data_52867 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52867 _Entry.Title ; Eps15 IDR 761-896 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-01-17 _Entry.Accession_date 2025-01-17 _Entry.Last_release_date 2025-01-24 _Entry.Original_release_date 2025-01-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Andromachi Papagiannoula . . . 0000-0002-0767-5129 52867 2 Ida Vedel . M. . 0000-0002-3465-4796 52867 3 Kathrin Motzny . . . . 52867 4 Maud Tengo . . . . 52867 5 Arbesa Saiti . . . . 52867 6 Sigrid Milles . . . 0000-0001-9362-9606 52867 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52867 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 52867 '15N chemical shifts' 108 52867 '1H chemical shifts' 109 52867 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 . . 2025-08-18 . original BMRB . 52867 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52863 'Chemical Shift Assignments of Eps15 IDR 648-780' 52867 BMRB 52864 'Chemical Shift Assignments of Eps15 IDR 569-671' 52867 BMRB 52866 'Chemical Shift Assignments of Eps15 IDR 481-581' 52867 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52867 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1038/s41467-025-63090-1 _Citation.Full_citation . _Citation.Title ; Promiscuous and multivalent interactions between Eps15 and partner protein Dab2 generate a complex interaction network ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andromachi Papagiannoula . . . . 52867 1 2 Ida Vedel . M. . . 52867 1 3 Kathrin Motzny . . . . 52867 1 4 Maud Tengo . . . . 52867 1 5 Arbesa Saiti . . . . 52867 1 6 Sigrid Milles . . . . 52867 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Eps15, clathrin mediated endocytosis, intrinsically disordered proteins' 52867 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52867 _Assembly.ID 1 _Assembly.Name 'Eps15 IDR 761-896' _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Eps15 IDR 761-896' 1 $entity_1 . . yes native no no . . . 52867 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52867 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSVKSEDEPPALPPKIGTPT RPCPLPPGKRSINKLDSPDP FKLNDPFQPFPGNDSPKEKD PEIFCDPFTSATTTTNKEAD PSNFANFSAYPSEEDMIEWA KRESEREEEQRLARLNQQEQ EDLELAIALSKSEISEARLE HHHHHHHH ; _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 148 _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 . _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 1 760 MET . 52867 1 2 761 SER . 52867 1 3 762 VAL . 52867 1 4 763 LYS . 52867 1 5 764 SER . 52867 1 6 765 GLU . 52867 1 7 766 ASP . 52867 1 8 767 GLU . 52867 1 9 768 PRO . 52867 1 10 769 PRO . 52867 1 11 770 ALA . 52867 1 12 771 LEU . 52867 1 13 772 PRO . 52867 1 14 773 PRO . 52867 1 15 774 LYS . 52867 1 16 775 ILE . 52867 1 17 776 GLY . 52867 1 18 777 THR . 52867 1 19 778 PRO . 52867 1 20 779 THR . 52867 1 21 780 ARG . 52867 1 22 781 PRO . 52867 1 23 782 CYS . 52867 1 24 783 PRO . 52867 1 25 784 LEU . 52867 1 26 785 PRO . 52867 1 27 786 PRO . 52867 1 28 787 GLY . 52867 1 29 788 LYS . 52867 1 30 789 ARG . 52867 1 31 790 SER . 52867 1 32 791 ILE . 52867 1 33 792 ASN . 52867 1 34 793 LYS . 52867 1 35 794 LEU . 52867 1 36 795 ASP . 52867 1 37 796 SER . 52867 1 38 797 PRO . 52867 1 39 798 ASP . 52867 1 40 799 PRO . 52867 1 41 800 PHE . 52867 1 42 801 LYS . 52867 1 43 802 LEU . 52867 1 44 803 ASN . 52867 1 45 804 ASP . 52867 1 46 805 PRO . 52867 1 47 806 PHE . 52867 1 48 807 GLN . 52867 1 49 808 PRO . 52867 1 50 809 PHE . 52867 1 51 810 PRO . 52867 1 52 811 GLY . 52867 1 53 812 ASN . 52867 1 54 813 ASP . 52867 1 55 814 SER . 52867 1 56 815 PRO . 52867 1 57 816 LYS . 52867 1 58 817 GLU . 52867 1 59 818 LYS . 52867 1 60 819 ASP . 52867 1 61 820 PRO . 52867 1 62 821 GLU . 52867 1 63 822 ILE . 52867 1 64 823 PHE . 52867 1 65 824 CYS . 52867 1 66 825 ASP . 52867 1 67 826 PRO . 52867 1 68 827 PHE . 52867 1 69 828 THR . 52867 1 70 829 SER . 52867 1 71 830 ALA . 52867 1 72 831 THR . 52867 1 73 832 THR . 52867 1 74 833 THR . 52867 1 75 834 THR . 52867 1 76 835 ASN . 52867 1 77 836 LYS . 52867 1 78 837 GLU . 52867 1 79 838 ALA . 52867 1 80 839 ASP . 52867 1 81 840 PRO . 52867 1 82 841 SER . 52867 1 83 842 ASN . 52867 1 84 843 PHE . 52867 1 85 844 ALA . 52867 1 86 845 ASN . 52867 1 87 846 PHE . 52867 1 88 847 SER . 52867 1 89 848 ALA . 52867 1 90 849 TYR . 52867 1 91 850 PRO . 52867 1 92 851 SER . 52867 1 93 852 GLU . 52867 1 94 853 GLU . 52867 1 95 854 ASP . 52867 1 96 855 MET . 52867 1 97 856 ILE . 52867 1 98 857 GLU . 52867 1 99 858 TRP . 52867 1 100 859 ALA . 52867 1 101 860 LYS . 52867 1 102 861 ARG . 52867 1 103 862 GLU . 52867 1 104 863 SER . 52867 1 105 864 GLU . 52867 1 106 865 ARG . 52867 1 107 866 GLU . 52867 1 108 867 GLU . 52867 1 109 868 GLU . 52867 1 110 869 GLN . 52867 1 111 870 ARG . 52867 1 112 871 LEU . 52867 1 113 872 ALA . 52867 1 114 873 ARG . 52867 1 115 874 LEU . 52867 1 116 875 ASN . 52867 1 117 876 GLN . 52867 1 118 877 GLN . 52867 1 119 878 GLU . 52867 1 120 879 GLN . 52867 1 121 880 GLU . 52867 1 122 881 ASP . 52867 1 123 882 LEU . 52867 1 124 883 GLU . 52867 1 125 884 LEU . 52867 1 126 885 ALA . 52867 1 127 886 ILE . 52867 1 128 887 ALA . 52867 1 129 888 LEU . 52867 1 130 889 SER . 52867 1 131 890 LYS . 52867 1 132 891 SER . 52867 1 133 892 GLU . 52867 1 134 893 ILE . 52867 1 135 894 SER . 52867 1 136 895 GLU . 52867 1 137 896 ALA . 52867 1 138 897 ARG . 52867 1 139 898 LEU . 52867 1 140 899 GLU . 52867 1 141 900 HIS . 52867 1 142 901 HIS . 52867 1 143 902 HIS . 52867 1 144 903 HIS . 52867 1 145 904 HIS . 52867 1 146 905 HIS . 52867 1 147 906 HIS . 52867 1 148 907 HIS . 52867 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 52867 1 . SER 2 2 52867 1 . VAL 3 3 52867 1 . LYS 4 4 52867 1 . SER 5 5 52867 1 . GLU 6 6 52867 1 . ASP 7 7 52867 1 . GLU 8 8 52867 1 . PRO 9 9 52867 1 . PRO 10 10 52867 1 . ALA 11 11 52867 1 . LEU 12 12 52867 1 . PRO 13 13 52867 1 . PRO 14 14 52867 1 . LYS 15 15 52867 1 . ILE 16 16 52867 1 . GLY 17 17 52867 1 . THR 18 18 52867 1 . PRO 19 19 52867 1 . THR 20 20 52867 1 . ARG 21 21 52867 1 . PRO 22 22 52867 1 . CYS 23 23 52867 1 . PRO 24 24 52867 1 . LEU 25 25 52867 1 . PRO 26 26 52867 1 . PRO 27 27 52867 1 . GLY 28 28 52867 1 . LYS 29 29 52867 1 . ARG 30 30 52867 1 . SER 31 31 52867 1 . ILE 32 32 52867 1 . ASN 33 33 52867 1 . LYS 34 34 52867 1 . LEU 35 35 52867 1 . ASP 36 36 52867 1 . SER 37 37 52867 1 . PRO 38 38 52867 1 . ASP 39 39 52867 1 . PRO 40 40 52867 1 . PHE 41 41 52867 1 . LYS 42 42 52867 1 . LEU 43 43 52867 1 . ASN 44 44 52867 1 . ASP 45 45 52867 1 . PRO 46 46 52867 1 . PHE 47 47 52867 1 . GLN 48 48 52867 1 . PRO 49 49 52867 1 . PHE 50 50 52867 1 . PRO 51 51 52867 1 . GLY 52 52 52867 1 . ASN 53 53 52867 1 . ASP 54 54 52867 1 . SER 55 55 52867 1 . PRO 56 56 52867 1 . LYS 57 57 52867 1 . GLU 58 58 52867 1 . LYS 59 59 52867 1 . ASP 60 60 52867 1 . PRO 61 61 52867 1 . GLU 62 62 52867 1 . ILE 63 63 52867 1 . PHE 64 64 52867 1 . CYS 65 65 52867 1 . ASP 66 66 52867 1 . PRO 67 67 52867 1 . PHE 68 68 52867 1 . THR 69 69 52867 1 . SER 70 70 52867 1 . ALA 71 71 52867 1 . THR 72 72 52867 1 . THR 73 73 52867 1 . THR 74 74 52867 1 . THR 75 75 52867 1 . ASN 76 76 52867 1 . LYS 77 77 52867 1 . GLU 78 78 52867 1 . ALA 79 79 52867 1 . ASP 80 80 52867 1 . PRO 81 81 52867 1 . SER 82 82 52867 1 . ASN 83 83 52867 1 . PHE 84 84 52867 1 . ALA 85 85 52867 1 . ASN 86 86 52867 1 . PHE 87 87 52867 1 . SER 88 88 52867 1 . ALA 89 89 52867 1 . TYR 90 90 52867 1 . PRO 91 91 52867 1 . SER 92 92 52867 1 . GLU 93 93 52867 1 . GLU 94 94 52867 1 . ASP 95 95 52867 1 . MET 96 96 52867 1 . ILE 97 97 52867 1 . GLU 98 98 52867 1 . TRP 99 99 52867 1 . ALA 100 100 52867 1 . LYS 101 101 52867 1 . ARG 102 102 52867 1 . GLU 103 103 52867 1 . SER 104 104 52867 1 . GLU 105 105 52867 1 . ARG 106 106 52867 1 . GLU 107 107 52867 1 . GLU 108 108 52867 1 . GLU 109 109 52867 1 . GLN 110 110 52867 1 . ARG 111 111 52867 1 . LEU 112 112 52867 1 . ALA 113 113 52867 1 . ARG 114 114 52867 1 . LEU 115 115 52867 1 . ASN 116 116 52867 1 . GLN 117 117 52867 1 . GLN 118 118 52867 1 . GLU 119 119 52867 1 . GLN 120 120 52867 1 . GLU 121 121 52867 1 . ASP 122 122 52867 1 . LEU 123 123 52867 1 . GLU 124 124 52867 1 . LEU 125 125 52867 1 . ALA 126 126 52867 1 . ILE 127 127 52867 1 . ALA 128 128 52867 1 . LEU 129 129 52867 1 . SER 130 130 52867 1 . LYS 131 131 52867 1 . SER 132 132 52867 1 . GLU 133 133 52867 1 . ILE 134 134 52867 1 . SER 135 135 52867 1 . GLU 136 136 52867 1 . ALA 137 137 52867 1 . ARG 138 138 52867 1 . LEU 139 139 52867 1 . GLU 140 140 52867 1 . HIS 141 141 52867 1 . HIS 142 142 52867 1 . HIS 143 143 52867 1 . HIS 144 144 52867 1 . HIS 145 145 52867 1 . HIS 146 146 52867 1 . HIS 147 147 52867 1 . HIS 148 148 52867 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52867 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52867 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52867 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pet41 . . . 52867 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52867 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Eps15 IDR 761-896' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 200 800 uM . . . . 52867 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52867 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52867 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52867 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 52867 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52867 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard buffer' _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' 211.6 . mM 52867 1 pH 6 . pH 52867 1 pressure 1 . atm 52867 1 temperature 298.2 . K 52867 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52867 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52867 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52867 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52867 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52867 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52867 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52867 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52867 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52867 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52867 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52867 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52867 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52867 1 6 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52867 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52867 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical Shift list Eps15 IDR 761-896' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 52867 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52867 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 52867 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52867 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Eps15 IDR 761-896' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52867 1 2 '3D HNCO' . . . 52867 1 3 '3D HN(CA)CO' . . . 52867 1 4 '3D HNCA' . . . 52867 1 5 '3D HN(CO)CA' . . . 52867 1 6 '3D CBCA(CO)NH' . . . 52867 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 3 $software_3 . . 52867 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 VAL C C 13 176.008 . . 1 . . . . . 762 V CO . 52867 1 2 . 1 . 1 3 3 VAL CA C 13 62.378 . . 1 . . . . . 762 V CA . 52867 1 3 . 1 . 1 3 3 VAL CB C 13 33.037 . . 1 . . . . . 762 V CB . 52867 1 4 . 1 . 1 4 4 LYS H H 1 8.401 . . 1 . . . . . 763 K H . 52867 1 5 . 1 . 1 4 4 LYS C C 13 176.596 . . 1 . . . . . 763 K CO . 52867 1 6 . 1 . 1 4 4 LYS CA C 13 56.3385 . . 1 . . . . . 763 K CA . 52867 1 7 . 1 . 1 4 4 LYS CB C 13 33.165 . . 1 . . . . . 763 K CB . 52867 1 8 . 1 . 1 4 4 LYS N N 15 126.324 . . 1 . . . . . 763 K N . 52867 1 9 . 1 . 1 5 5 SER H H 1 8.375 . . 1 . . . . . 764 S H . 52867 1 10 . 1 . 1 5 5 SER C C 13 174.825 . . 1 . . . . . 764 S CO . 52867 1 11 . 1 . 1 5 5 SER CA C 13 58.6165 . . 1 . . . . . 764 S CA . 52867 1 12 . 1 . 1 5 5 SER CB C 13 63.883 . . 1 . . . . . 764 S CB . 52867 1 13 . 1 . 1 5 5 SER N N 15 119.115 . . 1 . . . . . 764 S N . 52867 1 14 . 1 . 1 6 6 GLU H H 1 8.501 . . 1 . . . . . 765 E H . 52867 1 15 . 1 . 1 6 6 GLU C C 13 176.1235 . . 1 . . . . . 765 E CO . 52867 1 16 . 1 . 1 6 6 GLU CA C 13 56.7445 . . 1 . . . . . 765 E CA . 52867 1 17 . 1 . 1 6 6 GLU CB C 13 30.065 . . 1 . . . . . 765 E CB . 52867 1 18 . 1 . 1 6 6 GLU N N 15 123.463 . . 1 . . . . . 765 E N . 52867 1 19 . 1 . 1 7 7 ASP H H 1 8.087 . . 1 . . . . . 766 D H . 52867 1 20 . 1 . 1 7 7 ASP C C 13 177.04 . . 1 . . . . . 766 D CO . 52867 1 21 . 1 . 1 7 7 ASP CA C 13 52.2985 . . 1 . . . . . 766 D CA . 52867 1 22 . 1 . 1 7 7 ASP N N 15 125.199 . . 1 . . . . . 766 D N . 52867 1 23 . 1 . 1 8 8 GLU H H 1 8.136 . . 1 . . . . . 767 E H . 52867 1 24 . 1 . 1 8 8 GLU C C 13 175.017 . . 1 . . . . . 767 E CO . 52867 1 25 . 1 . 1 8 8 GLU CA C 13 52.108 . . 1 . . . . . 767 E CA . 52867 1 26 . 1 . 1 8 8 GLU N N 15 121.968 . . 1 . . . . . 767 E N . 52867 1 27 . 1 . 1 10 10 PRO C C 13 176.478 . . 1 . . . . . 769 P CO . 52867 1 28 . 1 . 1 10 10 PRO CA C 13 62.726 . . 1 . . . . . 769 P CA . 52867 1 29 . 1 . 1 10 10 PRO CB C 13 32.07 . . 1 . . . . . 769 P CB . 52867 1 30 . 1 . 1 11 11 ALA H H 1 8.231 . . 1 . . . . . 770 A H . 52867 1 31 . 1 . 1 11 11 ALA C C 13 177.4475 . . 1 . . . . . 770 A CO . 52867 1 32 . 1 . 1 11 11 ALA CA C 13 52.137 . . 1 . . . . . 770 A CA . 52867 1 33 . 1 . 1 11 11 ALA N N 15 125.207 . . 1 . . . . . 770 A N . 52867 1 34 . 1 . 1 12 12 LEU H H 1 8.113 . . 1 . . . . . 771 L H . 52867 1 35 . 1 . 1 12 12 LEU C C 13 174.807 . . 1 . . . . . 771 L CO . 52867 1 36 . 1 . 1 12 12 LEU CA C 13 52.743 . . 1 . . . . . 771 L CA . 52867 1 37 . 1 . 1 12 12 LEU N N 15 123.871 . . 1 . . . . . 771 L N . 52867 1 38 . 1 . 1 14 14 PRO C C 13 176.897 . . 1 . . . . . 773 P CO . 52867 1 39 . 1 . 1 14 14 PRO CA C 13 63.043 . . 1 . . . . . 773 P CA . 52867 1 40 . 1 . 1 15 15 LYS H H 1 8.287 . . 1 . . . . . 774 K H . 52867 1 41 . 1 . 1 15 15 LYS C C 13 176.618 . . 1 . . . . . 774 K CO . 52867 1 42 . 1 . 1 15 15 LYS CA C 13 56.1525 . . 1 . . . . . 774 K CA . 52867 1 43 . 1 . 1 15 15 LYS N N 15 122.576 . . 1 . . . . . 774 K N . 52867 1 44 . 1 . 1 16 16 ILE H H 1 8.095 . . 1 . . . . . 775 I H . 52867 1 45 . 1 . 1 16 16 ILE C C 13 176.5935 . . 1 . . . . . 775 I CO . 52867 1 46 . 1 . 1 16 16 ILE CA C 13 61.109 . . 1 . . . . . 775 I CA . 52867 1 47 . 1 . 1 16 16 ILE CB C 13 38.906 . . 1 . . . . . 775 I CB . 52867 1 48 . 1 . 1 16 16 ILE N N 15 123.379 . . 1 . . . . . 775 I N . 52867 1 49 . 1 . 1 17 17 GLY H H 1 8.419 . . 1 . . . . . 776 G H . 52867 1 50 . 1 . 1 17 17 GLY C C 13 173.8215 . . 1 . . . . . 776 G CO . 52867 1 51 . 1 . 1 17 17 GLY CA C 13 45.094 . . 1 . . . . . 776 G CA . 52867 1 52 . 1 . 1 17 17 GLY N N 15 113.978 . . 1 . . . . . 776 G N . 52867 1 53 . 1 . 1 18 18 THR H H 1 7.969 . . 1 . . . . . 777 T H . 52867 1 54 . 1 . 1 18 18 THR C C 13 173.021 . . 1 . . . . . 777 T CO . 52867 1 55 . 1 . 1 18 18 THR CA C 13 59.826 . . 1 . . . . . 777 T CA . 52867 1 56 . 1 . 1 18 18 THR N N 15 117.241 . . 1 . . . . . 777 T N . 52867 1 57 . 1 . 1 19 19 PRO C C 13 177.108 . . 1 . . . . . 778 P CO . 52867 1 58 . 1 . 1 19 19 PRO CA C 13 63.359 . . 1 . . . . . 778 P CA . 52867 1 59 . 1 . 1 19 19 PRO CB C 13 32.307 . . 1 . . . . . 778 P CB . 52867 1 60 . 1 . 1 20 20 THR H H 1 8.168 . . 1 . . . . . 779 T H . 52867 1 61 . 1 . 1 20 20 THR C C 13 174.308 . . 1 . . . . . 779 T CO . 52867 1 62 . 1 . 1 20 20 THR CA C 13 62.0225 . . 1 . . . . . 779 T CA . 52867 1 63 . 1 . 1 20 20 THR CB C 13 70.032 . . 1 . . . . . 779 T CB . 52867 1 64 . 1 . 1 20 20 THR N N 15 115.712 . . 1 . . . . . 779 T N . 52867 1 65 . 1 . 1 21 21 ARG H H 1 8.205 . . 1 . . . . . 780 R H . 52867 1 66 . 1 . 1 21 21 ARG C C 13 173.973 . . 1 . . . . . 780 R CO . 52867 1 67 . 1 . 1 21 21 ARG CA C 13 53.873 . . 1 . . . . . 780 R CA . 52867 1 68 . 1 . 1 21 21 ARG N N 15 125.376 . . 1 . . . . . 780 R N . 52867 1 69 . 1 . 1 22 22 PRO C C 13 176.462 . . 1 . . . . . 781 P CO . 52867 1 70 . 1 . 1 22 22 PRO CA C 13 63.055 . . 1 . . . . . 781 P CA . 52867 1 71 . 1 . 1 22 22 PRO CB C 13 32.223 . . 1 . . . . . 781 P CB . 52867 1 72 . 1 . 1 23 23 CYS H H 1 8.36 . . 1 . . . . . 782 C H . 52867 1 73 . 1 . 1 23 23 CYS C C 13 172.747 . . 1 . . . . . 782 C CO . 52867 1 74 . 1 . 1 23 23 CYS CA C 13 56.453 . . 1 . . . . . 782 C CA . 52867 1 75 . 1 . 1 23 23 CYS N N 15 122.067 . . 1 . . . . . 782 C N . 52867 1 76 . 1 . 1 24 24 PRO C C 13 176.149 . . 1 . . . . . 783 P CO . 52867 1 77 . 1 . 1 24 24 PRO CA C 13 62.973 . . 1 . . . . . 783 P CA . 52867 1 78 . 1 . 1 24 24 PRO CB C 13 30.377 . . 1 . . . . . 783 P CB . 52867 1 79 . 1 . 1 25 25 LEU H H 1 8.163 . . 1 . . . . . 784 L H . 52867 1 80 . 1 . 1 25 25 LEU C C 13 175.881 . . 1 . . . . . 784 L CO . 52867 1 81 . 1 . 1 25 25 LEU CA C 13 54.247 . . 1 . . . . . 784 L CA . 52867 1 82 . 1 . 1 25 25 LEU N N 15 121.578 . . 1 . . . . . 784 L N . 52867 1 83 . 1 . 1 27 27 PRO C C 13 177.737 . . 1 . . . . . 786 P CO . 52867 1 84 . 1 . 1 27 27 PRO CA C 13 63.439 . . 1 . . . . . 786 P CA . 52867 1 85 . 1 . 1 27 27 PRO CB C 13 32.119 . . 1 . . . . . 786 P CB . 52867 1 86 . 1 . 1 28 28 GLY H H 1 8.355 . . 1 . . . . . 787 G H . 52867 1 87 . 1 . 1 28 28 GLY C C 13 174.1395 . . 1 . . . . . 787 G CO . 52867 1 88 . 1 . 1 28 28 GLY CA C 13 45.197 . . 1 . . . . . 787 G CA . 52867 1 89 . 1 . 1 28 28 GLY N N 15 109.634 . . 1 . . . . . 787 G N . 52867 1 90 . 1 . 1 29 29 LYS H H 1 8.025 . . 1 . . . . . 788 K H . 52867 1 91 . 1 . 1 29 29 LYS C C 13 176.5025 . . 1 . . . . . 788 K CO . 52867 1 92 . 1 . 1 29 29 LYS CA C 13 56.089 . . 1 . . . . . 788 K CA . 52867 1 93 . 1 . 1 29 29 LYS N N 15 121.452 . . 1 . . . . . 788 K N . 52867 1 94 . 1 . 1 30 30 ARG H H 1 8.234 . . 1 . . . . . 789 R H . 52867 1 95 . 1 . 1 30 30 ARG C C 13 176.295 . . 1 . . . . . 789 R CO . 52867 1 96 . 1 . 1 30 30 ARG CA C 13 56.1085 . . 1 . . . . . 789 R CA . 52867 1 97 . 1 . 1 30 30 ARG CB C 13 31.159 . . 1 . . . . . 789 R CB . 52867 1 98 . 1 . 1 30 30 ARG N N 15 122.861 . . 1 . . . . . 789 R N . 52867 1 99 . 1 . 1 31 31 SER H H 1 8.281 . . 1 . . . . . 790 S H . 52867 1 100 . 1 . 1 31 31 SER C C 13 174.462 . . 1 . . . . . 790 S CO . 52867 1 101 . 1 . 1 31 31 SER CA C 13 58.117 . . 1 . . . . . 790 S CA . 52867 1 102 . 1 . 1 31 31 SER N N 15 118.198 . . 1 . . . . . 790 S N . 52867 1 103 . 1 . 1 32 32 ILE H H 1 8.104 . . 1 . . . . . 791 I H . 52867 1 104 . 1 . 1 32 32 ILE C C 13 175.803 . . 1 . . . . . 791 I CO . 52867 1 105 . 1 . 1 32 32 ILE CA C 13 61.0385 . . 1 . . . . . 791 I CA . 52867 1 106 . 1 . 1 32 32 ILE CB C 13 38.908 . . 1 . . . . . 791 I CB . 52867 1 107 . 1 . 1 32 32 ILE N N 15 122.917 . . 1 . . . . . 791 I N . 52867 1 108 . 1 . 1 33 33 ASN H H 1 8.371 . . 1 . . . . . 792 N H . 52867 1 109 . 1 . 1 33 33 ASN C C 13 174.987 . . 1 . . . . . 792 N CO . 52867 1 110 . 1 . 1 33 33 ASN CA C 13 53.192 . . 1 . . . . . 792 N CA . 52867 1 111 . 1 . 1 33 33 ASN N N 15 123.339 . . 1 . . . . . 792 N N . 52867 1 112 . 1 . 1 34 34 LYS H H 1 8.242 . . 1 . . . . . 793 K H . 52867 1 113 . 1 . 1 34 34 LYS C C 13 176.3705 . . 1 . . . . . 793 K CO . 52867 1 114 . 1 . 1 34 34 LYS CA C 13 56.4735 . . 1 . . . . . 793 K CA . 52867 1 115 . 1 . 1 34 34 LYS CB C 13 32.909 . . 1 . . . . . 793 K CB . 52867 1 116 . 1 . 1 34 34 LYS N N 15 123.213 . . 1 . . . . . 793 K N . 52867 1 117 . 1 . 1 35 35 LEU H H 1 8.188 . . 1 . . . . . 794 L H . 52867 1 118 . 1 . 1 35 35 LEU C C 13 177.067 . . 1 . . . . . 794 L CO . 52867 1 119 . 1 . 1 35 35 LEU CA C 13 55.215 . . 1 . . . . . 794 L CA . 52867 1 120 . 1 . 1 35 35 LEU CB C 13 42.405 . . 1 . . . . . 794 L CB . 52867 1 121 . 1 . 1 35 35 LEU N N 15 123.615 . . 1 . . . . . 794 L N . 52867 1 122 . 1 . 1 36 36 ASP H H 1 8.151 . . 1 . . . . . 795 D H . 52867 1 123 . 1 . 1 36 36 ASP C C 13 175.007 . . 1 . . . . . 795 D CO . 52867 1 124 . 1 . 1 36 36 ASP N N 15 121.572 . . 1 . . . . . 795 D N . 52867 1 125 . 1 . 1 38 38 PRO C C 13 176.463 . . 1 . . . . . 797 P CO . 52867 1 126 . 1 . 1 38 38 PRO CA C 13 63.045 . . 1 . . . . . 797 P CA . 52867 1 127 . 1 . 1 38 38 PRO CB C 13 32.374 . . 1 . . . . . 797 P CB . 52867 1 128 . 1 . 1 39 39 ASP H H 1 8.155 . . 1 . . . . . 798 D H . 52867 1 129 . 1 . 1 39 39 ASP C C 13 174.787 . . 1 . . . . . 798 D CO . 52867 1 130 . 1 . 1 39 39 ASP CA C 13 52.958 . . 1 . . . . . 798 D CA . 52867 1 131 . 1 . 1 39 39 ASP N N 15 124.417 . . 1 . . . . . 798 D N . 52867 1 132 . 1 . 1 40 40 PRO C C 13 177.084 . . 1 . . . . . 799 P CO . 52867 1 133 . 1 . 1 40 40 PRO CA C 13 63.626 . . 1 . . . . . 799 P CA . 52867 1 134 . 1 . 1 40 40 PRO CB C 13 31.936 . . 1 . . . . . 799 P CB . 52867 1 135 . 1 . 1 41 41 PHE H H 1 8.167 . . 1 . . . . . 800 F H . 52867 1 136 . 1 . 1 41 41 PHE C C 13 175.772 . . 1 . . . . . 800 F CO . 52867 1 137 . 1 . 1 41 41 PHE CA C 13 57.88 . . 1 . . . . . 800 F CA . 52867 1 138 . 1 . 1 41 41 PHE CB C 13 38.854 . . 1 . . . . . 800 F CB . 52867 1 139 . 1 . 1 41 41 PHE N N 15 119.324 . . 1 . . . . . 800 F N . 52867 1 140 . 1 . 1 42 42 LYS H H 1 7.703 . . 1 . . . . . 801 K H . 52867 1 141 . 1 . 1 42 42 LYS C C 13 176.0315 . . 1 . . . . . 801 K CO . 52867 1 142 . 1 . 1 42 42 LYS CA C 13 56.2745 . . 1 . . . . . 801 K CA . 52867 1 143 . 1 . 1 42 42 LYS N N 15 122.57 . . 1 . . . . . 801 K N . 52867 1 144 . 1 . 1 43 43 LEU H H 1 8.075 . . 1 . . . . . 802 L H . 52867 1 145 . 1 . 1 43 43 LEU C C 13 177.107 . . 1 . . . . . 802 L CO . 52867 1 146 . 1 . 1 43 43 LEU CA C 13 55.313 . . 1 . . . . . 802 L CA . 52867 1 147 . 1 . 1 43 43 LEU CB C 13 42.586 . . 1 . . . . . 802 L CB . 52867 1 148 . 1 . 1 43 43 LEU N N 15 123.803 . . 1 . . . . . 802 L N . 52867 1 149 . 1 . 1 44 44 ASN H H 1 8.319 . . 1 . . . . . 803 N H . 52867 1 150 . 1 . 1 44 44 ASN C C 13 174.386 . . 1 . . . . . 803 N CO . 52867 1 151 . 1 . 1 44 44 ASN CA C 13 53.226 . . 1 . . . . . 803 N CA . 52867 1 152 . 1 . 1 44 44 ASN CB C 13 39.749 . . 1 . . . . . 803 N CB . 52867 1 153 . 1 . 1 44 44 ASN N N 15 119.916 . . 1 . . . . . 803 N N . 52867 1 154 . 1 . 1 45 45 ASP H H 1 8.075 . . 1 . . . . . 804 D H . 52867 1 155 . 1 . 1 45 45 ASP C C 13 174.493 . . 1 . . . . . 804 D CO . 52867 1 156 . 1 . 1 45 45 ASP CA C 13 52.311 . . 1 . . . . . 804 D CA . 52867 1 157 . 1 . 1 45 45 ASP N N 15 122.808 . . 1 . . . . . 804 D N . 52867 1 158 . 1 . 1 46 46 PRO C C 13 176.769 . . 1 . . . . . 805 P CO . 52867 1 159 . 1 . 1 46 46 PRO CA C 13 63.379 . . 1 . . . . . 805 P CA . 52867 1 160 . 1 . 1 46 46 PRO CB C 13 32.043 . . 1 . . . . . 805 P CB . 52867 1 161 . 1 . 1 47 47 PHE H H 1 8.203 . . 1 . . . . . 806 F H . 52867 1 162 . 1 . 1 47 47 PHE C C 13 175.356 . . 1 . . . . . 806 F CO . 52867 1 163 . 1 . 1 47 47 PHE CA C 13 57.7165 . . 1 . . . . . 806 F CA . 52867 1 164 . 1 . 1 47 47 PHE CB C 13 39.055 . . 1 . . . . . 806 F CB . 52867 1 165 . 1 . 1 47 47 PHE N N 15 120.142 . . 1 . . . . . 806 F N . 52867 1 166 . 1 . 1 48 48 GLN H H 1 7.721 . . 1 . . . . . 807 Q H . 52867 1 167 . 1 . 1 48 48 GLN C C 13 173.224 . . 1 . . . . . 807 Q CO . 52867 1 168 . 1 . 1 48 48 GLN CA C 13 53.146 . . 1 . . . . . 807 Q CA . 52867 1 169 . 1 . 1 48 48 GLN N N 15 123.63 . . 1 . . . . . 807 Q N . 52867 1 170 . 1 . 1 49 49 PRO C C 13 176.3 . . 1 . . . . . 808 P CO . 52867 1 171 . 1 . 1 49 49 PRO CA C 13 63.645 . . 1 . . . . . 808 P CA . 52867 1 172 . 1 . 1 50 50 PHE C C 13 176.354 . . 1 . . . . . 809 F CO . 52867 1 173 . 1 . 1 50 50 PHE CA C 13 58.101 . . 1 . . . . . 809 F CA . 52867 1 174 . 1 . 1 51 51 PRO C C 13 177.319 . . 1 . . . . . 810 P CO . 52867 1 175 . 1 . 1 51 51 PRO CA C 13 63.533 . . 1 . . . . . 810 P CA . 52867 1 176 . 1 . 1 51 51 PRO CB C 13 32.059 . . 1 . . . . . 810 P CB . 52867 1 177 . 1 . 1 52 52 GLY H H 1 7.948 . . 1 . . . . . 811 G H . 52867 1 178 . 1 . 1 52 52 GLY C C 13 174.023 . . 1 . . . . . 811 G CO . 52867 1 179 . 1 . 1 52 52 GLY CA C 13 45.2485 . . 1 . . . . . 811 G CA . 52867 1 180 . 1 . 1 52 52 GLY N N 15 109.57 . . 1 . . . . . 811 G N . 52867 1 181 . 1 . 1 53 53 ASN H H 1 8.239 . . 1 . . . . . 812 N H . 52867 1 182 . 1 . 1 53 53 ASN C C 13 174.9435 . . 1 . . . . . 812 N CO . 52867 1 183 . 1 . 1 53 53 ASN CA C 13 53.307 . . 1 . . . . . 812 N CA . 52867 1 184 . 1 . 1 53 53 ASN CB C 13 39.353 . . 1 . . . . . 812 N CB . 52867 1 185 . 1 . 1 53 53 ASN N N 15 119.52 . . 1 . . . . . 812 N N . 52867 1 186 . 1 . 1 54 54 ASP H H 1 8.312 . . 1 . . . . . 813 D H . 52867 1 187 . 1 . 1 54 54 ASP C C 13 175.869 . . 1 . . . . . 813 D CO . 52867 1 188 . 1 . 1 54 54 ASP CA C 13 54.248 . . 1 . . . . . 813 D CA . 52867 1 189 . 1 . 1 54 54 ASP N N 15 121.357 . . 1 . . . . . 813 D N . 52867 1 190 . 1 . 1 55 55 SER H H 1 7.973 . . 1 . . . . . 814 S H . 52867 1 191 . 1 . 1 55 55 SER C C 13 172.507 . . 1 . . . . . 814 S CO . 52867 1 192 . 1 . 1 55 55 SER CA C 13 56.202 . . 1 . . . . . 814 S CA . 52867 1 193 . 1 . 1 55 55 SER N N 15 117.364 . . 1 . . . . . 814 S N . 52867 1 194 . 1 . 1 56 56 PRO C C 13 177.048 . . 1 . . . . . 815 P CO . 52867 1 195 . 1 . 1 56 56 PRO CA C 13 62.608 . . 1 . . . . . 815 P CA . 52867 1 196 . 1 . 1 57 57 LYS H H 1 8.294 . . 1 . . . . . 816 K H . 52867 1 197 . 1 . 1 57 57 LYS C C 13 176.743 . . 1 . . . . . 816 K CO . 52867 1 198 . 1 . 1 57 57 LYS CA C 13 56.3165 . . 1 . . . . . 816 K CA . 52867 1 199 . 1 . 1 57 57 LYS CB C 13 32.987 . . 1 . . . . . 816 K CB . 52867 1 200 . 1 . 1 57 57 LYS N N 15 122.643 . . 1 . . . . . 816 K N . 52867 1 201 . 1 . 1 58 58 GLU H H 1 8.311 . . 1 . . . . . 817 E H . 52867 1 202 . 1 . 1 58 58 GLU C C 13 176.195 . . 1 . . . . . 817 E CO . 52867 1 203 . 1 . 1 58 58 GLU CA C 13 56.5185 . . 1 . . . . . 817 E CA . 52867 1 204 . 1 . 1 58 58 GLU N N 15 122.859 . . 1 . . . . . 817 E N . 52867 1 205 . 1 . 1 59 59 LYS H H 1 8.197 . . 1 . . . . . 818 K H . 52867 1 206 . 1 . 1 59 59 LYS C C 13 176.008 . . 1 . . . . . 818 K CO . 52867 1 207 . 1 . 1 59 59 LYS CA C 13 56.0065 . . 1 . . . . . 818 K CA . 52867 1 208 . 1 . 1 59 59 LYS CB C 13 33.575 . . 1 . . . . . 818 K CB . 52867 1 209 . 1 . 1 59 59 LYS N N 15 123.011 . . 1 . . . . . 818 K N . 52867 1 210 . 1 . 1 60 60 ASP H H 1 8.297 . . 1 . . . . . 819 D H . 52867 1 211 . 1 . 1 60 60 ASP C C 13 174.51 . . 1 . . . . . 819 D CO . 52867 1 212 . 1 . 1 60 60 ASP CA C 13 52.744 . . 1 . . . . . 819 D CA . 52867 1 213 . 1 . 1 60 60 ASP N N 15 124.484 . . 1 . . . . . 819 D N . 52867 1 214 . 1 . 1 61 61 PRO C C 13 176.978 . . 1 . . . . . 820 P CO . 52867 1 215 . 1 . 1 61 61 PRO CA C 13 63.291 . . 1 . . . . . 820 P CA . 52867 1 216 . 1 . 1 61 61 PRO CB C 13 32.205 . . 1 . . . . . 820 P CB . 52867 1 217 . 1 . 1 62 62 GLU H H 1 8.38 . . 1 . . . . . 821 E H . 52867 1 218 . 1 . 1 62 62 GLU C C 13 176.31 . . 1 . . . . . 821 E CO . 52867 1 219 . 1 . 1 62 62 GLU CA C 13 56.6925 . . 1 . . . . . 821 E CA . 52867 1 220 . 1 . 1 62 62 GLU CB C 13 30.252 . . 1 . . . . . 821 E CB . 52867 1 221 . 1 . 1 62 62 GLU N N 15 121.31 . . 1 . . . . . 821 E N . 52867 1 222 . 1 . 1 63 63 ILE H H 1 7.822 . . 1 . . . . . 822 I H . 52867 1 223 . 1 . 1 63 63 ILE C C 13 175.742 . . 1 . . . . . 822 I CO . 52867 1 224 . 1 . 1 63 63 ILE CA C 13 60.829 . . 1 . . . . . 822 I CA . 52867 1 225 . 1 . 1 63 63 ILE CB C 13 39.004 . . 1 . . . . . 822 I CB . 52867 1 226 . 1 . 1 63 63 ILE N N 15 121.757 . . 1 . . . . . 822 I N . 52867 1 227 . 1 . 1 64 64 PHE H H 1 8.246 . . 1 . . . . . 823 F H . 52867 1 228 . 1 . 1 64 64 PHE C C 13 175.177 . . 1 . . . . . 823 F CO . 52867 1 229 . 1 . 1 64 64 PHE CA C 13 57.6945 . . 1 . . . . . 823 F CA . 52867 1 230 . 1 . 1 64 64 PHE CB C 13 40.588 . . 1 . . . . . 823 F CB . 52867 1 231 . 1 . 1 64 64 PHE N N 15 125.449 . . 1 . . . . . 823 F N . 52867 1 232 . 1 . 1 65 65 CYS H H 1 8.049 . . 1 . . . . . 824 C H . 52867 1 233 . 1 . 1 65 65 CYS C C 13 173.2925 . . 1 . . . . . 824 C CO . 52867 1 234 . 1 . 1 65 65 CYS CA C 13 57.736 . . 1 . . . . . 824 C CA . 52867 1 235 . 1 . 1 65 65 CYS CB C 13 28.412 . . 1 . . . . . 824 C CB . 52867 1 236 . 1 . 1 65 65 CYS N N 15 122.88 . . 1 . . . . . 824 C N . 52867 1 237 . 1 . 1 66 66 ASP H H 1 8.257 . . 1 . . . . . 825 D H . 52867 1 238 . 1 . 1 66 66 ASP C C 13 175.026 . . 1 . . . . . 825 D CO . 52867 1 239 . 1 . 1 66 66 ASP CA C 13 52.355 . . 1 . . . . . 825 D CA . 52867 1 240 . 1 . 1 66 66 ASP N N 15 125.751 . . 1 . . . . . 825 D N . 52867 1 241 . 1 . 1 67 67 PRO C C 13 177.109 . . 1 . . . . . 826 P CO . 52867 1 242 . 1 . 1 67 67 PRO CA C 13 63.584 . . 1 . . . . . 826 P CA . 52867 1 243 . 1 . 1 67 67 PRO CB C 13 32.538 . . 1 . . . . . 826 P CB . 52867 1 244 . 1 . 1 68 68 PHE H H 1 8.228 . . 1 . . . . . 827 F H . 52867 1 245 . 1 . 1 68 68 PHE C C 13 176.3845 . . 1 . . . . . 827 F CO . 52867 1 246 . 1 . 1 68 68 PHE CA C 13 58.256 . . 1 . . . . . 827 F CA . 52867 1 247 . 1 . 1 68 68 PHE CB C 13 39.136 . . 1 . . . . . 827 F CB . 52867 1 248 . 1 . 1 68 68 PHE N N 15 119.591 . . 1 . . . . . 827 F N . 52867 1 249 . 1 . 1 69 69 THR H H 1 7.758 . . 1 . . . . . 828 T H . 52867 1 250 . 1 . 1 69 69 THR C C 13 174.4945 . . 1 . . . . . 828 T CO . 52867 1 251 . 1 . 1 69 69 THR CA C 13 62.0875 . . 1 . . . . . 828 T CA . 52867 1 252 . 1 . 1 69 69 THR CB C 13 70.062 . . 1 . . . . . 828 T CB . 52867 1 253 . 1 . 1 69 69 THR N N 15 115.495 . . 1 . . . . . 828 T N . 52867 1 254 . 1 . 1 70 70 SER H H 1 8.114 . . 1 . . . . . 829 S H . 52867 1 255 . 1 . 1 70 70 SER C C 13 174.3385 . . 1 . . . . . 829 S CO . 52867 1 256 . 1 . 1 70 70 SER CA C 13 58.4735 . . 1 . . . . . 829 S CA . 52867 1 257 . 1 . 1 70 70 SER CB C 13 63.962 . . 1 . . . . . 829 S CB . 52867 1 258 . 1 . 1 70 70 SER N N 15 118.856 . . 1 . . . . . 829 S N . 52867 1 259 . 1 . 1 71 71 ALA H H 1 8.219 . . 1 . . . . . 830 A H . 52867 1 260 . 1 . 1 71 71 ALA C C 13 177.9935 . . 1 . . . . . 830 A CO . 52867 1 261 . 1 . 1 71 71 ALA CA C 13 52.786 . . 1 . . . . . 830 A CA . 52867 1 262 . 1 . 1 71 71 ALA CB C 13 19.464 . . 1 . . . . . 830 A CB . 52867 1 263 . 1 . 1 71 71 ALA N N 15 126.66 . . 1 . . . . . 830 A N . 52867 1 264 . 1 . 1 72 72 THR H H 1 8.057 . . 1 . . . . . 831 T H . 52867 1 265 . 1 . 1 72 72 THR C C 13 174.8745 . . 1 . . . . . 831 T CO . 52867 1 266 . 1 . 1 72 72 THR CA C 13 61.8515 . . 1 . . . . . 831 T CA . 52867 1 267 . 1 . 1 72 72 THR CB C 13 70.029 . . 1 . . . . . 831 T CB . 52867 1 268 . 1 . 1 72 72 THR N N 15 113.736 . . 1 . . . . . 831 T N . 52867 1 269 . 1 . 1 73 73 THR H H 1 8.057 . . 1 . . . . . 832 T H . 52867 1 270 . 1 . 1 73 73 THR C C 13 174.723 . . 1 . . . . . 832 T CO . 52867 1 271 . 1 . 1 73 73 THR CA C 13 61.802 . . 1 . . . . . 832 T CA . 52867 1 272 . 1 . 1 73 73 THR CB C 13 70.089 . . 1 . . . . . 832 T CB . 52867 1 273 . 1 . 1 73 73 THR N N 15 117.116 . . 1 . . . . . 832 T N . 52867 1 274 . 1 . 1 74 74 THR H H 1 8.138 . . 1 . . . . . 833 T H . 52867 1 275 . 1 . 1 74 74 THR C C 13 174.6725 . . 1 . . . . . 833 T CO . 52867 1 276 . 1 . 1 74 74 THR CA C 13 61.7775 . . 1 . . . . . 833 T CA . 52867 1 277 . 1 . 1 74 74 THR CB C 13 70.05 . . 1 . . . . . 833 T CB . 52867 1 278 . 1 . 1 74 74 THR N N 15 117.259 . . 1 . . . . . 833 T N . 52867 1 279 . 1 . 1 75 75 THR H H 1 8.101 . . 1 . . . . . 834 T H . 52867 1 280 . 1 . 1 75 75 THR C C 13 174.217 . . 1 . . . . . 834 T CO . 52867 1 281 . 1 . 1 75 75 THR CA C 13 61.844 . . 1 . . . . . 834 T CA . 52867 1 282 . 1 . 1 75 75 THR CB C 13 70.05 . . 1 . . . . . 834 T CB . 52867 1 283 . 1 . 1 75 75 THR N N 15 117.085 . . 1 . . . . . 834 T N . 52867 1 284 . 1 . 1 76 76 ASN H H 1 8.375 . . 1 . . . . . 835 N H . 52867 1 285 . 1 . 1 76 76 ASN C C 13 175.2185 . . 1 . . . . . 835 N CO . 52867 1 286 . 1 . 1 76 76 ASN CA C 13 53.3175 . . 1 . . . . . 835 N CA . 52867 1 287 . 1 . 1 76 76 ASN CB C 13 38.884 . . 1 . . . . . 835 N CB . 52867 1 288 . 1 . 1 76 76 ASN N N 15 122.278 . . 1 . . . . . 835 N N . 52867 1 289 . 1 . 1 77 77 LYS H H 1 8.267 . . 1 . . . . . 836 K H . 52867 1 290 . 1 . 1 77 77 LYS C C 13 176.8455 . . 1 . . . . . 836 K CO . 52867 1 291 . 1 . 1 77 77 LYS CA C 13 56.774 . . 1 . . . . . 836 K CA . 52867 1 292 . 1 . 1 77 77 LYS CB C 13 30.023 . . 1 . . . . . 836 K CB . 52867 1 293 . 1 . 1 77 77 LYS N N 15 123.161 . . 1 . . . . . 836 K N . 52867 1 294 . 1 . 1 78 78 GLU H H 1 8.165 . . 1 . . . . . 837 E H . 52867 1 295 . 1 . 1 78 78 GLU C C 13 176.913 . . 1 . . . . . 837 E CO . 52867 1 296 . 1 . 1 78 78 GLU CA C 13 57.121 . . 1 . . . . . 837 E CA . 52867 1 297 . 1 . 1 78 78 GLU N N 15 121.144 . . 1 . . . . . 837 E N . 52867 1 298 . 1 . 1 81 81 PRO C C 13 177.549 . . 1 . . . . . 840 P CO . 52867 1 299 . 1 . 1 81 81 PRO CA C 13 63.793 . . 1 . . . . . 840 P CA . 52867 1 300 . 1 . 1 81 81 PRO CB C 13 32.121 . . 1 . . . . . 840 P CB . 52867 1 301 . 1 . 1 82 82 SER H H 1 8.373 . . 1 . . . . . 841 S H . 52867 1 302 . 1 . 1 82 82 SER C C 13 174.614 . . 1 . . . . . 841 S CO . 52867 1 303 . 1 . 1 82 82 SER CA C 13 59.3445 . . 1 . . . . . 841 S CA . 52867 1 304 . 1 . 1 82 82 SER CB C 13 63.625 . . 1 . . . . . 841 S CB . 52867 1 305 . 1 . 1 82 82 SER N N 15 116.001 . . 1 . . . . . 841 S N . 52867 1 306 . 1 . 1 83 83 ASN H H 1 7.981 . . 1 . . . . . 842 N H . 52867 1 307 . 1 . 1 83 83 ASN C C 13 175.0605 . . 1 . . . . . 842 N CO . 52867 1 308 . 1 . 1 83 83 ASN CA C 13 53.3805 . . 1 . . . . . 842 N CA . 52867 1 309 . 1 . 1 83 83 ASN CB C 13 39.105 . . 1 . . . . . 842 N CB . 52867 1 310 . 1 . 1 83 83 ASN N N 15 120.726 . . 1 . . . . . 842 N N . 52867 1 311 . 1 . 1 84 84 PHE H H 1 7.898 . . 1 . . . . . 843 F H . 52867 1 312 . 1 . 1 84 84 PHE C C 13 175.6925 . . 1 . . . . . 843 F CO . 52867 1 313 . 1 . 1 84 84 PHE CA C 13 57.8625 . . 1 . . . . . 843 F CA . 52867 1 314 . 1 . 1 84 84 PHE CB C 13 39.444 . . 1 . . . . . 843 F CB . 52867 1 315 . 1 . 1 84 84 PHE N N 15 121.133 . . 1 . . . . . 843 F N . 52867 1 316 . 1 . 1 85 85 ALA H H 1 7.989 . . 1 . . . . . 844 A H . 52867 1 317 . 1 . 1 85 85 ALA C C 13 177.2165 . . 1 . . . . . 844 A CO . 52867 1 318 . 1 . 1 85 85 ALA CA C 13 52.826 . . 1 . . . . . 844 A CA . 52867 1 319 . 1 . 1 85 85 ALA CB C 13 19.141 . . 1 . . . . . 844 A CB . 52867 1 320 . 1 . 1 85 85 ALA N N 15 125.037 . . 1 . . . . . 844 A N . 52867 1 321 . 1 . 1 86 86 ASN H H 1 7.985 . . 1 . . . . . 845 N H . 52867 1 322 . 1 . 1 86 86 ASN C C 13 174.9635 . . 1 . . . . . 845 N CO . 52867 1 323 . 1 . 1 86 86 ASN CA C 13 53.1715 . . 1 . . . . . 845 N CA . 52867 1 324 . 1 . 1 86 86 ASN CB C 13 39.194 . . 1 . . . . . 845 N CB . 52867 1 325 . 1 . 1 86 86 ASN N N 15 117.591 . . 1 . . . . . 845 N N . 52867 1 326 . 1 . 1 87 87 PHE H H 1 7.924 . . 1 . . . . . 846 F H . 52867 1 327 . 1 . 1 87 87 PHE C C 13 175.73 . . 1 . . . . . 846 F CO . 52867 1 328 . 1 . 1 87 87 PHE CA C 13 57.951 . . 1 . . . . . 846 F CA . 52867 1 329 . 1 . 1 87 87 PHE CB C 13 39.646 . . 1 . . . . . 846 F CB . 52867 1 330 . 1 . 1 87 87 PHE N N 15 121.178 . . 1 . . . . . 846 F N . 52867 1 331 . 1 . 1 88 88 SER H H 1 8.017 . . 1 . . . . . 847 S H . 52867 1 332 . 1 . 1 88 88 SER C C 13 173.6375 . . 1 . . . . . 847 S CO . 52867 1 333 . 1 . 1 88 88 SER CA C 13 58.2655 . . 1 . . . . . 847 S CA . 52867 1 334 . 1 . 1 88 88 SER CB C 13 64.079 . . 1 . . . . . 847 S CB . 52867 1 335 . 1 . 1 88 88 SER N N 15 117.88 . . 1 . . . . . 847 S N . 52867 1 336 . 1 . 1 89 89 ALA H H 1 7.937 . . 1 . . . . . 848 A H . 52867 1 337 . 1 . 1 89 89 ALA C C 13 176.703 . . 1 . . . . . 848 A CO . 52867 1 338 . 1 . 1 89 89 ALA CA C 13 52.3925 . . 1 . . . . . 848 A CA . 52867 1 339 . 1 . 1 89 89 ALA N N 15 126.088 . . 1 . . . . . 848 A N . 52867 1 340 . 1 . 1 90 90 TYR H H 1 7.916 . . 1 . . . . . 849 Y H . 52867 1 341 . 1 . 1 90 90 TYR C C 13 175.694 . . 1 . . . . . 849 Y CO . 52867 1 342 . 1 . 1 90 90 TYR CA C 13 55.77 . . 1 . . . . . 849 Y CA . 52867 1 343 . 1 . 1 90 90 TYR N N 15 120.573 . . 1 . . . . . 849 Y N . 52867 1 344 . 1 . 1 91 91 PRO C C 13 176.659 . . 1 . . . . . 850 P CO . 52867 1 345 . 1 . 1 91 91 PRO CA C 13 63.074 . . 1 . . . . . 850 P CA . 52867 1 346 . 1 . 1 92 92 SER H H 1 8.511 . . 1 . . . . . 851 S H . 52867 1 347 . 1 . 1 92 92 SER C C 13 175.019 . . 1 . . . . . 851 S CO . 52867 1 348 . 1 . 1 92 92 SER CA C 13 57.6975 . . 1 . . . . . 851 S CA . 52867 1 349 . 1 . 1 92 92 SER CB C 13 64.819 . . 1 . . . . . 851 S CB . 52867 1 350 . 1 . 1 92 92 SER N N 15 117.509 . . 1 . . . . . 851 S N . 52867 1 351 . 1 . 1 93 93 GLU H H 1 8.68 . . 1 . . . . . 852 E H . 52867 1 352 . 1 . 1 93 93 GLU C C 13 177.979 . . 1 . . . . . 852 E CO . 52867 1 353 . 1 . 1 93 93 GLU CA C 13 58.6395 . . 1 . . . . . 852 E CA . 52867 1 354 . 1 . 1 93 93 GLU N N 15 123.441 . . 1 . . . . . 852 E N . 52867 1 355 . 1 . 1 94 94 GLU H H 1 8.437 . . 1 . . . . . 853 E H . 52867 1 356 . 1 . 1 94 94 GLU C C 13 177.8615 . . 1 . . . . . 853 E CO . 52867 1 357 . 1 . 1 94 94 GLU CA C 13 58.668 . . 1 . . . . . 853 E CA . 52867 1 358 . 1 . 1 94 94 GLU N N 15 120.057 . . 1 . . . . . 853 E N . 52867 1 359 . 1 . 1 95 95 ASP H H 1 7.964 . . 1 . . . . . 854 D H . 52867 1 360 . 1 . 1 95 95 ASP C C 13 177.7195 . . 1 . . . . . 854 D CO . 52867 1 361 . 1 . 1 95 95 ASP CA C 13 55.897 . . 1 . . . . . 854 D CA . 52867 1 362 . 1 . 1 95 95 ASP N N 15 121.41 . . 1 . . . . . 854 D N . 52867 1 363 . 1 . 1 96 96 MET H H 1 7.933 . . 1 . . . . . 855 M H . 52867 1 364 . 1 . 1 96 96 MET C C 13 178.5115 . . 1 . . . . . 855 M CO . 52867 1 365 . 1 . 1 96 96 MET CA C 13 57.503 . . 1 . . . . . 855 M CA . 52867 1 366 . 1 . 1 96 96 MET N N 15 120.779 . . 1 . . . . . 855 M N . 52867 1 367 . 1 . 1 97 97 ILE H H 1 7.996 . . 1 . . . . . 856 I H . 52867 1 368 . 1 . 1 97 97 ILE C C 13 178.2895 . . 1 . . . . . 856 I CO . 52867 1 369 . 1 . 1 97 97 ILE CA C 13 63.976 . . 1 . . . . . 856 I CA . 52867 1 370 . 1 . 1 97 97 ILE N N 15 122.87 . . 1 . . . . . 856 I N . 52867 1 371 . 1 . 1 98 98 GLU H H 1 7.974 . . 1 . . . . . 857 E H . 52867 1 372 . 1 . 1 98 98 GLU C C 13 178.459 . . 1 . . . . . 857 E CO . 52867 1 373 . 1 . 1 98 98 GLU CA C 13 58.641 . . 1 . . . . . 857 E CA . 52867 1 374 . 1 . 1 98 98 GLU N N 15 122.438 . . 1 . . . . . 857 E N . 52867 1 375 . 1 . 1 101 101 LYS H H 1 8.266 . . 1 . . . . . 860 K H . 52867 1 376 . 1 . 1 101 101 LYS C C 13 176.853 . . 1 . . . . . 860 K CO . 52867 1 377 . 1 . 1 101 101 LYS CA C 13 57.142 . . 1 . . . . . 860 K CA . 52867 1 378 . 1 . 1 101 101 LYS CB C 13 29.284 . . 1 . . . . . 860 K CB . 52867 1 379 . 1 . 1 101 101 LYS N N 15 123.355 . . 1 . . . . . 860 K N . 52867 1 380 . 1 . 1 102 102 ARG H H 1 8.276 . . 1 . . . . . 861 R H . 52867 1 381 . 1 . 1 102 102 ARG C C 13 177.703 . . 1 . . . . . 861 R CO . 52867 1 382 . 1 . 1 102 102 ARG CA C 13 57.7915 . . 1 . . . . . 861 R CA . 52867 1 383 . 1 . 1 102 102 ARG CB C 13 30.02 . . 1 . . . . . 861 R CB . 52867 1 384 . 1 . 1 102 102 ARG N N 15 121.393 . . 1 . . . . . 861 R N . 52867 1 385 . 1 . 1 103 103 GLU H H 1 8.148 . . 1 . . . . . 862 E H . 52867 1 386 . 1 . 1 103 103 GLU C C 13 178.4015 . . 1 . . . . . 862 E CO . 52867 1 387 . 1 . 1 103 103 GLU CA C 13 58.61 . . 1 . . . . . 862 E CA . 52867 1 388 . 1 . 1 103 103 GLU CB C 13 29.622 . . 1 . . . . . 862 E CB . 52867 1 389 . 1 . 1 103 103 GLU N N 15 120.886 . . 1 . . . . . 862 E N . 52867 1 390 . 1 . 1 104 104 SER H H 1 8.058 . . 1 . . . . . 863 S H . 52867 1 391 . 1 . 1 104 104 SER C C 13 176.78 . . 1 . . . . . 863 S CO . 52867 1 392 . 1 . 1 104 104 SER CA C 13 60.848 . . 1 . . . . . 863 S CA . 52867 1 393 . 1 . 1 104 104 SER N N 15 116.405 . . 1 . . . . . 863 S N . 52867 1 394 . 1 . 1 105 105 GLU H H 1 8.02 . . 1 . . . . . 864 E H . 52867 1 395 . 1 . 1 105 105 GLU C C 13 178.469 . . 1 . . . . . 864 E CO . 52867 1 396 . 1 . 1 105 105 GLU CA C 13 57.905 . . 1 . . . . . 864 E CA . 52867 1 397 . 1 . 1 105 105 GLU N N 15 123.354 . . 1 . . . . . 864 E N . 52867 1 398 . 1 . 1 106 106 ARG H H 1 8.136 . . 1 . . . . . 865 R H . 52867 1 399 . 1 . 1 106 106 ARG C C 13 178.908 . . 1 . . . . . 865 R CO . 52867 1 400 . 1 . 1 106 106 ARG CA C 13 58.9925 . . 1 . . . . . 865 R CA . 52867 1 401 . 1 . 1 106 106 ARG N N 15 120.935 . . 1 . . . . . 865 R N . 52867 1 402 . 1 . 1 107 107 GLU H H 1 8.024 . . 1 . . . . . 866 E H . 52867 1 403 . 1 . 1 107 107 GLU C C 13 178.103 . . 1 . . . . . 866 E CO . 52867 1 404 . 1 . 1 107 107 GLU CA C 13 58.741 . . 1 . . . . . 866 E CA . 52867 1 405 . 1 . 1 107 107 GLU CB C 13 29.885 . . 1 . . . . . 866 E CB . 52867 1 406 . 1 . 1 107 107 GLU N N 15 121.989 . . 1 . . . . . 866 E N . 52867 1 407 . 1 . 1 108 108 GLU H H 1 8.095 . . 1 . . . . . 867 E H . 52867 1 408 . 1 . 1 108 108 GLU C C 13 179.48 . . 1 . . . . . 867 E CO . 52867 1 409 . 1 . 1 108 108 GLU CA C 13 59.241 . . 1 . . . . . 867 E CA . 52867 1 410 . 1 . 1 108 108 GLU CB C 13 29.57 . . 1 . . . . . 867 E CB . 52867 1 411 . 1 . 1 108 108 GLU N N 15 120.604 . . 1 . . . . . 867 E N . 52867 1 412 . 1 . 1 109 109 GLU H H 1 8.041 . . 1 . . . . . 868 E H . 52867 1 413 . 1 . 1 109 109 GLU C C 13 178.597 . . 1 . . . . . 868 E CO . 52867 1 414 . 1 . 1 109 109 GLU CA C 13 58.0625 . . 1 . . . . . 868 E CA . 52867 1 415 . 1 . 1 109 109 GLU N N 15 119.581 . . 1 . . . . . 868 E N . 52867 1 416 . 1 . 1 110 110 GLN H H 1 8.137 . . 1 . . . . . 869 Q H . 52867 1 417 . 1 . 1 110 110 GLN N N 15 121.392 . . 1 . . . . . 869 Q N . 52867 1 418 . 1 . 1 111 111 ARG CA C 13 55.843 . . 1 . . . . . 870 R CA . 52867 1 419 . 1 . 1 111 111 ARG CB C 13 29.843 . . 1 . . . . . 870 R CB . 52867 1 420 . 1 . 1 112 112 LEU H H 1 8.159 . . 1 . . . . . 871 L H . 52867 1 421 . 1 . 1 112 112 LEU C C 13 178.983 . . 1 . . . . . 871 L CO . 52867 1 422 . 1 . 1 112 112 LEU CA C 13 57.1475 . . 1 . . . . . 871 L CA . 52867 1 423 . 1 . 1 112 112 LEU CB C 13 41.925 . . 1 . . . . . 871 L CB . 52867 1 424 . 1 . 1 112 112 LEU N N 15 126.165 . . 1 . . . . . 871 L N . 52867 1 425 . 1 . 1 113 113 ALA H H 1 7.872 . . 1 . . . . . 872 A H . 52867 1 426 . 1 . 1 113 113 ALA C C 13 179.6795 . . 1 . . . . . 872 A CO . 52867 1 427 . 1 . 1 113 113 ALA CA C 13 54.3775 . . 1 . . . . . 872 A CA . 52867 1 428 . 1 . 1 113 113 ALA CB C 13 18.468 . . 1 . . . . . 872 A CB . 52867 1 429 . 1 . 1 113 113 ALA N N 15 122.91 . . 1 . . . . . 872 A N . 52867 1 430 . 1 . 1 114 114 ARG H H 1 7.78 . . 1 . . . . . 873 R H . 52867 1 431 . 1 . 1 114 114 ARG C C 13 177.9185 . . 1 . . . . . 873 R CO . 52867 1 432 . 1 . 1 114 114 ARG CA C 13 57.736 . . 1 . . . . . 873 R CA . 52867 1 433 . 1 . 1 114 114 ARG N N 15 118.835 . . 1 . . . . . 873 R N . 52867 1 434 . 1 . 1 115 115 LEU H H 1 7.785 . . 1 . . . . . 874 L H . 52867 1 435 . 1 . 1 115 115 LEU C C 13 178.2655 . . 1 . . . . . 874 L CO . 52867 1 436 . 1 . 1 115 115 LEU CA C 13 56.6975 . . 1 . . . . . 874 L CA . 52867 1 437 . 1 . 1 115 115 LEU CB C 13 42.336 . . 1 . . . . . 874 L CB . 52867 1 438 . 1 . 1 115 115 LEU N N 15 121.97 . . 1 . . . . . 874 L N . 52867 1 439 . 1 . 1 116 116 ASN H H 1 8.206 . . 1 . . . . . 875 N H . 52867 1 440 . 1 . 1 116 116 ASN C C 13 176.1195 . . 1 . . . . . 875 N CO . 52867 1 441 . 1 . 1 116 116 ASN CA C 13 54.3025 . . 1 . . . . . 875 N CA . 52867 1 442 . 1 . 1 116 116 ASN CB C 13 38.753 . . 1 . . . . . 875 N CB . 52867 1 443 . 1 . 1 116 116 ASN N N 15 118.868 . . 1 . . . . . 875 N N . 52867 1 444 . 1 . 1 117 117 GLN H H 1 8.032 . . 1 . . . . . 876 Q H . 52867 1 445 . 1 . 1 117 117 GLN C C 13 176.825 . . 1 . . . . . 876 Q CO . 52867 1 446 . 1 . 1 117 117 GLN CA C 13 57.424 . . 1 . . . . . 876 Q CA . 52867 1 447 . 1 . 1 117 117 GLN N N 15 120.713 . . 1 . . . . . 876 Q N . 52867 1 448 . 1 . 1 119 119 GLU CA C 13 58.718 . . 1 . . . . . 878 E CA . 52867 1 449 . 1 . 1 120 120 GLN C C 13 176.933 . . 1 . . . . . 879 Q CO . 52867 1 450 . 1 . 1 120 120 GLN CA C 13 57.807 . . 1 . . . . . 879 Q CA . 52867 1 451 . 1 . 1 120 120 GLN CB C 13 32.272 . . 1 . . . . . 879 Q CB . 52867 1 452 . 1 . 1 121 121 GLU H H 1 8.285 . . 1 . . . . . 880 E H . 52867 1 453 . 1 . 1 121 121 GLU C C 13 177.4465 . . 1 . . . . . 880 E CO . 52867 1 454 . 1 . 1 121 121 GLU CA C 13 57.9725 . . 1 . . . . . 880 E CA . 52867 1 455 . 1 . 1 121 121 GLU CB C 13 29.983 . . 1 . . . . . 880 E CB . 52867 1 456 . 1 . 1 121 121 GLU N N 15 122.344 . . 1 . . . . . 880 E N . 52867 1 457 . 1 . 1 122 122 ASP H H 1 8.319 . . 1 . . . . . 881 D H . 52867 1 458 . 1 . 1 122 122 ASP C C 13 177.598 . . 1 . . . . . 881 D CO . 52867 1 459 . 1 . 1 122 122 ASP CA C 13 55.5335 . . 1 . . . . . 881 D CA . 52867 1 460 . 1 . 1 122 122 ASP N N 15 121.749 . . 1 . . . . . 881 D N . 52867 1 461 . 1 . 1 123 123 LEU H H 1 8.024 . . 1 . . . . . 882 L H . 52867 1 462 . 1 . 1 123 123 LEU C C 13 178.358 . . 1 . . . . . 882 L CO . 52867 1 463 . 1 . 1 123 123 LEU CA C 13 56.8045 . . 1 . . . . . 882 L CA . 52867 1 464 . 1 . 1 123 123 LEU CB C 13 42.343 . . 1 . . . . . 882 L CB . 52867 1 465 . 1 . 1 123 123 LEU N N 15 124.019 . . 1 . . . . . 882 L N . 52867 1 466 . 1 . 1 124 124 GLU H H 1 8.14 . . 1 . . . . . 883 E H . 52867 1 467 . 1 . 1 124 124 GLU C C 13 178.2945 . . 1 . . . . . 883 E CO . 52867 1 468 . 1 . 1 124 124 GLU CA C 13 58.2125 . . 1 . . . . . 883 E CA . 52867 1 469 . 1 . 1 124 124 GLU CB C 13 29.692 . . 1 . . . . . 883 E CB . 52867 1 470 . 1 . 1 124 124 GLU N N 15 120.315 . . 1 . . . . . 883 E N . 52867 1 471 . 1 . 1 125 125 LEU H H 1 7.922 . . 1 . . . . . 884 L H . 52867 1 472 . 1 . 1 125 125 LEU C C 13 177.8385 . . 1 . . . . . 884 L CO . 52867 1 473 . 1 . 1 125 125 LEU CA C 13 56.4935 . . 1 . . . . . 884 L CA . 52867 1 474 . 1 . 1 125 125 LEU CB C 13 42.084 . . 1 . . . . . 884 L CB . 52867 1 475 . 1 . 1 125 125 LEU N N 15 122.606 . . 1 . . . . . 884 L N . 52867 1 476 . 1 . 1 126 126 ALA H H 1 7.902 . . 1 . . . . . 885 A H . 52867 1 477 . 1 . 1 126 126 ALA C C 13 179.5725 . . 1 . . . . . 885 A CO . 52867 1 478 . 1 . 1 126 126 ALA CA C 13 53.9705 . . 1 . . . . . 885 A CA . 52867 1 479 . 1 . 1 126 126 ALA CB C 13 18.88 . . 1 . . . . . 885 A CB . 52867 1 480 . 1 . 1 126 126 ALA N N 15 123.433 . . 1 . . . . . 885 A N . 52867 1 481 . 1 . 1 127 127 ILE H H 1 7.924 . . 1 . . . . . 886 I H . 52867 1 482 . 1 . 1 127 127 ILE C C 13 177.448 . . 1 . . . . . 886 I CO . 52867 1 483 . 1 . 1 127 127 ILE CA C 13 62.7665 . . 1 . . . . . 886 I CA . 52867 1 484 . 1 . 1 127 127 ILE CB C 13 38.638 . . 1 . . . . . 886 I CB . 52867 1 485 . 1 . 1 127 127 ILE N N 15 119.933 . . 1 . . . . . 886 I N . 52867 1 486 . 1 . 1 128 128 ALA H H 1 7.993 . . 1 . . . . . 887 A H . 52867 1 487 . 1 . 1 128 128 ALA C C 13 179.104 . . 1 . . . . . 887 A CO . 52867 1 488 . 1 . 1 128 128 ALA CA C 13 53.842 . . 1 . . . . . 887 A CA . 52867 1 489 . 1 . 1 128 128 ALA CB C 13 18.848 . . 1 . . . . . 887 A CB . 52867 1 490 . 1 . 1 128 128 ALA N N 15 126.415 . . 1 . . . . . 887 A N . 52867 1 491 . 1 . 1 129 129 LEU H H 1 8.108 . . 1 . . . . . 888 L H . 52867 1 492 . 1 . 1 129 129 LEU C C 13 178.2845 . . 1 . . . . . 888 L CO . 52867 1 493 . 1 . 1 129 129 LEU CA C 13 56.0065 . . 1 . . . . . 888 L CA . 52867 1 494 . 1 . 1 129 129 LEU CB C 13 42.409 . . 1 . . . . . 888 L CB . 52867 1 495 . 1 . 1 129 129 LEU N N 15 120.629 . . 1 . . . . . 888 L N . 52867 1 496 . 1 . 1 130 130 SER H H 1 8.002 . . 1 . . . . . 889 S H . 52867 1 497 . 1 . 1 130 130 SER C C 13 175.044 . . 1 . . . . . 889 S CO . 52867 1 498 . 1 . 1 130 130 SER CA C 13 59.21 . . 1 . . . . . 889 S CA . 52867 1 499 . 1 . 1 130 130 SER CB C 13 63.656 . . 1 . . . . . 889 S CB . 52867 1 500 . 1 . 1 130 130 SER N N 15 116.539 . . 1 . . . . . 889 S N . 52867 1 501 . 1 . 1 131 131 LYS H H 1 8.032 . . 1 . . . . . 890 K H . 52867 1 502 . 1 . 1 131 131 LYS C C 13 177.053 . . 1 . . . . . 890 K CO . 52867 1 503 . 1 . 1 131 131 LYS CA C 13 57.0725 . . 1 . . . . . 890 K CA . 52867 1 504 . 1 . 1 131 131 LYS CB C 13 32.957 . . 1 . . . . . 890 K CB . 52867 1 505 . 1 . 1 131 131 LYS N N 15 123.042 . . 1 . . . . . 890 K N . 52867 1 506 . 1 . 1 132 132 SER H H 1 8.084 . . 1 . . . . . 891 S H . 52867 1 507 . 1 . 1 132 132 SER C C 13 174.7785 . . 1 . . . . . 891 S CO . 52867 1 508 . 1 . 1 132 132 SER CA C 13 58.981 . . 1 . . . . . 891 S CA . 52867 1 509 . 1 . 1 132 132 SER CB C 13 63.817 . . 1 . . . . . 891 S CB . 52867 1 510 . 1 . 1 132 132 SER N N 15 116.763 . . 1 . . . . . 891 S N . 52867 1 511 . 1 . 1 133 133 GLU H H 1 8.255 . . 1 . . . . . 892 E H . 52867 1 512 . 1 . 1 133 133 GLU C C 13 176.8785 . . 1 . . . . . 892 E CO . 52867 1 513 . 1 . 1 133 133 GLU CA C 13 57.0105 . . 1 . . . . . 892 E CA . 52867 1 514 . 1 . 1 133 133 GLU CB C 13 30.063 . . 1 . . . . . 892 E CB . 52867 1 515 . 1 . 1 133 133 GLU N N 15 123.34 . . 1 . . . . . 892 E N . 52867 1 516 . 1 . 1 134 134 ILE H H 1 7.988 . . 1 . . . . . 893 I H . 52867 1 517 . 1 . 1 134 134 ILE C C 13 176.5545 . . 1 . . . . . 893 I CO . 52867 1 518 . 1 . 1 134 134 ILE CA C 13 61.6305 . . 1 . . . . . 893 I CA . 52867 1 519 . 1 . 1 134 134 ILE CB C 13 38.657 . . 1 . . . . . 893 I CB . 52867 1 520 . 1 . 1 134 134 ILE N N 15 121.732 . . 1 . . . . . 893 I N . 52867 1 521 . 1 . 1 135 135 SER H H 1 8.164 . . 1 . . . . . 894 S H . 52867 1 522 . 1 . 1 135 135 SER C C 13 175.0475 . . 1 . . . . . 894 S CO . 52867 1 523 . 1 . 1 135 135 SER CA C 13 58.823 . . 1 . . . . . 894 S CA . 52867 1 524 . 1 . 1 135 135 SER CB C 13 63.878 . . 1 . . . . . 894 S CB . 52867 1 525 . 1 . 1 135 135 SER N N 15 119.938 . . 1 . . . . . 894 S N . 52867 1 526 . 1 . 1 136 136 GLU H H 1 8.315 . . 1 . . . . . 895 E H . 52867 1 527 . 1 . 1 136 136 GLU C C 13 176.6735 . . 1 . . . . . 895 E CO . 52867 1 528 . 1 . 1 136 136 GLU CA C 13 57.025 . . 1 . . . . . 895 E CA . 52867 1 529 . 1 . 1 136 136 GLU CB C 13 30.159 . . 1 . . . . . 895 E CB . 52867 1 530 . 1 . 1 136 136 GLU N N 15 123.702 . . 1 . . . . . 895 E N . 52867 1 531 . 1 . 1 137 137 ALA H H 1 8.092 . . 1 . . . . . 896 A H . 52867 1 532 . 1 . 1 137 137 ALA C C 13 178.111 . . 1 . . . . . 896 A CO . 52867 1 533 . 1 . 1 137 137 ALA CA C 13 53.132 . . 1 . . . . . 896 A CA . 52867 1 534 . 1 . 1 137 137 ALA CB C 13 18.97 . . 1 . . . . . 896 A CB . 52867 1 535 . 1 . 1 137 137 ALA N N 15 124.882 . . 1 . . . . . 896 A N . 52867 1 536 . 1 . 1 138 138 ARG H H 1 8.045 . . 1 . . . . . 897 R H . 52867 1 537 . 1 . 1 138 138 ARG C C 13 176.4955 . . 1 . . . . . 897 R CO . 52867 1 538 . 1 . 1 138 138 ARG CA C 13 56.3965 . . 1 . . . . . 897 R CA . 52867 1 539 . 1 . 1 138 138 ARG CB C 13 30.972 . . 1 . . . . . 897 R CB . 52867 1 540 . 1 . 1 138 138 ARG N N 15 119.988 . . 1 . . . . . 897 R N . 52867 1 541 . 1 . 1 139 139 LEU H H 1 7.979 . . 1 . . . . . 898 L H . 52867 1 542 . 1 . 1 139 139 LEU C C 13 177.3495 . . 1 . . . . . 898 L CO . 52867 1 543 . 1 . 1 139 139 LEU CA C 13 55.311 . . 1 . . . . . 898 L CA . 52867 1 544 . 1 . 1 139 139 LEU N N 15 123.187 . . 1 . . . . . 898 L N . 52867 1 545 . 1 . 1 140 140 GLU H H 1 8.155 . . 1 . . . . . 899 E H . 52867 1 546 . 1 . 1 140 140 GLU C C 13 176.2595 . . 1 . . . . . 899 E CO . 52867 1 547 . 1 . 1 140 140 GLU CA C 13 56.6995 . . 1 . . . . . 899 E CA . 52867 1 548 . 1 . 1 140 140 GLU N N 15 121.752 . . 1 . . . . . 899 E N . 52867 1 549 . 1 . 1 141 141 HIS H H 1 8.169 . . 1 . . . . . 900 H H . 52867 1 550 . 1 . 1 141 141 HIS C C 13 174.19 . . 1 . . . . . 900 H CO . 52867 1 551 . 1 . 1 141 141 HIS CA C 13 55.452 . . 1 . . . . . 900 H CA . 52867 1 stop_ save_