _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 'Fused Npu DnaE GEP loop mutant' 1 $Npu_DnaE A . yes native no no . . . 26984 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Npu_DnaE _Entity.Sf_category entity _Entity.Sf_framecode Npu_DnaE _Entity.Entry_ID 26984 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Npu_DnaE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AEYALSYETEILTVEYGLLP IGKIVEKRIECTVYSVDNNG NIYTQPVAQWHDRGEQEVFE YCLEDGSLIRATKDHKFMTV DGQMLPIDEIFERELDLMRV DNLPNMIKIATRKYLGKQNV YDIGVGEPHNFALKNGFIAS ACGN ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16403.5412 _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 . ALA . 26984 1 2 . GLU . 26984 1 3 . TYR . 26984 1 4 . ALA . 26984 1 5 . LEU . 26984 1 6 . SER . 26984 1 7 . TYR . 26984 1 8 . GLU . 26984 1 9 . THR . 26984 1 10 . GLU . 26984 1 11 . ILE . 26984 1 12 . LEU . 26984 1 13 . THR . 26984 1 14 . VAL . 26984 1 15 . GLU . 26984 1 16 . TYR . 26984 1 17 . GLY . 26984 1 18 . LEU . 26984 1 19 . LEU . 26984 1 20 . PRO . 26984 1 21 . ILE . 26984 1 22 . GLY . 26984 1 23 . LYS . 26984 1 24 . ILE . 26984 1 25 . VAL . 26984 1 26 . GLU . 26984 1 27 . LYS . 26984 1 28 . ARG . 26984 1 29 . ILE . 26984 1 30 . GLU . 26984 1 31 . CYS . 26984 1 32 . THR . 26984 1 33 . VAL . 26984 1 34 . TYR . 26984 1 35 . SER . 26984 1 36 . VAL . 26984 1 37 . ASP . 26984 1 38 . ASN . 26984 1 39 . ASN . 26984 1 40 . GLY . 26984 1 41 . ASN . 26984 1 42 . ILE . 26984 1 43 . TYR . 26984 1 44 . THR . 26984 1 45 . GLN . 26984 1 46 . PRO . 26984 1 47 . VAL . 26984 1 48 . ALA . 26984 1 49 . GLN . 26984 1 50 . TRP . 26984 1 51 . HIS . 26984 1 52 . ASP . 26984 1 53 . ARG . 26984 1 54 . GLY . 26984 1 55 . GLU . 26984 1 56 . GLN . 26984 1 57 . GLU . 26984 1 58 . VAL . 26984 1 59 . PHE . 26984 1 60 . GLU . 26984 1 61 . TYR . 26984 1 62 . CYS . 26984 1 63 . LEU . 26984 1 64 . GLU . 26984 1 65 . ASP . 26984 1 66 . GLY . 26984 1 67 . SER . 26984 1 68 . LEU . 26984 1 69 . ILE . 26984 1 70 . ARG . 26984 1 71 . ALA . 26984 1 72 . THR . 26984 1 73 . LYS . 26984 1 74 . ASP . 26984 1 75 . HIS . 26984 1 76 . LYS . 26984 1 77 . PHE . 26984 1 78 . MET . 26984 1 79 . THR . 26984 1 80 . VAL . 26984 1 81 . ASP . 26984 1 82 . GLY . 26984 1 83 . GLN . 26984 1 84 . MET . 26984 1 85 . LEU . 26984 1 86 . PRO . 26984 1 87 . ILE . 26984 1 88 . ASP . 26984 1 89 . GLU . 26984 1 90 . ILE . 26984 1 91 . PHE . 26984 1 92 . GLU . 26984 1 93 . ARG . 26984 1 94 . GLU . 26984 1 95 . LEU . 26984 1 96 . ASP . 26984 1 97 . LEU . 26984 1 98 . MET . 26984 1 99 . ARG . 26984 1 100 . VAL . 26984 1 101 . ASP . 26984 1 102 . ASN . 26984 1 103 . LEU . 26984 1 104 . PRO . 26984 1 105 . ASN . 26984 1 106 . MET . 26984 1 107 . ILE . 26984 1 108 . LYS . 26984 1 109 . ILE . 26984 1 110 . ALA . 26984 1 111 . THR . 26984 1 112 . ARG . 26984 1 113 . LYS . 26984 1 114 . TYR . 26984 1 115 . LEU . 26984 1 116 . GLY . 26984 1 117 . LYS . 26984 1 118 . GLN . 26984 1 119 . ASN . 26984 1 120 . VAL . 26984 1 121 . TYR . 26984 1 122 . ASP . 26984 1 123 . ILE . 26984 1 124 . GLY . 26984 1 125 . VAL . 26984 1 126 . GLY . 26984 1 127 . GLU . 26984 1 128 . PRO . 26984 1 129 . HIS . 26984 1 130 . ASN . 26984 1 131 . PHE . 26984 1 132 . ALA . 26984 1 133 . LEU . 26984 1 134 . LYS . 26984 1 135 . ASN . 26984 1 136 . GLY . 26984 1 137 . PHE . 26984 1 138 . ILE . 26984 1 139 . ALA . 26984 1 140 . SER . 26984 1 141 . ALA . 26984 1 142 . CYS . 26984 1 143 . GLY . 26984 1 144 . ASN . 26984 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 . ALA 1 1 26984 1 . GLU 2 2 26984 1 . TYR 3 3 26984 1 . ALA 4 4 26984 1 . LEU 5 5 26984 1 . SER 6 6 26984 1 . TYR 7 7 26984 1 . GLU 8 8 26984 1 . THR 9 9 26984 1 . GLU 10 10 26984 1 . ILE 11 11 26984 1 . LEU 12 12 26984 1 . THR 13 13 26984 1 . VAL 14 14 26984 1 . GLU 15 15 26984 1 . TYR 16 16 26984 1 . GLY 17 17 26984 1 . LEU 18 18 26984 1 . LEU 19 19 26984 1 . PRO 20 20 26984 1 . ILE 21 21 26984 1 . GLY 22 22 26984 1 . LYS 23 23 26984 1 . ILE 24 24 26984 1 . VAL 25 25 26984 1 . GLU 26 26 26984 1 . LYS 27 27 26984 1 . ARG 28 28 26984 1 . ILE 29 29 26984 1 . GLU 30 30 26984 1 . CYS 31 31 26984 1 . THR 32 32 26984 1 . VAL 33 33 26984 1 . TYR 34 34 26984 1 . SER 35 35 26984 1 . VAL 36 36 26984 1 . ASP 37 37 26984 1 . ASN 38 38 26984 1 . ASN 39 39 26984 1 . GLY 40 40 26984 1 . ASN 41 41 26984 1 . ILE 42 42 26984 1 . TYR 43 43 26984 1 . THR 44 44 26984 1 . GLN 45 45 26984 1 . PRO 46 46 26984 1 . VAL 47 47 26984 1 . ALA 48 48 26984 1 . GLN 49 49 26984 1 . TRP 50 50 26984 1 . HIS 51 51 26984 1 . ASP 52 52 26984 1 . ARG 53 53 26984 1 . GLY 54 54 26984 1 . GLU 55 55 26984 1 . GLN 56 56 26984 1 . GLU 57 57 26984 1 . VAL 58 58 26984 1 . PHE 59 59 26984 1 . GLU 60 60 26984 1 . TYR 61 61 26984 1 . CYS 62 62 26984 1 . LEU 63 63 26984 1 . GLU 64 64 26984 1 . ASP 65 65 26984 1 . GLY 66 66 26984 1 . SER 67 67 26984 1 . LEU 68 68 26984 1 . ILE 69 69 26984 1 . ARG 70 70 26984 1 . ALA 71 71 26984 1 . THR 72 72 26984 1 . LYS 73 73 26984 1 . ASP 74 74 26984 1 . HIS 75 75 26984 1 . LYS 76 76 26984 1 . PHE 77 77 26984 1 . MET 78 78 26984 1 . THR 79 79 26984 1 . VAL 80 80 26984 1 . ASP 81 81 26984 1 . GLY 82 82 26984 1 . GLN 83 83 26984 1 . MET 84 84 26984 1 . LEU 85 85 26984 1 . PRO 86 86 26984 1 . ILE 87 87 26984 1 . ASP 88 88 26984 1 . GLU 89 89 26984 1 . ILE 90 90 26984 1 . PHE 91 91 26984 1 . GLU 92 92 26984 1 . ARG 93 93 26984 1 . GLU 94 94 26984 1 . LEU 95 95 26984 1 . ASP 96 96 26984 1 . LEU 97 97 26984 1 . MET 98 98 26984 1 . ARG 99 99 26984 1 . VAL 100 100 26984 1 . ASP 101 101 26984 1 . ASN 102 102 26984 1 . LEU 103 103 26984 1 . PRO 104 104 26984 1 . ASN 105 105 26984 1 . MET 106 106 26984 1 . ILE 107 107 26984 1 . LYS 108 108 26984 1 . ILE 109 109 26984 1 . ALA 110 110 26984 1 . THR 111 111 26984 1 . ARG 112 112 26984 1 . LYS 113 113 26984 1 . TYR 114 114 26984 1 . LEU 115 115 26984 1 . GLY 116 116 26984 1 . LYS 117 117 26984 1 . GLN 118 118 26984 1 . ASN 119 119 26984 1 . VAL 120 120 26984 1 . TYR 121 121 26984 1 . ASP 122 122 26984 1 . ILE 123 123 26984 1 . GLY 124 124 26984 1 . VAL 125 125 26984 1 . GLY 126 126 26984 1 . GLU 127 127 26984 1 . PRO 128 128 26984 1 . HIS 129 129 26984 1 . ASN 130 130 26984 1 . PHE 131 131 26984 1 . ALA 132 132 26984 1 . LEU 133 133 26984 1 . LYS 134 134 26984 1 . ASN 135 135 26984 1 . GLY 136 136 26984 1 . PHE 137 137 26984 1 . ILE 138 138 26984 1 . ALA 139 139 26984 1 . SER 140 140 26984 1 . ALA 141 141 26984 1 . CYS 142 142 26984 1 . GLY 143 143 26984 1 . ASN 144 144 26984 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 26984 _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 $Npu_DnaE . 272131 organism . 'Nostoc punctiforme' 'Nostoc punctiforme' . . Bacteria . Nostoc punctiforme . . . . . . . . . . . . 'Fused Npu DnaE construct' 26984 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 26984 _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 $Npu_DnaE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 26984 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26984 _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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26984 1 2 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 26984 1 3 'Npu DnaE' '[U-99% 13C; U-99% 15N]' . . 1 $Npu_DnaE . . 400 . . mM . . . . 26984 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 26984 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 26984 1 pressure 1 . atm 26984 1 temperature 300 . K 26984 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26984 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26984 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 26984 1 'chemical shift assignment' 26984 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_900 _NMR_spectrometer.Entry_ID 26984 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_600 _NMR_spectrometer.Entry_ID 26984 _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 26984 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_900 Bruker Avance . 900 . . . 26984 1 2 NMR_600 Bruker Avance . 600 . . . 26984 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 26984 _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 $CondSet1 . . . 1 $NMR_900 . . . . . . . . . . . . . . . . 26984 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $NMR_600 . . . . . . . . . . . . . . . . 26984 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $NMR_600 . . . . . . . . . . . . . . . . 26984 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 2 $NMR_600 . . . . . . . . . . . . . . . . 26984 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $NMR_900 . . . . . . . . . . . . . . . . 26984 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 26984 _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 0.25144953 . . . . . 26984 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26984 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26984 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _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 'Origin xeasy file /home/gsekar/nmr_assignments/aey_gepfus_cgn_1/cgn.prot.' _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' . . isotropic 26984 1 2 '3D HNCACB' . . isotropic 26984 1 3 '3D CBCA(CO)NH' . . isotropic 26984 1 4 '3D HN(CA)CO' . . isotropic 26984 1 5 '3D HNCO' . . isotropic 26984 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 26984 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 173.130 . . 1 . 561 . . 1 ALA C . 26984 1 2 . 1 1 1 1 ALA CA C 13 51.826 . . 1 . 1 . . 1 ALA CA . 26984 1 3 . 1 1 1 1 ALA CB C 13 19.414 . . 1 . 2 . . 1 ALA CB . 26984 1 4 . 1 1 2 2 GLU H H 1 8.433 0.015 . 1 . 4 . . 2 GLU H . 26984 1 5 . 1 1 2 2 GLU C C 13 175.010 . . 1 . 562 . . 2 GLU C . 26984 1 6 . 1 1 2 2 GLU CA C 13 55.384 0.027 . 1 . 5 . . 2 GLU CA . 26984 1 7 . 1 1 2 2 GLU CB C 13 30.805 0.033 . 1 . 6 . . 2 GLU CB . 26984 1 8 . 1 1 2 2 GLU N N 15 118.989 0.076 . 1 . 3 . . 2 GLU N . 26984 1 9 . 1 1 3 3 TYR H H 1 7.811 0.007 . 1 . 8 . . 3 TYR H . 26984 1 10 . 1 1 3 3 TYR C C 13 174.790 . . 1 . 699 . . 3 TYR C . 26984 1 11 . 1 1 3 3 TYR CA C 13 55.423 . . 1 . 9 . . 3 TYR CA . 26984 1 12 . 1 1 3 3 TYR CB C 13 38.035 . . 1 . 10 . . 3 TYR CB . 26984 1 13 . 1 1 3 3 TYR N N 15 120.642 0.019 . 1 . 7 . . 3 TYR N . 26984 1 14 . 1 1 4 4 ALA C C 13 174.858 0.005 . 1 . 563 . . 4 ALA C . 26984 1 15 . 1 1 4 4 ALA CA C 13 52.898 0.014 . 1 . 11 . . 4 ALA CA . 26984 1 16 . 1 1 4 4 ALA CB C 13 23.877 0.039 . 1 . 12 . . 4 ALA CB . 26984 1 17 . 1 1 5 5 LEU H H 1 9.658 0.006 . 1 . 14 . . 5 LEU H . 26984 1 18 . 1 1 5 5 LEU C C 13 176.578 0.033 . 1 . 564 . . 5 LEU C . 26984 1 19 . 1 1 5 5 LEU CA C 13 53.932 0.096 . 1 . 15 . . 5 LEU CA . 26984 1 20 . 1 1 5 5 LEU CB C 13 46.155 0.047 . 1 . 16 . . 5 LEU CB . 26984 1 21 . 1 1 5 5 LEU N N 15 119.564 0.106 . 1 . 13 . . 5 LEU N . 26984 1 22 . 1 1 6 6 SER H H 1 7.881 0.003 . 1 . 18 . . 6 SER H . 26984 1 23 . 1 1 6 6 SER C C 13 174.960 0.03 . 1 . 565 . . 6 SER C . 26984 1 24 . 1 1 6 6 SER CA C 13 59.846 0.142 . 1 . 19 . . 6 SER CA . 26984 1 25 . 1 1 6 6 SER CB C 13 64.094 0.008 . 1 . 20 . . 6 SER CB . 26984 1 26 . 1 1 6 6 SER N N 15 113.801 0.016 . 1 . 17 . . 6 SER N . 26984 1 27 . 1 1 7 7 TYR H H 1 9.466 0.002 . 1 . 22 . . 7 TYR H . 26984 1 28 . 1 1 7 7 TYR C C 13 175.944 0.007 . 1 . 566 . . 7 TYR C . 26984 1 29 . 1 1 7 7 TYR CA C 13 62.528 0.045 . 1 . 23 . . 7 TYR CA . 26984 1 30 . 1 1 7 7 TYR CB C 13 40.618 0.037 . 1 . 24 . . 7 TYR CB . 26984 1 31 . 1 1 7 7 TYR N N 15 121.025 0.019 . 1 . 21 . . 7 TYR N . 26984 1 32 . 1 1 8 8 GLU H H 1 9.313 0.005 . 1 . 26 . . 8 GLU H . 26984 1 33 . 1 1 8 8 GLU C C 13 176.143 0.025 . 1 . 567 . . 8 GLU C . 26984 1 34 . 1 1 8 8 GLU CA C 13 57.058 0.072 . 1 . 27 . . 8 GLU CA . 26984 1 35 . 1 1 8 8 GLU CB C 13 28.340 0.084 . 1 . 28 . . 8 GLU CB . 26984 1 36 . 1 1 8 8 GLU N N 15 112.185 0.016 . 1 . 25 . . 8 GLU N . 26984 1 37 . 1 1 9 9 THR H H 1 8.021 0.008 . 1 . 30 . . 9 THR H . 26984 1 38 . 1 1 9 9 THR C C 13 173.894 0.007 . 1 . 568 . . 9 THR C . 26984 1 39 . 1 1 9 9 THR CA C 13 65.493 0.09 . 1 . 31 . . 9 THR CA . 26984 1 40 . 1 1 9 9 THR CB C 13 68.766 0.063 . 1 . 32 . . 9 THR CB . 26984 1 41 . 1 1 9 9 THR N N 15 120.769 0.075 . 1 . 29 . . 9 THR N . 26984 1 42 . 1 1 10 10 GLU H H 1 9.256 0.003 . 1 . 34 . . 10 GLU H . 26984 1 43 . 1 1 10 10 GLU C C 13 175.034 0.017 . 1 . 569 . . 10 GLU C . 26984 1 44 . 1 1 10 10 GLU CA C 13 56.836 0.071 . 1 . 35 . . 10 GLU CA . 26984 1 45 . 1 1 10 10 GLU CB C 13 31.878 0.016 . 1 . 36 . . 10 GLU CB . 26984 1 46 . 1 1 10 10 GLU N N 15 130.036 0.023 . 1 . 33 . . 10 GLU N . 26984 1 47 . 1 1 11 11 ILE H H 1 8.993 0.005 . 1 . 38 . . 11 ILE H . 26984 1 48 . 1 1 11 11 ILE C C 13 175.545 0.008 . 1 . 570 . . 11 ILE C . 26984 1 49 . 1 1 11 11 ILE CA C 13 58.989 0.077 . 1 . 39 . . 11 ILE CA . 26984 1 50 . 1 1 11 11 ILE CB C 13 39.615 0.1 . 1 . 40 . . 11 ILE CB . 26984 1 51 . 1 1 11 11 ILE N N 15 122.948 0.038 . 1 . 37 . . 11 ILE N . 26984 1 52 . 1 1 12 12 LEU H H 1 7.428 0.005 . 1 . 42 . . 12 LEU H . 26984 1 53 . 1 1 12 12 LEU C C 13 175.540 0.005 . 1 . 571 . . 12 LEU C . 26984 1 54 . 1 1 12 12 LEU CA C 13 56.294 0.087 . 1 . 43 . . 12 LEU CA . 26984 1 55 . 1 1 12 12 LEU CB C 13 42.418 0.052 . 1 . 44 . . 12 LEU CB . 26984 1 56 . 1 1 12 12 LEU N N 15 125.022 0.045 . 1 . 41 . . 12 LEU N . 26984 1 57 . 1 1 13 13 THR H H 1 7.706 0.005 . 1 . 46 . . 13 THR H . 26984 1 58 . 1 1 13 13 THR C C 13 176.229 0.009 . 1 . 572 . . 13 THR C . 26984 1 59 . 1 1 13 13 THR CA C 13 59.465 0.111 . 1 . 47 . . 13 THR CA . 26984 1 60 . 1 1 13 13 THR CB C 13 73.519 0.05 . 1 . 48 . . 13 THR CB . 26984 1 61 . 1 1 13 13 THR N N 15 116.157 0.023 . 1 . 45 . . 13 THR N . 26984 1 62 . 1 1 14 14 VAL H H 1 8.990 0.004 . 1 . 50 . . 14 VAL H . 26984 1 63 . 1 1 14 14 VAL C C 13 179.152 0.006 . 1 . 573 . . 14 VAL C . 26984 1 64 . 1 1 14 14 VAL CA C 13 65.944 0.051 . 1 . 51 . . 14 VAL CA . 26984 1 65 . 1 1 14 14 VAL CB C 13 33.169 0.07 . 1 . 52 . . 14 VAL CB . 26984 1 66 . 1 1 14 14 VAL N N 15 125.299 0.012 . 1 . 49 . . 14 VAL N . 26984 1 67 . 1 1 15 15 GLU H H 1 10.028 0.006 . 1 . 54 . . 15 GLU H . 26984 1 68 . 1 1 15 15 GLU C C 13 178.574 0.015 . 1 . 574 . . 15 GLU C . 26984 1 69 . 1 1 15 15 GLU CA C 13 60.468 0.05 . 1 . 55 . . 15 GLU CA . 26984 1 70 . 1 1 15 15 GLU CB C 13 28.107 0.017 . 1 . 56 . . 15 GLU CB . 26984 1 71 . 1 1 15 15 GLU N N 15 116.205 0.026 . 1 . 53 . . 15 GLU N . 26984 1 72 . 1 1 16 16 TYR H H 1 7.455 0.004 . 1 . 58 . . 16 TYR H . 26984 1 73 . 1 1 16 16 TYR C C 13 176.123 0.011 . 1 . 575 . . 16 TYR C . 26984 1 74 . 1 1 16 16 TYR CA C 13 56.343 0.106 . 1 . 59 . . 16 TYR CA . 26984 1 75 . 1 1 16 16 TYR CB C 13 40.367 0.044 . 1 . 60 . . 16 TYR CB . 26984 1 76 . 1 1 16 16 TYR N N 15 111.644 0.036 . 1 . 57 . . 16 TYR N . 26984 1 77 . 1 1 17 17 GLY H H 1 7.289 0.006 . 1 . 62 . . 17 GLY H . 26984 1 78 . 1 1 17 17 GLY C C 13 176.149 0.009 . 1 . 576 . . 17 GLY C . 26984 1 79 . 1 1 17 17 GLY CA C 13 45.291 0.066 . 1 . 63 . . 17 GLY CA . 26984 1 80 . 1 1 17 17 GLY N N 15 108.991 0.043 . 1 . 61 . . 17 GLY N . 26984 1 81 . 1 1 18 18 LEU H H 1 8.797 0.004 . 1 . 65 . . 18 LEU H . 26984 1 82 . 1 1 18 18 LEU C C 13 177.535 0.008 . 1 . 577 . . 18 LEU C . 26984 1 83 . 1 1 18 18 LEU CA C 13 55.608 0.086 . 1 . 66 . . 18 LEU CA . 26984 1 84 . 1 1 18 18 LEU CB C 13 42.471 0.05 . 1 . 67 . . 18 LEU CB . 26984 1 85 . 1 1 18 18 LEU N N 15 126.941 0.017 . 1 . 64 . . 18 LEU N . 26984 1 86 . 1 1 19 19 LEU H H 1 8.817 0.004 . 1 . 69 . . 19 LEU H . 26984 1 87 . 1 1 19 19 LEU C C 13 174.122 . . 1 . 578 . . 19 LEU C . 26984 1 88 . 1 1 19 19 LEU CA C 13 51.692 . . 1 . 70 . . 19 LEU CA . 26984 1 89 . 1 1 19 19 LEU CB C 13 47.295 . . 1 . 71 . . 19 LEU CB . 26984 1 90 . 1 1 19 19 LEU N N 15 124.290 0.02 . 1 . 68 . . 19 LEU N . 26984 1 91 . 1 1 20 20 PRO C C 13 178.494 0.016 . 1 . 579 . . 20 PRO C . 26984 1 92 . 1 1 20 20 PRO CA C 13 62.217 0.063 . 1 . 72 . . 20 PRO CA . 26984 1 93 . 1 1 20 20 PRO CB C 13 32.218 0.031 . 1 . 73 . . 20 PRO CB . 26984 1 94 . 1 1 21 21 ILE H H 1 9.644 0.003 . 1 . 75 . . 21 ILE H . 26984 1 95 . 1 1 21 21 ILE C C 13 175.710 0.009 . 1 . 580 . . 21 ILE C . 26984 1 96 . 1 1 21 21 ILE CA C 13 64.874 0.105 . 1 . 76 . . 21 ILE CA . 26984 1 97 . 1 1 21 21 ILE CB C 13 37.765 0.107 . 1 . 77 . . 21 ILE CB . 26984 1 98 . 1 1 21 21 ILE N N 15 128.052 0.011 . 1 . 74 . . 21 ILE N . 26984 1 99 . 1 1 22 22 GLY H H 1 8.825 0.003 . 1 . 79 . . 22 GLY H . 26984 1 100 . 1 1 22 22 GLY C C 13 174.724 0.009 . 1 . 581 . . 22 GLY C . 26984 1 101 . 1 1 22 22 GLY CA C 13 45.300 0.059 . 1 . 80 . . 22 GLY CA . 26984 1 102 . 1 1 22 22 GLY N N 15 109.452 0.014 . 1 . 78 . . 22 GLY N . 26984 1 103 . 1 1 23 23 LYS H H 1 6.167 0.006 . 1 . 82 . . 23 LYS H . 26984 1 104 . 1 1 23 23 LYS C C 13 178.076 0.015 . 1 . 582 . . 23 LYS C . 26984 1 105 . 1 1 23 23 LYS CA C 13 58.612 0.004 . 1 . 83 . . 23 LYS CA . 26984 1 106 . 1 1 23 23 LYS CB C 13 33.122 0.034 . 1 . 84 . . 23 LYS CB . 26984 1 107 . 1 1 23 23 LYS N N 15 118.926 0.018 . 1 . 81 . . 23 LYS N . 26984 1 108 . 1 1 24 24 ILE H H 1 7.365 0.004 . 1 . 86 . . 24 ILE H . 26984 1 109 . 1 1 24 24 ILE C C 13 178.082 0.015 . 1 . 583 . . 24 ILE C . 26984 1 110 . 1 1 24 24 ILE CA C 13 65.661 0.069 . 1 . 87 . . 24 ILE CA . 26984 1 111 . 1 1 24 24 ILE CB C 13 38.329 0.083 . 1 . 88 . . 24 ILE CB . 26984 1 112 . 1 1 24 24 ILE N N 15 117.065 0.019 . 1 . 85 . . 24 ILE N . 26984 1 113 . 1 1 25 25 VAL H H 1 8.239 0.004 . 1 . 90 . . 25 VAL H . 26984 1 114 . 1 1 25 25 VAL C C 13 178.746 0.067 . 1 . 584 . . 25 VAL C . 26984 1 115 . 1 1 25 25 VAL CA C 13 67.638 0.038 . 1 . 91 . . 25 VAL CA . 26984 1 116 . 1 1 25 25 VAL CB C 13 31.586 0.086 . 1 . 92 . . 25 VAL CB . 26984 1 117 . 1 1 25 25 VAL N N 15 115.434 0.027 . 1 . 89 . . 25 VAL N . 26984 1 118 . 1 1 26 26 GLU H H 1 8.779 0.005 . 1 . 94 . . 26 GLU H . 26984 1 119 . 1 1 26 26 GLU C C 13 178.866 0.021 . 1 . 585 . . 26 GLU C . 26984 1 120 . 1 1 26 26 GLU CA C 13 60.307 0.029 . 1 . 95 . . 26 GLU CA . 26984 1 121 . 1 1 26 26 GLU CB C 13 29.790 0.036 . 1 . 96 . . 26 GLU CB . 26984 1 122 . 1 1 26 26 GLU N N 15 120.306 0.06 . 1 . 93 . . 26 GLU N . 26984 1 123 . 1 1 27 27 LYS H H 1 7.684 0.004 . 1 . 98 . . 27 LYS H . 26984 1 124 . 1 1 27 27 LYS C C 13 174.723 0.008 . 1 . 586 . . 27 LYS C . 26984 1 125 . 1 1 27 27 LYS CA C 13 54.653 0.061 . 1 . 99 . . 27 LYS CA . 26984 1 126 . 1 1 27 27 LYS CB C 13 31.483 0.027 . 1 . 100 . . 27 LYS CB . 26984 1 127 . 1 1 27 27 LYS N N 15 113.279 0.026 . 1 . 97 . . 27 LYS N . 26984 1 128 . 1 1 28 28 ARG H H 1 7.482 0.005 . 1 . 102 . . 28 ARG H . 26984 1 129 . 1 1 28 28 ARG C C 13 174.618 0.012 . 1 . 587 . . 28 ARG C . 26984 1 130 . 1 1 28 28 ARG CA C 13 55.910 0.126 . 1 . 103 . . 28 ARG CA . 26984 1 131 . 1 1 28 28 ARG CB C 13 27.426 0.07 . 1 . 104 . . 28 ARG CB . 26984 1 132 . 1 1 28 28 ARG N N 15 123.812 0.025 . 1 . 101 . . 28 ARG N . 26984 1 133 . 1 1 29 29 ILE H H 1 8.468 0.002 . 1 . 106 . . 29 ILE H . 26984 1 134 . 1 1 29 29 ILE C C 13 176.989 0.014 . 1 . 588 . . 29 ILE C . 26984 1 135 . 1 1 29 29 ILE CA C 13 63.413 0.125 . 1 . 107 . . 29 ILE CA . 26984 1 136 . 1 1 29 29 ILE CB C 13 38.771 0.085 . 1 . 108 . . 29 ILE CB . 26984 1 137 . 1 1 29 29 ILE N N 15 118.066 0.026 . 1 . 105 . . 29 ILE N . 26984 1 138 . 1 1 30 30 GLU H H 1 8.467 0.002 . 1 . 110 . . 30 GLU H . 26984 1 139 . 1 1 30 30 GLU C C 13 175.596 0.015 . 1 . 589 . . 30 GLU C . 26984 1 140 . 1 1 30 30 GLU CA C 13 56.233 0.093 . 1 . 111 . . 30 GLU CA . 26984 1 141 . 1 1 30 30 GLU CB C 13 28.881 0.023 . 1 . 112 . . 30 GLU CB . 26984 1 142 . 1 1 30 30 GLU N N 15 129.130 0.015 . 1 . 109 . . 30 GLU N . 26984 1 143 . 1 1 31 31 CYS H H 1 8.198 0.003 . 1 . 114 . . 31 CYS H . 26984 1 144 . 1 1 31 31 CYS C C 13 171.357 0.003 . 1 . 590 . . 31 CYS C . 26984 1 145 . 1 1 31 31 CYS CA C 13 55.977 0.037 . 1 . 115 . . 31 CYS CA . 26984 1 146 . 1 1 31 31 CYS CB C 13 30.184 0.069 . 1 . 116 . . 31 CYS CB . 26984 1 147 . 1 1 31 31 CYS N N 15 118.991 0.03 . 1 . 113 . . 31 CYS N . 26984 1 148 . 1 1 32 32 THR H H 1 10.797 0.01 . 1 . 118 . . 32 THR H . 26984 1 149 . 1 1 32 32 THR C C 13 174.261 0.004 . 1 . 591 . . 32 THR C . 26984 1 150 . 1 1 32 32 THR CA C 13 62.834 0.109 . 1 . 119 . . 32 THR CA . 26984 1 151 . 1 1 32 32 THR CB C 13 68.138 0.162 . 1 . 120 . . 32 THR CB . 26984 1 152 . 1 1 32 32 THR N N 15 121.741 0.019 . 1 . 117 . . 32 THR N . 26984 1 153 . 1 1 33 33 VAL H H 1 8.792 0.002 . 1 . 122 . . 33 VAL H . 26984 1 154 . 1 1 33 33 VAL C C 13 173.777 0.005 . 1 . 592 . . 33 VAL C . 26984 1 155 . 1 1 33 33 VAL CA C 13 59.063 0.146 . 1 . 123 . . 33 VAL CA . 26984 1 156 . 1 1 33 33 VAL CB C 13 32.949 0.042 . 1 . 124 . . 33 VAL CB . 26984 1 157 . 1 1 33 33 VAL N N 15 119.474 0.065 . 1 . 121 . . 33 VAL N . 26984 1 158 . 1 1 34 34 TYR H H 1 8.938 0.005 . 1 . 126 . . 34 TYR H . 26984 1 159 . 1 1 34 34 TYR C C 13 175.062 0.009 . 1 . 593 . . 34 TYR C . 26984 1 160 . 1 1 34 34 TYR CA C 13 57.741 0.127 . 1 . 127 . . 34 TYR CA . 26984 1 161 . 1 1 34 34 TYR CB C 13 40.145 0.046 . 1 . 128 . . 34 TYR CB . 26984 1 162 . 1 1 34 34 TYR N N 15 117.446 0.047 . 1 . 125 . . 34 TYR N . 26984 1 163 . 1 1 35 35 SER H H 1 8.929 0.005 . 1 . 130 . . 35 SER H . 26984 1 164 . 1 1 35 35 SER C C 13 172.923 0.004 . 1 . 594 . . 35 SER C . 26984 1 165 . 1 1 35 35 SER CA C 13 57.127 0.124 . 1 . 131 . . 35 SER CA . 26984 1 166 . 1 1 35 35 SER CB C 13 66.457 0.049 . 1 . 132 . . 35 SER CB . 26984 1 167 . 1 1 35 35 SER N N 15 116.423 0.14 . 1 . 129 . . 35 SER N . 26984 1 168 . 1 1 36 36 VAL H H 1 9.714 0.005 . 1 . 134 . . 36 VAL H . 26984 1 169 . 1 1 36 36 VAL C C 13 176.280 0.004 . 1 . 595 . . 36 VAL C . 26984 1 170 . 1 1 36 36 VAL CA C 13 59.997 0.085 . 1 . 135 . . 36 VAL CA . 26984 1 171 . 1 1 36 36 VAL CB C 13 35.337 0.163 . 1 . 136 . . 36 VAL CB . 26984 1 172 . 1 1 36 36 VAL N N 15 121.163 0.106 . 1 . 133 . . 36 VAL N . 26984 1 173 . 1 1 37 37 ASP H H 1 8.647 0.005 . 1 . 138 . . 37 ASP H . 26984 1 174 . 1 1 37 37 ASP C C 13 177.195 0.01 . 1 . 596 . . 37 ASP C . 26984 1 175 . 1 1 37 37 ASP CA C 13 52.415 0.113 . 1 . 139 . . 37 ASP CA . 26984 1 176 . 1 1 37 37 ASP CB C 13 41.900 0.047 . 1 . 140 . . 37 ASP CB . 26984 1 177 . 1 1 37 37 ASP N N 15 124.445 0.064 . 1 . 137 . . 37 ASP N . 26984 1 178 . 1 1 38 38 ASN H H 1 8.399 0.001 . 1 . 142 . . 38 ASN H . 26984 1 179 . 1 1 38 38 ASN HD21 H 1 7.537 . . 1 . 146 . . 38 ASN HD21 . 26984 1 180 . 1 1 38 38 ASN HD22 H 1 6.802 . . 1 . 147 . . 38 ASN HD22 . 26984 1 181 . 1 1 38 38 ASN C C 13 175.491 0.007 . 1 . 597 . . 38 ASN C . 26984 1 182 . 1 1 38 38 ASN CA C 13 55.312 0.124 . 1 . 143 . . 38 ASN CA . 26984 1 183 . 1 1 38 38 ASN CB C 13 37.827 0.042 . 1 . 144 . . 38 ASN CB . 26984 1 184 . 1 1 38 38 ASN N N 15 114.395 0.063 . 1 . 141 . . 38 ASN N . 26984 1 185 . 1 1 38 38 ASN ND2 N 15 111.480 0.003 . 1 . 145 . . 38 ASN ND2 . 26984 1 186 . 1 1 39 39 ASN H H 1 8.281 0.005 . 1 . 149 . . 39 ASN H . 26984 1 187 . 1 1 39 39 ASN HD21 H 1 7.570 . . 1 . 153 . . 39 ASN HD21 . 26984 1 188 . 1 1 39 39 ASN HD22 H 1 6.862 . . 1 . 154 . . 39 ASN HD22 . 26984 1 189 . 1 1 39 39 ASN C C 13 175.300 0.017 . 1 . 598 . . 39 ASN C . 26984 1 190 . 1 1 39 39 ASN CA C 13 52.919 0.055 . 1 . 150 . . 39 ASN CA . 26984 1 191 . 1 1 39 39 ASN CB C 13 40.109 0.044 . 1 . 151 . . 39 ASN CB . 26984 1 192 . 1 1 39 39 ASN N N 15 116.636 0.033 . 1 . 148 . . 39 ASN N . 26984 1 193 . 1 1 39 39 ASN ND2 N 15 113.303 0.047 . 1 . 152 . . 39 ASN ND2 . 26984 1 194 . 1 1 40 40 GLY H H 1 8.043 0.006 . 1 . 156 . . 40 GLY H . 26984 1 195 . 1 1 40 40 GLY C C 13 174.060 0.006 . 1 . 599 . . 40 GLY C . 26984 1 196 . 1 1 40 40 GLY CA C 13 45.546 0.037 . 1 . 157 . . 40 GLY CA . 26984 1 197 . 1 1 40 40 GLY N N 15 107.898 0.038 . 1 . 155 . . 40 GLY N . 26984 1 198 . 1 1 41 41 ASN H H 1 8.411 0.005 . 1 . 159 . . 41 ASN H . 26984 1 199 . 1 1 41 41 ASN HD21 H 1 8.399 . . 1 . 163 . . 41 ASN HD21 . 26984 1 200 . 1 1 41 41 ASN HD22 H 1 7.142 . . 1 . 164 . . 41 ASN HD22 . 26984 1 201 . 1 1 41 41 ASN C C 13 173.877 0.007 . 1 . 600 . . 41 ASN C . 26984 1 202 . 1 1 41 41 ASN CA C 13 53.284 0.051 . 1 . 160 . . 41 ASN CA . 26984 1 203 . 1 1 41 41 ASN CB C 13 39.053 0.122 . 1 . 161 . . 41 ASN CB . 26984 1 204 . 1 1 41 41 ASN N N 15 119.597 0.061 . 1 . 158 . . 41 ASN N . 26984 1 205 . 1 1 41 41 ASN ND2 N 15 117.307 0.002 . 1 . 162 . . 41 ASN ND2 . 26984 1 206 . 1 1 42 42 ILE H H 1 8.191 0.003 . 1 . 166 . . 42 ILE H . 26984 1 207 . 1 1 42 42 ILE C C 13 175.894 0.005 . 1 . 601 . . 42 ILE C . 26984 1 208 . 1 1 42 42 ILE CA C 13 60.254 0.036 . 1 . 167 . . 42 ILE CA . 26984 1 209 . 1 1 42 42 ILE CB C 13 38.687 0.165 . 1 . 168 . . 42 ILE CB . 26984 1 210 . 1 1 42 42 ILE N N 15 121.423 0.02 . 1 . 165 . . 42 ILE N . 26984 1 211 . 1 1 43 43 TYR H H 1 9.512 0.003 . 1 . 170 . . 43 TYR H . 26984 1 212 . 1 1 43 43 TYR C C 13 174.654 0.006 . 1 . 602 . . 43 TYR C . 26984 1 213 . 1 1 43 43 TYR CA C 13 56.475 0.037 . 1 . 171 . . 43 TYR CA . 26984 1 214 . 1 1 43 43 TYR CB C 13 41.838 0.101 . 1 . 172 . . 43 TYR CB . 26984 1 215 . 1 1 43 43 TYR N N 15 129.587 0.055 . 1 . 169 . . 43 TYR N . 26984 1 216 . 1 1 44 44 THR H H 1 7.985 0.004 . 1 . 174 . . 44 THR H . 26984 1 217 . 1 1 44 44 THR C C 13 174.843 0.032 . 1 . 603 . . 44 THR C . 26984 1 218 . 1 1 44 44 THR CA C 13 58.545 0.04 . 1 . 175 . . 44 THR CA . 26984 1 219 . 1 1 44 44 THR CB C 13 69.980 0.086 . 1 . 176 . . 44 THR CB . 26984 1 220 . 1 1 44 44 THR N N 15 111.733 0.2 . 1 . 173 . . 44 THR N . 26984 1 221 . 1 1 45 45 GLN H H 1 8.579 0.004 . 1 . 178 . . 45 GLN H . 26984 1 222 . 1 1 45 45 GLN C C 13 171.597 . . 1 . 604 . . 45 GLN C . 26984 1 223 . 1 1 45 45 GLN CA C 13 53.552 . . 1 . 179 . . 45 GLN CA . 26984 1 224 . 1 1 45 45 GLN CB C 13 30.027 . . 1 . 180 . . 45 GLN CB . 26984 1 225 . 1 1 45 45 GLN N N 15 118.504 0.028 . 1 . 177 . . 45 GLN N . 26984 1 226 . 1 1 46 46 PRO C C 13 177.365 0.001 . 1 . 605 . . 46 PRO C . 26984 1 227 . 1 1 46 46 PRO CA C 13 62.131 0.063 . 1 . 181 . . 46 PRO CA . 26984 1 228 . 1 1 46 46 PRO CB C 13 32.234 0.014 . 1 . 182 . . 46 PRO CB . 26984 1 229 . 1 1 47 47 VAL H H 1 8.344 0.004 . 1 . 184 . . 47 VAL H . 26984 1 230 . 1 1 47 47 VAL C C 13 175.301 0.015 . 1 . 606 . . 47 VAL C . 26984 1 231 . 1 1 47 47 VAL CA C 13 65.913 0.073 . 1 . 185 . . 47 VAL CA . 26984 1 232 . 1 1 47 47 VAL CB C 13 31.773 0.122 . 1 . 186 . . 47 VAL CB . 26984 1 233 . 1 1 47 47 VAL N N 15 121.023 0.011 . 1 . 183 . . 47 VAL N . 26984 1 234 . 1 1 48 48 ALA H H 1 8.207 0.006 . 1 . 188 . . 48 ALA H . 26984 1 235 . 1 1 48 48 ALA C C 13 176.454 0.015 . 1 . 607 . . 48 ALA C . 26984 1 236 . 1 1 48 48 ALA CA C 13 51.846 0.066 . 1 . 189 . . 48 ALA CA . 26984 1 237 . 1 1 48 48 ALA CB C 13 21.588 0.024 . 1 . 190 . . 48 ALA CB . 26984 1 238 . 1 1 48 48 ALA N N 15 127.838 0.039 . 1 . 187 . . 48 ALA N . 26984 1 239 . 1 1 49 49 GLN H H 1 6.976 0.006 . 1 . 192 . . 49 GLN H . 26984 1 240 . 1 1 49 49 GLN HE21 H 1 7.588 . . 1 . 196 . . 49 GLN HE21 . 26984 1 241 . 1 1 49 49 GLN HE22 H 1 6.772 . . 1 . 197 . . 49 GLN HE22 . 26984 1 242 . 1 1 49 49 GLN C C 13 173.067 0.005 . 1 . 608 . . 49 GLN C . 26984 1 243 . 1 1 49 49 GLN CA C 13 54.810 0.042 . 1 . 193 . . 49 GLN CA . 26984 1 244 . 1 1 49 49 GLN CB C 13 33.789 0.199 . 1 . 194 . . 49 GLN CB . 26984 1 245 . 1 1 49 49 GLN N N 15 113.794 0.019 . 1 . 191 . . 49 GLN N . 26984 1 246 . 1 1 49 49 GLN NE2 N 15 112.423 . . 1 . 195 . . 49 GLN NE2 . 26984 1 247 . 1 1 50 50 TRP H H 1 8.626 0.003 . 1 . 199 . . 50 TRP H . 26984 1 248 . 1 1 50 50 TRP HE1 H 1 9.507 . . 1 . 203 . . 50 TRP HE1 . 26984 1 249 . 1 1 50 50 TRP C C 13 174.295 0.011 . 1 . 609 . . 50 TRP C . 26984 1 250 . 1 1 50 50 TRP CA C 13 58.655 0.018 . 1 . 200 . . 50 TRP CA . 26984 1 251 . 1 1 50 50 TRP CB C 13 31.876 0.232 . 1 . 201 . . 50 TRP CB . 26984 1 252 . 1 1 50 50 TRP N N 15 123.769 0.041 . 1 . 198 . . 50 TRP N . 26984 1 253 . 1 1 50 50 TRP NE1 N 15 127.633 . . 1 . 202 . . 50 TRP NE1 . 26984 1 254 . 1 1 51 51 HIS H H 1 8.586 0.007 . 1 . 205 . . 51 HIS H . 26984 1 255 . 1 1 51 51 HIS C C 13 173.971 0.017 . 1 . 697 . . 51 HIS C . 26984 1 256 . 1 1 51 51 HIS CA C 13 55.295 0.055 . 1 . 206 . . 51 HIS CA . 26984 1 257 . 1 1 51 51 HIS CB C 13 32.312 0.076 . 1 . 207 . . 51 HIS CB . 26984 1 258 . 1 1 51 51 HIS N N 15 120.187 0.063 . 1 . 204 . . 51 HIS N . 26984 1 259 . 1 1 52 52 ASP H H 1 9.082 0.003 . 1 . 209 . . 52 ASP H . 26984 1 260 . 1 1 52 52 ASP C C 13 177.458 0.012 . 1 . 610 . . 52 ASP C . 26984 1 261 . 1 1 52 52 ASP CA C 13 53.627 0.068 . 1 . 210 . . 52 ASP CA . 26984 1 262 . 1 1 52 52 ASP CB C 13 40.788 0.046 . 1 . 211 . . 52 ASP CB . 26984 1 263 . 1 1 52 52 ASP N N 15 127.546 0.022 . 1 . 208 . . 52 ASP N . 26984 1 264 . 1 1 53 53 ARG H H 1 8.079 0.002 . 1 . 213 . . 53 ARG H . 26984 1 265 . 1 1 53 53 ARG C C 13 175.920 0.01 . 1 . 611 . . 53 ARG C . 26984 1 266 . 1 1 53 53 ARG CA C 13 54.709 0.03 . 1 . 214 . . 53 ARG CA . 26984 1 267 . 1 1 53 53 ARG CB C 13 29.949 0.044 . 1 . 215 . . 53 ARG CB . 26984 1 268 . 1 1 53 53 ARG N N 15 123.292 0.016 . 1 . 212 . . 53 ARG N . 26984 1 269 . 1 1 54 54 GLY H H 1 8.526 0.005 . 1 . 217 . . 54 GLY H . 26984 1 270 . 1 1 54 54 GLY C C 13 172.447 0.002 . 1 . 612 . . 54 GLY C . 26984 1 271 . 1 1 54 54 GLY CA C 13 45.053 0.082 . 1 . 218 . . 54 GLY CA . 26984 1 272 . 1 1 54 54 GLY N N 15 109.681 0.03 . 1 . 216 . . 54 GLY N . 26984 1 273 . 1 1 55 55 GLU H H 1 8.151 0.005 . 1 . 220 . . 55 GLU H . 26984 1 274 . 1 1 55 55 GLU C C 13 176.734 0.014 . 1 . 613 . . 55 GLU C . 26984 1 275 . 1 1 55 55 GLU CA C 13 55.988 0.092 . 1 . 221 . . 55 GLU CA . 26984 1 276 . 1 1 55 55 GLU CB C 13 30.569 0.031 . 1 . 222 . . 55 GLU CB . 26984 1 277 . 1 1 55 55 GLU N N 15 119.017 0.012 . 1 . 219 . . 55 GLU N . 26984 1 278 . 1 1 56 56 GLN H H 1 8.504 0.002 . 1 . 224 . . 56 GLN H . 26984 1 279 . 1 1 56 56 GLN HE21 H 1 7.271 . . 1 . 228 . . 56 GLN HE21 . 26984 1 280 . 1 1 56 56 GLN HE22 H 1 6.853 . . 1 . 229 . . 56 GLN HE22 . 26984 1 281 . 1 1 56 56 GLN C C 13 174.494 0.001 . 1 . 614 . . 56 GLN C . 26984 1 282 . 1 1 56 56 GLN CA C 13 53.195 0.028 . 1 . 225 . . 56 GLN CA . 26984 1 283 . 1 1 56 56 GLN CB C 13 32.920 0.054 . 1 . 226 . . 56 GLN CB . 26984 1 284 . 1 1 56 56 GLN N N 15 121.545 0.025 . 1 . 223 . . 56 GLN N . 26984 1 285 . 1 1 56 56 GLN NE2 N 15 111.330 0.001 . 1 . 227 . . 56 GLN NE2 . 26984 1 286 . 1 1 57 57 GLU H H 1 8.765 0.001 . 1 . 231 . . 57 GLU H . 26984 1 287 . 1 1 57 57 GLU C C 13 175.831 0.005 . 1 . 615 . . 57 GLU C . 26984 1 288 . 1 1 57 57 GLU CA C 13 57.899 0.126 . 1 . 232 . . 57 GLU CA . 26984 1 289 . 1 1 57 57 GLU CB C 13 30.637 0.035 . 1 . 233 . . 57 GLU CB . 26984 1 290 . 1 1 57 57 GLU N N 15 119.502 0.054 . 1 . 230 . . 57 GLU N . 26984 1 291 . 1 1 58 58 VAL H H 1 8.386 0.003 . 1 . 235 . . 58 VAL H . 26984 1 292 . 1 1 58 58 VAL C C 13 173.394 0.01 . 1 . 616 . . 58 VAL C . 26984 1 293 . 1 1 58 58 VAL CA C 13 62.130 0.065 . 1 . 236 . . 58 VAL CA . 26984 1 294 . 1 1 58 58 VAL CB C 13 34.281 0.13 . 1 . 237 . . 58 VAL CB . 26984 1 295 . 1 1 58 58 VAL N N 15 124.079 0.024 . 1 . 234 . . 58 VAL N . 26984 1 296 . 1 1 59 59 PHE H H 1 8.665 0.006 . 1 . 239 . . 59 PHE H . 26984 1 297 . 1 1 59 59 PHE C C 13 172.459 0.005 . 1 . 617 . . 59 PHE C . 26984 1 298 . 1 1 59 59 PHE CA C 13 56.524 0.06 . 1 . 240 . . 59 PHE CA . 26984 1 299 . 1 1 59 59 PHE CB C 13 43.011 0.047 . 1 . 241 . . 59 PHE CB . 26984 1 300 . 1 1 59 59 PHE N N 15 124.809 0.084 . 1 . 238 . . 59 PHE N . 26984 1 301 . 1 1 60 60 GLU H H 1 9.295 0.004 . 1 . 243 . . 60 GLU H . 26984 1 302 . 1 1 60 60 GLU C C 13 174.425 0.002 . 1 . 618 . . 60 GLU C . 26984 1 303 . 1 1 60 60 GLU CA C 13 54.795 0.033 . 1 . 244 . . 60 GLU CA . 26984 1 304 . 1 1 60 60 GLU CB C 13 33.499 0.017 . 1 . 245 . . 60 GLU CB . 26984 1 305 . 1 1 60 60 GLU N N 15 120.681 0.026 . 1 . 242 . . 60 GLU N . 26984 1 306 . 1 1 61 61 TYR H H 1 9.773 0.003 . 1 . 247 . . 61 TYR H . 26984 1 307 . 1 1 61 61 TYR C C 13 174.011 0.031 . 1 . 619 . . 61 TYR C . 26984 1 308 . 1 1 61 61 TYR CA C 13 57.196 0.06 . 1 . 248 . . 61 TYR CA . 26984 1 309 . 1 1 61 61 TYR CB C 13 37.755 0.067 . 1 . 249 . . 61 TYR CB . 26984 1 310 . 1 1 61 61 TYR N N 15 130.885 0.018 . 1 . 246 . . 61 TYR N . 26984 1 311 . 1 1 62 62 CYS H H 1 8.654 0.005 . 1 . 251 . . 62 CYS H . 26984 1 312 . 1 1 62 62 CYS C C 13 174.826 0.004 . 1 . 620 . . 62 CYS C . 26984 1 313 . 1 1 62 62 CYS CA C 13 57.064 0.111 . 1 . 252 . . 62 CYS CA . 26984 1 314 . 1 1 62 62 CYS CB C 13 27.190 0.01 . 1 . 253 . . 62 CYS CB . 26984 1 315 . 1 1 62 62 CYS N N 15 124.105 0.024 . 1 . 250 . . 62 CYS N . 26984 1 316 . 1 1 63 63 LEU H H 1 9.421 0.003 . 1 . 255 . . 63 LEU H . 26984 1 317 . 1 1 63 63 LEU C C 13 179.778 0.014 . 1 . 621 . . 63 LEU C . 26984 1 318 . 1 1 63 63 LEU CA C 13 55.627 0.069 . 1 . 256 . . 63 LEU CA . 26984 1 319 . 1 1 63 63 LEU CB C 13 41.471 0.076 . 1 . 257 . . 63 LEU CB . 26984 1 320 . 1 1 63 63 LEU N N 15 130.002 0.029 . 1 . 254 . . 63 LEU N . 26984 1 321 . 1 1 64 64 GLU H H 1 8.498 0.004 . 1 . 259 . . 64 GLU H . 26984 1 322 . 1 1 64 64 GLU C C 13 175.586 0.015 . 1 . 622 . . 64 GLU C . 26984 1 323 . 1 1 64 64 GLU CA C 13 59.986 0.094 . 1 . 260 . . 64 GLU CA . 26984 1 324 . 1 1 64 64 GLU CB C 13 30.673 0.017 . 1 . 261 . . 64 GLU CB . 26984 1 325 . 1 1 64 64 GLU N N 15 118.172 0.036 . 1 . 258 . . 64 GLU N . 26984 1 326 . 1 1 65 65 ASP H H 1 7.526 0.007 . 1 . 263 . . 65 ASP H . 26984 1 327 . 1 1 65 65 ASP C C 13 177.352 0.015 . 1 . 623 . . 65 ASP C . 26984 1 328 . 1 1 65 65 ASP CA C 13 53.296 0.071 . 1 . 264 . . 65 ASP CA . 26984 1 329 . 1 1 65 65 ASP CB C 13 40.457 0.018 . 1 . 265 . . 65 ASP CB . 26984 1 330 . 1 1 65 65 ASP N N 15 114.211 0.022 . 1 . 262 . . 65 ASP N . 26984 1 331 . 1 1 66 66 GLY H H 1 8.200 0.005 . 1 . 267 . . 66 GLY H . 26984 1 332 . 1 1 66 66 GLY C C 13 174.645 0.006 . 1 . 624 . . 66 GLY C . 26984 1 333 . 1 1 66 66 GLY CA C 13 45.304 0.069 . 1 . 268 . . 66 GLY CA . 26984 1 334 . 1 1 66 66 GLY N N 15 108.915 0.053 . 1 . 266 . . 66 GLY N . 26984 1 335 . 1 1 67 67 SER H H 1 8.231 0.005 . 1 . 270 . . 67 SER H . 26984 1 336 . 1 1 67 67 SER C C 13 172.224 0.002 . 1 . 625 . . 67 SER C . 26984 1 337 . 1 1 67 67 SER CA C 13 60.047 0.117 . 1 . 271 . . 67 SER CA . 26984 1 338 . 1 1 67 67 SER CB C 13 63.964 0.011 . 1 . 272 . . 67 SER CB . 26984 1 339 . 1 1 67 67 SER N N 15 117.634 0.027 . 1 . 269 . . 67 SER N . 26984 1 340 . 1 1 68 68 LEU H H 1 8.175 0.005 . 1 . 274 . . 68 LEU H . 26984 1 341 . 1 1 68 68 LEU C C 13 177.721 0.007 . 1 . 626 . . 68 LEU C . 26984 1 342 . 1 1 68 68 LEU CA C 13 54.219 0.105 . 1 . 275 . . 68 LEU CA . 26984 1 343 . 1 1 68 68 LEU CB C 13 46.299 0.04 . 1 . 276 . . 68 LEU CB . 26984 1 344 . 1 1 68 68 LEU N N 15 117.886 0.082 . 1 . 273 . . 68 LEU N . 26984 1 345 . 1 1 69 69 ILE H H 1 8.866 0.005 . 1 . 278 . . 69 ILE H . 26984 1 346 . 1 1 69 69 ILE C C 13 174.637 0.017 . 1 . 627 . . 69 ILE C . 26984 1 347 . 1 1 69 69 ILE CA C 13 61.745 0.127 . 1 . 279 . . 69 ILE CA . 26984 1 348 . 1 1 69 69 ILE CB C 13 42.225 0.127 . 1 . 280 . . 69 ILE CB . 26984 1 349 . 1 1 69 69 ILE N N 15 122.012 0.05 . 1 . 277 . . 69 ILE N . 26984 1 350 . 1 1 70 70 ARG H H 1 9.521 0.003 . 1 . 282 . . 70 ARG H . 26984 1 351 . 1 1 70 70 ARG C C 13 174.038 0.004 . 1 . 628 . . 70 ARG C . 26984 1 352 . 1 1 70 70 ARG CA C 13 55.159 0.156 . 1 . 283 . . 70 ARG CA . 26984 1 353 . 1 1 70 70 ARG CB C 13 29.792 0.034 . 1 . 284 . . 70 ARG CB . 26984 1 354 . 1 1 70 70 ARG N N 15 129.363 0.073 . 1 . 281 . . 70 ARG N . 26984 1 355 . 1 1 71 71 ALA H H 1 8.981 0.004 . 1 . 286 . . 71 ALA H . 26984 1 356 . 1 1 71 71 ALA C C 13 177.315 0.005 . 1 . 629 . . 71 ALA C . 26984 1 357 . 1 1 71 71 ALA CA C 13 50.672 0.091 . 1 . 287 . . 71 ALA CA . 26984 1 358 . 1 1 71 71 ALA CB C 13 25.232 0.014 . 1 . 288 . . 71 ALA CB . 26984 1 359 . 1 1 71 71 ALA N N 15 124.327 0.058 . 1 . 285 . . 71 ALA N . 26984 1 360 . 1 1 72 72 THR H H 1 8.453 0.004 . 1 . 290 . . 72 THR H . 26984 1 361 . 1 1 72 72 THR C C 13 176.420 0.008 . 1 . 630 . . 72 THR C . 26984 1 362 . 1 1 72 72 THR CA C 13 62.390 0.033 . 1 . 291 . . 72 THR CA . 26984 1 363 . 1 1 72 72 THR CB C 13 70.175 0.04 . 1 . 292 . . 72 THR CB . 26984 1 364 . 1 1 72 72 THR N N 15 110.398 0.046 . 1 . 289 . . 72 THR N . 26984 1 365 . 1 1 73 73 LYS H H 1 9.119 0.002 . 1 . 294 . . 73 LYS H . 26984 1 366 . 1 1 73 73 LYS C C 13 176.203 0.029 . 1 . 631 . . 73 LYS C . 26984 1 367 . 1 1 73 73 LYS CA C 13 58.809 0.049 . 1 . 295 . . 73 LYS CA . 26984 1 368 . 1 1 73 73 LYS CB C 13 32.662 0.054 . 1 . 296 . . 73 LYS CB . 26984 1 369 . 1 1 73 73 LYS N N 15 119.737 0.036 . 1 . 293 . . 73 LYS N . 26984 1 370 . 1 1 74 74 ASP H H 1 8.069 0.01 . 1 . 298 . . 74 ASP H . 26984 1 371 . 1 1 74 74 ASP C C 13 176.692 0.006 . 1 . 632 . . 74 ASP C . 26984 1 372 . 1 1 74 74 ASP CA C 13 53.024 0.037 . 1 . 299 . . 74 ASP CA . 26984 1 373 . 1 1 74 74 ASP CB C 13 41.446 0.093 . 1 . 300 . . 74 ASP CB . 26984 1 374 . 1 1 74 74 ASP N N 15 112.553 0.123 . 1 . 297 . . 74 ASP N . 26984 1 375 . 1 1 75 75 HIS H H 1 7.994 0.004 . 1 . 302 . . 75 HIS H . 26984 1 376 . 1 1 75 75 HIS C C 13 176.553 . . 1 . 698 . . 75 HIS C . 26984 1 377 . 1 1 75 75 HIS CA C 13 58.567 . . 1 . 303 . . 75 HIS CA . 26984 1 378 . 1 1 75 75 HIS CB C 13 29.469 . . 1 . 304 . . 75 HIS CB . 26984 1 379 . 1 1 75 75 HIS N N 15 120.193 0.116 . 1 . 301 . . 75 HIS N . 26984 1 380 . 1 1 76 76 LYS C C 13 177.267 0.067 . 1 . 633 . . 76 LYS C . 26984 1 381 . 1 1 76 76 LYS CA C 13 56.926 0.051 . 1 . 305 . . 76 LYS CA . 26984 1 382 . 1 1 76 76 LYS CB C 13 33.813 0.071 . 1 . 306 . . 76 LYS CB . 26984 1 383 . 1 1 77 77 PHE H H 1 9.137 0.003 . 1 . 308 . . 77 PHE H . 26984 1 384 . 1 1 77 77 PHE C C 13 174.161 0.04 . 1 . 634 . . 77 PHE C . 26984 1 385 . 1 1 77 77 PHE CA C 13 56.715 0.104 . 1 . 309 . . 77 PHE CA . 26984 1 386 . 1 1 77 77 PHE CB C 13 45.828 0.176 . 1 . 310 . . 77 PHE CB . 26984 1 387 . 1 1 77 77 PHE N N 15 124.409 0.09 . 1 . 307 . . 77 PHE N . 26984 1 388 . 1 1 78 78 MET H H 1 8.435 0.006 . 1 . 312 . . 78 MET H . 26984 1 389 . 1 1 78 78 MET C C 13 178.344 0.012 . 1 . 635 . . 78 MET C . 26984 1 390 . 1 1 78 78 MET CA C 13 56.159 0.136 . 1 . 313 . . 78 MET CA . 26984 1 391 . 1 1 78 78 MET CB C 13 36.430 0.065 . 1 . 314 . . 78 MET CB . 26984 1 392 . 1 1 78 78 MET N N 15 119.023 0.136 . 1 . 311 . . 78 MET N . 26984 1 393 . 1 1 79 79 THR H H 1 9.406 0.002 . 1 . 316 . . 79 THR H . 26984 1 394 . 1 1 79 79 THR C C 13 177.664 0.005 . 1 . 636 . . 79 THR C . 26984 1 395 . 1 1 79 79 THR CA C 13 61.253 0.143 . 1 . 317 . . 79 THR CA . 26984 1 396 . 1 1 79 79 THR CB C 13 71.205 0.062 . 1 . 318 . . 79 THR CB . 26984 1 397 . 1 1 79 79 THR N N 15 119.420 0.017 . 1 . 315 . . 79 THR N . 26984 1 398 . 1 1 80 80 VAL H H 1 8.266 0.004 . 1 . 320 . . 80 VAL H . 26984 1 399 . 1 1 80 80 VAL C C 13 174.661 0.013 . 1 . 637 . . 80 VAL C . 26984 1 400 . 1 1 80 80 VAL CA C 13 65.083 0.099 . 1 . 321 . . 80 VAL CA . 26984 1 401 . 1 1 80 80 VAL CB C 13 32.128 0.083 . 1 . 322 . . 80 VAL CB . 26984 1 402 . 1 1 80 80 VAL N N 15 119.388 0.028 . 1 . 319 . . 80 VAL N . 26984 1 403 . 1 1 81 81 ASP H H 1 8.123 0.007 . 1 . 324 . . 81 ASP H . 26984 1 404 . 1 1 81 81 ASP C C 13 176.670 0.016 . 1 . 638 . . 81 ASP C . 26984 1 405 . 1 1 81 81 ASP CA C 13 53.458 0.077 . 1 . 325 . . 81 ASP CA . 26984 1 406 . 1 1 81 81 ASP CB C 13 40.063 0.023 . 1 . 326 . . 81 ASP CB . 26984 1 407 . 1 1 81 81 ASP N N 15 117.073 0.06 . 1 . 323 . . 81 ASP N . 26984 1 408 . 1 1 82 82 GLY H H 1 8.346 0.004 . 1 . 328 . . 82 GLY H . 26984 1 409 . 1 1 82 82 GLY C C 13 174.425 0.001 . 1 . 639 . . 82 GLY C . 26984 1 410 . 1 1 82 82 GLY CA C 13 45.952 0.034 . 1 . 329 . . 82 GLY CA . 26984 1 411 . 1 1 82 82 GLY N N 15 108.029 0.024 . 1 . 327 . . 82 GLY N . 26984 1 412 . 1 1 83 83 GLN H H 1 7.378 0.004 . 1 . 331 . . 83 GLN H . 26984 1 413 . 1 1 83 83 GLN HE21 H 1 8.061 . . 1 . 335 . . 83 GLN HE21 . 26984 1 414 . 1 1 83 83 GLN HE22 H 1 6.706 . . 1 . 336 . . 83 GLN HE22 . 26984 1 415 . 1 1 83 83 GLN C C 13 174.492 0.003 . 1 . 640 . . 83 GLN C . 26984 1 416 . 1 1 83 83 GLN CA C 13 55.359 0.056 . 1 . 332 . . 83 GLN CA . 26984 1 417 . 1 1 83 83 GLN CB C 13 30.850 0.018 . 1 . 333 . . 83 GLN CB . 26984 1 418 . 1 1 83 83 GLN N N 15 118.035 0.013 . 1 . 330 . . 83 GLN N . 26984 1 419 . 1 1 83 83 GLN NE2 N 15 112.974 0.01 . 1 . 334 . . 83 GLN NE2 . 26984 1 420 . 1 1 84 84 MET H H 1 8.453 0.003 . 1 . 338 . . 84 MET H . 26984 1 421 . 1 1 84 84 MET C C 13 175.277 0.013 . 1 . 641 . . 84 MET C . 26984 1 422 . 1 1 84 84 MET CA C 13 52.969 0.097 . 1 . 339 . . 84 MET CA . 26984 1 423 . 1 1 84 84 MET CB C 13 32.339 0.173 . 1 . 340 . . 84 MET CB . 26984 1 424 . 1 1 84 84 MET N N 15 119.849 0.116 . 1 . 337 . . 84 MET N . 26984 1 425 . 1 1 85 85 LEU H H 1 8.561 0.006 . 1 . 342 . . 85 LEU H . 26984 1 426 . 1 1 85 85 LEU C C 13 173.675 . . 1 . 642 . . 85 LEU C . 26984 1 427 . 1 1 85 85 LEU CA C 13 51.614 . . 1 . 343 . . 85 LEU CA . 26984 1 428 . 1 1 85 85 LEU CB C 13 45.692 . . 1 . 344 . . 85 LEU CB . 26984 1 429 . 1 1 85 85 LEU N N 15 124.408 0.029 . 1 . 341 . . 85 LEU N . 26984 1 430 . 1 1 86 86 PRO C C 13 178.522 0.021 . 1 . 643 . . 86 PRO C . 26984 1 431 . 1 1 86 86 PRO CA C 13 62.871 0.009 . 1 . 345 . . 86 PRO CA . 26984 1 432 . 1 1 86 86 PRO CB C 13 32.764 0.015 . 1 . 346 . . 86 PRO CB . 26984 1 433 . 1 1 87 87 ILE H H 1 9.014 0.012 . 1 . 348 . . 87 ILE H . 26984 1 434 . 1 1 87 87 ILE C C 13 175.719 0.015 . 1 . 644 . . 87 ILE C . 26984 1 435 . 1 1 87 87 ILE CA C 13 64.118 0.185 . 1 . 349 . . 87 ILE CA . 26984 1 436 . 1 1 87 87 ILE CB C 13 37.651 0.146 . 1 . 350 . . 87 ILE CB . 26984 1 437 . 1 1 87 87 ILE N N 15 126.665 0.069 . 1 . 347 . . 87 ILE N . 26984 1 438 . 1 1 88 88 ASP H H 1 7.761 0.005 . 1 . 352 . . 88 ASP H . 26984 1 439 . 1 1 88 88 ASP C C 13 178.425 0.022 . 1 . 645 . . 88 ASP C . 26984 1 440 . 1 1 88 88 ASP CA C 13 58.573 0.019 . 1 . 353 . . 88 ASP CA . 26984 1 441 . 1 1 88 88 ASP CB C 13 42.189 0.027 . 1 . 354 . . 88 ASP CB . 26984 1 442 . 1 1 88 88 ASP N N 15 119.685 0.218 . 1 . 351 . . 88 ASP N . 26984 1 443 . 1 1 89 89 GLU H H 1 7.146 0.006 . 1 . 356 . . 89 GLU H . 26984 1 444 . 1 1 89 89 GLU C C 13 178.231 0.01 . 1 . 646 . . 89 GLU C . 26984 1 445 . 1 1 89 89 GLU CA C 13 58.934 0.064 . 1 . 357 . . 89 GLU CA . 26984 1 446 . 1 1 89 89 GLU CB C 13 29.859 0.033 . 1 . 358 . . 89 GLU CB . 26984 1 447 . 1 1 89 89 GLU N N 15 117.099 0.026 . 1 . 355 . . 89 GLU N . 26984 1 448 . 1 1 90 90 ILE H H 1 7.762 0.006 . 1 . 360 . . 90 ILE H . 26984 1 449 . 1 1 90 90 ILE C C 13 178.081 0.022 . 1 . 647 . . 90 ILE C . 26984 1 450 . 1 1 90 90 ILE CA C 13 66.383 0.092 . 1 . 361 . . 90 ILE CA . 26984 1 451 . 1 1 90 90 ILE CB C 13 37.868 0.076 . 1 . 362 . . 90 ILE CB . 26984 1 452 . 1 1 90 90 ILE N N 15 120.915 0.048 . 1 . 359 . . 90 ILE N . 26984 1 453 . 1 1 91 91 PHE H H 1 8.135 0.004 . 1 . 364 . . 91 PHE H . 26984 1 454 . 1 1 91 91 PHE C C 13 178.835 0.01 . 1 . 648 . . 91 PHE C . 26984 1 455 . 1 1 91 91 PHE CA C 13 59.990 0.096 . 1 . 365 . . 91 PHE CA . 26984 1 456 . 1 1 91 91 PHE CB C 13 38.707 0.082 . 1 . 366 . . 91 PHE CB . 26984 1 457 . 1 1 91 91 PHE N N 15 116.381 0.019 . 1 . 363 . . 91 PHE N . 26984 1 458 . 1 1 92 92 GLU H H 1 8.684 0.002 . 1 . 368 . . 92 GLU H . 26984 1 459 . 1 1 92 92 GLU C C 13 178.613 0.015 . 1 . 649 . . 92 GLU C . 26984 1 460 . 1 1 92 92 GLU CA C 13 60.031 0.081 . 1 . 369 . . 92 GLU CA . 26984 1 461 . 1 1 92 92 GLU CB C 13 29.828 0.019 . 1 . 370 . . 92 GLU CB . 26984 1 462 . 1 1 92 92 GLU N N 15 121.391 0.02 . 1 . 367 . . 92 GLU N . 26984 1 463 . 1 1 93 93 ARG H H 1 8.372 0.002 . 1 . 372 . . 93 ARG H . 26984 1 464 . 1 1 93 93 ARG C C 13 174.567 0.004 . 1 . 650 . . 93 ARG C . 26984 1 465 . 1 1 93 93 ARG CA C 13 56.453 0.052 . 1 . 373 . . 93 ARG CA . 26984 1 466 . 1 1 93 93 ARG CB C 13 30.458 0.048 . 1 . 374 . . 93 ARG CB . 26984 1 467 . 1 1 93 93 ARG N N 15 114.540 0.08 . 1 . 371 . . 93 ARG N . 26984 1 468 . 1 1 94 94 GLU H H 1 7.577 0.005 . 1 . 376 . . 94 GLU H . 26984 1 469 . 1 1 94 94 GLU C C 13 175.740 0.014 . 1 . 651 . . 94 GLU C . 26984 1 470 . 1 1 94 94 GLU CA C 13 56.658 0.065 . 1 . 377 . . 94 GLU CA . 26984 1 471 . 1 1 94 94 GLU CB C 13 26.897 0.018 . 1 . 378 . . 94 GLU CB . 26984 1 472 . 1 1 94 94 GLU N N 15 116.374 0.047 . 1 . 375 . . 94 GLU N . 26984 1 473 . 1 1 95 95 LEU H H 1 8.081 0.006 . 1 . 380 . . 95 LEU H . 26984 1 474 . 1 1 95 95 LEU C C 13 175.327 0.018 . 1 . 652 . . 95 LEU C . 26984 1 475 . 1 1 95 95 LEU CA C 13 53.499 0.056 . 1 . 381 . . 95 LEU CA . 26984 1 476 . 1 1 95 95 LEU CB C 13 42.923 0.045 . 1 . 382 . . 95 LEU CB . 26984 1 477 . 1 1 95 95 LEU N N 15 117.341 0.029 . 1 . 379 . . 95 LEU N . 26984 1 478 . 1 1 96 96 ASP H H 1 8.161 0.021 . 1 . 384 . . 96 ASP H . 26984 1 479 . 1 1 96 96 ASP C C 13 177.025 0.029 . 1 . 653 . . 96 ASP C . 26984 1 480 . 1 1 96 96 ASP CA C 13 54.278 0.127 . 1 . 385 . . 96 ASP CA . 26984 1 481 . 1 1 96 96 ASP CB C 13 43.416 0.056 . 1 . 386 . . 96 ASP CB . 26984 1 482 . 1 1 96 96 ASP N N 15 117.181 0.259 . 1 . 383 . . 96 ASP N . 26984 1 483 . 1 1 97 97 LEU H H 1 9.007 0.006 . 1 . 388 . . 97 LEU H . 26984 1 484 . 1 1 97 97 LEU C C 13 176.764 0.021 . 1 . 654 . . 97 LEU C . 26984 1 485 . 1 1 97 97 LEU CA C 13 55.897 0.086 . 1 . 389 . . 97 LEU CA . 26984 1 486 . 1 1 97 97 LEU CB C 13 43.245 0.071 . 1 . 390 . . 97 LEU CB . 26984 1 487 . 1 1 97 97 LEU N N 15 124.013 0.043 . 1 . 387 . . 97 LEU N . 26984 1 488 . 1 1 98 98 MET H H 1 8.079 0.004 . 1 . 392 . . 98 MET H . 26984 1 489 . 1 1 98 98 MET C C 13 175.513 0.012 . 1 . 655 . . 98 MET C . 26984 1 490 . 1 1 98 98 MET CA C 13 55.620 0.141 . 1 . 393 . . 98 MET CA . 26984 1 491 . 1 1 98 98 MET CB C 13 34.699 0.024 . 1 . 394 . . 98 MET CB . 26984 1 492 . 1 1 98 98 MET N N 15 120.188 0.018 . 1 . 391 . . 98 MET N . 26984 1 493 . 1 1 99 99 ARG H H 1 7.995 0.007 . 1 . 396 . . 99 ARG H . 26984 1 494 . 1 1 99 99 ARG C C 13 175.545 0.02 . 1 . 656 . . 99 ARG C . 26984 1 495 . 1 1 99 99 ARG CA C 13 54.643 0.119 . 1 . 397 . . 99 ARG CA . 26984 1 496 . 1 1 99 99 ARG CB C 13 32.530 0.065 . 1 . 398 . . 99 ARG CB . 26984 1 497 . 1 1 99 99 ARG N N 15 123.430 0.05 . 1 . 395 . . 99 ARG N . 26984 1 498 . 1 1 100 100 VAL H H 1 8.841 0.004 . 1 . 400 . . 100 VAL H . 26984 1 499 . 1 1 100 100 VAL C C 13 175.895 0.009 . 1 . 657 . . 100 VAL C . 26984 1 500 . 1 1 100 100 VAL CA C 13 62.260 0.049 . 1 . 401 . . 100 VAL CA . 26984 1 501 . 1 1 100 100 VAL CB C 13 32.551 0.07 . 1 . 402 . . 100 VAL CB . 26984 1 502 . 1 1 100 100 VAL N N 15 120.824 0.245 . 1 . 399 . . 100 VAL N . 26984 1 503 . 1 1 101 101 ASP H H 1 8.713 0.003 . 1 . 404 . . 101 ASP H . 26984 1 504 . 1 1 101 101 ASP C C 13 174.127 0.012 . 1 . 658 . . 101 ASP C . 26984 1 505 . 1 1 101 101 ASP CA C 13 55.188 0.087 . 1 . 405 . . 101 ASP CA . 26984 1 506 . 1 1 101 101 ASP CB C 13 40.085 0.048 . 1 . 406 . . 101 ASP CB . 26984 1 507 . 1 1 101 101 ASP N N 15 121.300 0.035 . 1 . 403 . . 101 ASP N . 26984 1 508 . 1 1 102 102 ASN H H 1 7.334 0.005 . 1 . 408 . . 102 ASN H . 26984 1 509 . 1 1 102 102 ASN C C 13 172.964 0.002 . 1 . 659 . . 102 ASN C . 26984 1 510 . 1 1 102 102 ASN CA C 13 51.763 0.068 . 1 . 409 . . 102 ASN CA . 26984 1 511 . 1 1 102 102 ASN CB C 13 42.418 0.042 . 1 . 410 . . 102 ASN CB . 26984 1 512 . 1 1 102 102 ASN N N 15 114.786 0.01 . 1 . 407 . . 102 ASN N . 26984 1 513 . 1 1 103 103 LEU H H 1 8.202 0.004 . 1 . 412 . . 103 LEU H . 26984 1 514 . 1 1 103 103 LEU C C 13 175.513 . . 1 . 660 . . 103 LEU C . 26984 1 515 . 1 1 103 103 LEU CA C 13 52.430 . . 1 . 413 . . 103 LEU CA . 26984 1 516 . 1 1 103 103 LEU CB C 13 44.346 . . 1 . 414 . . 103 LEU CB . 26984 1 517 . 1 1 103 103 LEU N N 15 120.758 0.032 . 1 . 411 . . 103 LEU N . 26984 1 518 . 1 1 104 104 PRO C C 13 176.948 0.007 . 1 . 661 . . 104 PRO C . 26984 1 519 . 1 1 104 104 PRO CA C 13 62.931 0.08 . 1 . 415 . . 104 PRO CA . 26984 1 520 . 1 1 104 104 PRO CB C 13 35.190 0.011 . 1 . 416 . . 104 PRO CB . 26984 1 521 . 1 1 105 105 ASN H H 1 8.903 0.002 . 1 . 418 . . 105 ASN H . 26984 1 522 . 1 1 105 105 ASN C C 13 173.070 0.005 . 1 . 662 . . 105 ASN C . 26984 1 523 . 1 1 105 105 ASN CA C 13 54.228 0.285 . 1 . 419 . . 105 ASN CA . 26984 1 524 . 1 1 105 105 ASN CB C 13 38.277 0.116 . 1 . 420 . . 105 ASN CB . 26984 1 525 . 1 1 105 105 ASN N N 15 120.963 0.022 . 1 . 417 . . 105 ASN N . 26984 1 526 . 1 1 106 106 MET H H 1 7.309 0.005 . 1 . 422 . . 106 MET H . 26984 1 527 . 1 1 106 106 MET C C 13 173.987 0.005 . 1 . 663 . . 106 MET C . 26984 1 528 . 1 1 106 106 MET CA C 13 54.089 0.133 . 1 . 423 . . 106 MET CA . 26984 1 529 . 1 1 106 106 MET CB C 13 34.771 0.045 . 1 . 424 . . 106 MET CB . 26984 1 530 . 1 1 106 106 MET N N 15 114.920 0.017 . 1 . 421 . . 106 MET N . 26984 1 531 . 1 1 107 107 ILE H H 1 8.304 0.004 . 1 . 426 . . 107 ILE H . 26984 1 532 . 1 1 107 107 ILE C C 13 171.668 0.008 . 1 . 664 . . 107 ILE C . 26984 1 533 . 1 1 107 107 ILE CA C 13 60.678 0.082 . 1 . 427 . . 107 ILE CA . 26984 1 534 . 1 1 107 107 ILE CB C 13 41.797 0.094 . 1 . 428 . . 107 ILE CB . 26984 1 535 . 1 1 107 107 ILE N N 15 120.259 0.033 . 1 . 425 . . 107 ILE N . 26984 1 536 . 1 1 108 108 LYS H H 1 8.326 0.004 . 1 . 430 . . 108 LYS H . 26984 1 537 . 1 1 108 108 LYS C C 13 176.312 0.015 . 1 . 665 . . 108 LYS C . 26984 1 538 . 1 1 108 108 LYS CA C 13 55.518 0.087 . 1 . 431 . . 108 LYS CA . 26984 1 539 . 1 1 108 108 LYS CB C 13 35.438 0.05 . 1 . 432 . . 108 LYS CB . 26984 1 540 . 1 1 108 108 LYS N N 15 124.231 0.019 . 1 . 429 . . 108 LYS N . 26984 1 541 . 1 1 109 109 ILE H H 1 9.834 0.002 . 1 . 434 . . 109 ILE H . 26984 1 542 . 1 1 109 109 ILE C C 13 175.330 0.005 . 1 . 666 . . 109 ILE C . 26984 1 543 . 1 1 109 109 ILE CA C 13 62.787 0.088 . 1 . 435 . . 109 ILE CA . 26984 1 544 . 1 1 109 109 ILE CB C 13 38.849 0.091 . 1 . 436 . . 109 ILE CB . 26984 1 545 . 1 1 109 109 ILE N N 15 121.239 0.035 . 1 . 433 . . 109 ILE N . 26984 1 546 . 1 1 110 110 ALA H H 1 9.523 0.002 . 1 . 438 . . 110 ALA H . 26984 1 547 . 1 1 110 110 ALA C C 13 178.349 0.019 . 1 . 667 . . 110 ALA C . 26984 1 548 . 1 1 110 110 ALA CA C 13 54.460 0.075 . 1 . 439 . . 110 ALA CA . 26984 1 549 . 1 1 110 110 ALA CB C 13 21.134 0.023 . 1 . 440 . . 110 ALA CB . 26984 1 550 . 1 1 110 110 ALA N N 15 131.087 0.02 . 1 . 437 . . 110 ALA N . 26984 1 551 . 1 1 111 111 THR H H 1 8.024 0.005 . 1 . 442 . . 111 THR H . 26984 1 552 . 1 1 111 111 THR C C 13 171.219 0.006 . 1 . 668 . . 111 THR C . 26984 1 553 . 1 1 111 111 THR CA C 13 60.346 0.065 . 1 . 443 . . 111 THR CA . 26984 1 554 . 1 1 111 111 THR CB C 13 73.663 0.052 . 1 . 444 . . 111 THR CB . 26984 1 555 . 1 1 111 111 THR N N 15 106.504 0.034 . 1 . 441 . . 111 THR N . 26984 1 556 . 1 1 112 112 ARG H H 1 8.273 0.003 . 1 . 446 . . 112 ARG H . 26984 1 557 . 1 1 112 112 ARG C C 13 174.795 0.006 . 1 . 669 . . 112 ARG C . 26984 1 558 . 1 1 112 112 ARG CA C 13 54.421 0.101 . 1 . 447 . . 112 ARG CA . 26984 1 559 . 1 1 112 112 ARG CB C 13 33.742 0.066 . 1 . 448 . . 112 ARG CB . 26984 1 560 . 1 1 112 112 ARG N N 15 121.395 0.034 . 1 . 445 . . 112 ARG N . 26984 1 561 . 1 1 113 113 LYS H H 1 8.767 0.006 . 1 . 450 . . 113 LYS H . 26984 1 562 . 1 1 113 113 LYS C C 13 174.683 0.002 . 1 . 670 . . 113 LYS C . 26984 1 563 . 1 1 113 113 LYS CA C 13 54.755 0.021 . 1 . 451 . . 113 LYS CA . 26984 1 564 . 1 1 113 113 LYS CB C 13 36.473 0.06 . 1 . 452 . . 113 LYS CB . 26984 1 565 . 1 1 113 113 LYS N N 15 126.620 0.048 . 1 . 449 . . 113 LYS N . 26984 1 566 . 1 1 114 114 TYR H H 1 8.973 0.001 . 1 . 454 . . 114 TYR H . 26984 1 567 . 1 1 114 114 TYR C C 13 175.021 0.008 . 1 . 671 . . 114 TYR C . 26984 1 568 . 1 1 114 114 TYR CA C 13 57.956 0.11 . 1 . 455 . . 114 TYR CA . 26984 1 569 . 1 1 114 114 TYR CB C 13 38.295 0.029 . 1 . 456 . . 114 TYR CB . 26984 1 570 . 1 1 114 114 TYR N N 15 125.960 0.013 . 1 . 453 . . 114 TYR N . 26984 1 571 . 1 1 115 115 LEU H H 1 8.001 0.004 . 1 . 458 . . 115 LEU H . 26984 1 572 . 1 1 115 115 LEU C C 13 176.767 0.014 . 1 . 672 . . 115 LEU C . 26984 1 573 . 1 1 115 115 LEU CA C 13 54.684 0.034 . 1 . 459 . . 115 LEU CA . 26984 1 574 . 1 1 115 115 LEU CB C 13 42.914 0.04 . 1 . 460 . . 115 LEU CB . 26984 1 575 . 1 1 115 115 LEU N N 15 127.270 0.036 . 1 . 457 . . 115 LEU N . 26984 1 576 . 1 1 116 116 GLY H H 1 5.784 0.008 . 1 . 462 . . 116 GLY H . 26984 1 577 . 1 1 116 116 GLY C C 13 171.801 0.009 . 1 . 673 . . 116 GLY C . 26984 1 578 . 1 1 116 116 GLY CA C 13 44.082 0.035 . 1 . 463 . . 116 GLY CA . 26984 1 579 . 1 1 116 116 GLY N N 15 105.335 0.033 . 1 . 461 . . 116 GLY N . 26984 1 580 . 1 1 117 117 LYS H H 1 8.180 0.005 . 1 . 465 . . 117 LYS H . 26984 1 581 . 1 1 117 117 LYS C C 13 177.189 0.005 . 1 . 674 . . 117 LYS C . 26984 1 582 . 1 1 117 117 LYS CA C 13 55.889 0.058 . 1 . 466 . . 117 LYS CA . 26984 1 583 . 1 1 117 117 LYS CB C 13 33.149 0.031 . 1 . 467 . . 117 LYS CB . 26984 1 584 . 1 1 117 117 LYS N N 15 118.699 0.03 . 1 . 464 . . 117 LYS N . 26984 1 585 . 1 1 118 118 GLN H H 1 8.642 0.01 . 1 . 469 . . 118 GLN H . 26984 1 586 . 1 1 118 118 GLN C C 13 174.373 0.006 . 1 . 675 . . 118 GLN C . 26984 1 587 . 1 1 118 118 GLN CA C 13 53.897 0.037 . 1 . 470 . . 118 GLN CA . 26984 1 588 . 1 1 118 118 GLN CB C 13 32.953 0.097 . 1 . 471 . . 118 GLN CB . 26984 1 589 . 1 1 118 118 GLN N N 15 119.642 0.031 . 1 . 468 . . 118 GLN N . 26984 1 590 . 1 1 119 119 ASN H H 1 8.887 0.002 . 1 . 473 . . 119 ASN H . 26984 1 591 . 1 1 119 119 ASN HD21 H 1 6.773 . . 1 . 477 . . 119 ASN HD21 . 26984 1 592 . 1 1 119 119 ASN HD22 H 1 7.630 . . 1 . 478 . . 119 ASN HD22 . 26984 1 593 . 1 1 119 119 ASN C C 13 175.248 0.006 . 1 . 676 . . 119 ASN C . 26984 1 594 . 1 1 119 119 ASN CA C 13 54.816 0.107 . 1 . 474 . . 119 ASN CA . 26984 1 595 . 1 1 119 119 ASN CB C 13 39.404 0.008 . 1 . 475 . . 119 ASN CB . 26984 1 596 . 1 1 119 119 ASN N N 15 121.589 0.014 . 1 . 472 . . 119 ASN N . 26984 1 597 . 1 1 119 119 ASN ND2 N 15 113.285 0.054 . 1 . 476 . . 119 ASN ND2 . 26984 1 598 . 1 1 120 120 VAL H H 1 8.172 0.005 . 1 . 480 . . 120 VAL H . 26984 1 599 . 1 1 120 120 VAL C C 13 175.476 0.032 . 1 . 677 . . 120 VAL C . 26984 1 600 . 1 1 120 120 VAL CA C 13 60.358 0.038 . 1 . 481 . . 120 VAL CA . 26984 1 601 . 1 1 120 120 VAL CB C 13 35.101 0.064 . 1 . 482 . . 120 VAL CB . 26984 1 602 . 1 1 120 120 VAL N N 15 117.047 0.029 . 1 . 479 . . 120 VAL N . 26984 1 603 . 1 1 121 121 TYR H H 1 8.942 0.006 . 1 . 484 . . 121 TYR H . 26984 1 604 . 1 1 121 121 TYR C C 13 174.319 0.023 . 1 . 678 . . 121 TYR C . 26984 1 605 . 1 1 121 121 TYR CA C 13 58.776 0.04 . 1 . 485 . . 121 TYR CA . 26984 1 606 . 1 1 121 121 TYR CB C 13 45.474 0.04 . 1 . 486 . . 121 TYR CB . 26984 1 607 . 1 1 121 121 TYR N N 15 115.946 0.031 . 1 . 483 . . 121 TYR N . 26984 1 608 . 1 1 122 122 ASP H H 1 9.674 0.003 . 1 . 488 . . 122 ASP H . 26984 1 609 . 1 1 122 122 ASP C C 13 173.917 0.005 . 1 . 701 . . 122 ASP C . 26984 1 610 . 1 1 122 122 ASP CA C 13 54.108 0.109 . 1 . 489 . . 122 ASP CA . 26984 1 611 . 1 1 122 122 ASP CB C 13 45.791 0.029 . 1 . 490 . . 122 ASP CB . 26984 1 612 . 1 1 122 122 ASP N N 15 120.209 0.042 . 1 . 487 . . 122 ASP N . 26984 1 613 . 1 1 123 123 ILE H H 1 7.923 0.013 . 1 . 492 . . 123 ILE H . 26984 1 614 . 1 1 123 123 ILE C C 13 174.317 0.002 . 1 . 679 . . 123 ILE C . 26984 1 615 . 1 1 123 123 ILE CA C 13 59.447 0.084 . 1 . 493 . . 123 ILE CA . 26984 1 616 . 1 1 123 123 ILE CB C 13 42.620 0.094 . 1 . 494 . . 123 ILE CB . 26984 1 617 . 1 1 123 123 ILE N N 15 111.469 0.044 . 1 . 491 . . 123 ILE N . 26984 1 618 . 1 1 124 124 GLY H H 1 8.270 0.003 . 1 . 496 . . 124 GLY H . 26984 1 619 . 1 1 124 124 GLY C C 13 172.761 0.0 . 1 . 680 . . 124 GLY C . 26984 1 620 . 1 1 124 124 GLY CA C 13 44.783 0.05 . 1 . 497 . . 124 GLY CA . 26984 1 621 . 1 1 124 124 GLY N N 15 107.164 0.031 . 1 . 495 . . 124 GLY N . 26984 1 622 . 1 1 125 125 VAL H H 1 7.726 0.012 . 1 . 499 . . 125 VAL H . 26984 1 623 . 1 1 125 125 VAL C C 13 175.315 0.013 . 1 . 681 . . 125 VAL C . 26984 1 624 . 1 1 125 125 VAL CA C 13 59.789 0.003 . 1 . 500 . . 125 VAL CA . 26984 1 625 . 1 1 125 125 VAL CB C 13 36.455 0.077 . 1 . 501 . . 125 VAL CB . 26984 1 626 . 1 1 125 125 VAL N N 15 114.838 0.045 . 1 . 498 . . 125 VAL N . 26984 1 627 . 1 1 126 126 GLY H H 1 7.838 0.005 . 1 . 559 . . 126 GLY H . 26984 1 628 . 1 1 126 126 GLY C C 13 171.672 . . 1 . 700 . . 126 GLY C . 26984 1 629 . 1 1 126 126 GLY CA C 13 44.476 . . 1 . 560 . . 126 GLY CA . 26984 1 630 . 1 1 126 126 GLY N N 15 109.525 0.034 . 1 . 558 . . 126 GLY N . 26984 1 631 . 1 1 130 130 ASN C C 13 171.623 . . 1 . 682 . . 130 ASN C . 26984 1 632 . 1 1 130 130 ASN CA C 13 53.279 0.045 . 1 . 502 . . 130 ASN CA . 26984 1 633 . 1 1 130 130 ASN CB C 13 41.137 0.104 . 1 . 503 . . 130 ASN CB . 26984 1 634 . 1 1 131 131 PHE H H 1 8.422 0.004 . 1 . 505 . . 131 PHE H . 26984 1 635 . 1 1 131 131 PHE C C 13 174.114 0.008 . 1 . 683 . . 131 PHE C . 26984 1 636 . 1 1 131 131 PHE CA C 13 55.972 0.255 . 1 . 506 . . 131 PHE CA . 26984 1 637 . 1 1 131 131 PHE CB C 13 40.166 0.056 . 1 . 507 . . 131 PHE CB . 26984 1 638 . 1 1 131 131 PHE N N 15 111.964 0.05 . 1 . 504 . . 131 PHE N . 26984 1 639 . 1 1 132 132 ALA H H 1 8.472 0.002 . 1 . 509 . . 132 ALA H . 26984 1 640 . 1 1 132 132 ALA C C 13 178.786 0.017 . 1 . 684 . . 132 ALA C . 26984 1 641 . 1 1 132 132 ALA CA C 13 51.441 0.028 . 1 . 510 . . 132 ALA CA . 26984 1 642 . 1 1 132 132 ALA CB C 13 19.885 0.029 . 1 . 511 . . 132 ALA CB . 26984 1 643 . 1 1 132 132 ALA N N 15 121.510 0.132 . 1 . 508 . . 132 ALA N . 26984 1 644 . 1 1 133 133 LEU H H 1 9.309 0.005 . 1 . 513 . . 133 LEU H . 26984 1 645 . 1 1 133 133 LEU C C 13 177.813 0.007 . 1 . 685 . . 133 LEU C . 26984 1 646 . 1 1 133 133 LEU CA C 13 53.415 0.2 . 1 . 514 . . 133 LEU CA . 26984 1 647 . 1 1 133 133 LEU CB C 13 45.410 0.044 . 1 . 515 . . 133 LEU CB . 26984 1 648 . 1 1 133 133 LEU N N 15 122.089 0.022 . 1 . 512 . . 133 LEU N . 26984 1 649 . 1 1 134 134 LYS H H 1 7.886 0.005 . 1 . 517 . . 134 LYS H . 26984 1 650 . 1 1 134 134 LYS C C 13 176.617 . . 1 . 686 . . 134 LYS C . 26984 1 651 . 1 1 134 134 LYS CA C 13 58.858 0.079 . 1 . 518 . . 134 LYS CA . 26984 1 652 . 1 1 134 134 LYS CB C 13 33.474 0.053 . 1 . 519 . . 134 LYS CB . 26984 1 653 . 1 1 134 134 LYS N N 15 119.498 0.012 . 1 . 516 . . 134 LYS N . 26984 1 654 . 1 1 135 135 ASN H H 1 8.858 0.005 . 1 . 521 . . 135 ASN H . 26984 1 655 . 1 1 135 135 ASN C C 13 174.411 0.033 . 1 . 687 . . 135 ASN C . 26984 1 656 . 1 1 135 135 ASN CA C 13 55.702 0.146 . 1 . 522 . . 135 ASN CA . 26984 1 657 . 1 1 135 135 ASN CB C 13 37.522 0.051 . 1 . 523 . . 135 ASN CB . 26984 1 658 . 1 1 135 135 ASN N N 15 118.394 0.043 . 1 . 520 . . 135 ASN N . 26984 1 659 . 1 1 136 136 GLY H H 1 8.429 0.005 . 1 . 525 . . 136 GLY H . 26984 1 660 . 1 1 136 136 GLY C C 13 173.908 0.005 . 1 . 688 . . 136 GLY C . 26984 1 661 . 1 1 136 136 GLY CA C 13 46.149 0.036 . 1 . 526 . . 136 GLY CA . 26984 1 662 . 1 1 136 136 GLY N N 15 104.186 0.053 . 1 . 524 . . 136 GLY N . 26984 1 663 . 1 1 137 137 PHE H H 1 6.099 0.005 . 1 . 528 . . 137 PHE H . 26984 1 664 . 1 1 137 137 PHE C C 13 174.224 0.005 . 1 . 689 . . 137 PHE C . 26984 1 665 . 1 1 137 137 PHE CA C 13 57.426 0.102 . 1 . 529 . . 137 PHE CA . 26984 1 666 . 1 1 137 137 PHE CB C 13 39.688 0.068 . 1 . 530 . . 137 PHE CB . 26984 1 667 . 1 1 137 137 PHE N N 15 116.488 0.018 . 1 . 527 . . 137 PHE N . 26984 1 668 . 1 1 138 138 ILE H H 1 9.724 0.003 . 1 . 532 . . 138 ILE H . 26984 1 669 . 1 1 138 138 ILE C C 13 174.196 0.02 . 1 . 690 . . 138 ILE C . 26984 1 670 . 1 1 138 138 ILE CA C 13 58.324 0.175 . 1 . 533 . . 138 ILE CA . 26984 1 671 . 1 1 138 138 ILE CB C 13 37.246 0.082 . 1 . 534 . . 138 ILE CB . 26984 1 672 . 1 1 138 138 ILE N N 15 122.368 0.052 . 1 . 531 . . 138 ILE N . 26984 1 673 . 1 1 139 139 ALA H H 1 8.419 0.003 . 1 . 536 . . 139 ALA H . 26984 1 674 . 1 1 139 139 ALA C C 13 176.433 0.013 . 1 . 691 . . 139 ALA C . 26984 1 675 . 1 1 139 139 ALA CA C 13 49.362 0.046 . 1 . 537 . . 139 ALA CA . 26984 1 676 . 1 1 139 139 ALA CB C 13 21.177 0.031 . 1 . 538 . . 139 ALA CB . 26984 1 677 . 1 1 139 139 ALA N N 15 129.374 0.041 . 1 . 535 . . 139 ALA N . 26984 1 678 . 1 1 140 140 SER H H 1 7.528 0.005 . 1 . 540 . . 140 SER H . 26984 1 679 . 1 1 140 140 SER C C 13 173.824 0.014 . 1 . 692 . . 140 SER C . 26984 1 680 . 1 1 140 140 SER CA C 13 58.973 0.147 . 1 . 541 . . 140 SER CA . 26984 1 681 . 1 1 140 140 SER CB C 13 64.792 0.045 . 1 . 542 . . 140 SER CB . 26984 1 682 . 1 1 140 140 SER N N 15 112.114 0.02 . 1 . 539 . . 140 SER N . 26984 1 683 . 1 1 141 141 ALA H H 1 8.080 0.002 . 1 . 544 . . 141 ALA H . 26984 1 684 . 1 1 141 141 ALA C C 13 176.736 0.014 . 1 . 693 . . 141 ALA C . 26984 1 685 . 1 1 141 141 ALA CA C 13 50.504 0.084 . 1 . 545 . . 141 ALA CA . 26984 1 686 . 1 1 141 141 ALA CB C 13 22.633 0.013 . 1 . 546 . . 141 ALA CB . 26984 1 687 . 1 1 141 141 ALA N N 15 127.831 0.04 . 1 . 543 . . 141 ALA N . 26984 1 688 . 1 1 142 142 CYS H H 1 8.494 0.006 . 1 . 548 . . 142 CYS H . 26984 1 689 . 1 1 142 142 CYS C C 13 174.493 0.029 . 1 . 694 . . 142 CYS C . 26984 1 690 . 1 1 142 142 CYS CA C 13 59.380 0.13 . 1 . 549 . . 142 CYS CA . 26984 1 691 . 1 1 142 142 CYS CB C 13 28.023 0.011 . 1 . 550 . . 142 CYS CB . 26984 1 692 . 1 1 142 142 CYS N N 15 119.082 0.026 . 1 . 547 . . 142 CYS N . 26984 1 693 . 1 1 143 143 GLY H H 1 8.331 0.007 . 1 . 552 . . 143 GLY H . 26984 1 694 . 1 1 143 143 GLY C C 13 172.783 0.011 . 1 . 695 . . 143 GLY C . 26984 1 695 . 1 1 143 143 GLY CA C 13 45.284 0.054 . 1 . 553 . . 143 GLY CA . 26984 1 696 . 1 1 143 143 GLY N N 15 111.081 0.057 . 1 . 551 . . 143 GLY N . 26984 1 697 . 1 1 144 144 ASN H H 1 7.713 0.003 . 1 . 555 . . 144 ASN H . 26984 1 698 . 1 1 144 144 ASN C C 13 179.423 . . 1 . 696 . . 144 ASN C . 26984 1 699 . 1 1 144 144 ASN CA C 13 54.693 . . 1 . 556 . . 144 ASN CA . 26984 1 700 . 1 1 144 144 ASN CB C 13 40.344 . . 1 . 557 . . 144 ASN CB . 26984 1 701 . 1 1 144 144 ASN N N 15 123.995 0.046 . 1 . 554 . . 144 ASN N . 26984 1 stop_ save_