data_52907 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52907 _Entry.Title ; Chemical shift assignments of SET-9/26 PHD finger in the peptide (H3K4me3)-bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-02-13 _Entry.Accession_date 2025-02-13 _Entry.Last_release_date 2025-02-13 _Entry.Original_release_date 2025-02-13 _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 Biswaranjan Mohanty . B.M. . . 52907 2 Natasha Jones . N.J. . . 52907 3 Joel Mackay . J.M. . . 52907 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52907 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 52907 '15N chemical shifts' 86 52907 '1H chemical shifts' 559 52907 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 . . 2026-10-11 . original BMRB . 52907 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52906 'Chemical shift assignments for SET-9/26 PHD domain in isolation' 52907 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52907 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of SET-9/26 PHD finger in the peptide (H3K4me3)-bound state ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Biswaranjan Mohanty . . . . 52907 1 2 Natasha Jones . . . . 52907 1 3 Joel Mackay . . . . 52907 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52907 _Assembly.ID 1 _Assembly.Name 'SET-9/26 PHD finger in the peptide (H3K4me3)-bound state' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 'SET-9/26 PHD domain' 1 $entity_1 . . yes native no yes . . . 52907 1 2 H3K4me3 2 $entity_2 . . no native no yes . . . 52907 1 3 'Zn+2, 1' 3 $entity_ZN . . no native no yes . . . 52907 1 4 'Zn+2, 2' 3 $entity_ZN . . no native no yes . . . 52907 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 15 15 SG . 3 . 3 ZN 1 1 ZN . . . 789 CYS SG . . . . . . 52907 1 2 coordination single . 1 . 1 CYS 17 17 SG . 3 . 3 ZN 1 1 ZN . . . 791 CYS SG . . . . . . 52907 1 3 coordination single . 1 . 1 HIS 37 37 ND1 . 3 . 3 ZN 1 1 ZN . . . 811 HIS ND1 . . . . . . 52907 1 4 coordination single . 1 . 1 CYS 40 40 SG . 3 . 3 ZN 1 1 ZN . . . 814 CYS SG . . . . . . 52907 1 5 coordination single . 1 . 1 CYS 29 29 SG . 4 . 3 ZN 1 1 ZN . . . 803 CYS SG . . . . . . 52907 1 6 coordination single . 1 . 1 CYS 32 32 SG . 4 . 3 ZN 1 1 ZN . . . 806 CYS SG . . . . . . 52907 1 7 coordination single . 1 . 1 CYS 54 54 SG . 4 . 3 ZN 1 1 ZN . . . 828 CYS SG . . . . . . 52907 1 8 coordination single . 1 . 1 CYS 57 57 SG . 4 . 3 ZN 1 1 ZN . . . 831 CYS SG . . . . . . 52907 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transgenerational epigenetic inheritance' 52907 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52907 _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 ; GPLGSAAEESWTMRCHCGMD HGDGDTIECEGCKTWQHMAC MGLTLKSNTSKYKCEMCLPR RLPVSKAEAAREQERILNRL RAAARKQKRKSE ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transgenerational epigenetic inheritance' 52907 1 stop_ 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 1 775 GLY . 52907 1 2 776 PRO . 52907 1 3 777 LEU . 52907 1 4 778 GLY . 52907 1 5 779 SER . 52907 1 6 780 ALA . 52907 1 7 781 ALA . 52907 1 8 782 GLU . 52907 1 9 783 GLU . 52907 1 10 784 SER . 52907 1 11 785 TRP . 52907 1 12 786 THR . 52907 1 13 787 MET . 52907 1 14 788 ARG . 52907 1 15 789 CYS . 52907 1 16 790 HIS . 52907 1 17 791 CYS . 52907 1 18 792 GLY . 52907 1 19 793 MET . 52907 1 20 794 ASP . 52907 1 21 795 HIS . 52907 1 22 796 GLY . 52907 1 23 797 ASP . 52907 1 24 798 GLY . 52907 1 25 799 ASP . 52907 1 26 800 THR . 52907 1 27 801 ILE . 52907 1 28 802 GLU . 52907 1 29 803 CYS . 52907 1 30 804 GLU . 52907 1 31 805 GLY . 52907 1 32 806 CYS . 52907 1 33 807 LYS . 52907 1 34 808 THR . 52907 1 35 809 TRP . 52907 1 36 810 GLN . 52907 1 37 811 HIS . 52907 1 38 812 MET . 52907 1 39 813 ALA . 52907 1 40 814 CYS . 52907 1 41 815 MET . 52907 1 42 816 GLY . 52907 1 43 817 LEU . 52907 1 44 818 THR . 52907 1 45 819 LEU . 52907 1 46 820 LYS . 52907 1 47 821 SER . 52907 1 48 822 ASN . 52907 1 49 823 THR . 52907 1 50 824 SER . 52907 1 51 825 LYS . 52907 1 52 826 TYR . 52907 1 53 827 LYS . 52907 1 54 828 CYS . 52907 1 55 829 GLU . 52907 1 56 830 MET . 52907 1 57 831 CYS . 52907 1 58 832 LEU . 52907 1 59 833 PRO . 52907 1 60 834 ARG . 52907 1 61 835 ARG . 52907 1 62 836 LEU . 52907 1 63 837 PRO . 52907 1 64 838 VAL . 52907 1 65 839 SER . 52907 1 66 840 LYS . 52907 1 67 841 ALA . 52907 1 68 842 GLU . 52907 1 69 843 ALA . 52907 1 70 844 ALA . 52907 1 71 845 ARG . 52907 1 72 846 GLU . 52907 1 73 847 GLN . 52907 1 74 848 GLU . 52907 1 75 849 ARG . 52907 1 76 850 ILE . 52907 1 77 851 LEU . 52907 1 78 852 ASN . 52907 1 79 853 ARG . 52907 1 80 854 LEU . 52907 1 81 855 ARG . 52907 1 82 856 ALA . 52907 1 83 857 ALA . 52907 1 84 858 ALA . 52907 1 85 859 ARG . 52907 1 86 860 LYS . 52907 1 87 861 GLN . 52907 1 88 862 LYS . 52907 1 89 863 ARG . 52907 1 90 864 LYS . 52907 1 91 865 SER . 52907 1 92 866 GLU . 52907 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52907 1 . PRO 2 2 52907 1 . LEU 3 3 52907 1 . GLY 4 4 52907 1 . SER 5 5 52907 1 . ALA 6 6 52907 1 . ALA 7 7 52907 1 . GLU 8 8 52907 1 . GLU 9 9 52907 1 . SER 10 10 52907 1 . TRP 11 11 52907 1 . THR 12 12 52907 1 . MET 13 13 52907 1 . ARG 14 14 52907 1 . CYS 15 15 52907 1 . HIS 16 16 52907 1 . CYS 17 17 52907 1 . GLY 18 18 52907 1 . MET 19 19 52907 1 . ASP 20 20 52907 1 . HIS 21 21 52907 1 . GLY 22 22 52907 1 . ASP 23 23 52907 1 . GLY 24 24 52907 1 . ASP 25 25 52907 1 . THR 26 26 52907 1 . ILE 27 27 52907 1 . GLU 28 28 52907 1 . CYS 29 29 52907 1 . GLU 30 30 52907 1 . GLY 31 31 52907 1 . CYS 32 32 52907 1 . LYS 33 33 52907 1 . THR 34 34 52907 1 . TRP 35 35 52907 1 . GLN 36 36 52907 1 . HIS 37 37 52907 1 . MET 38 38 52907 1 . ALA 39 39 52907 1 . CYS 40 40 52907 1 . MET 41 41 52907 1 . GLY 42 42 52907 1 . LEU 43 43 52907 1 . THR 44 44 52907 1 . LEU 45 45 52907 1 . LYS 46 46 52907 1 . SER 47 47 52907 1 . ASN 48 48 52907 1 . THR 49 49 52907 1 . SER 50 50 52907 1 . LYS 51 51 52907 1 . TYR 52 52 52907 1 . LYS 53 53 52907 1 . CYS 54 54 52907 1 . GLU 55 55 52907 1 . MET 56 56 52907 1 . CYS 57 57 52907 1 . LEU 58 58 52907 1 . PRO 59 59 52907 1 . ARG 60 60 52907 1 . ARG 61 61 52907 1 . LEU 62 62 52907 1 . PRO 63 63 52907 1 . VAL 64 64 52907 1 . SER 65 65 52907 1 . LYS 66 66 52907 1 . ALA 67 67 52907 1 . GLU 68 68 52907 1 . ALA 69 69 52907 1 . ALA 70 70 52907 1 . ARG 71 71 52907 1 . GLU 72 72 52907 1 . GLN 73 73 52907 1 . GLU 74 74 52907 1 . ARG 75 75 52907 1 . ILE 76 76 52907 1 . LEU 77 77 52907 1 . ASN 78 78 52907 1 . ARG 79 79 52907 1 . LEU 80 80 52907 1 . ARG 81 81 52907 1 . ALA 82 82 52907 1 . ALA 83 83 52907 1 . ALA 84 84 52907 1 . ARG 85 85 52907 1 . LYS 86 86 52907 1 . GLN 87 87 52907 1 . LYS 88 88 52907 1 . ARG 89 89 52907 1 . LYS 90 90 52907 1 . SER 91 91 52907 1 . GLU 92 92 52907 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52907 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ARTKQTARKSTGGKAPRKQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 52907 2 2 . ARG . 52907 2 3 . THR . 52907 2 4 . LYS . 52907 2 5 . GLN . 52907 2 6 . THR . 52907 2 7 . ALA . 52907 2 8 . ARG . 52907 2 9 . LYS . 52907 2 10 . SER . 52907 2 11 . THR . 52907 2 12 . GLY . 52907 2 13 . GLY . 52907 2 14 . LYS . 52907 2 15 . ALA . 52907 2 16 . PRO . 52907 2 17 . ARG . 52907 2 18 . LYS . 52907 2 19 . GLN . 52907 2 20 . LYS . 52907 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 52907 2 . ARG 2 2 52907 2 . THR 3 3 52907 2 . LYS 4 4 52907 2 . GLN 5 5 52907 2 . THR 6 6 52907 2 . ALA 7 7 52907 2 . ARG 8 8 52907 2 . LYS 9 9 52907 2 . SER 10 10 52907 2 . THR 11 11 52907 2 . GLY 12 12 52907 2 . GLY 13 13 52907 2 . LYS 14 14 52907 2 . ALA 15 15 52907 2 . PRO 16 16 52907 2 . ARG 17 17 52907 2 . LYS 18 18 52907 2 . GLN 19 19 52907 2 . LYS 20 20 52907 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 52907 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 52907 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 52907 3 ZN 'Three letter code' 52907 3 stop_ 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 1 ZN $chem_comp_ZN 52907 3 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 52907 _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 . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 52907 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 52907 _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 BL21(DE3) . . plasmid . . pGEX-6P . . 'SET-9/26 PHD (residues 780-866 from SET-9) were generated with an N- terminal GST tag using a modified pGEX-6P vector.' 52907 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 52907 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 52907 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 52907 ZN [Zn++] SMILES CACTVS 3.341 52907 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 52907 ZN [Zn+2] SMILES ACDLabs 10.04 52907 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 52907 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52907 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 52907 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52907 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 52907 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52907 _Sample.ID 1 _Sample.Name 'SET-9/26 PHD finger in the peptide (H3K4me3)-bound state' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM SET-9/26 PHD finger + 2.5 mM H3K4me3 in the following NMR buffer: 10 mM sodium phosphate, 50 mM NaCl, 1 mM TCEP.HCl, pH 7.2 ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SET-9/26 PHD finger' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52907 1 2 'H3K4me3 (Lys4 is tri-methylated)' 'natural abundance' . . 2 $entity_2 . . 2.5 . . mM . . . . 52907 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52907 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 52907 1 5 TCEP.HCL 'natural abundance' . . . . . . 1 . . mM . . . . 52907 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 52907 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SET-9/26 PHD finger in the peptide (H3K4me3)-bound state in solution' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.08 . M 52907 1 pH 7.2 . pH 52907 1 pressure 1 . atm 52907 1 temperature 298 . K 52907 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52907 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52907 1 'data analysis' . 52907 1 processing . 52907 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52907 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52907 2 'data analysis' . 52907 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52907 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52907 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 52907 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz spectrometer equipped with a Z-gradient CryoProbe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52907 _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 . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 2 '2D 1H-13C HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 3 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 4 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 5 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 6 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 7 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 8 '3D HBHA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 9 HCCH-TOCSY no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 10 '3D HCCH-COSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 11 '15N-resolved [1H, 1H]-NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 12 '3D 13Cali-resolved [1H, 1H]-NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 13 '3D 13Caro-resolved [1H, 1H]-NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52907 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52907 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details ; This study made use of NMRbox: National Center for Biomolecular NMR Data Processing and Analysis, a Biomedical Technology Research Resource (BTRR), which is supported by NIH grant P41GM111135 (NIGMS). ; 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 52907 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52907 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52907 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52907 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 52907 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shift assignments of SET-9/26 PHD finger in the peptide (H3K4me3)-bound state' _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 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 52907 1 2 '2D 1H-13C HSQC' . . . 52907 1 3 '3D CBCA(CO)NH' . . . 52907 1 4 '3D HNCACB' . . . 52907 1 5 '3D HNCA' . . . 52907 1 6 '3D HNCO' . . . 52907 1 7 '3D HN(CA)CO' . . . 52907 1 8 '3D HBHA(CO)NH' . . . 52907 1 9 HCCH-TOCSY . . . 52907 1 10 '3D HCCH-COSY' . . . 52907 1 11 '15N-resolved [1H, 1H]-NOESY' . . . 52907 1 12 '3D 13Cali-resolved [1H, 1H]-NOESY' . . . 52907 1 13 '3D 13Caro-resolved [1H, 1H]-NOESY' . . . 52907 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52907 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 2 2 PRO HB2 H 1 2.28 0.000 . 1 . . . . . 776 P HB2 . 52907 1 2 . 1 . 1 2 2 PRO HB3 H 1 1.891 0.000 . 1 . . . . . 776 P HB3 . 52907 1 3 . 1 . 1 2 2 PRO C C 13 176.746 0.000 . 1 . . . . . 776 P C . 52907 1 4 . 1 . 1 2 2 PRO CA C 13 63.126 0.000 . 1 . . . . . 776 P CA . 52907 1 5 . 1 . 1 2 2 PRO CB C 13 32.177 0.000 . 1 . . . . . 776 P CB . 52907 1 6 . 1 . 1 2 2 PRO CG C 13 26.905 0.000 . 1 . . . . . 776 P CG . 52907 1 7 . 1 . 1 2 2 PRO CD C 13 49.498 0.000 . 1 . . . . . 776 P CD . 52907 1 8 . 1 . 1 3 3 LEU H H 1 8.511 0.000 . 1 . . . . . 777 L H . 52907 1 9 . 1 . 1 3 3 LEU HA H 1 4.325 0.000 . 1 . . . . . 777 L HA . 52907 1 10 . 1 . 1 3 3 LEU HB2 H 1 1.644 0.000 . 1 . . . . . 777 L HB2 . 52907 1 11 . 1 . 1 3 3 LEU HB3 H 1 1.573 0.000 . 1 . . . . . 777 L HB3 . 52907 1 12 . 1 . 1 3 3 LEU C C 13 177.688 0.000 . 1 . . . . . 777 L C . 52907 1 13 . 1 . 1 3 3 LEU CA C 13 55.388 0.000 . 1 . . . . . 777 L CA . 52907 1 14 . 1 . 1 3 3 LEU CB C 13 42.407 0.000 . 1 . . . . . 777 L CB . 52907 1 15 . 1 . 1 3 3 LEU CG C 13 26.961 0.000 . 1 . . . . . 777 L CG . 52907 1 16 . 1 . 1 3 3 LEU CD1 C 13 24.735 0.000 . 2 . . . . . 777 L CD1 . 52907 1 17 . 1 . 1 3 3 LEU CD2 C 13 23.622 0.000 . 2 . . . . . 777 L CD2 . 52907 1 18 . 1 . 1 3 3 LEU N N 15 122.374 0.000 . 1 . . . . . 777 L N . 52907 1 19 . 1 . 1 4 4 GLY H H 1 8.406 0.000 . 1 . . . . . 778 G H . 52907 1 20 . 1 . 1 4 4 GLY HA2 H 1 3.984 0.000 . 1 . . . . . 778 G QA . 52907 1 21 . 1 . 1 4 4 GLY HA3 H 1 3.984 0.000 . 1 . . . . . 778 G QA . 52907 1 22 . 1 . 1 4 4 GLY C C 13 173.966 0.000 . 1 . . . . . 778 G C . 52907 1 23 . 1 . 1 4 4 GLY CA C 13 45.241 0.000 . 1 . . . . . 778 G CA . 52907 1 24 . 1 . 1 4 4 GLY N N 15 110.115 0.000 . 1 . . . . . 778 G N . 52907 1 25 . 1 . 1 5 5 SER H H 1 8.186 0.000 . 1 . . . . . 779 S H . 52907 1 26 . 1 . 1 5 5 SER HA H 1 4.432 0.000 . 1 . . . . . 779 S HA . 52907 1 27 . 1 . 1 5 5 SER HB2 H 1 3.858 0.000 . 1 . . . . . 779 S HB2 . 52907 1 28 . 1 . 1 5 5 SER HB3 H 1 3.828 0.000 . 1 . . . . . 779 S HB3 . 52907 1 29 . 1 . 1 5 5 SER C C 13 174.129 0.000 . 1 . . . . . 779 S C . 52907 1 30 . 1 . 1 5 5 SER CA C 13 58.259 0.000 . 1 . . . . . 779 S CA . 52907 1 31 . 1 . 1 5 5 SER CB C 13 64.01 0.000 . 1 . . . . . 779 S CB . 52907 1 32 . 1 . 1 5 5 SER N N 15 115.939 0.000 . 1 . . . . . 779 S N . 52907 1 33 . 1 . 1 6 6 ALA H H 1 8.364 0.000 . 1 . . . . . 780 A H . 52907 1 34 . 1 . 1 6 6 ALA HA H 1 4.3 0.000 . 1 . . . . . 780 A HA . 52907 1 35 . 1 . 1 6 6 ALA C C 13 177.223 0.000 . 1 . . . . . 780 A C . 52907 1 36 . 1 . 1 6 6 ALA CA C 13 52.526 0.000 . 1 . . . . . 780 A CA . 52907 1 37 . 1 . 1 6 6 ALA N N 15 125.97 0.000 . 1 . . . . . 780 A N . 52907 1 38 . 1 . 1 7 7 ALA H H 1 8.17 0.000 . 1 . . . . . 781 A H . 52907 1 39 . 1 . 1 7 7 ALA HA H 1 4.248 0.000 . 1 . . . . . 781 A HA . 52907 1 40 . 1 . 1 7 7 ALA HB1 H 1 1.358 0.000 . 1 . . . . . 781 A HB# . 52907 1 41 . 1 . 1 7 7 ALA HB2 H 1 1.358 0.000 . 1 . . . . . 781 A HB# . 52907 1 42 . 1 . 1 7 7 ALA HB3 H 1 1.358 0.000 . 1 . . . . . 781 A HB# . 52907 1 43 . 1 . 1 7 7 ALA C C 13 177.432 0.000 . 1 . . . . . 781 A C . 52907 1 44 . 1 . 1 7 7 ALA CA C 13 52.546 0.000 . 1 . . . . . 781 A CA . 52907 1 45 . 1 . 1 7 7 ALA CB C 13 19.432 0.000 . 1 . . . . . 781 A CB . 52907 1 46 . 1 . 1 7 7 ALA N N 15 122.989 0.000 . 1 . . . . . 781 A N . 52907 1 47 . 1 . 1 8 8 GLU H H 1 8.237 0.000 . 1 . . . . . 782 E H . 52907 1 48 . 1 . 1 8 8 GLU HA H 1 4.252 0.000 . 1 . . . . . 782 E HA . 52907 1 49 . 1 . 1 8 8 GLU HB2 H 1 1.951 0.000 . 1 . . . . . 782 E QB . 52907 1 50 . 1 . 1 8 8 GLU HB3 H 1 1.951 0.000 . 1 . . . . . 782 E QB . 52907 1 51 . 1 . 1 8 8 GLU HG2 H 1 2.252 0.000 . 1 . . . . . 782 E QG . 52907 1 52 . 1 . 1 8 8 GLU HG3 H 1 2.252 0.000 . 1 . . . . . 782 E QG . 52907 1 53 . 1 . 1 8 8 GLU C C 13 176.071 0.000 . 1 . . . . . 782 E C . 52907 1 54 . 1 . 1 8 8 GLU CA C 13 56.489 0.000 . 1 . . . . . 782 E CA . 52907 1 55 . 1 . 1 8 8 GLU CB C 13 30.312 0.000 . 1 . . . . . 782 E CB . 52907 1 56 . 1 . 1 8 8 GLU CG C 13 36.386 0.000 . 1 . . . . . 782 E CG . 52907 1 57 . 1 . 1 8 8 GLU N N 15 119.899 0.000 . 1 . . . . . 782 E N . 52907 1 58 . 1 . 1 9 9 GLU H H 1 8.316 0.000 . 1 . . . . . 783 E H . 52907 1 59 . 1 . 1 9 9 GLU HA H 1 4.308 0.000 . 1 . . . . . 783 E HA . 52907 1 60 . 1 . 1 9 9 GLU HB2 H 1 1.951 0.000 . 1 . . . . . 783 E HB2 . 52907 1 61 . 1 . 1 9 9 GLU HB3 H 1 1.812 0.000 . 1 . . . . . 783 E HB3 . 52907 1 62 . 1 . 1 9 9 GLU HG2 H 1 2.278 0.000 . 1 . . . . . 783 E QG . 52907 1 63 . 1 . 1 9 9 GLU HG3 H 1 2.278 0.000 . 1 . . . . . 783 E QG . 52907 1 64 . 1 . 1 9 9 GLU C C 13 176.071 0.000 . 1 . . . . . 783 E C . 52907 1 65 . 1 . 1 9 9 GLU CA C 13 56.469 0.000 . 1 . . . . . 783 E CA . 52907 1 66 . 1 . 1 9 9 GLU CB C 13 30.55 0.000 . 1 . . . . . 783 E CB . 52907 1 67 . 1 . 1 9 9 GLU CG C 13 36.49 0.000 . 1 . . . . . 783 E CG . 52907 1 68 . 1 . 1 9 9 GLU N N 15 122.139 0.000 . 1 . . . . . 783 E N . 52907 1 69 . 1 . 1 10 10 SER H H 1 8.329 0.000 . 1 . . . . . 784 S H . 52907 1 70 . 1 . 1 10 10 SER HA H 1 4.376 0.000 . 1 . . . . . 784 S HA . 52907 1 71 . 1 . 1 10 10 SER HB2 H 1 3.77 0.000 . 1 . . . . . 784 S QB . 52907 1 72 . 1 . 1 10 10 SER HB3 H 1 3.77 0.000 . 1 . . . . . 784 S QB . 52907 1 73 . 1 . 1 10 10 SER C C 13 173.024 0.000 . 1 . . . . . 784 S C . 52907 1 74 . 1 . 1 10 10 SER CA C 13 58.193 0.000 . 1 . . . . . 784 S CA . 52907 1 75 . 1 . 1 10 10 SER CB C 13 63.902 0.000 . 1 . . . . . 784 S CB . 52907 1 76 . 1 . 1 10 10 SER N N 15 117.653 0.000 . 1 . . . . . 784 S N . 52907 1 77 . 1 . 1 11 11 TRP H H 1 7.584 0.000 . 1 . . . . . 785 W H . 52907 1 78 . 1 . 1 11 11 TRP HA H 1 5.026 0.000 . 1 . . . . . 785 W HA . 52907 1 79 . 1 . 1 11 11 TRP HB2 H 1 3.188 0.000 . 1 . . . . . 785 W HB2 . 52907 1 80 . 1 . 1 11 11 TRP HB3 H 1 2.882 0.000 . 1 . . . . . 785 W HB3 . 52907 1 81 . 1 . 1 11 11 TRP HD1 H 1 6.921 0.000 . 1 . . . . . 785 W HD1 . 52907 1 82 . 1 . 1 11 11 TRP HE1 H 1 10.174 0.000 . 1 . . . . . 785 W HE1 . 52907 1 83 . 1 . 1 11 11 TRP HE3 H 1 6.998 0.000 . 1 . . . . . 785 W HE3 . 52907 1 84 . 1 . 1 11 11 TRP HZ2 H 1 7.372 0.000 . 1 . . . . . 785 W HZ2 . 52907 1 85 . 1 . 1 11 11 TRP HZ3 H 1 6.867 0.000 . 1 . . . . . 785 W HZ3 . 52907 1 86 . 1 . 1 11 11 TRP HH2 H 1 7.1 0.000 . 1 . . . . . 785 W HH2 . 52907 1 87 . 1 . 1 11 11 TRP C C 13 174.396 0.000 . 1 . . . . . 785 W C . 52907 1 88 . 1 . 1 11 11 TRP CA C 13 55.354 0.000 . 1 . . . . . 785 W CA . 52907 1 89 . 1 . 1 11 11 TRP CB C 13 31.195 0.000 . 1 . . . . . 785 W CB . 52907 1 90 . 1 . 1 11 11 TRP CD1 C 13 128.5 0.000 . 1 . . . . . 785 W CD1 . 52907 1 91 . 1 . 1 11 11 TRP CE3 C 13 120.521 0.000 . 1 . . . . . 785 W CE3 . 52907 1 92 . 1 . 1 11 11 TRP CZ2 C 13 115.038 0.000 . 1 . . . . . 785 W CZ2 . 52907 1 93 . 1 . 1 11 11 TRP CZ3 C 13 122.307 0.000 . 1 . . . . . 785 W CZ3 . 52907 1 94 . 1 . 1 11 11 TRP CH2 C 13 124.57 0.000 . 1 . . . . . 785 W CH2 . 52907 1 95 . 1 . 1 11 11 TRP N N 15 119.958 0.000 . 1 . . . . . 785 W N . 52907 1 96 . 1 . 1 11 11 TRP NE1 N 15 130.638 0.000 . 1 . . . . . 785 W NE1 . 52907 1 97 . 1 . 1 12 12 THR HA H 1 4.482 0.000 . 1 . . . . . 786 T HA . 52907 1 98 . 1 . 1 12 12 THR HB H 1 3.992 0.000 . 1 . . . . . 786 T HB . 52907 1 99 . 1 . 1 12 12 THR HG21 H 1 1.188 0.000 . 1 . . . . . 786 T QG2 . 52907 1 100 . 1 . 1 12 12 THR HG22 H 1 1.188 0.000 . 1 . . . . . 786 T QG2 . 52907 1 101 . 1 . 1 12 12 THR HG23 H 1 1.188 0.000 . 1 . . . . . 786 T QG2 . 52907 1 102 . 1 . 1 12 12 THR C C 13 173.733 0.000 . 1 . . . . . 786 T C . 52907 1 103 . 1 . 1 12 12 THR CA C 13 61.844 0.000 . 1 . . . . . 786 T CA . 52907 1 104 . 1 . 1 12 12 THR CB C 13 71.994 0.000 . 1 . . . . . 786 T CB . 52907 1 105 . 1 . 1 12 12 THR CG2 C 13 21.674 0.000 . 1 . . . . . 786 T CG2 . 52907 1 106 . 1 . 1 13 13 MET H H 1 8.983 0.000 . 1 . . . . . 787 M H . 52907 1 107 . 1 . 1 13 13 MET HA H 1 5.206 0.000 . 1 . . . . . 787 M HA . 52907 1 108 . 1 . 1 13 13 MET HB2 H 1 1.979 0.000 . 1 . . . . . 787 M HB2 . 52907 1 109 . 1 . 1 13 13 MET HB3 H 1 2.432 0.000 . 1 . . . . . 787 M HB3 . 52907 1 110 . 1 . 1 13 13 MET HG2 H 1 2.444 0.000 . 1 . . . . . 787 M QG . 52907 1 111 . 1 . 1 13 13 MET HG3 H 1 2.444 0.000 . 1 . . . . . 787 M QG . 52907 1 112 . 1 . 1 13 13 MET HE1 H 1 1.221 0.000 . 1 . . . . . 787 M HE# . 52907 1 113 . 1 . 1 13 13 MET HE2 H 1 1.221 0.000 . 1 . . . . . 787 M HE# . 52907 1 114 . 1 . 1 13 13 MET HE3 H 1 1.221 0.000 . 1 . . . . . 787 M HE# . 52907 1 115 . 1 . 1 13 13 MET C C 13 176.49 0.000 . 1 . . . . . 787 M C . 52907 1 116 . 1 . 1 13 13 MET CA C 13 52.71 0.000 . 1 . . . . . 787 M CA . 52907 1 117 . 1 . 1 13 13 MET CB C 13 29.15 0.000 . 1 . . . . . 787 M CB . 52907 1 118 . 1 . 1 13 13 MET CG C 13 30.107 0.000 . 1 . . . . . 787 M CG . 52907 1 119 . 1 . 1 13 13 MET CE C 13 12.843 0.000 . 1 . . . . . 787 M CE . 52907 1 120 . 1 . 1 13 13 MET N N 15 124.942 0.000 . 1 . . . . . 787 M N . 52907 1 121 . 1 . 1 14 14 ARG H H 1 9.383 0.000 . 1 . . . . . 788 R H . 52907 1 122 . 1 . 1 14 14 ARG HA H 1 4.075 0.000 . 1 . . . . . 788 R HA . 52907 1 123 . 1 . 1 14 14 ARG HB2 H 1 2.422 0.000 . 1 . . . . . 788 R HB2 . 52907 1 124 . 1 . 1 14 14 ARG HB3 H 1 1.494 0.000 . 1 . . . . . 788 R HB3 . 52907 1 125 . 1 . 1 14 14 ARG HG2 H 1 1.793 0.000 . 1 . . . . . 788 R HG2 . 52907 1 126 . 1 . 1 14 14 ARG HG3 H 1 1.719 0.000 . 1 . . . . . 788 R HG3 . 52907 1 127 . 1 . 1 14 14 ARG HD2 H 1 2.974 0.000 . 1 . . . . . 788 R HD2 . 52907 1 128 . 1 . 1 14 14 ARG HD3 H 1 3.109 0.000 . 1 . . . . . 788 R HD3 . 52907 1 129 . 1 . 1 14 14 ARG HE H 1 7.275 0.000 . 1 . . . . . 788 R HE . 52907 1 130 . 1 . 1 14 14 ARG C C 13 171 0.000 . 1 . . . . . 788 R C . 52907 1 131 . 1 . 1 14 14 ARG CA C 13 57.994 0.000 . 1 . . . . . 788 R CA . 52907 1 132 . 1 . 1 14 14 ARG CB C 13 29.231 0.000 . 1 . . . . . 788 R CB . 52907 1 133 . 1 . 1 14 14 ARG CG C 13 26.943 0.000 . 1 . . . . . 788 R CG . 52907 1 134 . 1 . 1 14 14 ARG CD C 13 42.153 0.000 . 1 . . . . . 788 R CD . 52907 1 135 . 1 . 1 14 14 ARG N N 15 127.683 0.000 . 1 . . . . . 788 R N . 52907 1 136 . 1 . 1 14 14 ARG NE N 15 85.028 0.000 . 1 . . . . . 788 R NE . 52907 1 137 . 1 . 1 15 15 CYS H H 1 8.936 0.000 . 1 . . . . . 789 C H . 52907 1 138 . 1 . 1 15 15 CYS HA H 1 5.342 0.000 . 1 . . . . . 789 C HA . 52907 1 139 . 1 . 1 15 15 CYS HB2 H 1 3.123 0.000 . 1 . . . . . 789 C HB2 . 52907 1 140 . 1 . 1 15 15 CYS HB3 H 1 2.489 0.000 . 1 . . . . . 789 C HB3 . 52907 1 141 . 1 . 1 15 15 CYS C C 13 177.316 0.000 . 1 . . . . . 789 C C . 52907 1 142 . 1 . 1 15 15 CYS CA C 13 58.302 0.000 . 1 . . . . . 789 C CA . 52907 1 143 . 1 . 1 15 15 CYS CB C 13 32.635 0.000 . 1 . . . . . 789 C CB . 52907 1 144 . 1 . 1 15 15 CYS N N 15 127.962 0.000 . 1 . . . . . 789 C N . 52907 1 145 . 1 . 1 16 16 HIS H H 1 10.482 0.000 . 1 . . . . . 790 H H . 52907 1 146 . 1 . 1 16 16 HIS HA H 1 4.3 0.000 . 1 . . . . . 790 H HA . 52907 1 147 . 1 . 1 16 16 HIS HB2 H 1 3.43 0.000 . 1 . . . . . 790 H HB2 . 52907 1 148 . 1 . 1 16 16 HIS HB3 H 1 3.203 0.000 . 1 . . . . . 790 H HB3 . 52907 1 149 . 1 . 1 16 16 HIS HD2 H 1 7.055 0.000 . 1 . . . . . 790 H HD2 . 52907 1 150 . 1 . 1 16 16 HIS HE1 H 1 7.476 0.000 . 1 . . . . . 790 H HE1 . 52907 1 151 . 1 . 1 16 16 HIS C C 13 175.129 0.000 . 1 . . . . . 790 H C . 52907 1 152 . 1 . 1 16 16 HIS CA C 13 59.126 0.000 . 1 . . . . . 790 H CA . 52907 1 153 . 1 . 1 16 16 HIS CB C 13 30.375 0.000 . 1 . . . . . 790 H CB . 52907 1 154 . 1 . 1 16 16 HIS CD2 C 13 118.605 0.000 . 1 . . . . . 790 H CD2 . 52907 1 155 . 1 . 1 16 16 HIS CE1 C 13 138.211 0.000 . 1 . . . . . 790 H CE1 . 52907 1 156 . 1 . 1 16 16 HIS N N 15 133.157 0.000 . 1 . . . . . 790 H N . 52907 1 157 . 1 . 1 17 17 CYS H H 1 7.217 0.000 . 1 . . . . . 791 C H . 52907 1 158 . 1 . 1 17 17 CYS HA H 1 4.097 0.000 . 1 . . . . . 791 C HA . 52907 1 159 . 1 . 1 17 17 CYS HB2 H 1 2.757 0.000 . 1 . . . . . 791 C HB2 . 52907 1 160 . 1 . 1 17 17 CYS HB3 H 1 3.155 0.000 . 1 . . . . . 791 C HB3 . 52907 1 161 . 1 . 1 17 17 CYS C C 13 176.234 0.000 . 1 . . . . . 791 C C . 52907 1 162 . 1 . 1 17 17 CYS CA C 13 59.781 0.000 . 1 . . . . . 791 C CA . 52907 1 163 . 1 . 1 17 17 CYS CB C 13 31.019 0.000 . 1 . . . . . 791 C CB . 52907 1 164 . 1 . 1 17 17 CYS N N 15 119.325 0.000 . 1 . . . . . 791 C N . 52907 1 165 . 1 . 1 18 18 GLY H H 1 8.352 0.000 . 1 . . . . . 792 G H . 52907 1 166 . 1 . 1 18 18 GLY HA2 H 1 3.871 0.000 . 1 . . . . . 792 G HA2 . 52907 1 167 . 1 . 1 18 18 GLY HA3 H 1 4.075 0.000 . 1 . . . . . 792 G HA3 . 52907 1 168 . 1 . 1 18 18 GLY C C 13 173.966 0.000 . 1 . . . . . 792 G C . 52907 1 169 . 1 . 1 18 18 GLY CA C 13 45.867 0.000 . 1 . . . . . 792 G CA . 52907 1 170 . 1 . 1 18 18 GLY N N 15 109.111 0.000 . 1 . . . . . 792 G N . 52907 1 171 . 1 . 1 19 19 MET H H 1 9.25 0.000 . 1 . . . . . 793 M H . 52907 1 172 . 1 . 1 19 19 MET HA H 1 4.734 0.000 . 1 . . . . . 793 M HA . 52907 1 173 . 1 . 1 19 19 MET HB2 H 1 2.76 0.000 . 1 . . . . . 793 M HB2 . 52907 1 174 . 1 . 1 19 19 MET HB3 H 1 2.635 0.000 . 1 . . . . . 793 M HB3 . 52907 1 175 . 1 . 1 19 19 MET HG2 H 1 2.517 0.000 . 1 . . . . . 793 M HG2 . 52907 1 176 . 1 . 1 19 19 MET HG3 H 1 2.457 0.000 . 1 . . . . . 793 M HG3 . 52907 1 177 . 1 . 1 19 19 MET HE1 H 1 2.013 0.000 . 1 . . . . . 793 M HE# . 52907 1 178 . 1 . 1 19 19 MET HE2 H 1 2.013 0.000 . 1 . . . . . 793 M HE# . 52907 1 179 . 1 . 1 19 19 MET HE3 H 1 2.013 0.000 . 1 . . . . . 793 M HE# . 52907 1 180 . 1 . 1 19 19 MET C C 13 176.816 0.000 . 1 . . . . . 793 M C . 52907 1 181 . 1 . 1 19 19 MET CA C 13 55.803 0.000 . 1 . . . . . 793 M CA . 52907 1 182 . 1 . 1 19 19 MET CB C 13 35.907 0.000 . 1 . . . . . 793 M CB . 52907 1 183 . 1 . 1 19 19 MET CG C 13 32.313 0.000 . 1 . . . . . 793 M CG . 52907 1 184 . 1 . 1 19 19 MET CE C 13 17.534 0.000 . 1 . . . . . 793 M CE . 52907 1 185 . 1 . 1 19 19 MET N N 15 123.576 0.000 . 1 . . . . . 793 M N . 52907 1 186 . 1 . 1 20 20 ASP H H 1 8.416 0.000 . 1 . . . . . 794 D H . 52907 1 187 . 1 . 1 20 20 ASP HA H 1 4.576 0.000 . 1 . . . . . 794 D HA . 52907 1 188 . 1 . 1 20 20 ASP HB2 H 1 2.937 0.000 . 1 . . . . . 794 D HB2 . 52907 1 189 . 1 . 1 20 20 ASP HB3 H 1 2.658 0.000 . 1 . . . . . 794 D HB3 . 52907 1 190 . 1 . 1 20 20 ASP C C 13 175.548 0.000 . 1 . . . . . 794 D C . 52907 1 191 . 1 . 1 20 20 ASP CA C 13 53.252 0.000 . 1 . . . . . 794 D CA . 52907 1 192 . 1 . 1 20 20 ASP CB C 13 41.626 0.000 . 1 . . . . . 794 D CB . 52907 1 193 . 1 . 1 20 20 ASP N N 15 119.674 0.000 . 1 . . . . . 794 D N . 52907 1 194 . 1 . 1 21 21 HIS H H 1 7.966 0.000 . 1 . . . . . 795 H H . 52907 1 195 . 1 . 1 21 21 HIS HA H 1 4.664 0.000 . 1 . . . . . 795 H HA . 52907 1 196 . 1 . 1 21 21 HIS HB2 H 1 3.47 0.000 . 1 . . . . . 795 H HB2 . 52907 1 197 . 1 . 1 21 21 HIS HB3 H 1 3.193 0.000 . 1 . . . . . 795 H HB3 . 52907 1 198 . 1 . 1 21 21 HIS HD2 H 1 7.338 0.000 . 1 . . . . . 795 H HD2 . 52907 1 199 . 1 . 1 21 21 HIS HE1 H 1 7.552 0.000 . 1 . . . . . 795 H HE1 . 52907 1 200 . 1 . 1 21 21 HIS C C 13 175.676 0.000 . 1 . . . . . 795 H C . 52907 1 201 . 1 . 1 21 21 HIS CA C 13 56.542 0.000 . 1 . . . . . 795 H CA . 52907 1 202 . 1 . 1 21 21 HIS CB C 13 30.484 0.000 . 1 . . . . . 795 H CB . 52907 1 203 . 1 . 1 21 21 HIS CD2 C 13 118.232 0.000 . 1 . . . . . 795 H CD2 . 52907 1 204 . 1 . 1 21 21 HIS CE1 C 13 136.753 0.000 . 1 . . . . . 795 H CE1 . 52907 1 205 . 1 . 1 21 21 HIS N N 15 116.393 0.000 . 1 . . . . . 795 H N . 52907 1 206 . 1 . 1 22 22 GLY H H 1 9.009 0.000 . 1 . . . . . 796 G H . 52907 1 207 . 1 . 1 22 22 GLY HA2 H 1 3.058 0.000 . 1 . . . . . 796 G HA2 . 52907 1 208 . 1 . 1 22 22 GLY HA3 H 1 4.437 0.000 . 1 . . . . . 796 G HA3 . 52907 1 209 . 1 . 1 22 22 GLY C C 13 172.663 0.000 . 1 . . . . . 796 G C . 52907 1 210 . 1 . 1 22 22 GLY CA C 13 44.562 0.000 . 1 . . . . . 796 G CA . 52907 1 211 . 1 . 1 22 22 GLY N N 15 107.841 0.000 . 1 . . . . . 796 G N . 52907 1 212 . 1 . 1 23 23 ASP H H 1 7.695 0.000 . 1 . . . . . 797 D H . 52907 1 213 . 1 . 1 23 23 ASP HA H 1 4.256 0.000 . 1 . . . . . 797 D HA . 52907 1 214 . 1 . 1 23 23 ASP HB2 H 1 2.482 0.000 . 1 . . . . . 797 D HB2 . 52907 1 215 . 1 . 1 23 23 ASP HB3 H 1 2.234 0.000 . 1 . . . . . 797 D HB3 . 52907 1 216 . 1 . 1 23 23 ASP C C 13 174.664 0.000 . 1 . . . . . 797 D C . 52907 1 217 . 1 . 1 23 23 ASP CA C 13 53.98 0.000 . 1 . . . . . 797 D CA . 52907 1 218 . 1 . 1 23 23 ASP CB C 13 43.185 0.000 . 1 . . . . . 797 D CB . 52907 1 219 . 1 . 1 23 23 ASP N N 15 116.377 0.000 . 1 . . . . . 797 D N . 52907 1 220 . 1 . 1 24 24 GLY H H 1 8.552 0.000 . 1 . . . . . 798 G H . 52907 1 221 . 1 . 1 24 24 GLY HA2 H 1 3.609 0.000 . 1 . . . . . 798 G HA2 . 52907 1 222 . 1 . 1 24 24 GLY HA3 H 1 4.27 0.000 . 1 . . . . . 798 G HA3 . 52907 1 223 . 1 . 1 24 24 GLY C C 13 173.838 0.000 . 1 . . . . . 798 G C . 52907 1 224 . 1 . 1 24 24 GLY CA C 13 44.777 0.000 . 1 . . . . . 798 G CA . 52907 1 225 . 1 . 1 24 24 GLY N N 15 105.961 0.000 . 1 . . . . . 798 G N . 52907 1 226 . 1 . 1 26 26 THR HA H 1 5.203 0.000 . 1 . . . . . 800 T HA . 52907 1 227 . 1 . 1 26 26 THR HB H 1 4.163 0.000 . 1 . . . . . 800 T HB . 52907 1 228 . 1 . 1 26 26 THR HG21 H 1 0.906 0.000 . 1 . . . . . 800 T QG2 . 52907 1 229 . 1 . 1 26 26 THR HG22 H 1 0.906 0.000 . 1 . . . . . 800 T QG2 . 52907 1 230 . 1 . 1 26 26 THR HG23 H 1 0.906 0.000 . 1 . . . . . 800 T QG2 . 52907 1 231 . 1 . 1 26 26 THR C C 13 171.5 0.000 . 1 . . . . . 800 T C . 52907 1 232 . 1 . 1 26 26 THR CA C 13 60.129 0.000 . 1 . . . . . 800 T CA . 52907 1 233 . 1 . 1 26 26 THR CB C 13 73.53 0.000 . 1 . . . . . 800 T CB . 52907 1 234 . 1 . 1 26 26 THR CG2 C 13 23.069 0.000 . 1 . . . . . 800 T CG2 . 52907 1 235 . 1 . 1 27 27 ILE H H 1 9.238 0.000 . 1 . . . . . 801 I H . 52907 1 236 . 1 . 1 27 27 ILE HA H 1 4.931 0.000 . 1 . . . . . 801 I HA . 52907 1 237 . 1 . 1 27 27 ILE HB H 1 1.19 0.000 . 1 . . . . . 801 I HB . 52907 1 238 . 1 . 1 27 27 ILE HG12 H 1 1.264 0.000 . 1 . . . . . 801 I HG12 . 52907 1 239 . 1 . 1 27 27 ILE HG13 H 1 0.4 0.000 . 1 . . . . . 801 I HG13 . 52907 1 240 . 1 . 1 27 27 ILE HG21 H 1 -0.083 0.000 . 1 . . . . . 801 I QG2 . 52907 1 241 . 1 . 1 27 27 ILE HG22 H 1 -0.083 0.000 . 1 . . . . . 801 I QG2 . 52907 1 242 . 1 . 1 27 27 ILE HG23 H 1 -0.083 0.000 . 1 . . . . . 801 I QG2 . 52907 1 243 . 1 . 1 27 27 ILE HD11 H 1 0.245 0.000 . 1 . . . . . 801 I QD1 . 52907 1 244 . 1 . 1 27 27 ILE HD12 H 1 0.245 0.000 . 1 . . . . . 801 I QD1 . 52907 1 245 . 1 . 1 27 27 ILE HD13 H 1 0.245 0.000 . 1 . . . . . 801 I QD1 . 52907 1 246 . 1 . 1 27 27 ILE C C 13 169.639 0.000 . 1 . . . . . 801 I C . 52907 1 247 . 1 . 1 27 27 ILE CA C 13 59.069 0.000 . 1 . . . . . 801 I CA . 52907 1 248 . 1 . 1 27 27 ILE CB C 13 42.495 0.000 . 1 . . . . . 801 I CB . 52907 1 249 . 1 . 1 27 27 ILE CG1 C 13 28.034 0.000 . 1 . . . . . 801 I CG1 . 52907 1 250 . 1 . 1 27 27 ILE CG2 C 13 15.094 0.000 . 1 . . . . . 801 I CG2 . 52907 1 251 . 1 . 1 27 27 ILE CD1 C 13 13.405 0.000 . 1 . . . . . 801 I CD1 . 52907 1 252 . 1 . 1 27 27 ILE N N 15 118.94 0.000 . 1 . . . . . 801 I N . 52907 1 253 . 1 . 1 28 28 GLU H H 1 7.604 0.000 . 1 . . . . . 802 E H . 52907 1 254 . 1 . 1 28 28 GLU HA H 1 3.46 0.000 . 1 . . . . . 802 E HA . 52907 1 255 . 1 . 1 28 28 GLU HB2 H 1 1.212 0.000 . 1 . . . . . 802 E HB2 . 52907 1 256 . 1 . 1 28 28 GLU HB3 H 1 -1.315 0.000 . 1 . . . . . 802 E HB3 . 52907 1 257 . 1 . 1 28 28 GLU HG2 H 1 1.254 0.000 . 1 . . . . . 802 E HG2 . 52907 1 258 . 1 . 1 28 28 GLU HG3 H 1 0.553 0.000 . 1 . . . . . 802 E HG3 . 52907 1 259 . 1 . 1 28 28 GLU C C 13 175.466 0.000 . 1 . . . . . 802 E C . 52907 1 260 . 1 . 1 28 28 GLU CA C 13 53.627 0.000 . 1 . . . . . 802 E CA . 52907 1 261 . 1 . 1 28 28 GLU CB C 13 30.623 0.000 . 1 . . . . . 802 E CB . 52907 1 262 . 1 . 1 28 28 GLU CG C 13 35.557 0.000 . 1 . . . . . 802 E CG . 52907 1 263 . 1 . 1 28 28 GLU N N 15 128.55 0.000 . 1 . . . . . 802 E N . 52907 1 264 . 1 . 1 29 29 CYS H H 1 8.853 0.000 . 1 . . . . . 803 C H . 52907 1 265 . 1 . 1 29 29 CYS HA H 1 4.317 0.000 . 1 . . . . . 803 C HA . 52907 1 266 . 1 . 1 29 29 CYS HB2 H 1 3.336 0.000 . 1 . . . . . 803 C QB . 52907 1 267 . 1 . 1 29 29 CYS HB3 H 1 3.336 0.000 . 1 . . . . . 803 C QB . 52907 1 268 . 1 . 1 29 29 CYS C C 13 177.362 0.000 . 1 . . . . . 803 C C . 52907 1 269 . 1 . 1 29 29 CYS CA C 13 60.804 0.000 . 1 . . . . . 803 C CA . 52907 1 270 . 1 . 1 29 29 CYS CB C 13 30.077 0.000 . 1 . . . . . 803 C CB . 52907 1 271 . 1 . 1 29 29 CYS N N 15 131.068 0.000 . 1 . . . . . 803 C N . 52907 1 272 . 1 . 1 30 30 GLU H H 1 8.276 0.000 . 1 . . . . . 804 E H . 52907 1 273 . 1 . 1 30 30 GLU HA H 1 4.014 0.000 . 1 . . . . . 804 E HA . 52907 1 274 . 1 . 1 30 30 GLU HB2 H 1 2.167 0.000 . 1 . . . . . 804 E HB2 . 52907 1 275 . 1 . 1 30 30 GLU HB3 H 1 1.902 0.000 . 1 . . . . . 804 E HB3 . 52907 1 276 . 1 . 1 30 30 GLU HG2 H 1 2.414 0.000 . 1 . . . . . 804 E HG2 . 52907 1 277 . 1 . 1 30 30 GLU HG3 H 1 2.782 0.000 . 1 . . . . . 804 E HG3 . 52907 1 278 . 1 . 1 30 30 GLU C C 13 177.106 0.000 . 1 . . . . . 804 E C . 52907 1 279 . 1 . 1 30 30 GLU CA C 13 58.899 0.000 . 1 . . . . . 804 E CA . 52907 1 280 . 1 . 1 30 30 GLU CB C 13 30.177 0.000 . 1 . . . . . 804 E CB . 52907 1 281 . 1 . 1 30 30 GLU CG C 13 37.219 0.000 . 1 . . . . . 804 E CG . 52907 1 282 . 1 . 1 30 30 GLU N N 15 128.321 0.000 . 1 . . . . . 804 E N . 52907 1 283 . 1 . 1 31 31 GLY H H 1 9.639 0.000 . 1 . . . . . 805 G H . 52907 1 284 . 1 . 1 31 31 GLY HA2 H 1 4.051 0.000 . 1 . . . . . 805 G HA2 . 52907 1 285 . 1 . 1 31 31 GLY HA3 H 1 3.967 0.000 . 1 . . . . . 805 G HA3 . 52907 1 286 . 1 . 1 31 31 GLY C C 13 173.571 0.000 . 1 . . . . . 805 G C . 52907 1 287 . 1 . 1 31 31 GLY CA C 13 46.272 0.000 . 1 . . . . . 805 G CA . 52907 1 288 . 1 . 1 31 31 GLY N N 15 111.751 0.000 . 1 . . . . . 805 G N . 52907 1 289 . 1 . 1 33 33 LYS HA H 1 3.979 0.000 . 1 . . . . . 807 K HA . 52907 1 290 . 1 . 1 33 33 LYS HB2 H 1 2.041 0.000 . 1 . . . . . 807 K HB2 . 52907 1 291 . 1 . 1 33 33 LYS HB3 H 1 2.007 0.000 . 1 . . . . . 807 K HB3 . 52907 1 292 . 1 . 1 33 33 LYS HG2 H 1 1.173 0.000 . 1 . . . . . 807 K HG2 . 52907 1 293 . 1 . 1 33 33 LYS HG3 H 1 1.32 0.000 . 1 . . . . . 807 K HG3 . 52907 1 294 . 1 . 1 33 33 LYS HD2 H 1 1.436 0.000 . 1 . . . . . 807 K HD2 . 52907 1 295 . 1 . 1 33 33 LYS HD3 H 1 1.644 0.000 . 1 . . . . . 807 K HD3 . 52907 1 296 . 1 . 1 33 33 LYS HE2 H 1 2.93 0.000 . 1 . . . . . 807 K QE . 52907 1 297 . 1 . 1 33 33 LYS HE3 H 1 2.93 0.000 . 1 . . . . . 807 K QE . 52907 1 298 . 1 . 1 33 33 LYS C C 13 175.664 0.000 . 1 . . . . . 807 K C . 52907 1 299 . 1 . 1 33 33 LYS CA C 13 56.971 0.000 . 1 . . . . . 807 K CA . 52907 1 300 . 1 . 1 33 33 LYS CB C 13 28.448 0.000 . 1 . . . . . 807 K CB . 52907 1 301 . 1 . 1 33 33 LYS CG C 13 24.903 0.000 . 1 . . . . . 807 K CG . 52907 1 302 . 1 . 1 33 33 LYS CD C 13 28.242 0.000 . 1 . . . . . 807 K CD . 52907 1 303 . 1 . 1 33 33 LYS CE C 13 42.054 0.000 . 1 . . . . . 807 K CE . 52907 1 304 . 1 . 1 34 34 THR H H 1 7.557 0.000 . 1 . . . . . 808 T H . 52907 1 305 . 1 . 1 34 34 THR HA H 1 4.972 0.000 . 1 . . . . . 808 T HA . 52907 1 306 . 1 . 1 34 34 THR HB H 1 4.163 0.000 . 1 . . . . . 808 T HB . 52907 1 307 . 1 . 1 34 34 THR HG21 H 1 1.205 0.000 . 1 . . . . . 808 T QG2 . 52907 1 308 . 1 . 1 34 34 THR HG22 H 1 1.205 0.000 . 1 . . . . . 808 T QG2 . 52907 1 309 . 1 . 1 34 34 THR HG23 H 1 1.205 0.000 . 1 . . . . . 808 T QG2 . 52907 1 310 . 1 . 1 34 34 THR C C 13 172.803 0.000 . 1 . . . . . 808 T C . 52907 1 311 . 1 . 1 34 34 THR CA C 13 61.233 0.000 . 1 . . . . . 808 T CA . 52907 1 312 . 1 . 1 34 34 THR CB C 13 72.549 0.000 . 1 . . . . . 808 T CB . 52907 1 313 . 1 . 1 34 34 THR CG2 C 13 22.188 0.000 . 1 . . . . . 808 T CG2 . 52907 1 314 . 1 . 1 34 34 THR N N 15 109.791 0.000 . 1 . . . . . 808 T N . 52907 1 315 . 1 . 1 35 35 TRP H H 1 8.832 0.000 . 1 . . . . . 809 W H . 52907 1 316 . 1 . 1 35 35 TRP HA H 1 5.405 0.000 . 1 . . . . . 809 W HA . 52907 1 317 . 1 . 1 35 35 TRP HB2 H 1 3.588 0.000 . 1 . . . . . 809 W HB2 . 52907 1 318 . 1 . 1 35 35 TRP HB3 H 1 2.581 0.000 . 1 . . . . . 809 W HB3 . 52907 1 319 . 1 . 1 35 35 TRP HD1 H 1 7.607 0.000 . 1 . . . . . 809 W HD1 . 52907 1 320 . 1 . 1 35 35 TRP HE1 H 1 10.32 0.000 . 1 . . . . . 809 W HE1 . 52907 1 321 . 1 . 1 35 35 TRP HE3 H 1 7.139 0.000 . 1 . . . . . 809 W HE3 . 52907 1 322 . 1 . 1 35 35 TRP HZ2 H 1 7.127 0.000 . 1 . . . . . 809 W HZ2 . 52907 1 323 . 1 . 1 35 35 TRP HZ3 H 1 6.488 0.000 . 1 . . . . . 809 W HZ3 . 52907 1 324 . 1 . 1 35 35 TRP HH2 H 1 6.625 0.000 . 1 . . . . . 809 W HH2 . 52907 1 325 . 1 . 1 35 35 TRP C C 13 175.071 0.000 . 1 . . . . . 809 W C . 52907 1 326 . 1 . 1 35 35 TRP CA C 13 56.424 0.000 . 1 . . . . . 809 W CA . 52907 1 327 . 1 . 1 35 35 TRP CB C 13 30.458 0.000 . 1 . . . . . 809 W CB . 52907 1 328 . 1 . 1 35 35 TRP CD1 C 13 127.368 0.000 . 1 . . . . . 809 W CD1 . 52907 1 329 . 1 . 1 35 35 TRP CE3 C 13 121.114 0.000 . 1 . . . . . 809 W CE3 . 52907 1 330 . 1 . 1 35 35 TRP CZ2 C 13 114.551 0.000 . 1 . . . . . 809 W CZ2 . 52907 1 331 . 1 . 1 35 35 TRP CZ3 C 13 122.568 0.000 . 1 . . . . . 809 W CZ3 . 52907 1 332 . 1 . 1 35 35 TRP CH2 C 13 123.497 0.000 . 1 . . . . . 809 W CH2 . 52907 1 333 . 1 . 1 35 35 TRP N N 15 119.372 0.000 . 1 . . . . . 809 W N . 52907 1 334 . 1 . 1 35 35 TRP NE1 N 15 130.937 0.000 . 1 . . . . . 809 W NE1 . 52907 1 335 . 1 . 1 36 36 GLN H H 1 9.174 0.000 . 1 . . . . . 810 Q H . 52907 1 336 . 1 . 1 36 36 GLN HA H 1 4.458 0.000 . 1 . . . . . 810 Q HA . 52907 1 337 . 1 . 1 36 36 GLN HB2 H 1 2.528 0.000 . 1 . . . . . 810 Q HB2 . 52907 1 338 . 1 . 1 36 36 GLN HB3 H 1 1.9 0.000 . 1 . . . . . 810 Q HB3 . 52907 1 339 . 1 . 1 36 36 GLN HG2 H 1 2.558 0.000 . 1 . . . . . 810 Q HG2 . 52907 1 340 . 1 . 1 36 36 GLN HG3 H 1 3.128 0.000 . 1 . . . . . 810 Q HG3 . 52907 1 341 . 1 . 1 36 36 GLN HE21 H 1 5.805 0.000 . 2 . . . . . 810 Q HE21 . 52907 1 342 . 1 . 1 36 36 GLN HE22 H 1 8.029 0.000 . 2 . . . . . 810 Q HE22 . 52907 1 343 . 1 . 1 36 36 GLN C C 13 176.095 0.000 . 1 . . . . . 810 Q C . 52907 1 344 . 1 . 1 36 36 GLN CA C 13 55.241 0.000 . 1 . . . . . 810 Q CA . 52907 1 345 . 1 . 1 36 36 GLN CB C 13 33.458 0.000 . 1 . . . . . 810 Q CB . 52907 1 346 . 1 . 1 36 36 GLN CG C 13 36.704 0.000 . 1 . . . . . 810 Q CG . 52907 1 347 . 1 . 1 36 36 GLN N N 15 119.489 0.000 . 1 . . . . . 810 Q N . 52907 1 348 . 1 . 1 36 36 GLN NE2 N 15 113.9 0.000 . 1 . . . . . 810 Q NE2 . 52907 1 349 . 1 . 1 37 37 HIS H H 1 9.201 0.000 . 1 . . . . . 811 H H . 52907 1 350 . 1 . 1 37 37 HIS HA H 1 4.876 0.000 . 1 . . . . . 811 H HA . 52907 1 351 . 1 . 1 37 37 HIS HB2 H 1 3.347 0.000 . 1 . . . . . 811 H QB . 52907 1 352 . 1 . 1 37 37 HIS HB3 H 1 3.347 0.000 . 1 . . . . . 811 H QB . 52907 1 353 . 1 . 1 37 37 HIS HD2 H 1 6.435 0.000 . 1 . . . . . 811 H HD2 . 52907 1 354 . 1 . 1 37 37 HIS HE1 H 1 7.329 0.000 . 1 . . . . . 811 H HE1 . 52907 1 355 . 1 . 1 37 37 HIS C C 13 177.339 0.000 . 1 . . . . . 811 H C . 52907 1 356 . 1 . 1 37 37 HIS CA C 13 56.795 0.000 . 1 . . . . . 811 H CA . 52907 1 357 . 1 . 1 37 37 HIS CB C 13 29.727 0.000 . 1 . . . . . 811 H CB . 52907 1 358 . 1 . 1 37 37 HIS CD2 C 13 117.649 0.000 . 1 . . . . . 811 H CD2 . 52907 1 359 . 1 . 1 37 37 HIS CE1 C 13 137.57 0.000 . 1 . . . . . 811 H CE1 . 52907 1 360 . 1 . 1 37 37 HIS N N 15 122.189 0.000 . 1 . . . . . 811 H N . 52907 1 361 . 1 . 1 38 38 MET H H 1 9.22 0.000 . 1 . . . . . 812 M H . 52907 1 362 . 1 . 1 38 38 MET HA H 1 3.45 0.000 . 1 . . . . . 812 M HA . 52907 1 363 . 1 . 1 38 38 MET HB2 H 1 1.893 0.000 . 1 . . . . . 812 M HB2 . 52907 1 364 . 1 . 1 38 38 MET HB3 H 1 1.65 0.000 . 1 . . . . . 812 M HB3 . 52907 1 365 . 1 . 1 38 38 MET HG2 H 1 2.069 0.000 . 1 . . . . . 812 M HG2 . 52907 1 366 . 1 . 1 38 38 MET HG3 H 1 1.769 0.000 . 1 . . . . . 812 M HG3 . 52907 1 367 . 1 . 1 38 38 MET HE1 H 1 1.72 0.000 . 1 . . . . . 812 M HE# . 52907 1 368 . 1 . 1 38 38 MET HE2 H 1 1.72 0.000 . 1 . . . . . 812 M HE# . 52907 1 369 . 1 . 1 38 38 MET HE3 H 1 1.72 0.000 . 1 . . . . . 812 M HE# . 52907 1 370 . 1 . 1 38 38 MET C C 13 178.619 0.000 . 1 . . . . . 812 M C . 52907 1 371 . 1 . 1 38 38 MET CA C 13 62.032 0.000 . 1 . . . . . 812 M CA . 52907 1 372 . 1 . 1 38 38 MET CB C 13 32.48 0.000 . 1 . . . . . 812 M CB . 52907 1 373 . 1 . 1 38 38 MET CG C 13 35.103 0.000 . 1 . . . . . 812 M CG . 52907 1 374 . 1 . 1 38 38 MET CE C 13 18.455 0.000 . 1 . . . . . 812 M CE . 52907 1 375 . 1 . 1 38 38 MET N N 15 124.032 0.000 . 1 . . . . . 812 M N . 52907 1 376 . 1 . 1 39 39 ALA H H 1 9.363 0.000 . 1 . . . . . 813 A H . 52907 1 377 . 1 . 1 39 39 ALA HA H 1 4.259 0.000 . 1 . . . . . 813 A HA . 52907 1 378 . 1 . 1 39 39 ALA HB1 H 1 1.429 0.000 . 1 . . . . . 813 A HB# . 52907 1 379 . 1 . 1 39 39 ALA HB2 H 1 1.429 0.000 . 1 . . . . . 813 A HB# . 52907 1 380 . 1 . 1 39 39 ALA HB3 H 1 1.429 0.000 . 1 . . . . . 813 A HB# . 52907 1 381 . 1 . 1 39 39 ALA C C 13 181.34 0.000 . 1 . . . . . 813 A C . 52907 1 382 . 1 . 1 39 39 ALA CA C 13 55.294 0.000 . 1 . . . . . 813 A CA . 52907 1 383 . 1 . 1 39 39 ALA CB C 13 17.955 0.000 . 1 . . . . . 813 A CB . 52907 1 384 . 1 . 1 39 39 ALA N N 15 119.816 0.000 . 1 . . . . . 813 A N . 52907 1 385 . 1 . 1 40 40 CYS H H 1 7.059 0.000 . 1 . . . . . 814 C H . 52907 1 386 . 1 . 1 40 40 CYS HA H 1 3.942 0.000 . 1 . . . . . 814 C HA . 52907 1 387 . 1 . 1 40 40 CYS HB2 H 1 3.17 0.000 . 1 . . . . . 814 C HB2 . 52907 1 388 . 1 . 1 40 40 CYS HB3 H 1 3.003 0.000 . 1 . . . . . 814 C HB3 . 52907 1 389 . 1 . 1 40 40 CYS C C 13 175.304 0.000 . 1 . . . . . 814 C C . 52907 1 390 . 1 . 1 40 40 CYS CA C 13 62.61 0.000 . 1 . . . . . 814 C CA . 52907 1 391 . 1 . 1 40 40 CYS CB C 13 28.999 0.000 . 1 . . . . . 814 C CB . 52907 1 392 . 1 . 1 40 40 CYS N N 15 118.808 0.000 . 1 . . . . . 814 C N . 52907 1 393 . 1 . 1 41 41 MET H H 1 7.118 0.000 . 1 . . . . . 815 M H . 52907 1 394 . 1 . 1 41 41 MET HA H 1 5.051 0.000 . 1 . . . . . 815 M HA . 52907 1 395 . 1 . 1 41 41 MET HB2 H 1 2.86 0.000 . 1 . . . . . 815 M HB2 . 52907 1 396 . 1 . 1 41 41 MET HB3 H 1 2.517 0.000 . 1 . . . . . 815 M HB3 . 52907 1 397 . 1 . 1 41 41 MET HG2 H 1 1.883 0.000 . 1 . . . . . 815 M HG2 . 52907 1 398 . 1 . 1 41 41 MET HG3 H 1 3.16 0.000 . 1 . . . . . 815 M HG3 . 52907 1 399 . 1 . 1 41 41 MET HE1 H 1 2.404 0.000 . 1 . . . . . 815 M HE# . 52907 1 400 . 1 . 1 41 41 MET HE2 H 1 2.404 0.000 . 1 . . . . . 815 M HE# . 52907 1 401 . 1 . 1 41 41 MET HE3 H 1 2.404 0.000 . 1 . . . . . 815 M HE# . 52907 1 402 . 1 . 1 41 41 MET C C 13 177.374 0.000 . 1 . . . . . 815 M C . 52907 1 403 . 1 . 1 41 41 MET CA C 13 52.06 0.000 . 1 . . . . . 815 M CA . 52907 1 404 . 1 . 1 41 41 MET CB C 13 29.992 0.000 . 1 . . . . . 815 M CB . 52907 1 405 . 1 . 1 41 41 MET CG C 13 30.119 0.000 . 1 . . . . . 815 M CG . 52907 1 406 . 1 . 1 41 41 MET CE C 13 15.4 0.000 . 1 . . . . . 815 M CE . 52907 1 407 . 1 . 1 41 41 MET N N 15 110.433 0.000 . 1 . . . . . 815 M N . 52907 1 408 . 1 . 1 42 42 GLY H H 1 7.824 0.000 . 1 . . . . . 816 G H . 52907 1 409 . 1 . 1 42 42 GLY HA2 H 1 3.919 0.000 . 1 . . . . . 816 G HA2 . 52907 1 410 . 1 . 1 42 42 GLY HA3 H 1 3.996 0.000 . 1 . . . . . 816 G HA3 . 52907 1 411 . 1 . 1 42 42 GLY C C 13 173.431 0.000 . 1 . . . . . 816 G C . 52907 1 412 . 1 . 1 42 42 GLY CA C 13 46.048 0.000 . 1 . . . . . 816 G CA . 52907 1 413 . 1 . 1 42 42 GLY N N 15 106.91 0.000 . 1 . . . . . 816 G N . 52907 1 414 . 1 . 1 43 43 LEU H H 1 7.698 0.000 . 1 . . . . . 817 L H . 52907 1 415 . 1 . 1 43 43 LEU HA H 1 4.691 0.000 . 1 . . . . . 817 L HA . 52907 1 416 . 1 . 1 43 43 LEU HB2 H 1 1.433 0.000 . 1 . . . . . 817 L HB2 . 52907 1 417 . 1 . 1 43 43 LEU HB3 H 1 1.136 0.000 . 1 . . . . . 817 L HB3 . 52907 1 418 . 1 . 1 43 43 LEU HG H 1 1.44 0.000 . 1 . . . . . 817 L HG . 52907 1 419 . 1 . 1 43 43 LEU HD11 H 1 0.595 0.000 . 2 . . . . . 817 L QD1 . 52907 1 420 . 1 . 1 43 43 LEU HD12 H 1 0.595 0.000 . 2 . . . . . 817 L QD1 . 52907 1 421 . 1 . 1 43 43 LEU HD13 H 1 0.595 0.000 . 2 . . . . . 817 L QD1 . 52907 1 422 . 1 . 1 43 43 LEU HD21 H 1 0.801 0.000 . 2 . . . . . 817 L QD2 . 52907 1 423 . 1 . 1 43 43 LEU HD22 H 1 0.801 0.000 . 2 . . . . . 817 L QD2 . 52907 1 424 . 1 . 1 43 43 LEU HD23 H 1 0.801 0.000 . 2 . . . . . 817 L QD2 . 52907 1 425 . 1 . 1 43 43 LEU C C 13 175.92 0.000 . 1 . . . . . 817 L C . 52907 1 426 . 1 . 1 43 43 LEU CA C 13 53.146 0.000 . 1 . . . . . 817 L CA . 52907 1 427 . 1 . 1 43 43 LEU CB C 13 45.473 0.000 . 1 . . . . . 817 L CB . 52907 1 428 . 1 . 1 43 43 LEU CG C 13 26.687 0.000 . 1 . . . . . 817 L CG . 52907 1 429 . 1 . 1 43 43 LEU CD1 C 13 27.392 0.000 . 2 . . . . . 817 L CD1 . 52907 1 430 . 1 . 1 43 43 LEU CD2 C 13 22.502 0.000 . 2 . . . . . 817 L CD2 . 52907 1 431 . 1 . 1 43 43 LEU N N 15 118.965 0.000 . 1 . . . . . 817 L N . 52907 1 432 . 1 . 1 44 44 THR H H 1 8.609 0.000 . 1 . . . . . 818 T H . 52907 1 433 . 1 . 1 44 44 THR HA H 1 4.609 0.000 . 1 . . . . . 818 T HA . 52907 1 434 . 1 . 1 44 44 THR HB H 1 4.493 0.000 . 1 . . . . . 818 T HB . 52907 1 435 . 1 . 1 44 44 THR HG21 H 1 1.111 0.000 . 1 . . . . . 818 T QG2 . 52907 1 436 . 1 . 1 44 44 THR HG22 H 1 1.111 0.000 . 1 . . . . . 818 T QG2 . 52907 1 437 . 1 . 1 44 44 THR HG23 H 1 1.111 0.000 . 1 . . . . . 818 T QG2 . 52907 1 438 . 1 . 1 44 44 THR C C 13 175.222 0.000 . 1 . . . . . 818 T C . 52907 1 439 . 1 . 1 44 44 THR CA C 13 59.875 0.000 . 1 . . . . . 818 T CA . 52907 1 440 . 1 . 1 44 44 THR CB C 13 72.495 0.000 . 1 . . . . . 818 T CB . 52907 1 441 . 1 . 1 44 44 THR CG2 C 13 20.921 0.000 . 1 . . . . . 818 T CG2 . 52907 1 442 . 1 . 1 44 44 THR N N 15 110.841 0.000 . 1 . . . . . 818 T N . 52907 1 443 . 1 . 1 45 45 LEU H H 1 8.399 0.000 . 1 . . . . . 819 L H . 52907 1 444 . 1 . 1 45 45 LEU HA H 1 4.063 0.000 . 1 . . . . . 819 L HA . 52907 1 445 . 1 . 1 45 45 LEU HB2 H 1 1.578 0.000 . 1 . . . . . 819 L HB2 . 52907 1 446 . 1 . 1 45 45 LEU HB3 H 1 1.684 0.000 . 1 . . . . . 819 L HB3 . 52907 1 447 . 1 . 1 45 45 LEU HG H 1 1.672 0.000 . 1 . . . . . 819 L HG . 52907 1 448 . 1 . 1 45 45 LEU HD11 H 1 0.806 0.000 . 2 . . . . . 819 L QD1 . 52907 1 449 . 1 . 1 45 45 LEU HD12 H 1 0.806 0.000 . 2 . . . . . 819 L QD1 . 52907 1 450 . 1 . 1 45 45 LEU HD13 H 1 0.806 0.000 . 2 . . . . . 819 L QD1 . 52907 1 451 . 1 . 1 45 45 LEU HD21 H 1 0.872 0.000 . 2 . . . . . 819 L QD2 . 52907 1 452 . 1 . 1 45 45 LEU HD22 H 1 0.872 0.000 . 2 . . . . . 819 L QD2 . 52907 1 453 . 1 . 1 45 45 LEU HD23 H 1 0.872 0.000 . 2 . . . . . 819 L QD2 . 52907 1 454 . 1 . 1 45 45 LEU C C 13 177.618 0.000 . 1 . . . . . 819 L C . 52907 1 455 . 1 . 1 45 45 LEU CA C 13 57.103 0.000 . 1 . . . . . 819 L CA . 52907 1 456 . 1 . 1 45 45 LEU CB C 13 41.366 0.000 . 1 . . . . . 819 L CB . 52907 1 457 . 1 . 1 45 45 LEU CG C 13 27.495 0.000 . 1 . . . . . 819 L CG . 52907 1 458 . 1 . 1 45 45 LEU CD1 C 13 23.033 0.000 . 2 . . . . . 819 L CD1 . 52907 1 459 . 1 . 1 45 45 LEU CD2 C 13 25.431 0.000 . 2 . . . . . 819 L CD2 . 52907 1 460 . 1 . 1 45 45 LEU N N 15 118.897 0.000 . 1 . . . . . 819 L N . 52907 1 461 . 1 . 1 46 46 LYS H H 1 7.879 0.000 . 1 . . . . . 820 K H . 52907 1 462 . 1 . 1 46 46 LYS HA H 1 4.315 0.000 . 1 . . . . . 820 K HA . 52907 1 463 . 1 . 1 46 46 LYS HB2 H 1 1.519 0.000 . 1 . . . . . 820 K HB2 . 52907 1 464 . 1 . 1 46 46 LYS HB3 H 1 1.911 0.000 . 1 . . . . . 820 K HB3 . 52907 1 465 . 1 . 1 46 46 LYS HG2 H 1 1.324 0.000 . 1 . . . . . 820 K HG2 . 52907 1 466 . 1 . 1 46 46 LYS HG3 H 1 1.401 0.000 . 1 . . . . . 820 K HG3 . 52907 1 467 . 1 . 1 46 46 LYS HD2 H 1 1.6 0.000 . 1 . . . . . 820 K QD . 52907 1 468 . 1 . 1 46 46 LYS HD3 H 1 1.6 0.000 . 1 . . . . . 820 K QD . 52907 1 469 . 1 . 1 46 46 LYS C C 13 177.083 0.000 . 1 . . . . . 820 K C . 52907 1 470 . 1 . 1 46 46 LYS CA C 13 55.759 0.000 . 1 . . . . . 820 K CA . 52907 1 471 . 1 . 1 46 46 LYS CB C 13 32.749 0.000 . 1 . . . . . 820 K CB . 52907 1 472 . 1 . 1 46 46 LYS CG C 13 25.135 0.000 . 1 . . . . . 820 K CG . 52907 1 473 . 1 . 1 46 46 LYS CD C 13 28.991 0.000 . 1 . . . . . 820 K CD . 52907 1 474 . 1 . 1 46 46 LYS N N 15 116.024 0.000 . 1 . . . . . 820 K N . 52907 1 475 . 1 . 1 47 47 SER H H 1 7.696 0.000 . 1 . . . . . 821 S H . 52907 1 476 . 1 . 1 47 47 SER HA H 1 4.242 0.000 . 1 . . . . . 821 S HA . 52907 1 477 . 1 . 1 47 47 SER HB2 H 1 3.722 0.000 . 1 . . . . . 821 S HB2 . 52907 1 478 . 1 . 1 47 47 SER HB3 H 1 3.908 0.000 . 1 . . . . . 821 S HB3 . 52907 1 479 . 1 . 1 47 47 SER C C 13 172.407 0.000 . 1 . . . . . 821 S C . 52907 1 480 . 1 . 1 47 47 SER CA C 13 59.935 0.000 . 1 . . . . . 821 S CA . 52907 1 481 . 1 . 1 47 47 SER CB C 13 63.718 0.000 . 1 . . . . . 821 S CB . 52907 1 482 . 1 . 1 47 47 SER N N 15 117.993 0.000 . 1 . . . . . 821 S N . 52907 1 483 . 1 . 1 49 49 THR HA H 1 4.237 0.000 . 1 . . . . . 823 T HA . 52907 1 484 . 1 . 1 49 49 THR HB H 1 4.409 0.000 . 1 . . . . . 823 T HB . 52907 1 485 . 1 . 1 49 49 THR HG21 H 1 0.882 0.000 . 1 . . . . . 823 T QG2 . 52907 1 486 . 1 . 1 49 49 THR HG22 H 1 0.882 0.000 . 1 . . . . . 823 T QG2 . 52907 1 487 . 1 . 1 49 49 THR HG23 H 1 0.882 0.000 . 1 . . . . . 823 T QG2 . 52907 1 488 . 1 . 1 49 49 THR C C 13 174.606 0.000 . 1 . . . . . 823 T C . 52907 1 489 . 1 . 1 49 49 THR CA C 13 61.043 0.000 . 1 . . . . . 823 T CA . 52907 1 490 . 1 . 1 49 49 THR CB C 13 68.28 0.000 . 1 . . . . . 823 T CB . 52907 1 491 . 1 . 1 49 49 THR CG2 C 13 21.65 0.000 . 1 . . . . . 823 T CG2 . 52907 1 492 . 1 . 1 50 50 SER H H 1 8.135 0.000 . 1 . . . . . 824 S H . 52907 1 493 . 1 . 1 50 50 SER HA H 1 4.156 0.000 . 1 . . . . . 824 S HA . 52907 1 494 . 1 . 1 50 50 SER HB2 H 1 3.924 0.000 . 1 . . . . . 824 S HB2 . 52907 1 495 . 1 . 1 50 50 SER HB3 H 1 3.842 0.000 . 1 . . . . . 824 S HB3 . 52907 1 496 . 1 . 1 50 50 SER C C 13 174.664 0.000 . 1 . . . . . 824 S C . 52907 1 497 . 1 . 1 50 50 SER CA C 13 60.897 0.000 . 1 . . . . . 824 S CA . 52907 1 498 . 1 . 1 50 50 SER CB C 13 63.145 0.000 . 1 . . . . . 824 S CB . 52907 1 499 . 1 . 1 50 50 SER N N 15 119.175 0.000 . 1 . . . . . 824 S N . 52907 1 500 . 1 . 1 51 51 LYS H H 1 8.382 0.000 . 1 . . . . . 825 K H . 52907 1 501 . 1 . 1 51 51 LYS HA H 1 4.582 0.000 . 1 . . . . . 825 K HA . 52907 1 502 . 1 . 1 51 51 LYS HB2 H 1 1.708 0.000 . 1 . . . . . 825 K HB2 . 52907 1 503 . 1 . 1 51 51 LYS HB3 H 1 1.82 0.000 . 1 . . . . . 825 K HB3 . 52907 1 504 . 1 . 1 51 51 LYS HG2 H 1 1.303 0.000 . 1 . . . . . 825 K HG2 . 52907 1 505 . 1 . 1 51 51 LYS HG3 H 1 1.36 0.000 . 1 . . . . . 825 K HG3 . 52907 1 506 . 1 . 1 51 51 LYS HD2 H 1 1.597 0.000 . 1 . . . . . 825 K HD2 . 52907 1 507 . 1 . 1 51 51 LYS HD3 H 1 1.651 0.000 . 1 . . . . . 825 K HD3 . 52907 1 508 . 1 . 1 51 51 LYS HE2 H 1 2.923 0.000 . 1 . . . . . 825 K QE . 52907 1 509 . 1 . 1 51 51 LYS HE3 H 1 2.923 0.000 . 1 . . . . . 825 K QE . 52907 1 510 . 1 . 1 51 51 LYS C C 13 175.536 0.000 . 1 . . . . . 825 K C . 52907 1 511 . 1 . 1 51 51 LYS CA C 13 55.772 0.000 . 1 . . . . . 825 K CA . 52907 1 512 . 1 . 1 51 51 LYS CB C 13 31.706 0.000 . 1 . . . . . 825 K CB . 52907 1 513 . 1 . 1 51 51 LYS CG C 13 24.869 0.000 . 1 . . . . . 825 K CG . 52907 1 514 . 1 . 1 51 51 LYS CD C 13 29.179 0.000 . 1 . . . . . 825 K CD . 52907 1 515 . 1 . 1 51 51 LYS CE C 13 41.874 0.000 . 1 . . . . . 825 K CE . 52907 1 516 . 1 . 1 51 51 LYS N N 15 121.606 0.000 . 1 . . . . . 825 K N . 52907 1 517 . 1 . 1 52 52 TYR H H 1 7.721 0.000 . 1 . . . . . 826 Y H . 52907 1 518 . 1 . 1 52 52 TYR HA H 1 4.216 0.000 . 1 . . . . . 826 Y HA . 52907 1 519 . 1 . 1 52 52 TYR HB2 H 1 2.414 0.000 . 1 . . . . . 826 Y HB2 . 52907 1 520 . 1 . 1 52 52 TYR HB3 H 1 2.972 0.000 . 1 . . . . . 826 Y HB3 . 52907 1 521 . 1 . 1 52 52 TYR HD1 H 1 7.004 0.000 . 3 . . . . . 826 Y QD . 52907 1 522 . 1 . 1 52 52 TYR HD2 H 1 7.004 0.000 . 3 . . . . . 826 Y QD . 52907 1 523 . 1 . 1 52 52 TYR HE1 H 1 6.339 0.000 . 3 . . . . . 826 Y QE . 52907 1 524 . 1 . 1 52 52 TYR HE2 H 1 6.339 0.000 . 3 . . . . . 826 Y QE . 52907 1 525 . 1 . 1 52 52 TYR C C 13 173.152 0.000 . 1 . . . . . 826 Y C . 52907 1 526 . 1 . 1 52 52 TYR CA C 13 59.923 0.000 . 1 . . . . . 826 Y CA . 52907 1 527 . 1 . 1 52 52 TYR CB C 13 39.925 0.000 . 1 . . . . . 826 Y CB . 52907 1 528 . 1 . 1 52 52 TYR CD1 C 13 132.579 0.000 . 1 . . . . . 826 Y CD1 . 52907 1 529 . 1 . 1 52 52 TYR CE2 C 13 116.754 0.000 . 1 . . . . . 826 Y CE2 . 52907 1 530 . 1 . 1 52 52 TYR N N 15 123.336 0.000 . 1 . . . . . 826 Y N . 52907 1 531 . 1 . 1 53 53 LYS H H 1 6.887 0.000 . 1 . . . . . 827 K H . 52907 1 532 . 1 . 1 53 53 LYS HA H 1 4.901 0.000 . 1 . . . . . 827 K HA . 52907 1 533 . 1 . 1 53 53 LYS HB2 H 1 1.54 0.000 . 1 . . . . . 827 K HB2 . 52907 1 534 . 1 . 1 53 53 LYS HB3 H 1 1.312 0.000 . 1 . . . . . 827 K HB3 . 52907 1 535 . 1 . 1 53 53 LYS HG2 H 1 1.449 0.000 . 1 . . . . . 827 K HG2 . 52907 1 536 . 1 . 1 53 53 LYS HG3 H 1 1.238 0.000 . 1 . . . . . 827 K HG3 . 52907 1 537 . 1 . 1 53 53 LYS HD2 H 1 1.393 0.000 . 1 . . . . . 827 K HD2 . 52907 1 538 . 1 . 1 53 53 LYS HD3 H 1 1.49 0.000 . 1 . . . . . 827 K HD3 . 52907 1 539 . 1 . 1 53 53 LYS HE2 H 1 2.707 0.000 . 1 . . . . . 827 K HE2 . 52907 1 540 . 1 . 1 53 53 LYS HE3 H 1 2.803 0.000 . 1 . . . . . 827 K HE3 . 52907 1 541 . 1 . 1 53 53 LYS C C 13 175.455 0.000 . 1 . . . . . 827 K C . 52907 1 542 . 1 . 1 53 53 LYS CA C 13 53.316 0.000 . 1 . . . . . 827 K CA . 52907 1 543 . 1 . 1 53 53 LYS CB C 13 39.546 0.000 . 1 . . . . . 827 K CB . 52907 1 544 . 1 . 1 53 53 LYS CG C 13 26.447 0.000 . 1 . . . . . 827 K CG . 52907 1 545 . 1 . 1 53 53 LYS CD C 13 30.202 0.000 . 1 . . . . . 827 K CD . 52907 1 546 . 1 . 1 53 53 LYS CE C 13 42.501 0.000 . 1 . . . . . 827 K CE . 52907 1 547 . 1 . 1 53 53 LYS N N 15 124.698 0.000 . 1 . . . . . 827 K N . 52907 1 548 . 1 . 1 54 54 CYS H H 1 10.173 0.000 . 1 . . . . . 828 C H . 52907 1 549 . 1 . 1 54 54 CYS HA H 1 4.41 0.000 . 1 . . . . . 828 C HA . 52907 1 550 . 1 . 1 54 54 CYS HB2 H 1 3.001 0.000 . 1 . . . . . 828 C HB2 . 52907 1 551 . 1 . 1 54 54 CYS HB3 H 1 2.929 0.000 . 1 . . . . . 828 C HB3 . 52907 1 552 . 1 . 1 54 54 CYS C C 13 173.256 0.000 . 1 . . . . . 828 C C . 52907 1 553 . 1 . 1 54 54 CYS CA C 13 58.579 0.000 . 1 . . . . . 828 C CA . 52907 1 554 . 1 . 1 54 54 CYS CB C 13 30.28 0.000 . 1 . . . . . 828 C CB . 52907 1 555 . 1 . 1 54 54 CYS N N 15 125.007 0.000 . 1 . . . . . 828 C N . 52907 1 556 . 1 . 1 55 55 GLU H H 1 10.338 0.000 . 1 . . . . . 829 E H . 52907 1 557 . 1 . 1 55 55 GLU HA H 1 4.33 0.000 . 1 . . . . . 829 E HA . 52907 1 558 . 1 . 1 55 55 GLU HB2 H 1 2.204 0.000 . 1 . . . . . 829 E HB2 . 52907 1 559 . 1 . 1 55 55 GLU HB3 H 1 1.761 0.000 . 1 . . . . . 829 E HB3 . 52907 1 560 . 1 . 1 55 55 GLU HG2 H 1 2.492 0.000 . 1 . . . . . 829 E HG2 . 52907 1 561 . 1 . 1 55 55 GLU HG3 H 1 2.156 0.000 . 1 . . . . . 829 E HG3 . 52907 1 562 . 1 . 1 55 55 GLU C C 13 175.99 0.000 . 1 . . . . . 829 E C . 52907 1 563 . 1 . 1 55 55 GLU CA C 13 56.839 0.000 . 1 . . . . . 829 E CA . 52907 1 564 . 1 . 1 55 55 GLU CB C 13 27.6 0.000 . 1 . . . . . 829 E CB . 52907 1 565 . 1 . 1 55 55 GLU CG C 13 35.558 0.000 . 1 . . . . . 829 E CG . 52907 1 566 . 1 . 1 55 55 GLU N N 15 122.075 0.000 . 1 . . . . . 829 E N . 52907 1 567 . 1 . 1 56 56 MET H H 1 8.519 0.000 . 1 . . . . . 830 M H . 52907 1 568 . 1 . 1 56 56 MET HA H 1 4.431 0.000 . 1 . . . . . 830 M HA . 52907 1 569 . 1 . 1 56 56 MET HB2 H 1 2.117 0.000 . 1 . . . . . 830 M HB2 . 52907 1 570 . 1 . 1 56 56 MET HB3 H 1 1.97 0.000 . 1 . . . . . 830 M HB3 . 52907 1 571 . 1 . 1 56 56 MET HG2 H 1 2.424 0.000 . 1 . . . . . 830 M HG2 . 52907 1 572 . 1 . 1 56 56 MET HG3 H 1 2.53 0.000 . 1 . . . . . 830 M HG3 . 52907 1 573 . 1 . 1 56 56 MET HE1 H 1 2.008 0.000 . 1 . . . . . 830 M HE# . 52907 1 574 . 1 . 1 56 56 MET HE2 H 1 2.008 0.000 . 1 . . . . . 830 M HE# . 52907 1 575 . 1 . 1 56 56 MET HE3 H 1 2.008 0.000 . 1 . . . . . 830 M HE# . 52907 1 576 . 1 . 1 56 56 MET C C 13 177.641 0.000 . 1 . . . . . 830 M C . 52907 1 577 . 1 . 1 56 56 MET CA C 13 57.014 0.000 . 1 . . . . . 830 M CA . 52907 1 578 . 1 . 1 56 56 MET CB C 13 32.12 0.000 . 1 . . . . . 830 M CB . 52907 1 579 . 1 . 1 56 56 MET CG C 13 32.691 0.000 . 1 . . . . . 830 M CG . 52907 1 580 . 1 . 1 56 56 MET CE C 13 17.394 0.000 . 1 . . . . . 830 M CE . 52907 1 581 . 1 . 1 56 56 MET N N 15 122.896 0.000 . 1 . . . . . 830 M N . 52907 1 582 . 1 . 1 57 57 CYS H H 1 7.823 0.000 . 1 . . . . . 831 C H . 52907 1 583 . 1 . 1 57 57 CYS HA H 1 3.84 0.000 . 1 . . . . . 831 C HA . 52907 1 584 . 1 . 1 57 57 CYS HB2 H 1 2.799 0.000 . 1 . . . . . 831 C HB2 . 52907 1 585 . 1 . 1 57 57 CYS HB3 H 1 2.629 0.000 . 1 . . . . . 831 C HB3 . 52907 1 586 . 1 . 1 57 57 CYS C C 13 175.466 0.000 . 1 . . . . . 831 C C . 52907 1 587 . 1 . 1 57 57 CYS CA C 13 63.432 0.000 . 1 . . . . . 831 C CA . 52907 1 588 . 1 . 1 57 57 CYS CB C 13 30.013 0.000 . 1 . . . . . 831 C CB . 52907 1 589 . 1 . 1 57 57 CYS N N 15 123.134 0.000 . 1 . . . . . 831 C N . 52907 1 590 . 1 . 1 58 58 LEU H H 1 8.111 0.000 . 1 . . . . . 832 L H . 52907 1 591 . 1 . 1 58 58 LEU HA H 1 4.494 0.000 . 1 . . . . . 832 L HA . 52907 1 592 . 1 . 1 58 58 LEU HB2 H 1 0.854 0.000 . 1 . . . . . 832 L HB2 . 52907 1 593 . 1 . 1 58 58 LEU HB3 H 1 1.456 0.000 . 1 . . . . . 832 L HB3 . 52907 1 594 . 1 . 1 58 58 LEU HG H 1 1.393 0.000 . 1 . . . . . 832 L HG . 52907 1 595 . 1 . 1 58 58 LEU HD11 H 1 0.786 0.000 . 2 . . . . . 832 L QD1 . 52907 1 596 . 1 . 1 58 58 LEU HD12 H 1 0.786 0.000 . 2 . . . . . 832 L QD1 . 52907 1 597 . 1 . 1 58 58 LEU HD13 H 1 0.786 0.000 . 2 . . . . . 832 L QD1 . 52907 1 598 . 1 . 1 58 58 LEU HD21 H 1 0.757 0.000 . 2 . . . . . 832 L QD2 . 52907 1 599 . 1 . 1 58 58 LEU HD22 H 1 0.757 0.000 . 2 . . . . . 832 L QD2 . 52907 1 600 . 1 . 1 58 58 LEU HD23 H 1 0.757 0.000 . 2 . . . . . 832 L QD2 . 52907 1 601 . 1 . 1 58 58 LEU C C 13 170.628 0.000 . 1 . . . . . 832 L C . 52907 1 602 . 1 . 1 58 58 LEU CA C 13 52.091 0.000 . 1 . . . . . 832 L CA . 52907 1 603 . 1 . 1 58 58 LEU CB C 13 43.444 0.000 . 1 . . . . . 832 L CB . 52907 1 604 . 1 . 1 58 58 LEU CG C 13 27.58 0.000 . 1 . . . . . 832 L CG . 52907 1 605 . 1 . 1 58 58 LEU CD1 C 13 24.054 0.000 . 2 . . . . . 832 L CD1 . 52907 1 606 . 1 . 1 58 58 LEU CD2 C 13 25.417 0.000 . 2 . . . . . 832 L CD2 . 52907 1 607 . 1 . 1 58 58 LEU N N 15 121.758 0.000 . 1 . . . . . 832 L N . 52907 1 608 . 1 . 1 59 59 PRO HA H 1 4.661 0.000 . 1 . . . . . 833 P HA . 52907 1 609 . 1 . 1 59 59 PRO HB2 H 1 2.214 0.000 . 1 . . . . . 833 P HB2 . 52907 1 610 . 1 . 1 59 59 PRO HB3 H 1 1.747 0.000 . 1 . . . . . 833 P HB3 . 52907 1 611 . 1 . 1 59 59 PRO HG2 H 1 1.791 0.000 . 1 . . . . . 833 P HG2 . 52907 1 612 . 1 . 1 59 59 PRO HG3 H 1 1.966 0.000 . 1 . . . . . 833 P HG3 . 52907 1 613 . 1 . 1 59 59 PRO HD2 H 1 3.432 0.000 . 1 . . . . . 833 P HD2 . 52907 1 614 . 1 . 1 59 59 PRO HD3 H 1 3.175 0.000 . 1 . . . . . 833 P HD3 . 52907 1 615 . 1 . 1 59 59 PRO C C 13 176.211 0.000 . 1 . . . . . 833 P C . 52907 1 616 . 1 . 1 59 59 PRO CA C 13 64.293 0.000 . 1 . . . . . 833 P CA . 52907 1 617 . 1 . 1 59 59 PRO CB C 13 31.69 0.000 . 1 . . . . . 833 P CB . 52907 1 618 . 1 . 1 59 59 PRO CG C 13 27.452 0.000 . 1 . . . . . 833 P CG . 52907 1 619 . 1 . 1 59 59 PRO CD C 13 50.102 0.000 . 1 . . . . . 833 P CD . 52907 1 620 . 1 . 1 60 60 ARG H H 1 7.41 0.000 . 1 . . . . . 834 R H . 52907 1 621 . 1 . 1 60 60 ARG HA H 1 4.447 0.000 . 1 . . . . . 834 R HA . 52907 1 622 . 1 . 1 60 60 ARG HB2 H 1 1.991 0.000 . 1 . . . . . 834 R HB2 . 52907 1 623 . 1 . 1 60 60 ARG HB3 H 1 1.603 0.000 . 1 . . . . . 834 R HB3 . 52907 1 624 . 1 . 1 60 60 ARG HG2 H 1 1.025 0.000 . 1 . . . . . 834 R HG2 . 52907 1 625 . 1 . 1 60 60 ARG HG3 H 1 1.591 0.000 . 1 . . . . . 834 R HG3 . 52907 1 626 . 1 . 1 60 60 ARG HD2 H 1 2.852 0.000 . 1 . . . . . 834 R HD2 . 52907 1 627 . 1 . 1 60 60 ARG HD3 H 1 3.051 0.000 . 1 . . . . . 834 R HD3 . 52907 1 628 . 1 . 1 60 60 ARG C C 13 173.012 0.000 . 1 . . . . . 834 R C . 52907 1 629 . 1 . 1 60 60 ARG CA C 13 54.132 0.000 . 1 . . . . . 834 R CA . 52907 1 630 . 1 . 1 60 60 ARG CB C 13 30.388 0.000 . 1 . . . . . 834 R CB . 52907 1 631 . 1 . 1 60 60 ARG CG C 13 25.27 0.000 . 1 . . . . . 834 R CG . 52907 1 632 . 1 . 1 60 60 ARG CD C 13 44.42 0.000 . 1 . . . . . 834 R CD . 52907 1 633 . 1 . 1 60 60 ARG N N 15 117.987 0.000 . 1 . . . . . 834 R N . 52907 1 634 . 1 . 1 61 61 ARG H H 1 8.406 0.000 . 1 . . . . . 835 R H . 52907 1 635 . 1 . 1 61 61 ARG HA H 1 4.315 0.000 . 1 . . . . . 835 R HA . 52907 1 636 . 1 . 1 61 61 ARG HB2 H 1 1.702 0.000 . 1 . . . . . 835 R HB2 . 52907 1 637 . 1 . 1 61 61 ARG HB3 H 1 1.654 0.000 . 1 . . . . . 835 R HB3 . 52907 1 638 . 1 . 1 61 61 ARG HG2 H 1 1.571 0.000 . 1 . . . . . 835 R HG2 . 52907 1 639 . 1 . 1 61 61 ARG HG3 H 1 1.639 0.000 . 1 . . . . . 835 R HG3 . 52907 1 640 . 1 . 1 61 61 ARG HD2 H 1 3.165 0.000 . 1 . . . . . 835 R QD . 52907 1 641 . 1 . 1 61 61 ARG HD3 H 1 3.165 0.000 . 1 . . . . . 835 R QD . 52907 1 642 . 1 . 1 61 61 ARG C C 13 176.153 0.000 . 1 . . . . . 835 R C . 52907 1 643 . 1 . 1 61 61 ARG CA C 13 55.676 0.000 . 1 . . . . . 835 R CA . 52907 1 644 . 1 . 1 61 61 ARG CB C 13 29.853 0.000 . 1 . . . . . 835 R CB . 52907 1 645 . 1 . 1 61 61 ARG CG C 13 26.961 0.000 . 1 . . . . . 835 R CG . 52907 1 646 . 1 . 1 61 61 ARG CD C 13 43.547 0.000 . 1 . . . . . 835 R CD . 52907 1 647 . 1 . 1 61 61 ARG N N 15 120.059 0.000 . 1 . . . . . 835 R N . 52907 1 648 . 1 . 1 62 62 LEU H H 1 8.868 0.000 . 1 . . . . . 836 L H . 52907 1 649 . 1 . 1 62 62 LEU HA H 1 4.627 0.000 . 1 . . . . . 836 L HA . 52907 1 650 . 1 . 1 62 62 LEU HB2 H 1 1.281 0.000 . 1 . . . . . 836 L HB2 . 52907 1 651 . 1 . 1 62 62 LEU HB3 H 1 1.772 0.000 . 1 . . . . . 836 L HB3 . 52907 1 652 . 1 . 1 62 62 LEU HG H 1 1.573 0.000 . 1 . . . . . 836 L HG . 52907 1 653 . 1 . 1 62 62 LEU HD11 H 1 0.872 0.000 . 2 . . . . . 836 L QD1 . 52907 1 654 . 1 . 1 62 62 LEU HD12 H 1 0.872 0.000 . 2 . . . . . 836 L QD1 . 52907 1 655 . 1 . 1 62 62 LEU HD13 H 1 0.872 0.000 . 2 . . . . . 836 L QD1 . 52907 1 656 . 1 . 1 62 62 LEU HD21 H 1 0.288 0.000 . 2 . . . . . 836 L QD2 . 52907 1 657 . 1 . 1 62 62 LEU HD22 H 1 0.288 0.000 . 2 . . . . . 836 L QD2 . 52907 1 658 . 1 . 1 62 62 LEU HD23 H 1 0.288 0.000 . 2 . . . . . 836 L QD2 . 52907 1 659 . 1 . 1 62 62 LEU CA C 13 52.452 0.000 . 1 . . . . . 836 L CA . 52907 1 660 . 1 . 1 62 62 LEU CB C 13 41.68 0.000 . 1 . . . . . 836 L CB . 52907 1 661 . 1 . 1 62 62 LEU CG C 13 27.016 0.000 . 1 . . . . . 836 L CG . 52907 1 662 . 1 . 1 62 62 LEU CD1 C 13 23.113 0.000 . 2 . . . . . 836 L CD1 . 52907 1 663 . 1 . 1 62 62 LEU CD2 C 13 24.258 0.000 . 2 . . . . . 836 L CD2 . 52907 1 664 . 1 . 1 62 62 LEU N N 15 128.317 0.000 . 1 . . . . . 836 L N . 52907 1 665 . 1 . 1 63 63 PRO HA H 1 4.472 0.000 . 1 . . . . . 837 P HA . 52907 1 666 . 1 . 1 63 63 PRO HB2 H 1 2.319 0.000 . 1 . . . . . 837 P HB2 . 52907 1 667 . 1 . 1 63 63 PRO HB3 H 1 2.128 0.000 . 1 . . . . . 837 P HB3 . 52907 1 668 . 1 . 1 63 63 PRO HG2 H 1 2.222 0.000 . 1 . . . . . 837 P HG2 . 52907 1 669 . 1 . 1 63 63 PRO HG3 H 1 1.87 0.000 . 1 . . . . . 837 P HG3 . 52907 1 670 . 1 . 1 63 63 PRO HD2 H 1 3.816 0.000 . 1 . . . . . 837 P HD2 . 52907 1 671 . 1 . 1 63 63 PRO HD3 H 1 3.484 0.000 . 1 . . . . . 837 P HD3 . 52907 1 672 . 1 . 1 63 63 PRO C C 13 174.885 0.000 . 1 . . . . . 837 P C . 52907 1 673 . 1 . 1 63 63 PRO CA C 13 64.093 0.000 . 1 . . . . . 837 P CA . 52907 1 674 . 1 . 1 63 63 PRO CB C 13 31.798 0.000 . 1 . . . . . 837 P CB . 52907 1 675 . 1 . 1 63 63 PRO CG C 13 27.675 0.000 . 1 . . . . . 837 P CG . 52907 1 676 . 1 . 1 63 63 PRO CD C 13 50.151 0.000 . 1 . . . . . 837 P CD . 52907 1 677 . 1 . 1 64 64 VAL H H 1 6.726 0.000 . 1 . . . . . 838 V H . 52907 1 678 . 1 . 1 64 64 VAL HA H 1 4.59 0.000 . 1 . . . . . 838 V HA . 52907 1 679 . 1 . 1 64 64 VAL HB H 1 2.206 0.000 . 1 . . . . . 838 V HB . 52907 1 680 . 1 . 1 64 64 VAL HG11 H 1 0.986 0.000 . 2 . . . . . 838 V QG1 . 52907 1 681 . 1 . 1 64 64 VAL HG12 H 1 0.986 0.000 . 2 . . . . . 838 V QG1 . 52907 1 682 . 1 . 1 64 64 VAL HG13 H 1 0.986 0.000 . 2 . . . . . 838 V QG1 . 52907 1 683 . 1 . 1 64 64 VAL HG21 H 1 1.022 0.000 . 2 . . . . . 838 V QG2 . 52907 1 684 . 1 . 1 64 64 VAL HG22 H 1 1.022 0.000 . 2 . . . . . 838 V QG2 . 52907 1 685 . 1 . 1 64 64 VAL HG23 H 1 1.022 0.000 . 2 . . . . . 838 V QG2 . 52907 1 686 . 1 . 1 64 64 VAL C C 13 174.769 0.000 . 1 . . . . . 838 V C . 52907 1 687 . 1 . 1 64 64 VAL CA C 13 58.881 0.000 . 1 . . . . . 838 V CA . 52907 1 688 . 1 . 1 64 64 VAL CB C 13 35.468 0.000 . 1 . . . . . 838 V CB . 52907 1 689 . 1 . 1 64 64 VAL CG1 C 13 19.793 0.000 . 2 . . . . . 838 V CG1 . 52907 1 690 . 1 . 1 64 64 VAL CG2 C 13 22.054 0.000 . 2 . . . . . 838 V CG2 . 52907 1 691 . 1 . 1 64 64 VAL N N 15 113.014 0.000 . 1 . . . . . 838 V N . 52907 1 692 . 1 . 1 65 65 SER H H 1 8.836 0.000 . 1 . . . . . 839 S H . 52907 1 693 . 1 . 1 65 65 SER HA H 1 4.648 0.000 . 1 . . . . . 839 S HA . 52907 1 694 . 1 . 1 65 65 SER HB2 H 1 4.411 0.000 . 1 . . . . . 839 S HB2 . 52907 1 695 . 1 . 1 65 65 SER HB3 H 1 4.062 0.000 . 1 . . . . . 839 S HB3 . 52907 1 696 . 1 . 1 65 65 SER C C 13 174.222 0.000 . 1 . . . . . 839 S C . 52907 1 697 . 1 . 1 65 65 SER CA C 13 57.093 0.000 . 1 . . . . . 839 S CA . 52907 1 698 . 1 . 1 65 65 SER CB C 13 65.523 0.000 . 1 . . . . . 839 S CB . 52907 1 699 . 1 . 1 65 65 SER N N 15 120.215 0.000 . 1 . . . . . 839 S N . 52907 1 700 . 1 . 1 66 66 LYS H H 1 8.882 0.000 . 1 . . . . . 840 K H . 52907 1 701 . 1 . 1 66 66 LYS HA H 1 3.743 0.000 . 1 . . . . . 840 K HA . 52907 1 702 . 1 . 1 66 66 LYS HB2 H 1 2.071 0.000 . 1 . . . . . 840 K HB2 . 52907 1 703 . 1 . 1 66 66 LYS HB3 H 1 1.807 0.000 . 1 . . . . . 840 K HB3 . 52907 1 704 . 1 . 1 66 66 LYS HG2 H 1 1.712 0.000 . 1 . . . . . 840 K HG2 . 52907 1 705 . 1 . 1 66 66 LYS HG3 H 1 1.32 0.000 . 1 . . . . . 840 K HG3 . 52907 1 706 . 1 . 1 66 66 LYS HD2 H 1 1.705 0.000 . 1 . . . . . 840 K HD2 . 52907 1 707 . 1 . 1 66 66 LYS HD3 H 1 1.761 0.000 . 1 . . . . . 840 K HD3 . 52907 1 708 . 1 . 1 66 66 LYS HE2 H 1 2.959 0.000 . 1 . . . . . 840 K QE . 52907 1 709 . 1 . 1 66 66 LYS HE3 H 1 2.959 0.000 . 1 . . . . . 840 K QE . 52907 1 710 . 1 . 1 66 66 LYS C C 13 177.804 0.000 . 1 . . . . . 840 K C . 52907 1 711 . 1 . 1 66 66 LYS CA C 13 60.715 0.000 . 1 . . . . . 840 K CA . 52907 1 712 . 1 . 1 66 66 LYS CB C 13 32.5 0.000 . 1 . . . . . 840 K CB . 52907 1 713 . 1 . 1 66 66 LYS CG C 13 24.68 0.000 . 1 . . . . . 840 K CG . 52907 1 714 . 1 . 1 66 66 LYS CD C 13 30.086 0.000 . 1 . . . . . 840 K CD . 52907 1 715 . 1 . 1 66 66 LYS CE C 13 42.426 0.000 . 1 . . . . . 840 K CE . 52907 1 716 . 1 . 1 66 66 LYS N N 15 122.64 0.000 . 1 . . . . . 840 K N . 52907 1 717 . 1 . 1 67 67 ALA H H 1 8.277 0.000 . 1 . . . . . 841 A H . 52907 1 718 . 1 . 1 67 67 ALA HA H 1 4.123 0.000 . 1 . . . . . 841 A HA . 52907 1 719 . 1 . 1 67 67 ALA HB1 H 1 1.41 0.000 . 1 . . . . . 841 A HB# . 52907 1 720 . 1 . 1 67 67 ALA HB2 H 1 1.41 0.000 . 1 . . . . . 841 A HB# . 52907 1 721 . 1 . 1 67 67 ALA HB3 H 1 1.41 0.000 . 1 . . . . . 841 A HB# . 52907 1 722 . 1 . 1 67 67 ALA C C 13 181.049 0.000 . 1 . . . . . 841 A C . 52907 1 723 . 1 . 1 67 67 ALA CA C 13 54.918 0.000 . 1 . . . . . 841 A CA . 52907 1 724 . 1 . 1 67 67 ALA CB C 13 18.687 0.000 . 1 . . . . . 841 A CB . 52907 1 725 . 1 . 1 67 67 ALA N N 15 118.759 0.000 . 1 . . . . . 841 A N . 52907 1 726 . 1 . 1 68 68 GLU H H 1 7.825 0.000 . 1 . . . . . 842 E H . 52907 1 727 . 1 . 1 68 68 GLU HA H 1 3.957 0.000 . 1 . . . . . 842 E HA . 52907 1 728 . 1 . 1 68 68 GLU HB2 H 1 2.244 0.000 . 1 . . . . . 842 E HB2 . 52907 1 729 . 1 . 1 68 68 GLU HB3 H 1 2.023 0.000 . 1 . . . . . 842 E HB3 . 52907 1 730 . 1 . 1 68 68 GLU HG2 H 1 2.333 0.000 . 1 . . . . . 842 E HG2 . 52907 1 731 . 1 . 1 68 68 GLU HG3 H 1 2.293 0.000 . 1 . . . . . 842 E HG3 . 52907 1 732 . 1 . 1 68 68 GLU C C 13 178.863 0.000 . 1 . . . . . 842 E C . 52907 1 733 . 1 . 1 68 68 GLU CA C 13 58.763 0.000 . 1 . . . . . 842 E CA . 52907 1 734 . 1 . 1 68 68 GLU CB C 13 30.022 0.000 . 1 . . . . . 842 E CB . 52907 1 735 . 1 . 1 68 68 GLU CG C 13 36.945 0.000 . 1 . . . . . 842 E CG . 52907 1 736 . 1 . 1 68 68 GLU N N 15 118.84 0.000 . 1 . . . . . 842 E N . 52907 1 737 . 1 . 1 69 69 ALA H H 1 8.875 0.000 . 1 . . . . . 843 A H . 52907 1 738 . 1 . 1 69 69 ALA HA H 1 4.135 0.000 . 1 . . . . . 843 A HA . 52907 1 739 . 1 . 1 69 69 ALA HB1 H 1 1.752 0.000 . 1 . . . . . 843 A HB# . 52907 1 740 . 1 . 1 69 69 ALA HB2 H 1 1.752 0.000 . 1 . . . . . 843 A HB# . 52907 1 741 . 1 . 1 69 69 ALA HB3 H 1 1.752 0.000 . 1 . . . . . 843 A HB# . 52907 1 742 . 1 . 1 69 69 ALA C C 13 180.293 0.000 . 1 . . . . . 843 A C . 52907 1 743 . 1 . 1 69 69 ALA CA C 13 54.84 0.000 . 1 . . . . . 843 A CA . 52907 1 744 . 1 . 1 69 69 ALA CB C 13 18.078 0.000 . 1 . . . . . 843 A CB . 52907 1 745 . 1 . 1 69 69 ALA N N 15 124.666 0.000 . 1 . . . . . 843 A N . 52907 1 746 . 1 . 1 70 70 ALA H H 1 8.533 0.000 . 1 . . . . . 844 A H . 52907 1 747 . 1 . 1 70 70 ALA HA H 1 4.087 0.000 . 1 . . . . . 844 A HA . 52907 1 748 . 1 . 1 70 70 ALA HB1 H 1 1.583 0.000 . 1 . . . . . 844 A HB# . 52907 1 749 . 1 . 1 70 70 ALA HB2 H 1 1.583 0.000 . 1 . . . . . 844 A HB# . 52907 1 750 . 1 . 1 70 70 ALA HB3 H 1 1.583 0.000 . 1 . . . . . 844 A HB# . 52907 1 751 . 1 . 1 70 70 ALA C C 13 179.282 0.000 . 1 . . . . . 844 A C . 52907 1 752 . 1 . 1 70 70 ALA CA C 13 55.213 0.000 . 1 . . . . . 844 A CA . 52907 1 753 . 1 . 1 70 70 ALA CB C 13 18.099 0.000 . 1 . . . . . 844 A CB . 52907 1 754 . 1 . 1 70 70 ALA N N 15 121.372 0.000 . 1 . . . . . 844 A N . 52907 1 755 . 1 . 1 71 71 ARG H H 1 7.795 0.000 . 1 . . . . . 845 R H . 52907 1 756 . 1 . 1 71 71 ARG HA H 1 4.03 0.000 . 1 . . . . . 845 R HA . 52907 1 757 . 1 . 1 71 71 ARG HB2 H 1 1.958 0.000 . 1 . . . . . 845 R HB2 . 52907 1 758 . 1 . 1 71 71 ARG HB3 H 1 1.868 0.000 . 1 . . . . . 845 R HB3 . 52907 1 759 . 1 . 1 71 71 ARG HG2 H 1 1.773 0.000 . 1 . . . . . 845 R HG2 . 52907 1 760 . 1 . 1 71 71 ARG HG3 H 1 1.636 0.000 . 1 . . . . . 845 R HG3 . 52907 1 761 . 1 . 1 71 71 ARG HD2 H 1 3.177 0.000 . 1 . . . . . 845 R HD2 . 52907 1 762 . 1 . 1 71 71 ARG HD3 H 1 3.207 0.000 . 1 . . . . . 845 R HD3 . 52907 1 763 . 1 . 1 71 71 ARG C C 13 179.224 0.000 . 1 . . . . . 845 R C . 52907 1 764 . 1 . 1 71 71 ARG CA C 13 59.393 0.000 . 1 . . . . . 845 R CA . 52907 1 765 . 1 . 1 71 71 ARG CB C 13 30.231 0.000 . 1 . . . . . 845 R CB . 52907 1 766 . 1 . 1 71 71 ARG CG C 13 27.665 0.000 . 1 . . . . . 845 R CG . 52907 1 767 . 1 . 1 71 71 ARG CD C 13 43.658 0.000 . 1 . . . . . 845 R CD . 52907 1 768 . 1 . 1 71 71 ARG N N 15 117.913 0.000 . 1 . . . . . 845 R N . 52907 1 769 . 1 . 1 72 72 GLU H H 1 7.926 0.000 . 1 . . . . . 846 E H . 52907 1 770 . 1 . 1 72 72 GLU HA H 1 4.435 0.000 . 1 . . . . . 846 E HA . 52907 1 771 . 1 . 1 72 72 GLU HB2 H 1 2.097 0.000 . 1 . . . . . 846 E HB2 . 52907 1 772 . 1 . 1 72 72 GLU HB3 H 1 1.909 0.000 . 1 . . . . . 846 E HB3 . 52907 1 773 . 1 . 1 72 72 GLU HG2 H 1 2.148 0.000 . 1 . . . . . 846 E HG2 . 52907 1 774 . 1 . 1 72 72 GLU HG3 H 1 2.397 0.000 . 1 . . . . . 846 E HG3 . 52907 1 775 . 1 . 1 72 72 GLU C C 13 178.607 0.000 . 1 . . . . . 846 E C . 52907 1 776 . 1 . 1 72 72 GLU CA C 13 58.218 0.000 . 1 . . . . . 846 E CA . 52907 1 777 . 1 . 1 72 72 GLU CB C 13 28.526 0.000 . 1 . . . . . 846 E CB . 52907 1 778 . 1 . 1 72 72 GLU CG C 13 34.487 0.000 . 1 . . . . . 846 E CG . 52907 1 779 . 1 . 1 72 72 GLU N N 15 120.294 0.000 . 1 . . . . . 846 E N . 52907 1 780 . 1 . 1 73 73 GLN H H 1 8.046 0.000 . 1 . . . . . 847 Q H . 52907 1 781 . 1 . 1 73 73 GLN HA H 1 3.858 0.000 . 1 . . . . . 847 Q HA . 52907 1 782 . 1 . 1 73 73 GLN HB2 H 1 2.385 0.000 . 1 . . . . . 847 Q HB2 . 52907 1 783 . 1 . 1 73 73 GLN HB3 H 1 1.783 0.000 . 1 . . . . . 847 Q HB3 . 52907 1 784 . 1 . 1 73 73 GLN HG2 H 1 2.068 0.000 . 1 . . . . . 847 Q HG2 . 52907 1 785 . 1 . 1 73 73 GLN HG3 H 1 2.519 0.000 . 1 . . . . . 847 Q HG3 . 52907 1 786 . 1 . 1 73 73 GLN HE21 H 1 6.944 0.000 . 2 . . . . . 847 Q HE21 . 52907 1 787 . 1 . 1 73 73 GLN HE22 H 1 7.961 0.000 . 2 . . . . . 847 Q HE22 . 52907 1 788 . 1 . 1 73 73 GLN C C 13 177.758 0.000 . 1 . . . . . 847 Q C . 52907 1 789 . 1 . 1 73 73 GLN CA C 13 58.045 0.000 . 1 . . . . . 847 Q CA . 52907 1 790 . 1 . 1 73 73 GLN CB C 13 29.18 0.000 . 1 . . . . . 847 Q CB . 52907 1 791 . 1 . 1 73 73 GLN CG C 13 34.019 0.000 . 1 . . . . . 847 Q CG . 52907 1 792 . 1 . 1 73 73 GLN N N 15 117.125 0.000 . 1 . . . . . 847 Q N . 52907 1 793 . 1 . 1 73 73 GLN NE2 N 15 119.091 0.000 . 1 . . . . . 847 Q NE2 . 52907 1 794 . 1 . 1 74 74 GLU H H 1 8.262 0.000 . 1 . . . . . 848 E H . 52907 1 795 . 1 . 1 74 74 GLU HA H 1 3.79 0.000 . 1 . . . . . 848 E HA . 52907 1 796 . 1 . 1 74 74 GLU HB2 H 1 2.125 0.000 . 1 . . . . . 848 E HB2 . 52907 1 797 . 1 . 1 74 74 GLU HB3 H 1 2.001 0.000 . 1 . . . . . 848 E HB3 . 52907 1 798 . 1 . 1 74 74 GLU HG2 H 1 2.127 0.000 . 1 . . . . . 848 E HG2 . 52907 1 799 . 1 . 1 74 74 GLU HG3 H 1 2.359 0.000 . 1 . . . . . 848 E HG3 . 52907 1 800 . 1 . 1 74 74 GLU C C 13 178.572 0.000 . 1 . . . . . 848 E C . 52907 1 801 . 1 . 1 74 74 GLU CA C 13 59.84 0.000 . 1 . . . . . 848 E CA . 52907 1 802 . 1 . 1 74 74 GLU CB C 13 29.258 0.000 . 1 . . . . . 848 E CB . 52907 1 803 . 1 . 1 74 74 GLU CG C 13 36.292 0.000 . 1 . . . . . 848 E CG . 52907 1 804 . 1 . 1 74 74 GLU N N 15 118.754 0.000 . 1 . . . . . 848 E N . 52907 1 805 . 1 . 1 75 75 ARG H H 1 7.562 0.000 . 1 . . . . . 849 R H . 52907 1 806 . 1 . 1 75 75 ARG HA H 1 3.972 0.000 . 1 . . . . . 849 R HA . 52907 1 807 . 1 . 1 75 75 ARG HB2 H 1 1.996 0.000 . 1 . . . . . 849 R HB2 . 52907 1 808 . 1 . 1 75 75 ARG HB3 H 1 1.942 0.000 . 1 . . . . . 849 R HB3 . 52907 1 809 . 1 . 1 75 75 ARG HG2 H 1 1.485 0.000 . 1 . . . . . 849 R HG2 . 52907 1 810 . 1 . 1 75 75 ARG HG3 H 1 1.793 0.000 . 1 . . . . . 849 R HG3 . 52907 1 811 . 1 . 1 75 75 ARG HD2 H 1 3.222 0.000 . 1 . . . . . 849 R HD2 . 52907 1 812 . 1 . 1 75 75 ARG HD3 H 1 3.153 0.000 . 1 . . . . . 849 R HD3 . 52907 1 813 . 1 . 1 75 75 ARG C C 13 179.479 0.000 . 1 . . . . . 849 R C . 52907 1 814 . 1 . 1 75 75 ARG CA C 13 60.029 0.000 . 1 . . . . . 849 R CA . 52907 1 815 . 1 . 1 75 75 ARG CB C 13 30.231 0.000 . 1 . . . . . 849 R CB . 52907 1 816 . 1 . 1 75 75 ARG CG C 13 28.152 0.000 . 1 . . . . . 849 R CG . 52907 1 817 . 1 . 1 75 75 ARG CD C 13 43.664 0.000 . 1 . . . . . 849 R CD . 52907 1 818 . 1 . 1 75 75 ARG N N 15 119.705 0.000 . 1 . . . . . 849 R N . 52907 1 819 . 1 . 1 76 76 ILE H H 1 8.205 0.000 . 1 . . . . . 850 I H . 52907 1 820 . 1 . 1 76 76 ILE HA H 1 3.508 0.000 . 1 . . . . . 850 I HA . 52907 1 821 . 1 . 1 76 76 ILE HB H 1 1.856 0.000 . 1 . . . . . 850 I HB . 52907 1 822 . 1 . 1 76 76 ILE HG12 H 1 1.008 0.000 . 1 . . . . . 850 I HG12 . 52907 1 823 . 1 . 1 76 76 ILE HG13 H 1 1.762 0.000 . 1 . . . . . 850 I HG13 . 52907 1 824 . 1 . 1 76 76 ILE HG21 H 1 0.848 0.000 . 1 . . . . . 850 I QG2 . 52907 1 825 . 1 . 1 76 76 ILE HG22 H 1 0.848 0.000 . 1 . . . . . 850 I QG2 . 52907 1 826 . 1 . 1 76 76 ILE HG23 H 1 0.848 0.000 . 1 . . . . . 850 I QG2 . 52907 1 827 . 1 . 1 76 76 ILE HD11 H 1 0.898 0.000 . 1 . . . . . 850 I QD1 . 52907 1 828 . 1 . 1 76 76 ILE HD12 H 1 0.898 0.000 . 1 . . . . . 850 I QD1 . 52907 1 829 . 1 . 1 76 76 ILE HD13 H 1 0.898 0.000 . 1 . . . . . 850 I QD1 . 52907 1 830 . 1 . 1 76 76 ILE C C 13 178.386 0.000 . 1 . . . . . 850 I C . 52907 1 831 . 1 . 1 76 76 ILE CA C 13 65.524 0.000 . 1 . . . . . 850 I CA . 52907 1 832 . 1 . 1 76 76 ILE CB C 13 38.807 0.000 . 1 . . . . . 850 I CB . 52907 1 833 . 1 . 1 76 76 ILE CG1 C 13 29.675 0.000 . 1 . . . . . 850 I CG1 . 52907 1 834 . 1 . 1 76 76 ILE CG2 C 13 16.643 0.000 . 1 . . . . . 850 I CG2 . 52907 1 835 . 1 . 1 76 76 ILE CD1 C 13 14.845 0.000 . 1 . . . . . 850 I CD1 . 52907 1 836 . 1 . 1 76 76 ILE N N 15 122.227 0.000 . 1 . . . . . 850 I N . 52907 1 837 . 1 . 1 77 77 LEU H H 1 8.584 0.000 . 1 . . . . . 851 L H . 52907 1 838 . 1 . 1 77 77 LEU HA H 1 3.765 0.000 . 1 . . . . . 851 L HA . 52907 1 839 . 1 . 1 77 77 LEU HB2 H 1 1.612 0.000 . 1 . . . . . 851 L HB2 . 52907 1 840 . 1 . 1 77 77 LEU HB3 H 1 1.105 0.000 . 1 . . . . . 851 L HB3 . 52907 1 841 . 1 . 1 77 77 LEU HG H 1 1.226 0.000 . 1 . . . . . 851 L HG . 52907 1 842 . 1 . 1 77 77 LEU HD11 H 1 0.411 0.000 . 2 . . . . . 851 L QD1 . 52907 1 843 . 1 . 1 77 77 LEU HD12 H 1 0.411 0.000 . 2 . . . . . 851 L QD1 . 52907 1 844 . 1 . 1 77 77 LEU HD13 H 1 0.411 0.000 . 2 . . . . . 851 L QD1 . 52907 1 845 . 1 . 1 77 77 LEU HD21 H 1 0.039 0.000 . 2 . . . . . 851 L QD2 . 52907 1 846 . 1 . 1 77 77 LEU HD22 H 1 0.039 0.000 . 2 . . . . . 851 L QD2 . 52907 1 847 . 1 . 1 77 77 LEU HD23 H 1 0.039 0.000 . 2 . . . . . 851 L QD2 . 52907 1 848 . 1 . 1 77 77 LEU C C 13 179.34 0.000 . 1 . . . . . 851 L C . 52907 1 849 . 1 . 1 77 77 LEU CA C 13 58.006 0.000 . 1 . . . . . 851 L CA . 52907 1 850 . 1 . 1 77 77 LEU CB C 13 41.675 0.000 . 1 . . . . . 851 L CB . 52907 1 851 . 1 . 1 77 77 LEU CG C 13 26.693 0.000 . 1 . . . . . 851 L CG . 52907 1 852 . 1 . 1 77 77 LEU CD1 C 13 22.111 0.000 . 2 . . . . . 851 L CD1 . 52907 1 853 . 1 . 1 77 77 LEU CD2 C 13 24.177 0.000 . 2 . . . . . 851 L CD2 . 52907 1 854 . 1 . 1 77 77 LEU N N 15 120.237 0.000 . 1 . . . . . 851 L N . 52907 1 855 . 1 . 1 78 78 ASN H H 1 8.162 0.000 . 1 . . . . . 852 N H . 52907 1 856 . 1 . 1 78 78 ASN HA H 1 4.375 0.000 . 1 . . . . . 852 N HA . 52907 1 857 . 1 . 1 78 78 ASN HB2 H 1 2.868 0.000 . 1 . . . . . 852 N HB2 . 52907 1 858 . 1 . 1 78 78 ASN HB3 H 1 2.759 0.000 . 1 . . . . . 852 N HB3 . 52907 1 859 . 1 . 1 78 78 ASN C C 13 177.932 0.000 . 1 . . . . . 852 N C . 52907 1 860 . 1 . 1 78 78 ASN CA C 13 56.2 0.000 . 1 . . . . . 852 N CA . 52907 1 861 . 1 . 1 78 78 ASN CB C 13 38.294 0.000 . 1 . . . . . 852 N CB . 52907 1 862 . 1 . 1 78 78 ASN N N 15 117.613 0.000 . 1 . . . . . 852 N N . 52907 1 863 . 1 . 1 79 79 ARG H H 1 7.828 0.000 . 1 . . . . . 853 R H . 52907 1 864 . 1 . 1 79 79 ARG HA H 1 4.114 0.000 . 1 . . . . . 853 R HA . 52907 1 865 . 1 . 1 79 79 ARG HB2 H 1 1.951 0.000 . 1 . . . . . 853 R HB2 . 52907 1 866 . 1 . 1 79 79 ARG HB3 H 1 1.849 0.000 . 1 . . . . . 853 R HB3 . 52907 1 867 . 1 . 1 79 79 ARG HG2 H 1 1.617 0.000 . 1 . . . . . 853 R HG2 . 52907 1 868 . 1 . 1 79 79 ARG HG3 H 1 1.766 0.000 . 1 . . . . . 853 R HG3 . 52907 1 869 . 1 . 1 79 79 ARG HD2 H 1 3.18 0.000 . 1 . . . . . 853 R QD . 52907 1 870 . 1 . 1 79 79 ARG HD3 H 1 3.18 0.000 . 1 . . . . . 853 R QD . 52907 1 871 . 1 . 1 79 79 ARG C C 13 179.014 0.000 . 1 . . . . . 853 R C . 52907 1 872 . 1 . 1 79 79 ARG CA C 13 59.113 0.000 . 1 . . . . . 853 R CA . 52907 1 873 . 1 . 1 79 79 ARG CB C 13 29.961 0.000 . 1 . . . . . 853 R CB . 52907 1 874 . 1 . 1 79 79 ARG CG C 13 27.615 0.000 . 1 . . . . . 853 R CG . 52907 1 875 . 1 . 1 79 79 ARG CD C 13 43.253 0.000 . 1 . . . . . 853 R CD . 52907 1 876 . 1 . 1 79 79 ARG N N 15 120.812 0.000 . 1 . . . . . 853 R N . 52907 1 877 . 1 . 1 80 80 LEU H H 1 8.289 0.000 . 1 . . . . . 854 L H . 52907 1 878 . 1 . 1 80 80 LEU HA H 1 4.106 0.000 . 1 . . . . . 854 L HA . 52907 1 879 . 1 . 1 80 80 LEU HB2 H 1 1.831 0.000 . 1 . . . . . 854 L HB2 . 52907 1 880 . 1 . 1 80 80 LEU HB3 H 1 1.518 0.000 . 1 . . . . . 854 L HB3 . 52907 1 881 . 1 . 1 80 80 LEU HG H 1 1.844 0.000 . 1 . . . . . 854 L HG . 52907 1 882 . 1 . 1 80 80 LEU HD11 H 1 0.809 0.000 . 2 . . . . . 854 L QD1 . 52907 1 883 . 1 . 1 80 80 LEU HD12 H 1 0.809 0.000 . 2 . . . . . 854 L QD1 . 52907 1 884 . 1 . 1 80 80 LEU HD13 H 1 0.809 0.000 . 2 . . . . . 854 L QD1 . 52907 1 885 . 1 . 1 80 80 LEU HD21 H 1 0.771 0.000 . 2 . . . . . 854 L QD2 . 52907 1 886 . 1 . 1 80 80 LEU HD22 H 1 0.771 0.000 . 2 . . . . . 854 L QD2 . 52907 1 887 . 1 . 1 80 80 LEU HD23 H 1 0.771 0.000 . 2 . . . . . 854 L QD2 . 52907 1 888 . 1 . 1 80 80 LEU C C 13 179.654 0.000 . 1 . . . . . 854 L C . 52907 1 889 . 1 . 1 80 80 LEU CA C 13 57.631 0.000 . 1 . . . . . 854 L CA . 52907 1 890 . 1 . 1 80 80 LEU CB C 13 42.027 0.000 . 1 . . . . . 854 L CB . 52907 1 891 . 1 . 1 80 80 LEU CG C 13 26.78 0.000 . 1 . . . . . 854 L CG . 52907 1 892 . 1 . 1 80 80 LEU CD1 C 13 22.976 0.000 . 2 . . . . . 854 L CD1 . 52907 1 893 . 1 . 1 80 80 LEU CD2 C 13 25.868 0.000 . 2 . . . . . 854 L CD2 . 52907 1 894 . 1 . 1 80 80 LEU N N 15 120.82 0.000 . 1 . . . . . 854 L N . 52907 1 895 . 1 . 1 81 81 ARG H H 1 8.264 0.000 . 1 . . . . . 855 R H . 52907 1 896 . 1 . 1 81 81 ARG HA H 1 4.075 0.000 . 1 . . . . . 855 R HA . 52907 1 897 . 1 . 1 81 81 ARG HB2 H 1 1.959 0.000 . 1 . . . . . 855 R HB2 . 52907 1 898 . 1 . 1 81 81 ARG HB3 H 1 1.85 0.000 . 1 . . . . . 855 R HB3 . 52907 1 899 . 1 . 1 81 81 ARG HG2 H 1 1.612 0.000 . 1 . . . . . 855 R HG2 . 52907 1 900 . 1 . 1 81 81 ARG HG3 H 1 1.752 0.000 . 1 . . . . . 855 R HG3 . 52907 1 901 . 1 . 1 81 81 ARG HD2 H 1 3.136 0.000 . 1 . . . . . 855 R QD . 52907 1 902 . 1 . 1 81 81 ARG HD3 H 1 3.136 0.000 . 1 . . . . . 855 R QD . 52907 1 903 . 1 . 1 81 81 ARG C C 13 177.979 0.000 . 1 . . . . . 855 R C . 52907 1 904 . 1 . 1 81 81 ARG CA C 13 58.442 0.000 . 1 . . . . . 855 R CA . 52907 1 905 . 1 . 1 81 81 ARG CB C 13 30.069 0.000 . 1 . . . . . 855 R CB . 52907 1 906 . 1 . 1 81 81 ARG CG C 13 27.768 0.000 . 1 . . . . . 855 R CG . 52907 1 907 . 1 . 1 81 81 ARG CD C 13 43.655 0.000 . 1 . . . . . 855 R CD . 52907 1 908 . 1 . 1 81 81 ARG N N 15 119.567 0.000 . 1 . . . . . 855 R N . 52907 1 909 . 1 . 1 82 82 ALA H H 1 7.766 0.000 . 1 . . . . . 856 A H . 52907 1 910 . 1 . 1 82 82 ALA HA H 1 4.117 0.000 . 1 . . . . . 856 A HA . 52907 1 911 . 1 . 1 82 82 ALA HB1 H 1 1.442 0.000 . 1 . . . . . 856 A HB# . 52907 1 912 . 1 . 1 82 82 ALA HB2 H 1 1.442 0.000 . 1 . . . . . 856 A HB# . 52907 1 913 . 1 . 1 82 82 ALA HB3 H 1 1.442 0.000 . 1 . . . . . 856 A HB# . 52907 1 914 . 1 . 1 82 82 ALA C C 13 179.107 0.000 . 1 . . . . . 856 A C . 52907 1 915 . 1 . 1 82 82 ALA CA C 13 54.21 0.000 . 1 . . . . . 856 A CA . 52907 1 916 . 1 . 1 82 82 ALA CB C 13 18.287 0.000 . 1 . . . . . 856 A CB . 52907 1 917 . 1 . 1 82 82 ALA N N 15 122.201 0.000 . 1 . . . . . 856 A N . 52907 1 918 . 1 . 1 83 83 ALA H H 1 7.863 0.000 . 1 . . . . . 857 A H . 52907 1 919 . 1 . 1 83 83 ALA HA H 1 4.16 0.000 . 1 . . . . . 857 A HA . 52907 1 920 . 1 . 1 83 83 ALA HB1 H 1 1.44 0.000 . 1 . . . . . 857 A HB# . 52907 1 921 . 1 . 1 83 83 ALA HB2 H 1 1.44 0.000 . 1 . . . . . 857 A HB# . 52907 1 922 . 1 . 1 83 83 ALA HB3 H 1 1.44 0.000 . 1 . . . . . 857 A HB# . 52907 1 923 . 1 . 1 83 83 ALA C C 13 178.572 0.000 . 1 . . . . . 857 A C . 52907 1 924 . 1 . 1 83 83 ALA CA C 13 53.677 0.000 . 1 . . . . . 857 A CA . 52907 1 925 . 1 . 1 83 83 ALA CB C 13 18.553 0.000 . 1 . . . . . 857 A CB . 52907 1 926 . 1 . 1 83 83 ALA N N 15 120.919 0.000 . 1 . . . . . 857 A N . 52907 1 927 . 1 . 1 84 84 ALA H H 1 7.765 0.000 . 1 . . . . . 858 A H . 52907 1 928 . 1 . 1 84 84 ALA HA H 1 4.212 0.000 . 1 . . . . . 858 A HA . 52907 1 929 . 1 . 1 84 84 ALA HB1 H 1 1.433 0.000 . 1 . . . . . 858 A HB# . 52907 1 930 . 1 . 1 84 84 ALA HB2 H 1 1.433 0.000 . 1 . . . . . 858 A HB# . 52907 1 931 . 1 . 1 84 84 ALA HB3 H 1 1.433 0.000 . 1 . . . . . 858 A HB# . 52907 1 932 . 1 . 1 84 84 ALA C C 13 178.456 0.000 . 1 . . . . . 858 A C . 52907 1 933 . 1 . 1 84 84 ALA CA C 13 53.328 0.000 . 1 . . . . . 858 A CA . 52907 1 934 . 1 . 1 84 84 ALA CB C 13 18.611 0.000 . 1 . . . . . 858 A CB . 52907 1 935 . 1 . 1 84 84 ALA N N 15 121.077 0.000 . 1 . . . . . 858 A N . 52907 1 936 . 1 . 1 85 85 ARG H H 1 7.813 0.000 . 1 . . . . . 859 R H . 52907 1 937 . 1 . 1 85 85 ARG HA H 1 4.198 0.000 . 1 . . . . . 859 R HA . 52907 1 938 . 1 . 1 85 85 ARG HB2 H 1 1.816 0.000 . 1 . . . . . 859 R HB2 . 52907 1 939 . 1 . 1 85 85 ARG HB3 H 1 1.879 0.000 . 1 . . . . . 859 R HB3 . 52907 1 940 . 1 . 1 85 85 ARG HG2 H 1 1.621 0.000 . 1 . . . . . 859 R HG2 . 52907 1 941 . 1 . 1 85 85 ARG HG3 H 1 1.722 0.000 . 1 . . . . . 859 R HG3 . 52907 1 942 . 1 . 1 85 85 ARG C C 13 176.711 0.000 . 1 . . . . . 859 R C . 52907 1 943 . 1 . 1 85 85 ARG CA C 13 57.054 0.000 . 1 . . . . . 859 R CA . 52907 1 944 . 1 . 1 85 85 ARG CB C 13 30.393 0.000 . 1 . . . . . 859 R CB . 52907 1 945 . 1 . 1 85 85 ARG CG C 13 27.691 0.000 . 1 . . . . . 859 R CG . 52907 1 946 . 1 . 1 85 85 ARG N N 15 118.732 0.000 . 1 . . . . . 859 R N . 52907 1 947 . 1 . 1 86 86 LYS H H 1 7.954 0.000 . 1 . . . . . 860 K H . 52907 1 948 . 1 . 1 86 86 LYS HA H 1 4.203 0.000 . 1 . . . . . 860 K HA . 52907 1 949 . 1 . 1 86 86 LYS HB2 H 1 1.837 0.000 . 1 . . . . . 860 K HB2 . 52907 1 950 . 1 . 1 86 86 LYS HB3 H 1 1.766 0.000 . 1 . . . . . 860 K HB3 . 52907 1 951 . 1 . 1 86 86 LYS HG2 H 1 1.409 0.000 . 1 . . . . . 860 K HG2 . 52907 1 952 . 1 . 1 86 86 LYS HG3 H 1 1.473 0.000 . 1 . . . . . 860 K HG3 . 52907 1 953 . 1 . 1 86 86 LYS C C 13 176.571 0.000 . 1 . . . . . 860 K C . 52907 1 954 . 1 . 1 86 86 LYS CA C 13 56.87 0.000 . 1 . . . . . 860 K CA . 52907 1 955 . 1 . 1 86 86 LYS CB C 13 33.063 0.000 . 1 . . . . . 860 K CB . 52907 1 956 . 1 . 1 86 86 LYS CG C 13 25.1 0.000 . 1 . . . . . 860 K CG . 52907 1 957 . 1 . 1 86 86 LYS N N 15 121.013 0.000 . 1 . . . . . 860 K N . 52907 1 958 . 1 . 1 87 87 GLN H H 1 8.111 0.000 . 1 . . . . . 861 Q H . 52907 1 959 . 1 . 1 87 87 GLN HA H 1 4.248 0.000 . 1 . . . . . 861 Q HA . 52907 1 960 . 1 . 1 87 87 GLN HB2 H 1 2.07 0.000 . 1 . . . . . 861 Q HB2 . 52907 1 961 . 1 . 1 87 87 GLN HB3 H 1 1.971 0.000 . 1 . . . . . 861 Q HB3 . 52907 1 962 . 1 . 1 87 87 GLN HG2 H 1 2.364 0.000 . 1 . . . . . 861 Q QG . 52907 1 963 . 1 . 1 87 87 GLN HG3 H 1 2.364 0.000 . 1 . . . . . 861 Q QG . 52907 1 964 . 1 . 1 87 87 GLN C C 13 175.722 0.000 . 1 . . . . . 861 Q C . 52907 1 965 . 1 . 1 87 87 GLN CA C 13 55.972 0.000 . 1 . . . . . 861 Q CA . 52907 1 966 . 1 . 1 87 87 GLN CB C 13 29.617 0.000 . 1 . . . . . 861 Q CB . 52907 1 967 . 1 . 1 87 87 GLN CG C 13 33.873 0.000 . 1 . . . . . 861 Q CG . 52907 1 968 . 1 . 1 87 87 GLN N N 15 120.678 0.000 . 1 . . . . . 861 Q N . 52907 1 969 . 1 . 1 88 88 LYS H H 1 8.225 0.000 . 1 . . . . . 862 K H . 52907 1 970 . 1 . 1 88 88 LYS HA H 1 4.247 0.000 . 1 . . . . . 862 K HA . 52907 1 971 . 1 . 1 88 88 LYS HB2 H 1 1.803 0.000 . 1 . . . . . 862 K HB2 . 52907 1 972 . 1 . 1 88 88 LYS HB3 H 1 1.731 0.000 . 1 . . . . . 862 K HB3 . 52907 1 973 . 1 . 1 88 88 LYS HG2 H 1 1.404 0.000 . 1 . . . . . 862 K QG . 52907 1 974 . 1 . 1 88 88 LYS HG3 H 1 1.404 0.000 . 1 . . . . . 862 K QG . 52907 1 975 . 1 . 1 88 88 LYS HD2 H 1 1.656 0.000 . 1 . . . . . 862 K HD2 . 52907 1 976 . 1 . 1 88 88 LYS C C 13 176.246 0.000 . 1 . . . . . 862 K C . 52907 1 977 . 1 . 1 88 88 LYS CA C 13 56.5 0.000 . 1 . . . . . 862 K CA . 52907 1 978 . 1 . 1 88 88 LYS CB C 13 32.648 0.000 . 1 . . . . . 862 K CB . 52907 1 979 . 1 . 1 88 88 LYS CG C 13 25.041 0.000 . 1 . . . . . 862 K CG . 52907 1 980 . 1 . 1 88 88 LYS CD C 13 29.429 0.000 . 1 . . . . . 862 K CD . 52907 1 981 . 1 . 1 88 88 LYS N N 15 122.774 0.000 . 1 . . . . . 862 K N . 52907 1 982 . 1 . 1 89 89 ARG H H 1 8.334 0.000 . 1 . . . . . 863 R H . 52907 1 983 . 1 . 1 89 89 ARG HA H 1 4.297 0.000 . 1 . . . . . 863 R HA . 52907 1 984 . 1 . 1 89 89 ARG HB2 H 1 1.62 0.000 . 1 . . . . . 863 R HB2 . 52907 1 985 . 1 . 1 89 89 ARG HB3 H 1 1.797 0.000 . 1 . . . . . 863 R HB3 . 52907 1 986 . 1 . 1 89 89 ARG C C 13 175.943 0.000 . 1 . . . . . 863 R C . 52907 1 987 . 1 . 1 89 89 ARG CA C 13 56.124 0.000 . 1 . . . . . 863 R CA . 52907 1 988 . 1 . 1 89 89 ARG CB C 13 30.718 0.000 . 1 . . . . . 863 R CB . 52907 1 989 . 1 . 1 89 89 ARG CG C 13 27.127 0.000 . 1 . . . . . 863 R CG . 52907 1 990 . 1 . 1 89 89 ARG CD C 13 43.321 0.000 . 1 . . . . . 863 R CD . 52907 1 991 . 1 . 1 89 89 ARG N N 15 122.609 0.000 . 1 . . . . . 863 R N . 52907 1 992 . 1 . 1 90 90 LYS H H 1 8.398 0.000 . 1 . . . . . 864 K H . 52907 1 993 . 1 . 1 90 90 LYS HA H 1 4.293 0.000 . 1 . . . . . 864 K HA . 52907 1 994 . 1 . 1 90 90 LYS HB2 H 1 1.919 0.000 . 1 . . . . . 864 K QB . 52907 1 995 . 1 . 1 90 90 LYS HB3 H 1 1.919 0.000 . 1 . . . . . 864 K QB . 52907 1 996 . 1 . 1 90 90 LYS HG2 H 1 1.363 0.000 . 1 . . . . . 864 K QG . 52907 1 997 . 1 . 1 90 90 LYS HG3 H 1 1.363 0.000 . 1 . . . . . 864 K QG . 52907 1 998 . 1 . 1 90 90 LYS C C 13 176.083 0.000 . 1 . . . . . 864 K C . 52907 1 999 . 1 . 1 90 90 LYS CA C 13 56.468 0.000 . 1 . . . . . 864 K CA . 52907 1 1000 . 1 . 1 90 90 LYS CB C 13 33.042 0.000 . 1 . . . . . 864 K CB . 52907 1 1001 . 1 . 1 90 90 LYS CG C 13 24.863 0.000 . 1 . . . . . 864 K CG . 52907 1 1002 . 1 . 1 90 90 LYS CD C 13 30.689 0.000 . 1 . . . . . 864 K CD . 52907 1 1003 . 1 . 1 90 90 LYS N N 15 123.17 0.000 . 1 . . . . . 864 K N . 52907 1 1004 . 1 . 1 91 91 SER H H 1 8.329 0.000 . 1 . . . . . 865 S H . 52907 1 1005 . 1 . 1 91 91 SER HA H 1 4.417 0.000 . 1 . . . . . 865 S HA . 52907 1 1006 . 1 . 1 91 91 SER HB2 H 1 3.854 0.000 . 1 . . . . . 865 S HB2 . 52907 1 1007 . 1 . 1 91 91 SER C C 13 173.082 0.000 . 1 . . . . . 865 S C . 52907 1 1008 . 1 . 1 91 91 SER CA C 13 58.278 0.000 . 1 . . . . . 865 S CA . 52907 1 1009 . 1 . 1 91 91 SER CB C 13 63.848 0.000 . 1 . . . . . 865 S CB . 52907 1 1010 . 1 . 1 91 91 SER N N 15 117.65 0.000 . 1 . . . . . 865 S N . 52907 1 1011 . 1 . 1 92 92 GLU H H 1 7.957 0.000 . 1 . . . . . 866 E H . 52907 1 1012 . 1 . 1 92 92 GLU HA H 1 4.126 0.000 . 1 . . . . . 866 E HA . 52907 1 1013 . 1 . 1 92 92 GLU C C 13 180.712 0.000 . 1 . . . . . 866 E C . 52907 1 1014 . 1 . 1 92 92 GLU CA C 13 57.996 0.000 . 1 . . . . . 866 E CA . 52907 1 1015 . 1 . 1 92 92 GLU CB C 13 31.042 0.000 . 1 . . . . . 866 E CB . 52907 1 1016 . 1 . 1 92 92 GLU N N 15 127.638 0.000 . 1 . . . . . 866 E N . 52907 1 stop_ save_