data_36491 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36491 _Entry.Title ; Solution structure of RRM2 of Human SART3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-29 _Entry.Accession_date 2023-05-30 _Entry.Last_release_date 2023-05-30 _Entry.Original_release_date 2023-05-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 I. Kim I. . . . 36491 2 K. Bang K. M. . . 36491 3 C. Park C. . . . 36491 4 N. Kim N. K. . . 36491 5 J. Suh J. Y. . . 36491 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA BINDING PROTEIN' . 36491 'RNA binding protein RNA recognition motif RNA processing' . 36491 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36491 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 345 36491 '15N chemical shifts' 84 36491 '1H chemical shifts' 559 36491 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 . . 2026-03-30 . original BMRB . 36491 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36490 'Solution structure of RRM1 of Human SART3' 36491 PDB 7XX9 'BMRB Entry Tracking System' 36491 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36491 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41046346 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural investigation of human U6 snRNA recognition by spliceosomal recycling factor SART3 RNA recognition motifs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 293 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-4658 _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 1323 _Citation.Page_last 1340 _Citation.Year 2026 _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 Iktae Kim . . . . 36491 1 2 Kyeong-Mi Bang . . . . 36491 1 3 'So Young' An . . . . 36491 1 4 Changkon Park . . . . 36491 1 5 Ji-Yeon Shin . . . . 36491 1 6 Youngim Kim . . . . 36491 1 7 'Hyun Kyu' Song . . . . 36491 1 8 Jeong-Yong Suh . . . . 36491 1 9 Nak-Kyoon Kim . . . . 36491 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36491 _Assembly.ID 1 _Assembly.Name 'Squamous cell carcinoma antigen recognized by T-cells 3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 9351.867 _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 entity_1 1 $entity_1 A A yes . . . . 'SART-3,Tat-interacting protein of 110 kDa,Tip110,p110 nuclear RNA-binding protein' . 36491 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A 794 GLY . start no . 36491 1 . 1 1 10 LEU 10 . A 803 LEU . middle . . 36491 1 . 1 1 11 PHE 11 . A 804 PHE . middle . . 36491 1 . 1 1 12 ILE 12 . A 805 ILE . middle . . 36491 1 . 1 1 13 SER 13 . A 806 SER . middle . . 36491 1 . 1 1 14 GLY 14 . A 807 GLY . middle no . 36491 1 . 1 1 15 LEU 15 . A 808 LEU . middle . . 36491 1 . 1 1 16 PRO 16 . A 809 PRO . middle no . 36491 1 . 1 1 17 PHE 17 . A 810 PHE . middle . . 36491 1 . 1 1 18 SER 18 . A 811 SER . middle . . 36491 1 . 1 1 19 CYS 19 . A 812 CYS . middle . . 36491 1 . 1 1 2 SER 2 . A 795 SER . middle . . 36491 1 . 1 1 20 THR 20 . A 813 THR . middle . . 36491 1 . 1 1 21 LYS 21 . A 814 LYS . middle . . 36491 1 . 1 1 22 GLU 22 . A 815 GLU . middle . . 36491 1 . 1 1 23 GLU 23 . A 816 GLU . middle . . 36491 1 . 1 1 24 LEU 24 . A 817 LEU . middle . . 36491 1 . 1 1 25 GLU 25 . A 818 GLU . middle . . 36491 1 . 1 1 26 GLU 26 . A 819 GLU . middle . . 36491 1 . 1 1 27 ILE 27 . A 820 ILE . middle . . 36491 1 . 1 1 28 CYS 28 . A 821 CYS . middle . . 36491 1 . 1 1 29 LYS 29 . A 822 LYS . middle . . 36491 1 . 1 1 3 HIS 3 . A 796 HIS . middle . . 36491 1 . 1 1 30 ALA 30 . A 823 ALA . middle . . 36491 1 . 1 1 31 HIS 31 . A 824 HIS . middle . . 36491 1 . 1 1 32 GLY 32 . A 825 GLY . middle no . 36491 1 . 1 1 33 THR 33 . A 826 THR . middle . . 36491 1 . 1 1 34 VAL 34 . A 827 VAL . middle . . 36491 1 . 1 1 35 LYS 35 . A 828 LYS . middle . . 36491 1 . 1 1 36 ASP 36 . A 829 ASP . middle . . 36491 1 . 1 1 37 LEU 37 . A 830 LEU . middle . . 36491 1 . 1 1 38 ARG 38 . A 831 ARG . middle . . 36491 1 . 1 1 39 LEU 39 . A 832 LEU . middle . . 36491 1 . 1 1 4 MET 4 . A 797 MET . middle . . 36491 1 . 1 1 40 VAL 40 . A 833 VAL . middle . . 36491 1 . 1 1 41 THR 41 . A 834 THR . middle . . 36491 1 . 1 1 42 ASN 42 . A 835 ASN . middle . . 36491 1 . 1 1 43 ARG 43 . A 836 ARG . middle . . 36491 1 . 1 1 44 ALA 44 . A 837 ALA . middle . . 36491 1 . 1 1 45 GLY 45 . A 838 GLY . middle no . 36491 1 . 1 1 46 LYS 46 . A 839 LYS . middle . . 36491 1 . 1 1 47 PRO 47 . A 840 PRO . middle no . 36491 1 . 1 1 48 LYS 48 . A 841 LYS . middle . . 36491 1 . 1 1 49 GLY 49 . A 842 GLY . middle no . 36491 1 . 1 1 5 LEU 5 . A 798 LEU . middle . . 36491 1 . 1 1 50 LEU 50 . A 843 LEU . middle . . 36491 1 . 1 1 51 ALA 51 . A 844 ALA . middle . . 36491 1 . 1 1 52 TYR 52 . A 845 TYR . middle . . 36491 1 . 1 1 53 VAL 53 . A 846 VAL . middle . . 36491 1 . 1 1 54 GLU 54 . A 847 GLU . middle . . 36491 1 . 1 1 55 TYR 55 . A 848 TYR . middle . . 36491 1 . 1 1 56 GLU 56 . A 849 GLU . middle . . 36491 1 . 1 1 57 ASN 57 . A 850 ASN . middle . . 36491 1 . 1 1 58 GLU 58 . A 851 GLU . middle . . 36491 1 . 1 1 59 SER 59 . A 852 SER . middle . . 36491 1 . 1 1 6 GLU 6 . A 799 GLU . middle . . 36491 1 . 1 1 60 GLN 60 . A 853 GLN . middle . . 36491 1 . 1 1 61 ALA 61 . A 854 ALA . middle . . 36491 1 . 1 1 62 SER 62 . A 855 SER . middle . . 36491 1 . 1 1 63 GLN 63 . A 856 GLN . middle . . 36491 1 . 1 1 64 ALA 64 . A 857 ALA . middle . . 36491 1 . 1 1 65 VAL 65 . A 858 VAL . middle . . 36491 1 . 1 1 66 MET 66 . A 859 MET . middle . . 36491 1 . 1 1 67 LYS 67 . A 860 LYS . middle . . 36491 1 . 1 1 68 MET 68 . A 861 MET . middle . . 36491 1 . 1 1 69 ASP 69 . A 862 ASP . middle . . 36491 1 . 1 1 7 LYS 7 . A 800 LYS . middle . . 36491 1 . 1 1 70 GLY 70 . A 863 GLY . middle no . 36491 1 . 1 1 71 MET 71 . A 864 MET . middle . . 36491 1 . 1 1 72 THR 72 . A 865 THR . middle . . 36491 1 . 1 1 73 ILE 73 . A 866 ILE . middle . . 36491 1 . 1 1 74 LYS 74 . A 867 LYS . middle . . 36491 1 . 1 1 75 GLU 75 . A 868 GLU . middle . . 36491 1 . 1 1 76 ASN 76 . A 869 ASN . middle . . 36491 1 . 1 1 77 ILE 77 . A 870 ILE . middle . . 36491 1 . 1 1 78 ILE 78 . A 871 ILE . middle . . 36491 1 . 1 1 79 LYS 79 . A 872 LYS . middle . . 36491 1 . 1 1 8 HIS 8 . A 801 HIS . middle . . 36491 1 . 1 1 80 VAL 80 . A 873 VAL . middle . . 36491 1 . 1 1 81 ALA 81 . A 874 ALA . middle . . 36491 1 . 1 1 82 ILE 82 . A 875 ILE . middle . . 36491 1 . 1 1 83 SER 83 . A 876 SER . middle . . 36491 1 . 1 1 84 ASN 84 . A 877 ASN . end . . 36491 1 . 1 1 9 LYS 9 . A 802 LYS . middle . . 36491 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36491 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Squamous cell carcinoma antigen recognized by T-cells 3' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMLEKHKLFISGLPFSCT KEELEEICKAHGTVKDLRLV TNRAGKPKGLAYVEYENESQ ASQAVMKMDGMTIKENIIKV AISN ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RRM2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9351.867 _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 'SART-3,Tat-interacting protein of 110 kDa,Tip110,p110 nuclear RNA-binding protein' common 36491 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 1 794 GLY . 36491 1 2 795 SER . 36491 1 3 796 HIS . 36491 1 4 797 MET . 36491 1 5 798 LEU . 36491 1 6 799 GLU . 36491 1 7 800 LYS . 36491 1 8 801 HIS . 36491 1 9 802 LYS . 36491 1 10 803 LEU . 36491 1 11 804 PHE . 36491 1 12 805 ILE . 36491 1 13 806 SER . 36491 1 14 807 GLY . 36491 1 15 808 LEU . 36491 1 16 809 PRO . 36491 1 17 810 PHE . 36491 1 18 811 SER . 36491 1 19 812 CYS . 36491 1 20 813 THR . 36491 1 21 814 LYS . 36491 1 22 815 GLU . 36491 1 23 816 GLU . 36491 1 24 817 LEU . 36491 1 25 818 GLU . 36491 1 26 819 GLU . 36491 1 27 820 ILE . 36491 1 28 821 CYS . 36491 1 29 822 LYS . 36491 1 30 823 ALA . 36491 1 31 824 HIS . 36491 1 32 825 GLY . 36491 1 33 826 THR . 36491 1 34 827 VAL . 36491 1 35 828 LYS . 36491 1 36 829 ASP . 36491 1 37 830 LEU . 36491 1 38 831 ARG . 36491 1 39 832 LEU . 36491 1 40 833 VAL . 36491 1 41 834 THR . 36491 1 42 835 ASN . 36491 1 43 836 ARG . 36491 1 44 837 ALA . 36491 1 45 838 GLY . 36491 1 46 839 LYS . 36491 1 47 840 PRO . 36491 1 48 841 LYS . 36491 1 49 842 GLY . 36491 1 50 843 LEU . 36491 1 51 844 ALA . 36491 1 52 845 TYR . 36491 1 53 846 VAL . 36491 1 54 847 GLU . 36491 1 55 848 TYR . 36491 1 56 849 GLU . 36491 1 57 850 ASN . 36491 1 58 851 GLU . 36491 1 59 852 SER . 36491 1 60 853 GLN . 36491 1 61 854 ALA . 36491 1 62 855 SER . 36491 1 63 856 GLN . 36491 1 64 857 ALA . 36491 1 65 858 VAL . 36491 1 66 859 MET . 36491 1 67 860 LYS . 36491 1 68 861 MET . 36491 1 69 862 ASP . 36491 1 70 863 GLY . 36491 1 71 864 MET . 36491 1 72 865 THR . 36491 1 73 866 ILE . 36491 1 74 867 LYS . 36491 1 75 868 GLU . 36491 1 76 869 ASN . 36491 1 77 870 ILE . 36491 1 78 871 ILE . 36491 1 79 872 LYS . 36491 1 80 873 VAL . 36491 1 81 874 ALA . 36491 1 82 875 ILE . 36491 1 83 876 SER . 36491 1 84 877 ASN . 36491 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 36491 1 . SER 2 2 36491 1 . HIS 3 3 36491 1 . MET 4 4 36491 1 . LEU 5 5 36491 1 . GLU 6 6 36491 1 . LYS 7 7 36491 1 . HIS 8 8 36491 1 . LYS 9 9 36491 1 . LEU 10 10 36491 1 . PHE 11 11 36491 1 . ILE 12 12 36491 1 . SER 13 13 36491 1 . GLY 14 14 36491 1 . LEU 15 15 36491 1 . PRO 16 16 36491 1 . PHE 17 17 36491 1 . SER 18 18 36491 1 . CYS 19 19 36491 1 . THR 20 20 36491 1 . LYS 21 21 36491 1 . GLU 22 22 36491 1 . GLU 23 23 36491 1 . LEU 24 24 36491 1 . GLU 25 25 36491 1 . GLU 26 26 36491 1 . ILE 27 27 36491 1 . CYS 28 28 36491 1 . LYS 29 29 36491 1 . ALA 30 30 36491 1 . HIS 31 31 36491 1 . GLY 32 32 36491 1 . THR 33 33 36491 1 . VAL 34 34 36491 1 . LYS 35 35 36491 1 . ASP 36 36 36491 1 . LEU 37 37 36491 1 . ARG 38 38 36491 1 . LEU 39 39 36491 1 . VAL 40 40 36491 1 . THR 41 41 36491 1 . ASN 42 42 36491 1 . ARG 43 43 36491 1 . ALA 44 44 36491 1 . GLY 45 45 36491 1 . LYS 46 46 36491 1 . PRO 47 47 36491 1 . LYS 48 48 36491 1 . GLY 49 49 36491 1 . LEU 50 50 36491 1 . ALA 51 51 36491 1 . TYR 52 52 36491 1 . VAL 53 53 36491 1 . GLU 54 54 36491 1 . TYR 55 55 36491 1 . GLU 56 56 36491 1 . ASN 57 57 36491 1 . GLU 58 58 36491 1 . SER 59 59 36491 1 . GLN 60 60 36491 1 . ALA 61 61 36491 1 . SER 62 62 36491 1 . GLN 63 63 36491 1 . ALA 64 64 36491 1 . VAL 65 65 36491 1 . MET 66 66 36491 1 . LYS 67 67 36491 1 . MET 68 68 36491 1 . ASP 69 69 36491 1 . GLY 70 70 36491 1 . MET 71 71 36491 1 . THR 72 72 36491 1 . ILE 73 73 36491 1 . LYS 74 74 36491 1 . GLU 75 75 36491 1 . ASN 76 76 36491 1 . ILE 77 77 36491 1 . ILE 78 78 36491 1 . LYS 79 79 36491 1 . VAL 80 80 36491 1 . ALA 81 81 36491 1 . ILE 82 82 36491 1 . SER 83 83 36491 1 . ASN 84 84 36491 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36491 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SART3, KIAA0156, TIP110' . 36491 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 36491 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36491 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36491 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-100% 13C; U-100% 15N] Human SART3 RRM2, 20 mM sodium phosphate, 1 mM DTT, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human SART3 RRM2' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.8 . . mM . . . . 36491 1 2 DTT 'natural abundance' . . . . . 'reducing agent' 1 . . mM . . . . 36491 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 36491 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36491 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36491 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 36491 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 20 . mM 36491 1 pH 6.5 . pH 36491 1 pressure 1 . atm 36491 1 temperature 298 . K 36491 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36491 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36491 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36491 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36491 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NMRFAM-SPARKY . . 36491 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36491 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36491 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36491 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36491 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36491 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36491 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36491 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36491 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36491 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36491 5 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 36491 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36491 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker ascend . 800 . . . 36491 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 36491 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36491 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36491 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 36491 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36491 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36491 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 36491 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36491 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36491 1 3 '3D HNCACB' 1 $sample_1 isotropic 36491 1 4 '3D HNCO' 1 $sample_1 isotropic 36491 1 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36491 1 6 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36491 1 7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36491 1 8 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36491 1 9 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36491 1 10 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36491 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 HIS HA H 1 4.679 0.00 . 1 . . . . A 796 HIS HA . 36491 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.208 0.01 . . . . . . A 796 HIS HB2 . 36491 1 3 . 1 . 1 3 3 HIS HB3 H 1 3.120 0.01 . . . . . . A 796 HIS HB3 . 36491 1 4 . 1 . 1 3 3 HIS HD2 H 1 7.127 0.01 . 1 . . . . A 796 HIS HD2 . 36491 1 5 . 1 . 1 3 3 HIS C C 13 172.115 0.02 . 1 . . . . A 796 HIS C . 36491 1 6 . 1 . 1 3 3 HIS CA C 13 56.577 0.06 . 1 . . . . A 796 HIS CA . 36491 1 7 . 1 . 1 3 3 HIS CB C 13 30.378 0.08 . 1 . . . . A 796 HIS CB . 36491 1 8 . 1 . 1 3 3 HIS CD2 C 13 119.984 0.02 . 1 . . . . A 796 HIS CD2 . 36491 1 9 . 1 . 1 4 4 MET H H 1 8.362 0.00 . 1 . . . . A 797 MET H . 36491 1 10 . 1 . 1 4 4 MET HA H 1 4.426 0.01 . 1 . . . . A 797 MET HA . 36491 1 11 . 1 . 1 4 4 MET HB2 H 1 2.050 0.01 . . . . . . A 797 MET HB2 . 36491 1 12 . 1 . 1 4 4 MET HB3 H 1 1.979 0.01 . . . . . . A 797 MET HB3 . 36491 1 13 . 1 . 1 4 4 MET HG2 H 1 2.529 0.00 . . . . . . A 797 MET HG2 . 36491 1 14 . 1 . 1 4 4 MET HG3 H 1 2.472 0.00 . . . . . . A 797 MET HG3 . 36491 1 15 . 1 . 1 4 4 MET C C 13 173.027 0.02 . 1 . . . . A 797 MET C . 36491 1 16 . 1 . 1 4 4 MET CA C 13 56.166 0.07 . 1 . . . . A 797 MET CA . 36491 1 17 . 1 . 1 4 4 MET CB C 13 33.344 0.07 . 1 . . . . A 797 MET CB . 36491 1 18 . 1 . 1 4 4 MET CG C 13 32.490 0.00 . 1 . . . . A 797 MET CG . 36491 1 19 . 1 . 1 4 4 MET N N 15 121.696 0.01 . 1 . . . . A 797 MET N . 36491 1 20 . 1 . 1 5 5 LEU H H 1 8.305 0.00 . 1 . . . . A 798 LEU H . 36491 1 21 . 1 . 1 5 5 LEU HA H 1 4.300 0.00 . 1 . . . . A 798 LEU HA . 36491 1 22 . 1 . 1 5 5 LEU HB2 H 1 1.585 0.01 . . . . . . A 798 LEU HB2 . 36491 1 23 . 1 . 1 5 5 LEU HB3 H 1 1.501 0.01 . . . . . . A 798 LEU HB3 . 36491 1 24 . 1 . 1 5 5 LEU HG H 1 1.550 0.01 . 1 . . . . A 798 LEU HG . 36491 1 25 . 1 . 1 5 5 LEU HD11 H 1 0.912 0.01 . . . . . . A 798 LEU HD11 . 36491 1 26 . 1 . 1 5 5 LEU HD12 H 1 0.912 0.01 . . . . . . A 798 LEU HD12 . 36491 1 27 . 1 . 1 5 5 LEU HD13 H 1 0.912 0.01 . . . . . . A 798 LEU HD13 . 36491 1 28 . 1 . 1 5 5 LEU HD21 H 1 0.855 0.01 . . . . . . A 798 LEU HD21 . 36491 1 29 . 1 . 1 5 5 LEU HD22 H 1 0.855 0.01 . . . . . . A 798 LEU HD22 . 36491 1 30 . 1 . 1 5 5 LEU HD23 H 1 0.855 0.01 . . . . . . A 798 LEU HD23 . 36491 1 31 . 1 . 1 5 5 LEU C C 13 174.218 0.02 . 1 . . . . A 798 LEU C . 36491 1 32 . 1 . 1 5 5 LEU CA C 13 55.677 0.11 . 1 . . . . A 798 LEU CA . 36491 1 33 . 1 . 1 5 5 LEU CB C 13 42.629 0.12 . 1 . . . . A 798 LEU CB . 36491 1 34 . 1 . 1 5 5 LEU CG C 13 27.513 0.10 . 1 . . . . A 798 LEU CG . 36491 1 35 . 1 . 1 5 5 LEU CD1 C 13 25.174 0.31 . . . . . . A 798 LEU CD1 . 36491 1 36 . 1 . 1 5 5 LEU N N 15 123.065 0.01 . 1 . . . . A 798 LEU N . 36491 1 37 . 1 . 1 6 6 GLU H H 1 8.332 0.01 . 1 . . . . A 799 GLU H . 36491 1 38 . 1 . 1 6 6 GLU HA H 1 4.369 0.00 . 1 . . . . A 799 GLU HA . 36491 1 39 . 1 . 1 6 6 GLU HB2 H 1 1.956 0.01 . . . . . . A 799 GLU HB2 . 36491 1 40 . 1 . 1 6 6 GLU HB3 H 1 1.956 0.01 . . . . . . A 799 GLU HB3 . 36491 1 41 . 1 . 1 6 6 GLU HG2 H 1 2.276 0.00 . . . . . . A 799 GLU HG2 . 36491 1 42 . 1 . 1 6 6 GLU HG3 H 1 2.240 0.01 . . . . . . A 799 GLU HG3 . 36491 1 43 . 1 . 1 6 6 GLU C C 13 173.650 0.00 . 1 . . . . A 799 GLU C . 36491 1 44 . 1 . 1 6 6 GLU CA C 13 56.910 0.09 . 1 . . . . A 799 GLU CA . 36491 1 45 . 1 . 1 6 6 GLU CB C 13 31.341 0.16 . 1 . . . . A 799 GLU CB . 36491 1 46 . 1 . 1 6 6 GLU CG C 13 36.982 0.08 . 1 . . . . A 799 GLU CG . 36491 1 47 . 1 . 1 6 6 GLU N N 15 121.868 0.02 . 1 . . . . A 799 GLU N . 36491 1 48 . 1 . 1 7 7 LYS H H 1 8.623 0.01 . 1 . . . . A 800 LYS H . 36491 1 49 . 1 . 1 7 7 LYS HA H 1 4.379 0.01 . 1 . . . . A 800 LYS HA . 36491 1 50 . 1 . 1 7 7 LYS HB2 H 1 1.859 0.01 . . . . . . A 800 LYS HB2 . 36491 1 51 . 1 . 1 7 7 LYS HB3 H 1 1.769 0.01 . . . . . . A 800 LYS HB3 . 36491 1 52 . 1 . 1 7 7 LYS HG2 H 1 1.466 0.01 . . . . . . A 800 LYS HG2 . 36491 1 53 . 1 . 1 7 7 LYS HG3 H 1 1.341 0.01 . . . . . . A 800 LYS HG3 . 36491 1 54 . 1 . 1 7 7 LYS HD2 H 1 1.658 0.01 . . . . . . A 800 LYS HD2 . 36491 1 55 . 1 . 1 7 7 LYS HD3 H 1 1.658 0.01 . . . . . . A 800 LYS HD3 . 36491 1 56 . 1 . 1 7 7 LYS HE2 H 1 2.978 0.02 . . . . . . A 800 LYS HE2 . 36491 1 57 . 1 . 1 7 7 LYS HE3 H 1 2.978 0.02 . . . . . . A 800 LYS HE3 . 36491 1 58 . 1 . 1 7 7 LYS C C 13 172.377 0.00 . 1 . . . . A 800 LYS C . 36491 1 59 . 1 . 1 7 7 LYS CA C 13 56.832 0.09 . 1 . . . . A 800 LYS CA . 36491 1 60 . 1 . 1 7 7 LYS CB C 13 33.022 0.13 . 1 . . . . A 800 LYS CB . 36491 1 61 . 1 . 1 7 7 LYS CG C 13 25.685 0.11 . 1 . . . . A 800 LYS CG . 36491 1 62 . 1 . 1 7 7 LYS CD C 13 29.877 0.16 . 1 . . . . A 800 LYS CD . 36491 1 63 . 1 . 1 7 7 LYS N N 15 120.872 0.01 . 1 . . . . A 800 LYS N . 36491 1 64 . 1 . 1 8 8 HIS H H 1 8.579 0.00 . 1 . . . . A 801 HIS H . 36491 1 65 . 1 . 1 8 8 HIS HA H 1 4.727 0.01 . 1 . . . . A 801 HIS HA . 36491 1 66 . 1 . 1 8 8 HIS HB2 H 1 3.253 0.01 . . . . . . A 801 HIS HB2 . 36491 1 67 . 1 . 1 8 8 HIS HB3 H 1 2.969 0.01 . . . . . . A 801 HIS HB3 . 36491 1 68 . 1 . 1 8 8 HIS HD2 H 1 7.038 0.01 . 1 . . . . A 801 HIS HD2 . 36491 1 69 . 1 . 1 8 8 HIS C C 13 170.346 0.02 . 1 . . . . A 801 HIS C . 36491 1 70 . 1 . 1 8 8 HIS CA C 13 55.415 0.10 . 1 . . . . A 801 HIS CA . 36491 1 71 . 1 . 1 8 8 HIS CB C 13 30.000 0.10 . 1 . . . . A 801 HIS CB . 36491 1 72 . 1 . 1 8 8 HIS CD2 C 13 119.938 0.03 . 1 . . . . A 801 HIS CD2 . 36491 1 73 . 1 . 1 8 8 HIS N N 15 116.616 0.02 . 1 . . . . A 801 HIS N . 36491 1 74 . 1 . 1 9 9 LYS H H 1 7.983 0.01 . 1 . . . . A 802 LYS H . 36491 1 75 . 1 . 1 9 9 LYS HA H 1 5.393 0.00 . 1 . . . . A 802 LYS HA . 36491 1 76 . 1 . 1 9 9 LYS HB2 H 1 1.858 0.00 . . . . . . A 802 LYS HB2 . 36491 1 77 . 1 . 1 9 9 LYS HB3 H 1 1.585 0.01 . . . . . . A 802 LYS HB3 . 36491 1 78 . 1 . 1 9 9 LYS HG2 H 1 1.158 0.01 . . . . . . A 802 LYS HG2 . 36491 1 79 . 1 . 1 9 9 LYS HG3 H 1 1.158 0.01 . . . . . . A 802 LYS HG3 . 36491 1 80 . 1 . 1 9 9 LYS HD2 H 1 1.539 0.01 . . . . . . A 802 LYS HD2 . 36491 1 81 . 1 . 1 9 9 LYS HD3 H 1 1.539 0.01 . . . . . . A 802 LYS HD3 . 36491 1 82 . 1 . 1 9 9 LYS HE2 H 1 2.735 0.01 . . . . . . A 802 LYS HE2 . 36491 1 83 . 1 . 1 9 9 LYS HE3 H 1 2.735 0.01 . . . . . . A 802 LYS HE3 . 36491 1 84 . 1 . 1 9 9 LYS C C 13 172.014 0.02 . 1 . . . . A 802 LYS C . 36491 1 85 . 1 . 1 9 9 LYS CA C 13 55.510 0.09 . 1 . . . . A 802 LYS CA . 36491 1 86 . 1 . 1 9 9 LYS CB C 13 36.229 0.07 . 1 . . . . A 802 LYS CB . 36491 1 87 . 1 . 1 9 9 LYS CG C 13 25.969 0.09 . 1 . . . . A 802 LYS CG . 36491 1 88 . 1 . 1 9 9 LYS CD C 13 30.304 0.11 . 1 . . . . A 802 LYS CD . 36491 1 89 . 1 . 1 9 9 LYS CE C 13 42.348 0.10 . 1 . . . . A 802 LYS CE . 36491 1 90 . 1 . 1 9 9 LYS N N 15 120.720 0.05 . 1 . . . . A 802 LYS N . 36491 1 91 . 1 . 1 10 10 LEU H H 1 9.534 0.01 . 1 . . . . A 803 LEU H . 36491 1 92 . 1 . 1 10 10 LEU HA H 1 5.155 0.01 . 1 . . . . A 803 LEU HA . 36491 1 93 . 1 . 1 10 10 LEU HB2 H 1 1.708 0.01 . . . . . . A 803 LEU HB2 . 36491 1 94 . 1 . 1 10 10 LEU HB3 H 1 1.451 0.01 . . . . . . A 803 LEU HB3 . 36491 1 95 . 1 . 1 10 10 LEU HG H 1 1.747 0.00 . 1 . . . . A 803 LEU HG . 36491 1 96 . 1 . 1 10 10 LEU HD11 H 1 0.994 0.01 . . . . . . A 803 LEU HD11 . 36491 1 97 . 1 . 1 10 10 LEU HD12 H 1 0.994 0.01 . . . . . . A 803 LEU HD12 . 36491 1 98 . 1 . 1 10 10 LEU HD13 H 1 0.994 0.01 . . . . . . A 803 LEU HD13 . 36491 1 99 . 1 . 1 10 10 LEU HD21 H 1 0.871 0.00 . . . . . . A 803 LEU HD21 . 36491 1 100 . 1 . 1 10 10 LEU HD22 H 1 0.871 0.00 . . . . . . A 803 LEU HD22 . 36491 1 101 . 1 . 1 10 10 LEU HD23 H 1 0.871 0.00 . . . . . . A 803 LEU HD23 . 36491 1 102 . 1 . 1 10 10 LEU C C 13 173.105 0.02 . 1 . . . . A 803 LEU C . 36491 1 103 . 1 . 1 10 10 LEU CA C 13 53.919 0.08 . 1 . . . . A 803 LEU CA . 36491 1 104 . 1 . 1 10 10 LEU CB C 13 46.088 0.10 . 1 . . . . A 803 LEU CB . 36491 1 105 . 1 . 1 10 10 LEU CG C 13 28.290 0.18 . 1 . . . . A 803 LEU CG . 36491 1 106 . 1 . 1 10 10 LEU CD1 C 13 26.255 0.13 . . . . . . A 803 LEU CD1 . 36491 1 107 . 1 . 1 10 10 LEU N N 15 121.277 0.01 . 1 . . . . A 803 LEU N . 36491 1 108 . 1 . 1 11 11 PHE H H 1 9.291 0.01 . 1 . . . . A 804 PHE H . 36491 1 109 . 1 . 1 11 11 PHE HA H 1 5.251 0.01 . 1 . . . . A 804 PHE HA . 36491 1 110 . 1 . 1 11 11 PHE HB2 H 1 3.010 0.01 . . . . . . A 804 PHE HB2 . 36491 1 111 . 1 . 1 11 11 PHE HB3 H 1 2.894 0.01 . . . . . . A 804 PHE HB3 . 36491 1 112 . 1 . 1 11 11 PHE HD1 H 1 6.807 0.01 . . . . . . A 804 PHE HD1 . 36491 1 113 . 1 . 1 11 11 PHE HD2 H 1 6.807 0.01 . . . . . . A 804 PHE HD2 . 36491 1 114 . 1 . 1 11 11 PHE HE1 H 1 7.092 0.00 . . . . . . A 804 PHE HE1 . 36491 1 115 . 1 . 1 11 11 PHE HE2 H 1 7.092 0.00 . . . . . . A 804 PHE HE2 . 36491 1 116 . 1 . 1 11 11 PHE C C 13 171.497 0.01 . 1 . . . . A 804 PHE C . 36491 1 117 . 1 . 1 11 11 PHE CA C 13 56.134 0.07 . 1 . . . . A 804 PHE CA . 36491 1 118 . 1 . 1 11 11 PHE CB C 13 42.247 0.08 . 1 . . . . A 804 PHE CB . 36491 1 119 . 1 . 1 11 11 PHE CD1 C 13 131.870 0.04 . . . . . . A 804 PHE CD1 . 36491 1 120 . 1 . 1 11 11 PHE CE1 C 13 130.941 0.08 . . . . . . A 804 PHE CE1 . 36491 1 121 . 1 . 1 11 11 PHE N N 15 121.643 0.01 . 1 . . . . A 804 PHE N . 36491 1 122 . 1 . 1 12 12 ILE H H 1 8.899 0.01 . 1 . . . . A 805 ILE H . 36491 1 123 . 1 . 1 12 12 ILE HA H 1 4.807 0.01 . 1 . . . . A 805 ILE HA . 36491 1 124 . 1 . 1 12 12 ILE HB H 1 1.440 0.01 . 1 . . . . A 805 ILE HB . 36491 1 125 . 1 . 1 12 12 ILE HG12 H 1 1.507 0.01 . . . . . . A 805 ILE HG12 . 36491 1 126 . 1 . 1 12 12 ILE HG13 H 1 0.946 0.01 . . . . . . A 805 ILE HG13 . 36491 1 127 . 1 . 1 12 12 ILE HG21 H 1 0.759 0.01 . 1 . . . . A 805 ILE HG21 . 36491 1 128 . 1 . 1 12 12 ILE HG22 H 1 0.759 0.01 . 1 . . . . A 805 ILE HG22 . 36491 1 129 . 1 . 1 12 12 ILE HG23 H 1 0.759 0.01 . 1 . . . . A 805 ILE HG23 . 36491 1 130 . 1 . 1 12 12 ILE HD11 H 1 0.659 0.01 . 1 . . . . A 805 ILE HD11 . 36491 1 131 . 1 . 1 12 12 ILE HD12 H 1 0.659 0.01 . 1 . . . . A 805 ILE HD12 . 36491 1 132 . 1 . 1 12 12 ILE HD13 H 1 0.659 0.01 . 1 . . . . A 805 ILE HD13 . 36491 1 133 . 1 . 1 12 12 ILE C C 13 170.594 0.02 . 1 . . . . A 805 ILE C . 36491 1 134 . 1 . 1 12 12 ILE CA C 13 60.399 0.17 . 1 . . . . A 805 ILE CA . 36491 1 135 . 1 . 1 12 12 ILE CB C 13 40.873 0.09 . 1 . . . . A 805 ILE CB . 36491 1 136 . 1 . 1 12 12 ILE CG1 C 13 28.155 0.16 . 1 . . . . A 805 ILE CG1 . 36491 1 137 . 1 . 1 12 12 ILE CG2 C 13 17.967 0.26 . 1 . . . . A 805 ILE CG2 . 36491 1 138 . 1 . 1 12 12 ILE CD1 C 13 14.742 0.10 . 1 . . . . A 805 ILE CD1 . 36491 1 139 . 1 . 1 12 12 ILE N N 15 128.538 0.02 . 1 . . . . A 805 ILE N . 36491 1 140 . 1 . 1 13 13 SER H H 1 9.102 0.01 . 1 . . . . A 806 SER H . 36491 1 141 . 1 . 1 13 13 SER HA H 1 5.162 0.01 . 1 . . . . A 806 SER HA . 36491 1 142 . 1 . 1 13 13 SER HB2 H 1 3.765 0.00 . . . . . . A 806 SER HB2 . 36491 1 143 . 1 . 1 13 13 SER HB3 H 1 3.380 0.00 . . . . . . A 806 SER HB3 . 36491 1 144 . 1 . 1 13 13 SER C C 13 170.791 0.03 . 1 . . . . A 806 SER C . 36491 1 145 . 1 . 1 13 13 SER CA C 13 56.661 0.05 . 1 . . . . A 806 SER CA . 36491 1 146 . 1 . 1 13 13 SER CB C 13 67.201 0.14 . 1 . . . . A 806 SER CB . 36491 1 147 . 1 . 1 13 13 SER N N 15 118.691 0.02 . 1 . . . . A 806 SER N . 36491 1 148 . 1 . 1 14 14 GLY H H 1 7.983 0.01 . 1 . . . . A 807 GLY H . 36491 1 149 . 1 . 1 14 14 GLY HA2 H 1 4.353 0.01 . . . . . . A 807 GLY HA2 . 36491 1 150 . 1 . 1 14 14 GLY HA3 H 1 3.720 0.01 . . . . . . A 807 GLY HA3 . 36491 1 151 . 1 . 1 14 14 GLY C C 13 172.655 0.01 . 1 . . . . A 807 GLY C . 36491 1 152 . 1 . 1 14 14 GLY CA C 13 45.964 0.12 . 1 . . . . A 807 GLY CA . 36491 1 153 . 1 . 1 14 14 GLY N N 15 108.153 0.01 . 1 . . . . A 807 GLY N . 36491 1 154 . 1 . 1 15 15 LEU H H 1 8.277 0.01 . 1 . . . . A 808 LEU H . 36491 1 155 . 1 . 1 15 15 LEU HA H 1 3.957 0.01 . 1 . . . . A 808 LEU HA . 36491 1 156 . 1 . 1 15 15 LEU HB2 H 1 1.255 0.01 . . . . . . A 808 LEU HB2 . 36491 1 157 . 1 . 1 15 15 LEU HB3 H 1 1.193 0.00 . . . . . . A 808 LEU HB3 . 36491 1 158 . 1 . 1 15 15 LEU HG H 1 1.339 0.00 . 1 . . . . A 808 LEU HG . 36491 1 159 . 1 . 1 15 15 LEU HD11 H 1 0.826 0.01 . . . . . . A 808 LEU HD11 . 36491 1 160 . 1 . 1 15 15 LEU HD12 H 1 0.826 0.01 . . . . . . A 808 LEU HD12 . 36491 1 161 . 1 . 1 15 15 LEU HD13 H 1 0.826 0.01 . . . . . . A 808 LEU HD13 . 36491 1 162 . 1 . 1 15 15 LEU HD21 H 1 0.566 0.01 . . . . . . A 808 LEU HD21 . 36491 1 163 . 1 . 1 15 15 LEU HD22 H 1 0.566 0.01 . . . . . . A 808 LEU HD22 . 36491 1 164 . 1 . 1 15 15 LEU HD23 H 1 0.566 0.01 . . . . . . A 808 LEU HD23 . 36491 1 165 . 1 . 1 15 15 LEU C C 13 172.242 0.00 . 1 . . . . A 808 LEU C . 36491 1 166 . 1 . 1 15 15 LEU CA C 13 53.851 0.07 . 1 . . . . A 808 LEU CA . 36491 1 167 . 1 . 1 15 15 LEU CB C 13 42.106 0.04 . 1 . . . . A 808 LEU CB . 36491 1 168 . 1 . 1 15 15 LEU CG C 13 27.304 0.24 . 1 . . . . A 808 LEU CG . 36491 1 169 . 1 . 1 15 15 LEU CD1 C 13 25.592 0.11 . . . . . . A 808 LEU CD1 . 36491 1 170 . 1 . 1 15 15 LEU N N 15 119.317 0.01 . 1 . . . . A 808 LEU N . 36491 1 171 . 1 . 1 16 16 PRO HA H 1 4.410 0.01 . 1 . . . . A 809 PRO HA . 36491 1 172 . 1 . 1 16 16 PRO HB2 H 1 2.277 0.00 . . . . . . A 809 PRO HB2 . 36491 1 173 . 1 . 1 16 16 PRO HB3 H 1 1.958 0.01 . . . . . . A 809 PRO HB3 . 36491 1 174 . 1 . 1 16 16 PRO HG2 H 1 2.179 0.01 . . . . . . A 809 PRO HG2 . 36491 1 175 . 1 . 1 16 16 PRO HG3 H 1 1.878 0.01 . . . . . . A 809 PRO HG3 . 36491 1 176 . 1 . 1 16 16 PRO HD2 H 1 3.633 0.01 . . . . . . A 809 PRO HD2 . 36491 1 177 . 1 . 1 16 16 PRO HD3 H 1 3.348 0.01 . . . . . . A 809 PRO HD3 . 36491 1 178 . 1 . 1 16 16 PRO C C 13 175.975 0.00 . 1 . . . . A 809 PRO C . 36491 1 179 . 1 . 1 16 16 PRO CA C 13 62.804 0.10 . 1 . . . . A 809 PRO CA . 36491 1 180 . 1 . 1 16 16 PRO CB C 13 31.685 0.10 . 1 . . . . A 809 PRO CB . 36491 1 181 . 1 . 1 16 16 PRO CG C 13 28.254 0.10 . 1 . . . . A 809 PRO CG . 36491 1 182 . 1 . 1 16 16 PRO CD C 13 49.922 0.08 . 1 . . . . A 809 PRO CD . 36491 1 183 . 1 . 1 17 17 PHE H H 1 8.770 0.01 . 1 . . . . A 810 PHE H . 36491 1 184 . 1 . 1 17 17 PHE HA H 1 4.335 0.00 . 1 . . . . A 810 PHE HA . 36491 1 185 . 1 . 1 17 17 PHE HB2 H 1 3.237 0.01 . . . . . . A 810 PHE HB2 . 36491 1 186 . 1 . 1 17 17 PHE HB3 H 1 3.094 0.01 . . . . . . A 810 PHE HB3 . 36491 1 187 . 1 . 1 17 17 PHE HD1 H 1 7.174 0.01 . . . . . . A 810 PHE HD1 . 36491 1 188 . 1 . 1 17 17 PHE HD2 H 1 7.174 0.01 . . . . . . A 810 PHE HD2 . 36491 1 189 . 1 . 1 17 17 PHE C C 13 173.608 0.01 . 1 . . . . A 810 PHE C . 36491 1 190 . 1 . 1 17 17 PHE CA C 13 59.334 0.06 . 1 . . . . A 810 PHE CA . 36491 1 191 . 1 . 1 17 17 PHE CB C 13 37.918 0.06 . 1 . . . . A 810 PHE CB . 36491 1 192 . 1 . 1 17 17 PHE CD1 C 13 130.721 0.09 . . . . . . A 810 PHE CD1 . 36491 1 193 . 1 . 1 17 17 PHE N N 15 124.223 0.01 . 1 . . . . A 810 PHE N . 36491 1 194 . 1 . 1 18 18 SER H H 1 7.757 0.01 . 1 . . . . A 811 SER H . 36491 1 195 . 1 . 1 18 18 SER HA H 1 4.260 0.01 . 1 . . . . A 811 SER HA . 36491 1 196 . 1 . 1 18 18 SER HB2 H 1 4.062 0.01 . . . . . . A 811 SER HB2 . 36491 1 197 . 1 . 1 18 18 SER HB3 H 1 3.778 0.00 . . . . . . A 811 SER HB3 . 36491 1 198 . 1 . 1 18 18 SER C C 13 171.972 0.02 . 1 . . . . A 811 SER C . 36491 1 199 . 1 . 1 18 18 SER CA C 13 58.308 0.16 . 1 . . . . A 811 SER CA . 36491 1 200 . 1 . 1 18 18 SER CB C 13 63.809 0.05 . 1 . . . . A 811 SER CB . 36491 1 201 . 1 . 1 18 18 SER N N 15 109.816 0.01 . 1 . . . . A 811 SER N . 36491 1 202 . 1 . 1 19 19 CYS H H 1 7.367 0.01 . 1 . . . . A 812 CYS H . 36491 1 203 . 1 . 1 19 19 CYS HA H 1 4.591 0.00 . 1 . . . . A 812 CYS HA . 36491 1 204 . 1 . 1 19 19 CYS HB2 H 1 2.985 0.01 . . . . . . A 812 CYS HB2 . 36491 1 205 . 1 . 1 19 19 CYS HB3 H 1 2.394 0.01 . . . . . . A 812 CYS HB3 . 36491 1 206 . 1 . 1 19 19 CYS C C 13 171.511 0.01 . 1 . . . . A 812 CYS C . 36491 1 207 . 1 . 1 19 19 CYS CA C 13 60.349 0.07 . 1 . . . . A 812 CYS CA . 36491 1 208 . 1 . 1 19 19 CYS CB C 13 27.769 0.12 . 1 . . . . A 812 CYS CB . 36491 1 209 . 1 . 1 19 19 CYS N N 15 122.862 0.01 . 1 . . . . A 812 CYS N . 36491 1 210 . 1 . 1 20 20 THR H H 1 8.678 0.01 . 1 . . . . A 813 THR H . 36491 1 211 . 1 . 1 20 20 THR HA H 1 4.767 0.01 . 1 . . . . A 813 THR HA . 36491 1 212 . 1 . 1 20 20 THR HB H 1 4.584 0.02 . 1 . . . . A 813 THR HB . 36491 1 213 . 1 . 1 20 20 THR C C 13 172.483 0.01 . 1 . . . . A 813 THR C . 36491 1 214 . 1 . 1 20 20 THR CA C 13 60.884 0.09 . 1 . . . . A 813 THR CA . 36491 1 215 . 1 . 1 20 20 THR CB C 13 72.544 0.00 . 1 . . . . A 813 THR CB . 36491 1 216 . 1 . 1 20 20 THR N N 15 120.663 0.03 . 1 . . . . A 813 THR N . 36491 1 217 . 1 . 1 21 21 LYS H H 1 9.143 0.01 . 1 . . . . A 814 LYS H . 36491 1 218 . 1 . 1 21 21 LYS HA H 1 3.699 0.00 . 1 . . . . A 814 LYS HA . 36491 1 219 . 1 . 1 21 21 LYS HB2 H 1 1.916 0.01 . . . . . . A 814 LYS HB2 . 36491 1 220 . 1 . 1 21 21 LYS HB3 H 1 1.750 0.02 . . . . . . A 814 LYS HB3 . 36491 1 221 . 1 . 1 21 21 LYS HG2 H 1 1.364 0.01 . . . . . . A 814 LYS HG2 . 36491 1 222 . 1 . 1 21 21 LYS HG3 H 1 1.364 0.01 . . . . . . A 814 LYS HG3 . 36491 1 223 . 1 . 1 21 21 LYS HD2 H 1 1.712 0.01 . . . . . . A 814 LYS HD2 . 36491 1 224 . 1 . 1 21 21 LYS HD3 H 1 1.712 0.01 . . . . . . A 814 LYS HD3 . 36491 1 225 . 1 . 1 21 21 LYS HE2 H 1 3.038 0.01 . . . . . . A 814 LYS HE2 . 36491 1 226 . 1 . 1 21 21 LYS HE3 H 1 3.038 0.01 . . . . . . A 814 LYS HE3 . 36491 1 227 . 1 . 1 21 21 LYS C C 13 174.967 0.01 . 1 . . . . A 814 LYS C . 36491 1 228 . 1 . 1 21 21 LYS CA C 13 60.880 0.07 . 1 . . . . A 814 LYS CA . 36491 1 229 . 1 . 1 21 21 LYS CB C 13 32.864 0.12 . 1 . . . . A 814 LYS CB . 36491 1 230 . 1 . 1 21 21 LYS CG C 13 25.638 0.11 . 1 . . . . A 814 LYS CG . 36491 1 231 . 1 . 1 21 21 LYS CD C 13 30.271 0.11 . 1 . . . . A 814 LYS CD . 36491 1 232 . 1 . 1 21 21 LYS CE C 13 42.727 0.09 . 1 . . . . A 814 LYS CE . 36491 1 233 . 1 . 1 21 21 LYS N N 15 121.966 0.00 . 1 . . . . A 814 LYS N . 36491 1 234 . 1 . 1 22 22 GLU H H 1 8.986 0.00 . 1 . . . . A 815 GLU H . 36491 1 235 . 1 . 1 22 22 GLU HA H 1 4.042 0.01 . 1 . . . . A 815 GLU HA . 36491 1 236 . 1 . 1 22 22 GLU HB2 H 1 2.096 0.01 . . . . . . A 815 GLU HB2 . 36491 1 237 . 1 . 1 22 22 GLU HB3 H 1 1.939 0.01 . . . . . . A 815 GLU HB3 . 36491 1 238 . 1 . 1 22 22 GLU HG2 H 1 2.547 0.01 . . . . . . A 815 GLU HG2 . 36491 1 239 . 1 . 1 22 22 GLU HG3 H 1 2.283 0.01 . . . . . . A 815 GLU HG3 . 36491 1 240 . 1 . 1 22 22 GLU C C 13 176.891 0.04 . 1 . . . . A 815 GLU C . 36491 1 241 . 1 . 1 22 22 GLU CA C 13 61.426 0.07 . 1 . . . . A 815 GLU CA . 36491 1 242 . 1 . 1 22 22 GLU CB C 13 28.999 0.15 . 1 . . . . A 815 GLU CB . 36491 1 243 . 1 . 1 22 22 GLU CG C 13 38.035 0.07 . 1 . . . . A 815 GLU CG . 36491 1 244 . 1 . 1 22 22 GLU N N 15 117.860 0.01 . 1 . . . . A 815 GLU N . 36491 1 245 . 1 . 1 23 23 GLU H H 1 7.830 0.00 . 1 . . . . A 816 GLU H . 36491 1 246 . 1 . 1 23 23 GLU HA H 1 4.032 0.01 . 1 . . . . A 816 GLU HA . 36491 1 247 . 1 . 1 23 23 GLU HB2 H 1 2.341 0.01 . . . . . . A 816 GLU HB2 . 36491 1 248 . 1 . 1 23 23 GLU HB3 H 1 1.912 0.00 . . . . . . A 816 GLU HB3 . 36491 1 249 . 1 . 1 23 23 GLU HG2 H 1 2.289 0.00 . . . . . . A 816 GLU HG2 . 36491 1 250 . 1 . 1 23 23 GLU HG3 H 1 2.289 0.00 . . . . . . A 816 GLU HG3 . 36491 1 251 . 1 . 1 23 23 GLU C C 13 176.837 0.02 . 1 . . . . A 816 GLU C . 36491 1 252 . 1 . 1 23 23 GLU CA C 13 59.391 0.13 . 1 . . . . A 816 GLU CA . 36491 1 253 . 1 . 1 23 23 GLU CB C 13 30.900 0.34 . 1 . . . . A 816 GLU CB . 36491 1 254 . 1 . 1 23 23 GLU CG C 13 37.400 0.09 . 1 . . . . A 816 GLU CG . 36491 1 255 . 1 . 1 23 23 GLU N N 15 120.430 0.01 . 1 . . . . A 816 GLU N . 36491 1 256 . 1 . 1 24 24 LEU H H 1 7.912 0.00 . 1 . . . . A 817 LEU H . 36491 1 257 . 1 . 1 24 24 LEU HA H 1 4.111 0.01 . 1 . . . . A 817 LEU HA . 36491 1 258 . 1 . 1 24 24 LEU HB2 H 1 1.783 0.00 . . . . . . A 817 LEU HB2 . 36491 1 259 . 1 . 1 24 24 LEU HB3 H 1 1.344 0.00 . . . . . . A 817 LEU HB3 . 36491 1 260 . 1 . 1 24 24 LEU HG H 1 1.575 0.01 . 1 . . . . A 817 LEU HG . 36491 1 261 . 1 . 1 24 24 LEU HD11 H 1 0.762 0.01 . . . . . . A 817 LEU HD11 . 36491 1 262 . 1 . 1 24 24 LEU HD12 H 1 0.762 0.01 . . . . . . A 817 LEU HD12 . 36491 1 263 . 1 . 1 24 24 LEU HD13 H 1 0.762 0.01 . . . . . . A 817 LEU HD13 . 36491 1 264 . 1 . 1 24 24 LEU HD21 H 1 0.635 0.00 . . . . . . A 817 LEU HD21 . 36491 1 265 . 1 . 1 24 24 LEU HD22 H 1 0.635 0.00 . . . . . . A 817 LEU HD22 . 36491 1 266 . 1 . 1 24 24 LEU HD23 H 1 0.635 0.00 . . . . . . A 817 LEU HD23 . 36491 1 267 . 1 . 1 24 24 LEU C C 13 175.977 0.00 . 1 . . . . A 817 LEU C . 36491 1 268 . 1 . 1 24 24 LEU CA C 13 57.336 0.06 . 1 . . . . A 817 LEU CA . 36491 1 269 . 1 . 1 24 24 LEU CB C 13 42.227 0.10 . 1 . . . . A 817 LEU CB . 36491 1 270 . 1 . 1 24 24 LEU CD1 C 13 26.644 0.14 . . . . . . A 817 LEU CD1 . 36491 1 271 . 1 . 1 24 24 LEU CD2 C 13 23.484 0.09 . . . . . . A 817 LEU CD2 . 36491 1 272 . 1 . 1 24 24 LEU N N 15 119.896 0.01 . 1 . . . . A 817 LEU N . 36491 1 273 . 1 . 1 25 25 GLU H H 1 9.038 0.01 . 1 . . . . A 818 GLU H . 36491 1 274 . 1 . 1 25 25 GLU HA H 1 3.485 0.01 . 1 . . . . A 818 GLU HA . 36491 1 275 . 1 . 1 25 25 GLU HB2 H 1 2.199 0.00 . . . . . . A 818 GLU HB2 . 36491 1 276 . 1 . 1 25 25 GLU HB3 H 1 2.061 0.00 . . . . . . A 818 GLU HB3 . 36491 1 277 . 1 . 1 25 25 GLU HG2 H 1 2.156 0.01 . . . . . . A 818 GLU HG2 . 36491 1 278 . 1 . 1 25 25 GLU HG3 H 1 2.156 0.01 . . . . . . A 818 GLU HG3 . 36491 1 279 . 1 . 1 25 25 GLU C C 13 174.959 0.01 . 1 . . . . A 818 GLU C . 36491 1 280 . 1 . 1 25 25 GLU CA C 13 61.477 0.07 . 1 . . . . A 818 GLU CA . 36491 1 281 . 1 . 1 25 25 GLU CB C 13 30.120 0.14 . 1 . . . . A 818 GLU CB . 36491 1 282 . 1 . 1 25 25 GLU CG C 13 37.625 0.11 . 1 . . . . A 818 GLU CG . 36491 1 283 . 1 . 1 25 25 GLU N N 15 122.031 0.01 . 1 . . . . A 818 GLU N . 36491 1 284 . 1 . 1 26 26 GLU H H 1 7.539 0.01 . 1 . . . . A 819 GLU H . 36491 1 285 . 1 . 1 26 26 GLU HA H 1 3.883 0.01 . 1 . . . . A 819 GLU HA . 36491 1 286 . 1 . 1 26 26 GLU HB2 H 1 2.106 0.01 . . . . . . A 819 GLU HB2 . 36491 1 287 . 1 . 1 26 26 GLU HB3 H 1 2.106 0.01 . . . . . . A 819 GLU HB3 . 36491 1 288 . 1 . 1 26 26 GLU HG2 H 1 2.328 0.01 . . . . . . A 819 GLU HG2 . 36491 1 289 . 1 . 1 26 26 GLU HG3 H 1 2.315 0.00 . . . . . . A 819 GLU HG3 . 36491 1 290 . 1 . 1 26 26 GLU C C 13 175.978 0.00 . 1 . . . . A 819 GLU C . 36491 1 291 . 1 . 1 26 26 GLU CA C 13 59.952 0.09 . 1 . . . . A 819 GLU CA . 36491 1 292 . 1 . 1 26 26 GLU CB C 13 29.892 0.11 . 1 . . . . A 819 GLU CB . 36491 1 293 . 1 . 1 26 26 GLU CG C 13 36.322 0.06 . 1 . . . . A 819 GLU CG . 36491 1 294 . 1 . 1 26 26 GLU N N 15 116.871 0.01 . 1 . . . . A 819 GLU N . 36491 1 295 . 1 . 1 27 27 ILE H H 1 7.198 0.01 . 1 . . . . A 820 ILE H . 36491 1 296 . 1 . 1 27 27 ILE HA H 1 3.764 0.01 . 1 . . . . A 820 ILE HA . 36491 1 297 . 1 . 1 27 27 ILE HB H 1 1.984 0.01 . 1 . . . . A 820 ILE HB . 36491 1 298 . 1 . 1 27 27 ILE HG12 H 1 1.856 0.01 . . . . . . A 820 ILE HG12 . 36491 1 299 . 1 . 1 27 27 ILE HG13 H 1 1.134 0.00 . . . . . . A 820 ILE HG13 . 36491 1 300 . 1 . 1 27 27 ILE HG21 H 1 1.029 0.00 . 1 . . . . A 820 ILE HG21 . 36491 1 301 . 1 . 1 27 27 ILE HG22 H 1 1.029 0.00 . 1 . . . . A 820 ILE HG22 . 36491 1 302 . 1 . 1 27 27 ILE HG23 H 1 1.029 0.00 . 1 . . . . A 820 ILE HG23 . 36491 1 303 . 1 . 1 27 27 ILE HD11 H 1 0.865 0.01 . 1 . . . . A 820 ILE HD11 . 36491 1 304 . 1 . 1 27 27 ILE HD12 H 1 0.865 0.01 . 1 . . . . A 820 ILE HD12 . 36491 1 305 . 1 . 1 27 27 ILE HD13 H 1 0.865 0.01 . 1 . . . . A 820 ILE HD13 . 36491 1 306 . 1 . 1 27 27 ILE C C 13 176.007 0.03 . 1 . . . . A 820 ILE C . 36491 1 307 . 1 . 1 27 27 ILE CA C 13 65.374 0.07 . 1 . . . . A 820 ILE CA . 36491 1 308 . 1 . 1 27 27 ILE CB C 13 39.736 0.05 . 1 . . . . A 820 ILE CB . 36491 1 309 . 1 . 1 27 27 ILE CG1 C 13 29.603 0.06 . 1 . . . . A 820 ILE CG1 . 36491 1 310 . 1 . 1 27 27 ILE CG2 C 13 17.390 0.09 . 1 . . . . A 820 ILE CG2 . 36491 1 311 . 1 . 1 27 27 ILE CD1 C 13 14.327 0.09 . 1 . . . . A 820 ILE CD1 . 36491 1 312 . 1 . 1 27 27 ILE N N 15 118.579 0.01 . 1 . . . . A 820 ILE N . 36491 1 313 . 1 . 1 28 28 CYS H H 1 8.372 0.01 . 1 . . . . A 821 CYS H . 36491 1 314 . 1 . 1 28 28 CYS HA H 1 4.238 0.01 . 1 . . . . A 821 CYS HA . 36491 1 315 . 1 . 1 28 28 CYS HB2 H 1 2.893 0.01 . . . . . . A 821 CYS HB2 . 36491 1 316 . 1 . 1 28 28 CYS HB3 H 1 2.685 0.01 . . . . . . A 821 CYS HB3 . 36491 1 317 . 1 . 1 28 28 CYS C C 13 176.392 0.01 . 1 . . . . A 821 CYS C . 36491 1 318 . 1 . 1 28 28 CYS CA C 13 64.569 0.08 . 1 . . . . A 821 CYS CA . 36491 1 319 . 1 . 1 28 28 CYS CB C 13 28.073 0.09 . 1 . . . . A 821 CYS CB . 36491 1 320 . 1 . 1 28 28 CYS N N 15 115.453 0.03 . 1 . . . . A 821 CYS N . 36491 1 321 . 1 . 1 29 29 LYS H H 1 8.658 0.01 . 1 . . . . A 822 LYS H . 36491 1 322 . 1 . 1 29 29 LYS HA H 1 4.641 0.01 . 1 . . . . A 822 LYS HA . 36491 1 323 . 1 . 1 29 29 LYS HB2 H 1 1.987 0.01 . . . . . . A 822 LYS HB2 . 36491 1 324 . 1 . 1 29 29 LYS HB3 H 1 1.926 0.01 . . . . . . A 822 LYS HB3 . 36491 1 325 . 1 . 1 29 29 LYS HG2 H 1 1.709 0.01 . . . . . . A 822 LYS HG2 . 36491 1 326 . 1 . 1 29 29 LYS HG3 H 1 1.515 0.01 . . . . . . A 822 LYS HG3 . 36491 1 327 . 1 . 1 29 29 LYS HD2 H 1 1.653 0.01 . . . . . . A 822 LYS HD2 . 36491 1 328 . 1 . 1 29 29 LYS HD3 H 1 1.653 0.01 . . . . . . A 822 LYS HD3 . 36491 1 329 . 1 . 1 29 29 LYS HE2 H 1 2.952 0.01 . . . . . . A 822 LYS HE2 . 36491 1 330 . 1 . 1 29 29 LYS HE3 H 1 2.893 0.00 . . . . . . A 822 LYS HE3 . 36491 1 331 . 1 . 1 29 29 LYS C C 13 173.471 0.01 . 1 . . . . A 822 LYS C . 36491 1 332 . 1 . 1 29 29 LYS CA C 13 58.866 0.05 . 1 . . . . A 822 LYS CA . 36491 1 333 . 1 . 1 29 29 LYS CB C 13 32.505 0.14 . 1 . . . . A 822 LYS CB . 36491 1 334 . 1 . 1 29 29 LYS CG C 13 25.754 0.08 . 1 . . . . A 822 LYS CG . 36491 1 335 . 1 . 1 29 29 LYS CD C 13 30.212 0.12 . 1 . . . . A 822 LYS CD . 36491 1 336 . 1 . 1 29 29 LYS CE C 13 42.514 0.08 . 1 . . . . A 822 LYS CE . 36491 1 337 . 1 . 1 29 29 LYS N N 15 121.513 0.02 . 1 . . . . A 822 LYS N . 36491 1 338 . 1 . 1 30 30 ALA H H 1 6.916 0.01 . 1 . . . . A 823 ALA H . 36491 1 339 . 1 . 1 30 30 ALA HA H 1 3.990 0.00 . 1 . . . . A 823 ALA HA . 36491 1 340 . 1 . 1 30 30 ALA HB1 H 1 0.925 0.01 . 1 . . . . A 823 ALA HB1 . 36491 1 341 . 1 . 1 30 30 ALA HB2 H 1 0.925 0.01 . 1 . . . . A 823 ALA HB2 . 36491 1 342 . 1 . 1 30 30 ALA HB3 H 1 0.925 0.01 . 1 . . . . A 823 ALA HB3 . 36491 1 343 . 1 . 1 30 30 ALA C C 13 175.772 0.02 . 1 . . . . A 823 ALA C . 36491 1 344 . 1 . 1 30 30 ALA CA C 13 54.383 0.06 . 1 . . . . A 823 ALA CA . 36491 1 345 . 1 . 1 30 30 ALA CB C 13 18.632 0.07 . 1 . . . . A 823 ALA CB . 36491 1 346 . 1 . 1 30 30 ALA N N 15 120.159 0.02 . 1 . . . . A 823 ALA N . 36491 1 347 . 1 . 1 31 31 HIS H H 1 6.908 0.00 . 1 . . . . A 824 HIS H . 36491 1 348 . 1 . 1 31 31 HIS HA H 1 4.740 0.02 . 1 . . . . A 824 HIS HA . 36491 1 349 . 1 . 1 31 31 HIS HB2 H 1 3.108 0.01 . . . . . . A 824 HIS HB2 . 36491 1 350 . 1 . 1 31 31 HIS HB3 H 1 2.605 0.01 . . . . . . A 824 HIS HB3 . 36491 1 351 . 1 . 1 31 31 HIS HD2 H 1 7.110 0.01 . 1 . . . . A 824 HIS HD2 . 36491 1 352 . 1 . 1 31 31 HIS C C 13 171.423 0.01 . 1 . . . . A 824 HIS C . 36491 1 353 . 1 . 1 31 31 HIS CA C 13 55.597 0.03 . 1 . . . . A 824 HIS CA . 36491 1 354 . 1 . 1 31 31 HIS CB C 13 32.678 0.11 . 1 . . . . A 824 HIS CB . 36491 1 355 . 1 . 1 31 31 HIS CD2 C 13 118.797 0.04 . 1 . . . . A 824 HIS CD2 . 36491 1 356 . 1 . 1 31 31 HIS N N 15 111.791 0.02 . 1 . . . . A 824 HIS N . 36491 1 357 . 1 . 1 32 32 GLY H H 1 7.295 0.01 . 1 . . . . A 825 GLY H . 36491 1 358 . 1 . 1 32 32 GLY HA2 H 1 4.094 0.01 . . . . . . A 825 GLY HA2 . 36491 1 359 . 1 . 1 32 32 GLY HA3 H 1 3.919 0.01 . . . . . . A 825 GLY HA3 . 36491 1 360 . 1 . 1 32 32 GLY C C 13 168.187 0.01 . 1 . . . . A 825 GLY C . 36491 1 361 . 1 . 1 32 32 GLY CA C 13 45.170 0.12 . 1 . . . . A 825 GLY CA . 36491 1 362 . 1 . 1 32 32 GLY N N 15 103.854 0.01 . 1 . . . . A 825 GLY N . 36491 1 363 . 1 . 1 33 33 THR H H 1 7.855 0.01 . 1 . . . . A 826 THR H . 36491 1 364 . 1 . 1 33 33 THR HA H 1 4.294 0.01 . 1 . . . . A 826 THR HA . 36491 1 365 . 1 . 1 33 33 THR HB H 1 4.148 0.00 . 1 . . . . A 826 THR HB . 36491 1 366 . 1 . 1 33 33 THR C C 13 170.282 0.01 . 1 . . . . A 826 THR C . 36491 1 367 . 1 . 1 33 33 THR CA C 13 63.039 0.09 . 1 . . . . A 826 THR CA . 36491 1 368 . 1 . 1 33 33 THR CB C 13 70.159 0.05 . 1 . . . . A 826 THR CB . 36491 1 369 . 1 . 1 33 33 THR CG2 C 13 20.847 0.00 . 1 . . . . A 826 THR CG2 . 36491 1 370 . 1 . 1 33 33 THR N N 15 115.830 0.02 . 1 . . . . A 826 THR N . 36491 1 371 . 1 . 1 34 34 VAL H H 1 8.721 0.01 . 1 . . . . A 827 VAL H . 36491 1 372 . 1 . 1 34 34 VAL HA H 1 3.552 0.00 . 1 . . . . A 827 VAL HA . 36491 1 373 . 1 . 1 34 34 VAL HB H 1 1.914 0.00 . 1 . . . . A 827 VAL HB . 36491 1 374 . 1 . 1 34 34 VAL HG11 H 1 0.596 0.01 . . . . . . A 827 VAL HG11 . 36491 1 375 . 1 . 1 34 34 VAL HG12 H 1 0.596 0.01 . . . . . . A 827 VAL HG12 . 36491 1 376 . 1 . 1 34 34 VAL HG13 H 1 0.596 0.01 . . . . . . A 827 VAL HG13 . 36491 1 377 . 1 . 1 34 34 VAL HG21 H 1 0.533 0.01 . . . . . . A 827 VAL HG21 . 36491 1 378 . 1 . 1 34 34 VAL HG22 H 1 0.533 0.01 . . . . . . A 827 VAL HG22 . 36491 1 379 . 1 . 1 34 34 VAL HG23 H 1 0.533 0.01 . . . . . . A 827 VAL HG23 . 36491 1 380 . 1 . 1 34 34 VAL C C 13 173.427 0.06 . 1 . . . . A 827 VAL C . 36491 1 381 . 1 . 1 34 34 VAL CA C 13 62.865 0.07 . 1 . . . . A 827 VAL CA . 36491 1 382 . 1 . 1 34 34 VAL CB C 13 32.153 0.09 . 1 . . . . A 827 VAL CB . 36491 1 383 . 1 . 1 34 34 VAL CG1 C 13 22.773 0.02 . . . . . . A 827 VAL CG1 . 36491 1 384 . 1 . 1 34 34 VAL CG2 C 13 22.809 0.01 . . . . . . A 827 VAL CG2 . 36491 1 385 . 1 . 1 34 34 VAL N N 15 129.073 0.01 . 1 . . . . A 827 VAL N . 36491 1 386 . 1 . 1 35 35 LYS H H 1 9.007 0.01 . 1 . . . . A 828 LYS H . 36491 1 387 . 1 . 1 35 35 LYS HA H 1 4.211 0.00 . 1 . . . . A 828 LYS HA . 36491 1 388 . 1 . 1 35 35 LYS HB2 H 1 1.682 0.01 . . . . . . A 828 LYS HB2 . 36491 1 389 . 1 . 1 35 35 LYS HB3 H 1 1.331 0.00 . . . . . . A 828 LYS HB3 . 36491 1 390 . 1 . 1 35 35 LYS HG2 H 1 1.408 0.01 . . . . . . A 828 LYS HG2 . 36491 1 391 . 1 . 1 35 35 LYS HG3 H 1 1.289 0.00 . . . . . . A 828 LYS HG3 . 36491 1 392 . 1 . 1 35 35 LYS HE2 H 1 1.610 0.01 . . . . . . A 828 LYS HE2 . 36491 1 393 . 1 . 1 35 35 LYS HE3 H 1 1.610 0.01 . . . . . . A 828 LYS HE3 . 36491 1 394 . 1 . 1 35 35 LYS C C 13 173.592 0.01 . 1 . . . . A 828 LYS C . 36491 1 395 . 1 . 1 35 35 LYS CA C 13 56.692 0.07 . 1 . . . . A 828 LYS CA . 36491 1 396 . 1 . 1 35 35 LYS CB C 13 32.980 0.14 . 1 . . . . A 828 LYS CB . 36491 1 397 . 1 . 1 35 35 LYS CG C 13 24.272 0.13 . 1 . . . . A 828 LYS CG . 36491 1 398 . 1 . 1 35 35 LYS CD C 13 28.658 0.06 . 1 . . . . A 828 LYS CD . 36491 1 399 . 1 . 1 35 35 LYS CE C 13 42.015 0.15 . 1 . . . . A 828 LYS CE . 36491 1 400 . 1 . 1 35 35 LYS N N 15 129.415 0.02 . 1 . . . . A 828 LYS N . 36491 1 401 . 1 . 1 36 36 ASP H H 1 7.483 0.00 . 1 . . . . A 829 ASP H . 36491 1 402 . 1 . 1 36 36 ASP HA H 1 4.658 0.00 . 1 . . . . A 829 ASP HA . 36491 1 403 . 1 . 1 36 36 ASP HB2 H 1 2.710 0.00 . . . . . . A 829 ASP HB2 . 36491 1 404 . 1 . 1 36 36 ASP HB3 H 1 2.366 0.00 . . . . . . A 829 ASP HB3 . 36491 1 405 . 1 . 1 36 36 ASP C C 13 170.244 0.01 . 1 . . . . A 829 ASP C . 36491 1 406 . 1 . 1 36 36 ASP CA C 13 54.843 0.08 . 1 . . . . A 829 ASP CA . 36491 1 407 . 1 . 1 36 36 ASP CB C 13 44.991 0.06 . 1 . . . . A 829 ASP CB . 36491 1 408 . 1 . 1 36 36 ASP N N 15 115.548 0.01 . 1 . . . . A 829 ASP N . 36491 1 409 . 1 . 1 37 37 LEU H H 1 8.044 0.01 . 1 . . . . A 830 LEU H . 36491 1 410 . 1 . 1 37 37 LEU HA H 1 5.003 0.01 . 1 . . . . A 830 LEU HA . 36491 1 411 . 1 . 1 37 37 LEU HB2 H 1 1.563 0.01 . . . . . . A 830 LEU HB2 . 36491 1 412 . 1 . 1 37 37 LEU HB3 H 1 1.515 0.00 . . . . . . A 830 LEU HB3 . 36491 1 413 . 1 . 1 37 37 LEU HD11 H 1 0.771 0.00 . . . . . . A 830 LEU HD11 . 36491 1 414 . 1 . 1 37 37 LEU HD12 H 1 0.771 0.00 . . . . . . A 830 LEU HD12 . 36491 1 415 . 1 . 1 37 37 LEU HD13 H 1 0.771 0.00 . . . . . . A 830 LEU HD13 . 36491 1 416 . 1 . 1 37 37 LEU HD21 H 1 0.782 0.01 . . . . . . A 830 LEU HD21 . 36491 1 417 . 1 . 1 37 37 LEU HD22 H 1 0.782 0.01 . . . . . . A 830 LEU HD22 . 36491 1 418 . 1 . 1 37 37 LEU HD23 H 1 0.782 0.01 . . . . . . A 830 LEU HD23 . 36491 1 419 . 1 . 1 37 37 LEU C C 13 171.687 0.01 . 1 . . . . A 830 LEU C . 36491 1 420 . 1 . 1 37 37 LEU CA C 13 56.287 0.23 . 1 . . . . A 830 LEU CA . 36491 1 421 . 1 . 1 37 37 LEU CB C 13 45.307 0.08 . 1 . . . . A 830 LEU CB . 36491 1 422 . 1 . 1 37 37 LEU CD1 C 13 27.063 0.22 . . . . . . A 830 LEU CD1 . 36491 1 423 . 1 . 1 37 37 LEU CD2 C 13 25.932 0.24 . . . . . . A 830 LEU CD2 . 36491 1 424 . 1 . 1 37 37 LEU N N 15 126.316 0.01 . 1 . . . . A 830 LEU N . 36491 1 425 . 1 . 1 38 38 ARG H H 1 8.945 0.01 . 1 . . . . A 831 ARG H . 36491 1 426 . 1 . 1 38 38 ARG HA H 1 4.723 0.01 . 1 . . . . A 831 ARG HA . 36491 1 427 . 1 . 1 38 38 ARG HB2 H 1 1.860 0.00 . . . . . . A 831 ARG HB2 . 36491 1 428 . 1 . 1 38 38 ARG HB3 H 1 1.753 0.00 . . . . . . A 831 ARG HB3 . 36491 1 429 . 1 . 1 38 38 ARG HG2 H 1 1.572 0.01 . . . . . . A 831 ARG HG2 . 36491 1 430 . 1 . 1 38 38 ARG HG3 H 1 1.572 0.01 . . . . . . A 831 ARG HG3 . 36491 1 431 . 1 . 1 38 38 ARG HD2 H 1 3.208 0.01 . . . . . . A 831 ARG HD2 . 36491 1 432 . 1 . 1 38 38 ARG HD3 H 1 3.208 0.01 . . . . . . A 831 ARG HD3 . 36491 1 433 . 1 . 1 38 38 ARG C C 13 171.710 0.02 . 1 . . . . A 831 ARG C . 36491 1 434 . 1 . 1 38 38 ARG CA C 13 55.127 0.12 . 1 . . . . A 831 ARG CA . 36491 1 435 . 1 . 1 38 38 ARG CB C 13 33.928 0.13 . 1 . . . . A 831 ARG CB . 36491 1 436 . 1 . 1 38 38 ARG CG C 13 27.582 0.14 . 1 . . . . A 831 ARG CG . 36491 1 437 . 1 . 1 38 38 ARG CD C 13 43.881 0.09 . 1 . . . . A 831 ARG CD . 36491 1 438 . 1 . 1 38 38 ARG N N 15 123.977 0.01 . 1 . . . . A 831 ARG N . 36491 1 439 . 1 . 1 39 39 LEU H H 1 8.857 0.01 . 1 . . . . A 832 LEU H . 36491 1 440 . 1 . 1 39 39 LEU HA H 1 4.706 0.01 . 1 . . . . A 832 LEU HA . 36491 1 441 . 1 . 1 39 39 LEU HB2 H 1 1.608 0.01 . . . . . . A 832 LEU HB2 . 36491 1 442 . 1 . 1 39 39 LEU HB3 H 1 1.565 0.02 . . . . . . A 832 LEU HB3 . 36491 1 443 . 1 . 1 39 39 LEU HG H 1 1.529 0.01 . 1 . . . . A 832 LEU HG . 36491 1 444 . 1 . 1 39 39 LEU HD11 H 1 0.851 0.01 . . . . . . A 832 LEU HD11 . 36491 1 445 . 1 . 1 39 39 LEU HD12 H 1 0.851 0.01 . . . . . . A 832 LEU HD12 . 36491 1 446 . 1 . 1 39 39 LEU HD13 H 1 0.851 0.01 . . . . . . A 832 LEU HD13 . 36491 1 447 . 1 . 1 39 39 LEU HD21 H 1 0.745 0.01 . . . . . . A 832 LEU HD21 . 36491 1 448 . 1 . 1 39 39 LEU HD22 H 1 0.745 0.01 . . . . . . A 832 LEU HD22 . 36491 1 449 . 1 . 1 39 39 LEU HD23 H 1 0.745 0.01 . . . . . . A 832 LEU HD23 . 36491 1 450 . 1 . 1 39 39 LEU C C 13 174.048 0.02 . 1 . . . . A 832 LEU C . 36491 1 451 . 1 . 1 39 39 LEU CA C 13 54.933 0.06 . 1 . . . . A 832 LEU CA . 36491 1 452 . 1 . 1 39 39 LEU CB C 13 42.558 0.06 . 1 . . . . A 832 LEU CB . 36491 1 453 . 1 . 1 39 39 LEU CG C 13 28.611 0.15 . 1 . . . . A 832 LEU CG . 36491 1 454 . 1 . 1 39 39 LEU CD1 C 13 25.809 0.12 . . . . . . A 832 LEU CD1 . 36491 1 455 . 1 . 1 39 39 LEU CD2 C 13 24.656 0.06 . . . . . . A 832 LEU CD2 . 36491 1 456 . 1 . 1 39 39 LEU N N 15 124.861 0.00 . 1 . . . . A 832 LEU N . 36491 1 457 . 1 . 1 40 40 VAL H H 1 8.180 0.01 . 1 . . . . A 833 VAL H . 36491 1 458 . 1 . 1 40 40 VAL HA H 1 4.165 0.00 . 1 . . . . A 833 VAL HA . 36491 1 459 . 1 . 1 40 40 VAL HB H 1 1.924 0.01 . 1 . . . . A 833 VAL HB . 36491 1 460 . 1 . 1 40 40 VAL HG11 H 1 1.048 0.01 . . . . . . A 833 VAL HG11 . 36491 1 461 . 1 . 1 40 40 VAL HG12 H 1 1.048 0.01 . . . . . . A 833 VAL HG12 . 36491 1 462 . 1 . 1 40 40 VAL HG13 H 1 1.048 0.01 . . . . . . A 833 VAL HG13 . 36491 1 463 . 1 . 1 40 40 VAL HG21 H 1 1.027 0.01 . . . . . . A 833 VAL HG21 . 36491 1 464 . 1 . 1 40 40 VAL HG22 H 1 1.027 0.01 . . . . . . A 833 VAL HG22 . 36491 1 465 . 1 . 1 40 40 VAL HG23 H 1 1.027 0.01 . . . . . . A 833 VAL HG23 . 36491 1 466 . 1 . 1 40 40 VAL C C 13 173.141 0.02 . 1 . . . . A 833 VAL C . 36491 1 467 . 1 . 1 40 40 VAL CA C 13 63.559 0.08 . 1 . . . . A 833 VAL CA . 36491 1 468 . 1 . 1 40 40 VAL CB C 13 32.971 0.19 . 1 . . . . A 833 VAL CB . 36491 1 469 . 1 . 1 40 40 VAL CG1 C 13 21.921 0.12 . . . . . . A 833 VAL CG1 . 36491 1 470 . 1 . 1 40 40 VAL CG2 C 13 21.871 0.05 . . . . . . A 833 VAL CG2 . 36491 1 471 . 1 . 1 40 40 VAL N N 15 124.772 0.02 . 1 . . . . A 833 VAL N . 36491 1 472 . 1 . 1 41 41 THR H H 1 8.467 0.01 . 1 . . . . A 834 THR H . 36491 1 473 . 1 . 1 41 41 THR HA H 1 4.977 0.01 . 1 . . . . A 834 THR HA . 36491 1 474 . 1 . 1 41 41 THR HB H 1 3.986 0.01 . 1 . . . . A 834 THR HB . 36491 1 475 . 1 . 1 41 41 THR HG21 H 1 0.981 0.01 . 1 . . . . A 834 THR HG21 . 36491 1 476 . 1 . 1 41 41 THR HG22 H 1 0.981 0.01 . 1 . . . . A 834 THR HG22 . 36491 1 477 . 1 . 1 41 41 THR HG23 H 1 0.981 0.01 . 1 . . . . A 834 THR HG23 . 36491 1 478 . 1 . 1 41 41 THR C C 13 172.101 0.02 . 1 . . . . A 834 THR C . 36491 1 479 . 1 . 1 41 41 THR CA C 13 60.272 0.07 . 1 . . . . A 834 THR CA . 36491 1 480 . 1 . 1 41 41 THR CB C 13 72.326 0.03 . 1 . . . . A 834 THR CB . 36491 1 481 . 1 . 1 41 41 THR N N 15 118.445 0.01 . 1 . . . . A 834 THR N . 36491 1 482 . 1 . 1 42 42 ASN H H 1 8.701 0.01 . 1 . . . . A 835 ASN H . 36491 1 483 . 1 . 1 42 42 ASN HA H 1 4.883 0.01 . 1 . . . . A 835 ASN HA . 36491 1 484 . 1 . 1 42 42 ASN HB2 H 1 3.693 0.01 . . . . . . A 835 ASN HB2 . 36491 1 485 . 1 . 1 42 42 ASN HB3 H 1 2.783 0.00 . . . . . . A 835 ASN HB3 . 36491 1 486 . 1 . 1 42 42 ASN HD21 H 1 7.811 0.00 . . . . . . A 835 ASN HD21 . 36491 1 487 . 1 . 1 42 42 ASN HD22 H 1 6.889 0.01 . . . . . . A 835 ASN HD22 . 36491 1 488 . 1 . 1 42 42 ASN C C 13 174.728 0.00 . 1 . . . . A 835 ASN C . 36491 1 489 . 1 . 1 42 42 ASN CA C 13 51.960 0.08 . 1 . . . . A 835 ASN CA . 36491 1 490 . 1 . 1 42 42 ASN CB C 13 39.361 0.10 . 1 . . . . A 835 ASN CB . 36491 1 491 . 1 . 1 42 42 ASN N N 15 119.111 0.01 . 1 . . . . A 835 ASN N . 36491 1 492 . 1 . 1 42 42 ASN ND2 N 15 111.777 0.04 . 1 . . . . A 835 ASN ND2 . 36491 1 493 . 1 . 1 43 43 ARG HA H 1 4.137 0.01 . 1 . . . . A 836 ARG HA . 36491 1 494 . 1 . 1 43 43 ARG HB2 H 1 1.900 0.01 . . . . . . A 836 ARG HB2 . 36491 1 495 . 1 . 1 43 43 ARG HB3 H 1 1.900 0.01 . . . . . . A 836 ARG HB3 . 36491 1 496 . 1 . 1 43 43 ARG HG2 H 1 1.708 0.01 . . . . . . A 836 ARG HG2 . 36491 1 497 . 1 . 1 43 43 ARG HG3 H 1 1.708 0.01 . . . . . . A 836 ARG HG3 . 36491 1 498 . 1 . 1 43 43 ARG HD2 H 1 3.215 0.00 . . . . . . A 836 ARG HD2 . 36491 1 499 . 1 . 1 43 43 ARG HD3 H 1 3.215 0.00 . . . . . . A 836 ARG HD3 . 36491 1 500 . 1 . 1 43 43 ARG C C 13 174.042 0.02 . 1 . . . . A 836 ARG C . 36491 1 501 . 1 . 1 43 43 ARG CA C 13 59.158 0.07 . 1 . . . . A 836 ARG CA . 36491 1 502 . 1 . 1 43 43 ARG CB C 13 30.275 0.10 . 1 . . . . A 836 ARG CB . 36491 1 503 . 1 . 1 43 43 ARG CG C 13 27.449 0.07 . 1 . . . . A 836 ARG CG . 36491 1 504 . 1 . 1 43 43 ARG CD C 13 43.807 0.07 . 1 . . . . A 836 ARG CD . 36491 1 505 . 1 . 1 44 44 ALA H H 1 7.625 0.01 . 1 . . . . A 837 ALA H . 36491 1 506 . 1 . 1 44 44 ALA HA H 1 4.440 0.00 . 1 . . . . A 837 ALA HA . 36491 1 507 . 1 . 1 44 44 ALA HB1 H 1 1.432 0.01 . 1 . . . . A 837 ALA HB1 . 36491 1 508 . 1 . 1 44 44 ALA HB2 H 1 1.432 0.01 . 1 . . . . A 837 ALA HB2 . 36491 1 509 . 1 . 1 44 44 ALA HB3 H 1 1.432 0.01 . 1 . . . . A 837 ALA HB3 . 36491 1 510 . 1 . 1 44 44 ALA C C 13 174.894 0.01 . 1 . . . . A 837 ALA C . 36491 1 511 . 1 . 1 44 44 ALA CA C 13 52.418 0.06 . 1 . . . . A 837 ALA CA . 36491 1 512 . 1 . 1 44 44 ALA CB C 13 19.296 0.06 . 1 . . . . A 837 ALA CB . 36491 1 513 . 1 . 1 44 44 ALA N N 15 121.160 0.01 . 1 . . . . A 837 ALA N . 36491 1 514 . 1 . 1 45 45 GLY H H 1 8.199 0.01 . 1 . . . . A 838 GLY H . 36491 1 515 . 1 . 1 45 45 GLY HA2 H 1 4.241 0.01 . . . . . . A 838 GLY HA2 . 36491 1 516 . 1 . 1 45 45 GLY HA3 H 1 3.691 0.01 . . . . . . A 838 GLY HA3 . 36491 1 517 . 1 . 1 45 45 GLY C C 13 171.351 0.04 . 1 . . . . A 838 GLY C . 36491 1 518 . 1 . 1 45 45 GLY CA C 13 45.721 0.14 . 1 . . . . A 838 GLY CA . 36491 1 519 . 1 . 1 45 45 GLY N N 15 107.296 0.01 . 1 . . . . A 838 GLY N . 36491 1 520 . 1 . 1 46 46 LYS H H 1 8.031 0.01 . 1 . . . . A 839 LYS H . 36491 1 521 . 1 . 1 46 46 LYS HA H 1 4.686 0.01 . 1 . . . . A 839 LYS HA . 36491 1 522 . 1 . 1 46 46 LYS HB2 H 1 1.836 0.01 . . . . . . A 839 LYS HB2 . 36491 1 523 . 1 . 1 46 46 LYS HB3 H 1 1.669 0.01 . . . . . . A 839 LYS HB3 . 36491 1 524 . 1 . 1 46 46 LYS HG2 H 1 1.359 0.00 . . . . . . A 839 LYS HG2 . 36491 1 525 . 1 . 1 46 46 LYS HG3 H 1 1.473 0.00 . . . . . . A 839 LYS HG3 . 36491 1 526 . 1 . 1 46 46 LYS C C 13 171.593 0.00 . 1 . . . . A 839 LYS C . 36491 1 527 . 1 . 1 46 46 LYS CA C 13 53.743 0.07 . 1 . . . . A 839 LYS CA . 36491 1 528 . 1 . 1 46 46 LYS CB C 13 32.502 0.11 . 1 . . . . A 839 LYS CB . 36491 1 529 . 1 . 1 46 46 LYS CG C 13 25.173 0.07 . 1 . . . . A 839 LYS CG . 36491 1 530 . 1 . 1 46 46 LYS CD C 13 29.064 0.00 . 1 . . . . A 839 LYS CD . 36491 1 531 . 1 . 1 46 46 LYS N N 15 121.706 0.04 . 1 . . . . A 839 LYS N . 36491 1 532 . 1 . 1 47 47 PRO HA H 1 4.399 0.01 . 1 . . . . A 840 PRO HA . 36491 1 533 . 1 . 1 47 47 PRO HB2 H 1 2.481 0.00 . . . . . . A 840 PRO HB2 . 36491 1 534 . 1 . 1 47 47 PRO HB3 H 1 1.855 0.01 . . . . . . A 840 PRO HB3 . 36491 1 535 . 1 . 1 47 47 PRO HG2 H 1 2.106 0.01 . . . . . . A 840 PRO HG2 . 36491 1 536 . 1 . 1 47 47 PRO HG3 H 1 1.981 0.01 . . . . . . A 840 PRO HG3 . 36491 1 537 . 1 . 1 47 47 PRO HD2 H 1 3.973 0.01 . . . . . . A 840 PRO HD2 . 36491 1 538 . 1 . 1 47 47 PRO HD3 H 1 3.583 0.00 . . . . . . A 840 PRO HD3 . 36491 1 539 . 1 . 1 47 47 PRO C C 13 173.846 0.00 . 1 . . . . A 840 PRO C . 36491 1 540 . 1 . 1 47 47 PRO CA C 13 64.290 0.09 . 1 . . . . A 840 PRO CA . 36491 1 541 . 1 . 1 47 47 PRO CB C 13 33.435 0.11 . 1 . . . . A 840 PRO CB . 36491 1 542 . 1 . 1 47 47 PRO CG C 13 28.384 0.08 . 1 . . . . A 840 PRO CG . 36491 1 543 . 1 . 1 47 47 PRO CD C 13 51.462 0.07 . 1 . . . . A 840 PRO CD . 36491 1 544 . 1 . 1 48 48 LYS H H 1 8.249 0.01 . 1 . . . . A 841 LYS H . 36491 1 545 . 1 . 1 48 48 LYS HA H 1 4.439 0.01 . 1 . . . . A 841 LYS HA . 36491 1 546 . 1 . 1 48 48 LYS HB2 H 1 1.919 0.01 . . . . . . A 841 LYS HB2 . 36491 1 547 . 1 . 1 48 48 LYS HB3 H 1 1.508 0.01 . . . . . . A 841 LYS HB3 . 36491 1 548 . 1 . 1 48 48 LYS HG2 H 1 1.432 0.01 . . . . . . A 841 LYS HG2 . 36491 1 549 . 1 . 1 48 48 LYS HG3 H 1 1.432 0.01 . . . . . . A 841 LYS HG3 . 36491 1 550 . 1 . 1 48 48 LYS HD2 H 1 1.595 0.01 . . . . . . A 841 LYS HD2 . 36491 1 551 . 1 . 1 48 48 LYS HD3 H 1 1.595 0.01 . . . . . . A 841 LYS HD3 . 36491 1 552 . 1 . 1 48 48 LYS HE2 H 1 2.930 0.02 . . . . . . A 841 LYS HE2 . 36491 1 553 . 1 . 1 48 48 LYS HE3 H 1 2.930 0.02 . . . . . . A 841 LYS HE3 . 36491 1 554 . 1 . 1 48 48 LYS C C 13 174.217 0.02 . 1 . . . . A 841 LYS C . 36491 1 555 . 1 . 1 48 48 LYS CA C 13 56.343 0.07 . 1 . . . . A 841 LYS CA . 36491 1 556 . 1 . 1 48 48 LYS CB C 13 34.592 0.12 . 1 . . . . A 841 LYS CB . 36491 1 557 . 1 . 1 48 48 LYS CG C 13 25.955 0.09 . 1 . . . . A 841 LYS CG . 36491 1 558 . 1 . 1 48 48 LYS CD C 13 29.830 0.11 . 1 . . . . A 841 LYS CD . 36491 1 559 . 1 . 1 48 48 LYS CE C 13 42.313 0.13 . 1 . . . . A 841 LYS CE . 36491 1 560 . 1 . 1 48 48 LYS N N 15 117.383 0.01 . 1 . . . . A 841 LYS N . 36491 1 561 . 1 . 1 49 49 GLY H H 1 8.656 0.00 . 1 . . . . A 842 GLY H . 36491 1 562 . 1 . 1 49 49 GLY HA2 H 1 4.241 0.00 . . . . . . A 842 GLY HA2 . 36491 1 563 . 1 . 1 49 49 GLY HA3 H 1 3.857 0.01 . . . . . . A 842 GLY HA3 . 36491 1 564 . 1 . 1 49 49 GLY C C 13 169.489 0.02 . 1 . . . . A 842 GLY C . 36491 1 565 . 1 . 1 49 49 GLY CA C 13 46.929 0.08 . 1 . . . . A 842 GLY CA . 36491 1 566 . 1 . 1 49 49 GLY N N 15 110.273 0.01 . 1 . . . . A 842 GLY N . 36491 1 567 . 1 . 1 50 50 LEU H H 1 6.958 0.00 . 1 . . . . A 843 LEU H . 36491 1 568 . 1 . 1 50 50 LEU HA H 1 5.521 0.01 . 1 . . . . A 843 LEU HA . 36491 1 569 . 1 . 1 50 50 LEU HB2 H 1 1.556 0.01 . . . . . . A 843 LEU HB2 . 36491 1 570 . 1 . 1 50 50 LEU HB3 H 1 1.527 0.01 . . . . . . A 843 LEU HB3 . 36491 1 571 . 1 . 1 50 50 LEU HG H 1 1.563 0.00 . 1 . . . . A 843 LEU HG . 36491 1 572 . 1 . 1 50 50 LEU HD11 H 1 1.028 0.00 . . . . . . A 843 LEU HD11 . 36491 1 573 . 1 . 1 50 50 LEU HD12 H 1 1.028 0.00 . . . . . . A 843 LEU HD12 . 36491 1 574 . 1 . 1 50 50 LEU HD13 H 1 1.028 0.00 . . . . . . A 843 LEU HD13 . 36491 1 575 . 1 . 1 50 50 LEU HD21 H 1 0.972 0.01 . . . . . . A 843 LEU HD21 . 36491 1 576 . 1 . 1 50 50 LEU HD22 H 1 0.972 0.01 . . . . . . A 843 LEU HD22 . 36491 1 577 . 1 . 1 50 50 LEU HD23 H 1 0.972 0.01 . . . . . . A 843 LEU HD23 . 36491 1 578 . 1 . 1 50 50 LEU C C 13 173.883 0.02 . 1 . . . . A 843 LEU C . 36491 1 579 . 1 . 1 50 50 LEU CA C 13 52.663 0.07 . 1 . . . . A 843 LEU CA . 36491 1 580 . 1 . 1 50 50 LEU CB C 13 45.840 0.21 . 1 . . . . A 843 LEU CB . 36491 1 581 . 1 . 1 50 50 LEU CG C 13 27.557 0.09 . 1 . . . . A 843 LEU CG . 36491 1 582 . 1 . 1 50 50 LEU CD1 C 13 24.450 0.30 . . . . . . A 843 LEU CD1 . 36491 1 583 . 1 . 1 50 50 LEU N N 15 117.028 0.01 . 1 . . . . A 843 LEU N . 36491 1 584 . 1 . 1 51 51 ALA H H 1 8.982 0.01 . 1 . . . . A 844 ALA H . 36491 1 585 . 1 . 1 51 51 ALA HA H 1 5.165 0.01 . 1 . . . . A 844 ALA HA . 36491 1 586 . 1 . 1 51 51 ALA HB1 H 1 1.088 0.01 . 1 . . . . A 844 ALA HB1 . 36491 1 587 . 1 . 1 51 51 ALA HB2 H 1 1.088 0.01 . 1 . . . . A 844 ALA HB2 . 36491 1 588 . 1 . 1 51 51 ALA HB3 H 1 1.088 0.01 . 1 . . . . A 844 ALA HB3 . 36491 1 589 . 1 . 1 51 51 ALA C C 13 171.514 0.01 . 1 . . . . A 844 ALA C . 36491 1 590 . 1 . 1 51 51 ALA CA C 13 51.916 0.07 . 1 . . . . A 844 ALA CA . 36491 1 591 . 1 . 1 51 51 ALA CB C 13 24.922 0.07 . 1 . . . . A 844 ALA CB . 36491 1 592 . 1 . 1 51 51 ALA N N 15 122.331 0.02 . 1 . . . . A 844 ALA N . 36491 1 593 . 1 . 1 52 52 TYR H H 1 8.684 0.01 . 1 . . . . A 845 TYR H . 36491 1 594 . 1 . 1 52 52 TYR HA H 1 5.691 0.01 . 1 . . . . A 845 TYR HA . 36491 1 595 . 1 . 1 52 52 TYR HB2 H 1 2.935 0.01 . . . . . . A 845 TYR HB2 . 36491 1 596 . 1 . 1 52 52 TYR HB3 H 1 2.670 0.01 . . . . . . A 845 TYR HB3 . 36491 1 597 . 1 . 1 52 52 TYR HD1 H 1 6.985 0.01 . . . . . . A 845 TYR HD1 . 36491 1 598 . 1 . 1 52 52 TYR HD2 H 1 6.985 0.01 . . . . . . A 845 TYR HD2 . 36491 1 599 . 1 . 1 52 52 TYR HE1 H 1 6.699 0.00 . . . . . . A 845 TYR HE1 . 36491 1 600 . 1 . 1 52 52 TYR HE2 H 1 6.699 0.00 . . . . . . A 845 TYR HE2 . 36491 1 601 . 1 . 1 52 52 TYR C C 13 172.716 0.01 . 1 . . . . A 845 TYR C . 36491 1 602 . 1 . 1 52 52 TYR CA C 13 57.279 0.05 . 1 . . . . A 845 TYR CA . 36491 1 603 . 1 . 1 52 52 TYR CB C 13 42.860 0.08 . 1 . . . . A 845 TYR CB . 36491 1 604 . 1 . 1 52 52 TYR CD1 C 13 132.910 0.02 . . . . . . A 845 TYR CD1 . 36491 1 605 . 1 . 1 52 52 TYR CE1 C 13 118.139 0.05 . . . . . . A 845 TYR CE1 . 36491 1 606 . 1 . 1 52 52 TYR N N 15 116.540 0.01 . 1 . . . . A 845 TYR N . 36491 1 607 . 1 . 1 53 53 VAL H H 1 8.736 0.01 . 1 . . . . A 846 VAL H . 36491 1 608 . 1 . 1 53 53 VAL HA H 1 4.708 0.01 . 1 . . . . A 846 VAL HA . 36491 1 609 . 1 . 1 53 53 VAL HB H 1 1.853 0.01 . 1 . . . . A 846 VAL HB . 36491 1 610 . 1 . 1 53 53 VAL HG11 H 1 0.816 0.01 . . . . . . A 846 VAL HG11 . 36491 1 611 . 1 . 1 53 53 VAL HG12 H 1 0.816 0.01 . . . . . . A 846 VAL HG12 . 36491 1 612 . 1 . 1 53 53 VAL HG13 H 1 0.816 0.01 . . . . . . A 846 VAL HG13 . 36491 1 613 . 1 . 1 53 53 VAL HG21 H 1 0.741 0.01 . . . . . . A 846 VAL HG21 . 36491 1 614 . 1 . 1 53 53 VAL HG22 H 1 0.741 0.01 . . . . . . A 846 VAL HG22 . 36491 1 615 . 1 . 1 53 53 VAL HG23 H 1 0.741 0.01 . . . . . . A 846 VAL HG23 . 36491 1 616 . 1 . 1 53 53 VAL C C 13 170.114 0.00 . 1 . . . . A 846 VAL C . 36491 1 617 . 1 . 1 53 53 VAL CA C 13 60.974 0.10 . 1 . . . . A 846 VAL CA . 36491 1 618 . 1 . 1 53 53 VAL CB C 13 36.352 0.08 . 1 . . . . A 846 VAL CB . 36491 1 619 . 1 . 1 53 53 VAL CG1 C 13 21.898 0.08 . . . . . . A 846 VAL CG1 . 36491 1 620 . 1 . 1 53 53 VAL CG2 C 13 21.996 0.09 . . . . . . A 846 VAL CG2 . 36491 1 621 . 1 . 1 53 53 VAL N N 15 121.504 0.04 . 1 . . . . A 846 VAL N . 36491 1 622 . 1 . 1 54 54 GLU H H 1 8.893 0.01 . 1 . . . . A 847 GLU H . 36491 1 623 . 1 . 1 54 54 GLU HA H 1 5.012 0.00 . 1 . . . . A 847 GLU HA . 36491 1 624 . 1 . 1 54 54 GLU HB2 H 1 1.948 0.03 . . . . . . A 847 GLU HB2 . 36491 1 625 . 1 . 1 54 54 GLU HB3 H 1 1.812 0.04 . . . . . . A 847 GLU HB3 . 36491 1 626 . 1 . 1 54 54 GLU HG2 H 1 2.183 0.01 . . . . . . A 847 GLU HG2 . 36491 1 627 . 1 . 1 54 54 GLU HG3 H 1 2.183 0.01 . . . . . . A 847 GLU HG3 . 36491 1 628 . 1 . 1 54 54 GLU C C 13 172.831 0.01 . 1 . . . . A 847 GLU C . 36491 1 629 . 1 . 1 54 54 GLU CA C 13 55.374 0.07 . 1 . . . . A 847 GLU CA . 36491 1 630 . 1 . 1 54 54 GLU CB C 13 33.286 0.10 . 1 . . . . A 847 GLU CB . 36491 1 631 . 1 . 1 54 54 GLU CG C 13 37.014 0.14 . 1 . . . . A 847 GLU CG . 36491 1 632 . 1 . 1 54 54 GLU N N 15 127.513 0.02 . 1 . . . . A 847 GLU N . 36491 1 633 . 1 . 1 55 55 TYR H H 1 8.802 0.01 . 1 . . . . A 848 TYR H . 36491 1 634 . 1 . 1 55 55 TYR HA H 1 3.760 0.01 . 1 . . . . A 848 TYR HA . 36491 1 635 . 1 . 1 55 55 TYR HB2 H 1 2.808 0.01 . . . . . . A 848 TYR HB2 . 36491 1 636 . 1 . 1 55 55 TYR HB3 H 1 2.808 0.01 . . . . . . A 848 TYR HB3 . 36491 1 637 . 1 . 1 55 55 TYR HD1 H 1 6.895 0.01 . . . . . . A 848 TYR HD1 . 36491 1 638 . 1 . 1 55 55 TYR HD2 H 1 6.895 0.01 . . . . . . A 848 TYR HD2 . 36491 1 639 . 1 . 1 55 55 TYR HE1 H 1 6.419 0.00 . . . . . . A 848 TYR HE1 . 36491 1 640 . 1 . 1 55 55 TYR HE2 H 1 6.419 0.00 . . . . . . A 848 TYR HE2 . 36491 1 641 . 1 . 1 55 55 TYR C C 13 173.592 0.00 . 1 . . . . A 848 TYR C . 36491 1 642 . 1 . 1 55 55 TYR CA C 13 59.116 0.03 . 1 . . . . A 848 TYR CA . 36491 1 643 . 1 . 1 55 55 TYR CB C 13 42.468 0.06 . 1 . . . . A 848 TYR CB . 36491 1 644 . 1 . 1 55 55 TYR CD1 C 13 131.972 0.04 . . . . . . A 848 TYR CD1 . 36491 1 645 . 1 . 1 55 55 TYR CE1 C 13 117.530 0.04 . . . . . . A 848 TYR CE1 . 36491 1 646 . 1 . 1 55 55 TYR N N 15 125.296 0.05 . 1 . . . . A 848 TYR N . 36491 1 647 . 1 . 1 56 56 GLU H H 1 8.094 0.01 . 1 . . . . A 849 GLU H . 36491 1 648 . 1 . 1 56 56 GLU HA H 1 4.041 0.01 . 1 . . . . A 849 GLU HA . 36491 1 649 . 1 . 1 56 56 GLU HB2 H 1 2.241 0.01 . . . . . . A 849 GLU HB2 . 36491 1 650 . 1 . 1 56 56 GLU HB3 H 1 2.139 0.01 . . . . . . A 849 GLU HB3 . 36491 1 651 . 1 . 1 56 56 GLU HG2 H 1 2.335 0.01 . . . . . . A 849 GLU HG2 . 36491 1 652 . 1 . 1 56 56 GLU HG3 H 1 2.335 0.01 . . . . . . A 849 GLU HG3 . 36491 1 653 . 1 . 1 56 56 GLU C C 13 173.037 0.02 . 1 . . . . A 849 GLU C . 36491 1 654 . 1 . 1 56 56 GLU CA C 13 59.527 0.15 . 1 . . . . A 849 GLU CA . 36491 1 655 . 1 . 1 56 56 GLU CB C 13 31.637 0.09 . 1 . . . . A 849 GLU CB . 36491 1 656 . 1 . 1 56 56 GLU CG C 13 37.235 0.08 . 1 . . . . A 849 GLU CG . 36491 1 657 . 1 . 1 56 56 GLU N N 15 118.017 0.01 . 1 . . . . A 849 GLU N . 36491 1 658 . 1 . 1 57 57 ASN H H 1 7.343 0.01 . 1 . . . . A 850 ASN H . 36491 1 659 . 1 . 1 57 57 ASN HA H 1 4.397 0.00 . 1 . . . . A 850 ASN HA . 36491 1 660 . 1 . 1 57 57 ASN HB2 H 1 3.105 0.01 . . . . . . A 850 ASN HB2 . 36491 1 661 . 1 . 1 57 57 ASN HB3 H 1 2.865 0.01 . . . . . . A 850 ASN HB3 . 36491 1 662 . 1 . 1 57 57 ASN HD21 H 1 7.659 0.00 . . . . . . A 850 ASN HD21 . 36491 1 663 . 1 . 1 57 57 ASN HD22 H 1 6.899 0.00 . . . . . . A 850 ASN HD22 . 36491 1 664 . 1 . 1 57 57 ASN C C 13 171.764 0.02 . 1 . . . . A 850 ASN C . 36491 1 665 . 1 . 1 57 57 ASN CA C 13 52.181 0.07 . 1 . . . . A 850 ASN CA . 36491 1 666 . 1 . 1 57 57 ASN CB C 13 41.243 0.14 . 1 . . . . A 850 ASN CB . 36491 1 667 . 1 . 1 57 57 ASN N N 15 108.128 0.02 . 1 . . . . A 850 ASN N . 36491 1 668 . 1 . 1 57 57 ASN ND2 N 15 113.680 0.04 . 1 . . . . A 850 ASN ND2 . 36491 1 669 . 1 . 1 58 58 GLU H H 1 8.821 0.01 . 1 . . . . A 851 GLU H . 36491 1 670 . 1 . 1 58 58 GLU HA H 1 4.131 0.00 . 1 . . . . A 851 GLU HA . 36491 1 671 . 1 . 1 58 58 GLU HB2 H 1 2.132 0.01 . . . . . . A 851 GLU HB2 . 36491 1 672 . 1 . 1 58 58 GLU HB3 H 1 2.027 0.01 . . . . . . A 851 GLU HB3 . 36491 1 673 . 1 . 1 58 58 GLU HG2 H 1 2.472 0.01 . . . . . . A 851 GLU HG2 . 36491 1 674 . 1 . 1 58 58 GLU HG3 H 1 2.266 0.01 . . . . . . A 851 GLU HG3 . 36491 1 675 . 1 . 1 58 58 GLU C C 13 175.286 0.02 . 1 . . . . A 851 GLU C . 36491 1 676 . 1 . 1 58 58 GLU CA C 13 59.214 0.19 . 1 . . . . A 851 GLU CA . 36491 1 677 . 1 . 1 58 58 GLU CB C 13 30.455 0.15 . 1 . . . . A 851 GLU CB . 36491 1 678 . 1 . 1 58 58 GLU CG C 13 36.727 0.11 . 1 . . . . A 851 GLU CG . 36491 1 679 . 1 . 1 58 58 GLU N N 15 118.392 0.01 . 1 . . . . A 851 GLU N . 36491 1 680 . 1 . 1 59 59 SER H H 1 8.329 0.01 . 1 . . . . A 852 SER H . 36491 1 681 . 1 . 1 59 59 SER HA H 1 4.215 0.01 . 1 . . . . A 852 SER HA . 36491 1 682 . 1 . 1 59 59 SER HB2 H 1 3.932 0.01 . . . . . . A 852 SER HB2 . 36491 1 683 . 1 . 1 59 59 SER HB3 H 1 3.932 0.01 . . . . . . A 852 SER HB3 . 36491 1 684 . 1 . 1 59 59 SER C C 13 174.712 0.00 . 1 . . . . A 852 SER C . 36491 1 685 . 1 . 1 59 59 SER CA C 13 62.023 0.11 . 1 . . . . A 852 SER CA . 36491 1 686 . 1 . 1 59 59 SER CB C 13 62.892 0.14 . 1 . . . . A 852 SER CB . 36491 1 687 . 1 . 1 59 59 SER N N 15 118.504 0.01 . 1 . . . . A 852 SER N . 36491 1 688 . 1 . 1 60 60 GLN H H 1 8.102 0.01 . 1 . . . . A 853 GLN H . 36491 1 689 . 1 . 1 60 60 GLN HA H 1 3.911 0.01 . 1 . . . . A 853 GLN HA . 36491 1 690 . 1 . 1 60 60 GLN HB2 H 1 2.053 0.01 . . . . . . A 853 GLN HB2 . 36491 1 691 . 1 . 1 60 60 GLN HB3 H 1 1.771 0.00 . . . . . . A 853 GLN HB3 . 36491 1 692 . 1 . 1 60 60 GLN HG2 H 1 2.855 0.01 . . . . . . A 853 GLN HG2 . 36491 1 693 . 1 . 1 60 60 GLN HG3 H 1 2.732 0.01 . . . . . . A 853 GLN HG3 . 36491 1 694 . 1 . 1 60 60 GLN HE21 H 1 7.435 0.00 . . . . . . A 853 GLN HE21 . 36491 1 695 . 1 . 1 60 60 GLN HE22 H 1 7.275 0.01 . . . . . . A 853 GLN HE22 . 36491 1 696 . 1 . 1 60 60 GLN C C 13 174.199 0.02 . 1 . . . . A 853 GLN C . 36491 1 697 . 1 . 1 60 60 GLN CA C 13 58.719 0.08 . 1 . . . . A 853 GLN CA . 36491 1 698 . 1 . 1 60 60 GLN CB C 13 28.612 0.09 . 1 . . . . A 853 GLN CB . 36491 1 699 . 1 . 1 60 60 GLN CG C 13 34.528 0.06 . 1 . . . . A 853 GLN CG . 36491 1 700 . 1 . 1 60 60 GLN N N 15 121.895 0.01 . 1 . . . . A 853 GLN N . 36491 1 701 . 1 . 1 60 60 GLN NE2 N 15 109.604 0.06 . 1 . . . . A 853 GLN NE2 . 36491 1 702 . 1 . 1 61 61 ALA H H 1 7.033 0.01 . 1 . . . . A 854 ALA H . 36491 1 703 . 1 . 1 61 61 ALA HA H 1 3.619 0.00 . 1 . . . . A 854 ALA HA . 36491 1 704 . 1 . 1 61 61 ALA HB1 H 1 1.500 0.01 . 1 . . . . A 854 ALA HB1 . 36491 1 705 . 1 . 1 61 61 ALA HB2 H 1 1.500 0.01 . 1 . . . . A 854 ALA HB2 . 36491 1 706 . 1 . 1 61 61 ALA HB3 H 1 1.500 0.01 . 1 . . . . A 854 ALA HB3 . 36491 1 707 . 1 . 1 61 61 ALA C C 13 175.861 0.01 . 1 . . . . A 854 ALA C . 36491 1 708 . 1 . 1 61 61 ALA CA C 13 55.725 0.06 . 1 . . . . A 854 ALA CA . 36491 1 709 . 1 . 1 61 61 ALA CB C 13 18.551 0.08 . 1 . . . . A 854 ALA CB . 36491 1 710 . 1 . 1 61 61 ALA N N 15 118.560 0.01 . 1 . . . . A 854 ALA N . 36491 1 711 . 1 . 1 62 62 SER H H 1 8.393 0.00 . 1 . . . . A 855 SER H . 36491 1 712 . 1 . 1 62 62 SER HA H 1 4.054 0.01 . 1 . . . . A 855 SER HA . 36491 1 713 . 1 . 1 62 62 SER HB2 H 1 3.946 0.00 . . . . . . A 855 SER HB2 . 36491 1 714 . 1 . 1 62 62 SER HB3 H 1 3.946 0.00 . . . . . . A 855 SER HB3 . 36491 1 715 . 1 . 1 62 62 SER C C 13 174.487 0.02 . 1 . . . . A 855 SER C . 36491 1 716 . 1 . 1 62 62 SER CA C 13 62.337 0.11 . 1 . . . . A 855 SER CA . 36491 1 717 . 1 . 1 62 62 SER CB C 13 63.303 0.04 . 1 . . . . A 855 SER CB . 36491 1 718 . 1 . 1 62 62 SER N N 15 111.672 0.01 . 1 . . . . A 855 SER N . 36491 1 719 . 1 . 1 63 63 GLN H H 1 7.690 0.01 . 1 . . . . A 856 GLN H . 36491 1 720 . 1 . 1 63 63 GLN HA H 1 4.016 0.01 . 1 . . . . A 856 GLN HA . 36491 1 721 . 1 . 1 63 63 GLN HB2 H 1 2.241 0.00 . . . . . . A 856 GLN HB2 . 36491 1 722 . 1 . 1 63 63 GLN HB3 H 1 2.152 0.01 . . . . . . A 856 GLN HB3 . 36491 1 723 . 1 . 1 63 63 GLN HG2 H 1 2.538 0.01 . . . . . . A 856 GLN HG2 . 36491 1 724 . 1 . 1 63 63 GLN HG3 H 1 2.393 0.00 . . . . . . A 856 GLN HG3 . 36491 1 725 . 1 . 1 63 63 GLN HE21 H 1 7.918 0.01 . . . . . . A 856 GLN HE21 . 36491 1 726 . 1 . 1 63 63 GLN HE22 H 1 6.855 0.00 . . . . . . A 856 GLN HE22 . 36491 1 727 . 1 . 1 63 63 GLN C C 13 174.510 0.01 . 1 . . . . A 856 GLN C . 36491 1 728 . 1 . 1 63 63 GLN CA C 13 59.163 0.06 . 1 . . . . A 856 GLN CA . 36491 1 729 . 1 . 1 63 63 GLN CB C 13 28.690 0.08 . 1 . . . . A 856 GLN CB . 36491 1 730 . 1 . 1 63 63 GLN CG C 13 34.248 0.09 . 1 . . . . A 856 GLN CG . 36491 1 731 . 1 . 1 63 63 GLN N N 15 122.360 0.01 . 1 . . . . A 856 GLN N . 36491 1 732 . 1 . 1 63 63 GLN NE2 N 15 112.544 0.02 . 1 . . . . A 856 GLN NE2 . 36491 1 733 . 1 . 1 64 64 ALA H H 1 7.959 0.01 . 1 . . . . A 857 ALA H . 36491 1 734 . 1 . 1 64 64 ALA HA H 1 3.119 0.01 . 1 . . . . A 857 ALA HA . 36491 1 735 . 1 . 1 64 64 ALA HB1 H 1 1.327 0.01 . 1 . . . . A 857 ALA HB1 . 36491 1 736 . 1 . 1 64 64 ALA HB2 H 1 1.327 0.01 . 1 . . . . A 857 ALA HB2 . 36491 1 737 . 1 . 1 64 64 ALA HB3 H 1 1.327 0.01 . 1 . . . . A 857 ALA HB3 . 36491 1 738 . 1 . 1 64 64 ALA C C 13 176.890 0.02 . 1 . . . . A 857 ALA C . 36491 1 739 . 1 . 1 64 64 ALA CA C 13 55.886 0.05 . 1 . . . . A 857 ALA CA . 36491 1 740 . 1 . 1 64 64 ALA CB C 13 19.710 0.07 . 1 . . . . A 857 ALA CB . 36491 1 741 . 1 . 1 64 64 ALA N N 15 121.746 0.02 . 1 . . . . A 857 ALA N . 36491 1 742 . 1 . 1 65 65 VAL H H 1 8.045 0.01 . 1 . . . . A 858 VAL H . 36491 1 743 . 1 . 1 65 65 VAL HA H 1 3.306 0.00 . 1 . . . . A 858 VAL HA . 36491 1 744 . 1 . 1 65 65 VAL HB H 1 2.075 0.01 . 1 . . . . A 858 VAL HB . 36491 1 745 . 1 . 1 65 65 VAL HG11 H 1 0.982 0.01 . . . . . . A 858 VAL HG11 . 36491 1 746 . 1 . 1 65 65 VAL HG12 H 1 0.982 0.01 . . . . . . A 858 VAL HG12 . 36491 1 747 . 1 . 1 65 65 VAL HG13 H 1 0.982 0.01 . . . . . . A 858 VAL HG13 . 36491 1 748 . 1 . 1 65 65 VAL HG21 H 1 0.982 0.01 . . . . . . A 858 VAL HG21 . 36491 1 749 . 1 . 1 65 65 VAL HG22 H 1 0.982 0.01 . . . . . . A 858 VAL HG22 . 36491 1 750 . 1 . 1 65 65 VAL HG23 H 1 0.982 0.01 . . . . . . A 858 VAL HG23 . 36491 1 751 . 1 . 1 65 65 VAL C C 13 174.826 0.01 . 1 . . . . A 858 VAL C . 36491 1 752 . 1 . 1 65 65 VAL CA C 13 67.675 0.06 . 1 . . . . A 858 VAL CA . 36491 1 753 . 1 . 1 65 65 VAL CB C 13 32.154 0.08 . 1 . . . . A 858 VAL CB . 36491 1 754 . 1 . 1 65 65 VAL CG1 C 13 24.440 0.12 . . . . . . A 858 VAL CG1 . 36491 1 755 . 1 . 1 65 65 VAL CG2 C 13 21.944 0.12 . . . . . . A 858 VAL CG2 . 36491 1 756 . 1 . 1 65 65 VAL N N 15 117.097 0.01 . 1 . . . . A 858 VAL N . 36491 1 757 . 1 . 1 66 66 MET H H 1 7.256 0.01 . 1 . . . . A 859 MET H . 36491 1 758 . 1 . 1 66 66 MET HA H 1 4.122 0.01 . 1 . . . . A 859 MET HA . 36491 1 759 . 1 . 1 66 66 MET HB2 H 1 2.187 0.01 . . . . . . A 859 MET HB2 . 36491 1 760 . 1 . 1 66 66 MET HB3 H 1 2.108 0.01 . . . . . . A 859 MET HB3 . 36491 1 761 . 1 . 1 66 66 MET HG2 H 1 2.678 0.01 . . . . . . A 859 MET HG2 . 36491 1 762 . 1 . 1 66 66 MET HG3 H 1 2.572 0.01 . . . . . . A 859 MET HG3 . 36491 1 763 . 1 . 1 66 66 MET C C 13 176.022 0.01 . 1 . . . . A 859 MET C . 36491 1 764 . 1 . 1 66 66 MET CA C 13 58.933 0.12 . 1 . . . . A 859 MET CA . 36491 1 765 . 1 . 1 66 66 MET CB C 13 33.062 0.29 . 1 . . . . A 859 MET CB . 36491 1 766 . 1 . 1 66 66 MET N N 15 116.070 0.02 . 1 . . . . A 859 MET N . 36491 1 767 . 1 . 1 67 67 LYS H H 1 7.758 0.01 . 1 . . . . A 860 LYS H . 36491 1 768 . 1 . 1 67 67 LYS HA H 1 4.233 0.01 . 1 . . . . A 860 LYS HA . 36491 1 769 . 1 . 1 67 67 LYS HB2 H 1 1.684 0.00 . . . . . . A 860 LYS HB2 . 36491 1 770 . 1 . 1 67 67 LYS HB3 H 1 1.221 0.00 . . . . . . A 860 LYS HB3 . 36491 1 771 . 1 . 1 67 67 LYS HG2 H 1 1.452 0.01 . . . . . . A 860 LYS HG2 . 36491 1 772 . 1 . 1 67 67 LYS HG3 H 1 1.452 0.01 . . . . . . A 860 LYS HG3 . 36491 1 773 . 1 . 1 67 67 LYS HD2 H 1 1.624 0.01 . . . . . . A 860 LYS HD2 . 36491 1 774 . 1 . 1 67 67 LYS HD3 H 1 1.624 0.01 . . . . . . A 860 LYS HD3 . 36491 1 775 . 1 . 1 67 67 LYS HE2 H 1 2.994 0.00 . . . . . . A 860 LYS HE2 . 36491 1 776 . 1 . 1 67 67 LYS HE3 H 1 2.970 0.02 . . . . . . A 860 LYS HE3 . 36491 1 777 . 1 . 1 67 67 LYS C C 13 175.567 0.02 . 1 . . . . A 860 LYS C . 36491 1 778 . 1 . 1 67 67 LYS CA C 13 57.191 0.14 . 1 . . . . A 860 LYS CA . 36491 1 779 . 1 . 1 67 67 LYS CB C 13 33.786 0.10 . 1 . . . . A 860 LYS CB . 36491 1 780 . 1 . 1 67 67 LYS CG C 13 25.616 0.31 . 1 . . . . A 860 LYS CG . 36491 1 781 . 1 . 1 67 67 LYS CD C 13 28.845 0.18 . 1 . . . . A 860 LYS CD . 36491 1 782 . 1 . 1 67 67 LYS CE C 13 42.700 0.22 . 1 . . . . A 860 LYS CE . 36491 1 783 . 1 . 1 67 67 LYS N N 15 115.209 0.01 . 1 . . . . A 860 LYS N . 36491 1 784 . 1 . 1 68 68 MET H H 1 8.584 0.00 . 1 . . . . A 861 MET H . 36491 1 785 . 1 . 1 68 68 MET HA H 1 4.468 0.00 . 1 . . . . A 861 MET HA . 36491 1 786 . 1 . 1 68 68 MET HB2 H 1 2.073 0.05 . . . . . . A 861 MET HB2 . 36491 1 787 . 1 . 1 68 68 MET HB3 H 1 1.917 0.01 . . . . . . A 861 MET HB3 . 36491 1 788 . 1 . 1 68 68 MET HG2 H 1 2.544 0.01 . . . . . . A 861 MET HG2 . 36491 1 789 . 1 . 1 68 68 MET HG3 H 1 2.406 0.01 . . . . . . A 861 MET HG3 . 36491 1 790 . 1 . 1 68 68 MET C C 13 174.059 0.02 . 1 . . . . A 861 MET C . 36491 1 791 . 1 . 1 68 68 MET CA C 13 57.980 0.08 . 1 . . . . A 861 MET CA . 36491 1 792 . 1 . 1 68 68 MET CB C 13 36.750 0.09 . 1 . . . . A 861 MET CB . 36491 1 793 . 1 . 1 68 68 MET CG C 13 32.590 0.14 . 1 . . . . A 861 MET CG . 36491 1 794 . 1 . 1 68 68 MET N N 15 115.791 0.03 . 1 . . . . A 861 MET N . 36491 1 795 . 1 . 1 69 69 ASP H H 1 7.861 0.01 . 1 . . . . A 862 ASP H . 36491 1 796 . 1 . 1 69 69 ASP HA H 1 4.292 0.01 . 1 . . . . A 862 ASP HA . 36491 1 797 . 1 . 1 69 69 ASP HB2 H 1 3.015 0.01 . . . . . . A 862 ASP HB2 . 36491 1 798 . 1 . 1 69 69 ASP HB3 H 1 2.696 0.01 . . . . . . A 862 ASP HB3 . 36491 1 799 . 1 . 1 69 69 ASP C C 13 175.195 0.02 . 1 . . . . A 862 ASP C . 36491 1 800 . 1 . 1 69 69 ASP CA C 13 58.606 0.08 . 1 . . . . A 862 ASP CA . 36491 1 801 . 1 . 1 69 69 ASP CB C 13 41.607 0.11 . 1 . . . . A 862 ASP CB . 36491 1 802 . 1 . 1 69 69 ASP N N 15 117.469 0.01 . 1 . . . . A 862 ASP N . 36491 1 803 . 1 . 1 70 70 GLY H H 1 8.398 0.00 . 1 . . . . A 863 GLY H . 36491 1 804 . 1 . 1 70 70 GLY HA2 H 1 4.183 0.01 . . . . . . A 863 GLY HA2 . 36491 1 805 . 1 . 1 70 70 GLY HA3 H 1 3.723 0.01 . . . . . . A 863 GLY HA3 . 36491 1 806 . 1 . 1 70 70 GLY C C 13 171.369 0.00 . 1 . . . . A 863 GLY C . 36491 1 807 . 1 . 1 70 70 GLY CA C 13 46.283 0.10 . 1 . . . . A 863 GLY CA . 36491 1 808 . 1 . 1 70 70 GLY N N 15 116.386 0.01 . 1 . . . . A 863 GLY N . 36491 1 809 . 1 . 1 71 71 MET H H 1 8.007 0.00 . 1 . . . . A 864 MET H . 36491 1 810 . 1 . 1 71 71 MET HA H 1 4.447 0.00 . 1 . . . . A 864 MET HA . 36491 1 811 . 1 . 1 71 71 MET HB2 H 1 2.411 0.01 . . . . . . A 864 MET HB2 . 36491 1 812 . 1 . 1 71 71 MET HB3 H 1 1.921 0.01 . . . . . . A 864 MET HB3 . 36491 1 813 . 1 . 1 71 71 MET HG2 H 1 2.985 0.00 . . . . . . A 864 MET HG2 . 36491 1 814 . 1 . 1 71 71 MET HG3 H 1 2.153 0.01 . . . . . . A 864 MET HG3 . 36491 1 815 . 1 . 1 71 71 MET C C 13 170.468 0.02 . 1 . . . . A 864 MET C . 36491 1 816 . 1 . 1 71 71 MET CA C 13 56.414 0.09 . 1 . . . . A 864 MET CA . 36491 1 817 . 1 . 1 71 71 MET CB C 13 33.701 0.11 . 1 . . . . A 864 MET CB . 36491 1 818 . 1 . 1 71 71 MET CG C 13 32.043 0.15 . 1 . . . . A 864 MET CG . 36491 1 819 . 1 . 1 71 71 MET N N 15 120.509 0.01 . 1 . . . . A 864 MET N . 36491 1 820 . 1 . 1 72 72 THR H H 1 8.213 0.00 . 1 . . . . A 865 THR H . 36491 1 821 . 1 . 1 72 72 THR HA H 1 5.089 0.01 . 1 . . . . A 865 THR HA . 36491 1 822 . 1 . 1 72 72 THR HB H 1 3.861 0.00 . 1 . . . . A 865 THR HB . 36491 1 823 . 1 . 1 72 72 THR HG21 H 1 0.977 0.01 . 1 . . . . A 865 THR HG21 . 36491 1 824 . 1 . 1 72 72 THR HG22 H 1 0.977 0.01 . 1 . . . . A 865 THR HG22 . 36491 1 825 . 1 . 1 72 72 THR HG23 H 1 0.977 0.01 . 1 . . . . A 865 THR HG23 . 36491 1 826 . 1 . 1 72 72 THR C C 13 172.321 0.01 . 1 . . . . A 865 THR C . 36491 1 827 . 1 . 1 72 72 THR CA C 13 61.928 0.06 . 1 . . . . A 865 THR CA . 36491 1 828 . 1 . 1 72 72 THR CB C 13 70.451 0.06 . 1 . . . . A 865 THR CB . 36491 1 829 . 1 . 1 72 72 THR CG2 C 13 20.688 0.00 . 1 . . . . A 865 THR CG2 . 36491 1 830 . 1 . 1 72 72 THR N N 15 115.076 0.01 . 1 . . . . A 865 THR N . 36491 1 831 . 1 . 1 73 73 ILE H H 1 8.968 0.01 . 1 . . . . A 866 ILE H . 36491 1 832 . 1 . 1 73 73 ILE HA H 1 4.065 0.01 . 1 . . . . A 866 ILE HA . 36491 1 833 . 1 . 1 73 73 ILE HB H 1 1.439 0.01 . 1 . . . . A 866 ILE HB . 36491 1 834 . 1 . 1 73 73 ILE HG12 H 1 1.425 0.01 . . . . . . A 866 ILE HG12 . 36491 1 835 . 1 . 1 73 73 ILE HG13 H 1 1.035 0.00 . . . . . . A 866 ILE HG13 . 36491 1 836 . 1 . 1 73 73 ILE HG21 H 1 0.771 0.01 . 1 . . . . A 866 ILE HG21 . 36491 1 837 . 1 . 1 73 73 ILE HG22 H 1 0.771 0.01 . 1 . . . . A 866 ILE HG22 . 36491 1 838 . 1 . 1 73 73 ILE HG23 H 1 0.771 0.01 . 1 . . . . A 866 ILE HG23 . 36491 1 839 . 1 . 1 73 73 ILE HD11 H 1 0.764 0.01 . 1 . . . . A 866 ILE HD11 . 36491 1 840 . 1 . 1 73 73 ILE HD12 H 1 0.764 0.01 . 1 . . . . A 866 ILE HD12 . 36491 1 841 . 1 . 1 73 73 ILE HD13 H 1 0.764 0.01 . 1 . . . . A 866 ILE HD13 . 36491 1 842 . 1 . 1 73 73 ILE C C 13 172.055 0.01 . 1 . . . . A 866 ILE C . 36491 1 843 . 1 . 1 73 73 ILE CA C 13 61.888 0.07 . 1 . . . . A 866 ILE CA . 36491 1 844 . 1 . 1 73 73 ILE CB C 13 40.513 0.18 . 1 . . . . A 866 ILE CB . 36491 1 845 . 1 . 1 73 73 ILE CG1 C 13 28.073 0.10 . 1 . . . . A 866 ILE CG1 . 36491 1 846 . 1 . 1 73 73 ILE CG2 C 13 17.226 0.11 . 1 . . . . A 866 ILE CG2 . 36491 1 847 . 1 . 1 73 73 ILE CD1 C 13 14.410 0.13 . 1 . . . . A 866 ILE CD1 . 36491 1 848 . 1 . 1 73 73 ILE N N 15 126.450 0.02 . 1 . . . . A 866 ILE N . 36491 1 849 . 1 . 1 74 74 LYS H H 1 9.151 0.01 . 1 . . . . A 867 LYS H . 36491 1 850 . 1 . 1 74 74 LYS HA H 1 3.706 0.00 . 1 . . . . A 867 LYS HA . 36491 1 851 . 1 . 1 74 74 LYS HB2 H 1 1.933 0.01 . . . . . . A 867 LYS HB2 . 36491 1 852 . 1 . 1 74 74 LYS HB3 H 1 1.861 0.01 . . . . . . A 867 LYS HB3 . 36491 1 853 . 1 . 1 74 74 LYS HG2 H 1 1.385 0.01 . . . . . . A 867 LYS HG2 . 36491 1 854 . 1 . 1 74 74 LYS HG3 H 1 1.385 0.01 . . . . . . A 867 LYS HG3 . 36491 1 855 . 1 . 1 74 74 LYS C C 13 172.825 0.04 . 1 . . . . A 867 LYS C . 36491 1 856 . 1 . 1 74 74 LYS CA C 13 58.711 0.07 . 1 . . . . A 867 LYS CA . 36491 1 857 . 1 . 1 74 74 LYS CB C 13 30.645 0.09 . 1 . . . . A 867 LYS CB . 36491 1 858 . 1 . 1 74 74 LYS CG C 13 26.078 0.07 . 1 . . . . A 867 LYS CG . 36491 1 859 . 1 . 1 74 74 LYS CE C 13 42.910 0.00 . 1 . . . . A 867 LYS CE . 36491 1 860 . 1 . 1 74 74 LYS N N 15 124.944 0.01 . 1 . . . . A 867 LYS N . 36491 1 861 . 1 . 1 75 75 GLU H H 1 8.393 0.01 . 1 . . . . A 868 GLU H . 36491 1 862 . 1 . 1 75 75 GLU HA H 1 4.052 0.00 . 1 . . . . A 868 GLU HA . 36491 1 863 . 1 . 1 75 75 GLU HB2 H 1 2.219 0.01 . . . . . . A 868 GLU HB2 . 36491 1 864 . 1 . 1 75 75 GLU HB3 H 1 2.172 0.00 . . . . . . A 868 GLU HB3 . 36491 1 865 . 1 . 1 75 75 GLU C C 13 172.755 0.01 . 1 . . . . A 868 GLU C . 36491 1 866 . 1 . 1 75 75 GLU CA C 13 58.344 0.14 . 1 . . . . A 868 GLU CA . 36491 1 867 . 1 . 1 75 75 GLU CB C 13 29.121 0.07 . 1 . . . . A 868 GLU CB . 36491 1 868 . 1 . 1 75 75 GLU CG C 13 37.251 0.04 . 1 . . . . A 868 GLU CG . 36491 1 869 . 1 . 1 75 75 GLU N N 15 115.278 0.02 . 1 . . . . A 868 GLU N . 36491 1 870 . 1 . 1 76 76 ASN H H 1 8.204 0.00 . 1 . . . . A 869 ASN H . 36491 1 871 . 1 . 1 76 76 ASN HA H 1 4.895 0.01 . 1 . . . . A 869 ASN HA . 36491 1 872 . 1 . 1 76 76 ASN HB2 H 1 2.922 0.01 . . . . . . A 869 ASN HB2 . 36491 1 873 . 1 . 1 76 76 ASN HB3 H 1 2.648 0.01 . . . . . . A 869 ASN HB3 . 36491 1 874 . 1 . 1 76 76 ASN HD21 H 1 6.964 0.01 . . . . . . A 869 ASN HD21 . 36491 1 875 . 1 . 1 76 76 ASN HD22 H 1 6.729 0.00 . . . . . . A 869 ASN HD22 . 36491 1 876 . 1 . 1 76 76 ASN C C 13 170.479 0.02 . 1 . . . . A 869 ASN C . 36491 1 877 . 1 . 1 76 76 ASN CA C 13 53.073 0.08 . 1 . . . . A 869 ASN CA . 36491 1 878 . 1 . 1 76 76 ASN CB C 13 40.937 0.10 . 1 . . . . A 869 ASN CB . 36491 1 879 . 1 . 1 76 76 ASN N N 15 121.700 0.04 . 1 . . . . A 869 ASN N . 36491 1 880 . 1 . 1 76 76 ASN ND2 N 15 110.268 0.05 . 1 . . . . A 869 ASN ND2 . 36491 1 881 . 1 . 1 77 77 ILE H H 1 8.245 0.01 . 1 . . . . A 870 ILE H . 36491 1 882 . 1 . 1 77 77 ILE HA H 1 4.474 0.01 . 1 . . . . A 870 ILE HA . 36491 1 883 . 1 . 1 77 77 ILE HB H 1 1.630 0.00 . 1 . . . . A 870 ILE HB . 36491 1 884 . 1 . 1 77 77 ILE HG12 H 1 1.500 0.01 . . . . . . A 870 ILE HG12 . 36491 1 885 . 1 . 1 77 77 ILE HG13 H 1 1.021 0.01 . . . . . . A 870 ILE HG13 . 36491 1 886 . 1 . 1 77 77 ILE HG21 H 1 0.765 0.00 . 1 . . . . A 870 ILE HG21 . 36491 1 887 . 1 . 1 77 77 ILE HG22 H 1 0.765 0.00 . 1 . . . . A 870 ILE HG22 . 36491 1 888 . 1 . 1 77 77 ILE HG23 H 1 0.765 0.00 . 1 . . . . A 870 ILE HG23 . 36491 1 889 . 1 . 1 77 77 ILE HD11 H 1 0.795 0.01 . 1 . . . . A 870 ILE HD11 . 36491 1 890 . 1 . 1 77 77 ILE HD12 H 1 0.795 0.01 . 1 . . . . A 870 ILE HD12 . 36491 1 891 . 1 . 1 77 77 ILE HD13 H 1 0.795 0.01 . 1 . . . . A 870 ILE HD13 . 36491 1 892 . 1 . 1 77 77 ILE C C 13 174.265 0.02 . 1 . . . . A 870 ILE C . 36491 1 893 . 1 . 1 77 77 ILE CA C 13 61.346 0.08 . 1 . . . . A 870 ILE CA . 36491 1 894 . 1 . 1 77 77 ILE CB C 13 38.867 0.08 . 1 . . . . A 870 ILE CB . 36491 1 895 . 1 . 1 77 77 ILE CG1 C 13 28.494 0.10 . 1 . . . . A 870 ILE CG1 . 36491 1 896 . 1 . 1 77 77 ILE CG2 C 13 17.958 0.10 . 1 . . . . A 870 ILE CG2 . 36491 1 897 . 1 . 1 77 77 ILE CD1 C 13 13.680 0.15 . 1 . . . . A 870 ILE CD1 . 36491 1 898 . 1 . 1 77 77 ILE N N 15 122.091 0.01 . 1 . . . . A 870 ILE N . 36491 1 899 . 1 . 1 78 78 ILE H H 1 8.412 0.01 . 1 . . . . A 871 ILE H . 36491 1 900 . 1 . 1 78 78 ILE HA H 1 4.846 0.01 . 1 . . . . A 871 ILE HA . 36491 1 901 . 1 . 1 78 78 ILE HB H 1 1.866 0.00 . 1 . . . . A 871 ILE HB . 36491 1 902 . 1 . 1 78 78 ILE HG12 H 1 1.401 0.03 . . . . . . A 871 ILE HG12 . 36491 1 903 . 1 . 1 78 78 ILE HG13 H 1 1.283 0.01 . . . . . . A 871 ILE HG13 . 36491 1 904 . 1 . 1 78 78 ILE HG21 H 1 0.696 0.01 . 1 . . . . A 871 ILE HG21 . 36491 1 905 . 1 . 1 78 78 ILE HG22 H 1 0.696 0.01 . 1 . . . . A 871 ILE HG22 . 36491 1 906 . 1 . 1 78 78 ILE HG23 H 1 0.696 0.01 . 1 . . . . A 871 ILE HG23 . 36491 1 907 . 1 . 1 78 78 ILE HD11 H 1 0.636 0.01 . 1 . . . . A 871 ILE HD11 . 36491 1 908 . 1 . 1 78 78 ILE HD12 H 1 0.636 0.01 . 1 . . . . A 871 ILE HD12 . 36491 1 909 . 1 . 1 78 78 ILE HD13 H 1 0.636 0.01 . 1 . . . . A 871 ILE HD13 . 36491 1 910 . 1 . 1 78 78 ILE C C 13 172.284 0.00 . 1 . . . . A 871 ILE C . 36491 1 911 . 1 . 1 78 78 ILE CA C 13 60.570 0.06 . 1 . . . . A 871 ILE CA . 36491 1 912 . 1 . 1 78 78 ILE CB C 13 40.336 0.08 . 1 . . . . A 871 ILE CB . 36491 1 913 . 1 . 1 78 78 ILE CG1 C 13 26.131 0.08 . 1 . . . . A 871 ILE CG1 . 36491 1 914 . 1 . 1 78 78 ILE CG2 C 13 18.053 0.09 . 1 . . . . A 871 ILE CG2 . 36491 1 915 . 1 . 1 78 78 ILE CD1 C 13 14.867 0.08 . 1 . . . . A 871 ILE CD1 . 36491 1 916 . 1 . 1 78 78 ILE N N 15 122.397 0.03 . 1 . . . . A 871 ILE N . 36491 1 917 . 1 . 1 79 79 LYS H H 1 8.369 0.01 . 1 . . . . A 872 LYS H . 36491 1 918 . 1 . 1 79 79 LYS HA H 1 5.073 0.00 . 1 . . . . A 872 LYS HA . 36491 1 919 . 1 . 1 79 79 LYS HB2 H 1 1.769 0.01 . . . . . . A 872 LYS HB2 . 36491 1 920 . 1 . 1 79 79 LYS HB3 H 1 1.591 0.01 . . . . . . A 872 LYS HB3 . 36491 1 921 . 1 . 1 79 79 LYS C C 13 172.773 0.01 . 1 . . . . A 872 LYS C . 36491 1 922 . 1 . 1 79 79 LYS CA C 13 54.579 0.12 . 1 . . . . A 872 LYS CA . 36491 1 923 . 1 . 1 79 79 LYS CB C 13 34.753 0.09 . 1 . . . . A 872 LYS CB . 36491 1 924 . 1 . 1 79 79 LYS CG C 13 24.851 0.06 . 1 . . . . A 872 LYS CG . 36491 1 925 . 1 . 1 79 79 LYS CD C 13 29.160 0.07 . 1 . . . . A 872 LYS CD . 36491 1 926 . 1 . 1 79 79 LYS CE C 13 42.552 0.00 . 1 . . . . A 872 LYS CE . 36491 1 927 . 1 . 1 79 79 LYS N N 15 122.994 0.01 . 1 . . . . A 872 LYS N . 36491 1 928 . 1 . 1 80 80 VAL H H 1 9.096 0.01 . 1 . . . . A 873 VAL H . 36491 1 929 . 1 . 1 80 80 VAL HA H 1 4.807 0.01 . 1 . . . . A 873 VAL HA . 36491 1 930 . 1 . 1 80 80 VAL HB H 1 1.763 0.01 . 1 . . . . A 873 VAL HB . 36491 1 931 . 1 . 1 80 80 VAL HG11 H 1 0.917 0.01 . . . . . . A 873 VAL HG11 . 36491 1 932 . 1 . 1 80 80 VAL HG12 H 1 0.917 0.01 . . . . . . A 873 VAL HG12 . 36491 1 933 . 1 . 1 80 80 VAL HG13 H 1 0.917 0.01 . . . . . . A 873 VAL HG13 . 36491 1 934 . 1 . 1 80 80 VAL HG21 H 1 0.876 0.01 . . . . . . A 873 VAL HG21 . 36491 1 935 . 1 . 1 80 80 VAL HG22 H 1 0.876 0.01 . . . . . . A 873 VAL HG22 . 36491 1 936 . 1 . 1 80 80 VAL HG23 H 1 0.876 0.01 . . . . . . A 873 VAL HG23 . 36491 1 937 . 1 . 1 80 80 VAL C C 13 170.341 0.01 . 1 . . . . A 873 VAL C . 36491 1 938 . 1 . 1 80 80 VAL CA C 13 61.644 0.10 . 1 . . . . A 873 VAL CA . 36491 1 939 . 1 . 1 80 80 VAL CB C 13 35.212 0.11 . 1 . . . . A 873 VAL CB . 36491 1 940 . 1 . 1 80 80 VAL CG1 C 13 24.561 0.14 . . . . . . A 873 VAL CG1 . 36491 1 941 . 1 . 1 80 80 VAL CG2 C 13 22.864 0.24 . . . . . . A 873 VAL CG2 . 36491 1 942 . 1 . 1 80 80 VAL N N 15 124.676 0.01 . 1 . . . . A 873 VAL N . 36491 1 943 . 1 . 1 81 81 ALA H H 1 8.551 0.01 . 1 . . . . A 874 ALA H . 36491 1 944 . 1 . 1 81 81 ALA HA H 1 4.744 0.01 . 1 . . . . A 874 ALA HA . 36491 1 945 . 1 . 1 81 81 ALA HB1 H 1 1.454 0.03 . 1 . . . . A 874 ALA HB1 . 36491 1 946 . 1 . 1 81 81 ALA HB2 H 1 1.454 0.03 . 1 . . . . A 874 ALA HB2 . 36491 1 947 . 1 . 1 81 81 ALA HB3 H 1 1.454 0.03 . 1 . . . . A 874 ALA HB3 . 36491 1 948 . 1 . 1 81 81 ALA C C 13 173.169 0.02 . 1 . . . . A 874 ALA C . 36491 1 949 . 1 . 1 81 81 ALA CA C 13 50.918 0.11 . 1 . . . . A 874 ALA CA . 36491 1 950 . 1 . 1 81 81 ALA CB C 13 23.835 0.06 . 1 . . . . A 874 ALA CB . 36491 1 951 . 1 . 1 81 81 ALA N N 15 127.189 0.01 . 1 . . . . A 874 ALA N . 36491 1 952 . 1 . 1 82 82 ILE H H 1 8.560 0.00 . 1 . . . . A 875 ILE H . 36491 1 953 . 1 . 1 82 82 ILE HA H 1 4.478 0.01 . 1 . . . . A 875 ILE HA . 36491 1 954 . 1 . 1 82 82 ILE HB H 1 1.865 0.00 . 1 . . . . A 875 ILE HB . 36491 1 955 . 1 . 1 82 82 ILE HG12 H 1 1.580 0.01 . . . . . . A 875 ILE HG12 . 36491 1 956 . 1 . 1 82 82 ILE HG13 H 1 1.346 0.01 . . . . . . A 875 ILE HG13 . 36491 1 957 . 1 . 1 82 82 ILE HG21 H 1 1.006 0.01 . 1 . . . . A 875 ILE HG21 . 36491 1 958 . 1 . 1 82 82 ILE HG22 H 1 1.006 0.01 . 1 . . . . A 875 ILE HG22 . 36491 1 959 . 1 . 1 82 82 ILE HG23 H 1 1.006 0.01 . 1 . . . . A 875 ILE HG23 . 36491 1 960 . 1 . 1 82 82 ILE HD11 H 1 0.825 0.01 . 1 . . . . A 875 ILE HD11 . 36491 1 961 . 1 . 1 82 82 ILE HD12 H 1 0.825 0.01 . 1 . . . . A 875 ILE HD12 . 36491 1 962 . 1 . 1 82 82 ILE HD13 H 1 0.825 0.01 . 1 . . . . A 875 ILE HD13 . 36491 1 963 . 1 . 1 82 82 ILE C C 13 173.685 0.01 . 1 . . . . A 875 ILE C . 36491 1 964 . 1 . 1 82 82 ILE CA C 13 61.361 0.05 . 1 . . . . A 875 ILE CA . 36491 1 965 . 1 . 1 82 82 ILE CB C 13 38.482 0.08 . 1 . . . . A 875 ILE CB . 36491 1 966 . 1 . 1 82 82 ILE CG1 C 13 28.715 0.09 . 1 . . . . A 875 ILE CG1 . 36491 1 967 . 1 . 1 82 82 ILE CG2 C 13 18.467 0.08 . 1 . . . . A 875 ILE CG2 . 36491 1 968 . 1 . 1 82 82 ILE CD1 C 13 12.778 0.08 . 1 . . . . A 875 ILE CD1 . 36491 1 969 . 1 . 1 82 82 ILE N N 15 121.091 0.01 . 1 . . . . A 875 ILE N . 36491 1 970 . 1 . 1 83 83 SER H H 1 8.724 0.01 . 1 . . . . A 876 SER H . 36491 1 971 . 1 . 1 83 83 SER HA H 1 4.510 0.01 . 1 . . . . A 876 SER HA . 36491 1 972 . 1 . 1 83 83 SER HB2 H 1 3.741 0.01 . . . . . . A 876 SER HB2 . 36491 1 973 . 1 . 1 83 83 SER HB3 H 1 3.671 0.01 . . . . . . A 876 SER HB3 . 36491 1 974 . 1 . 1 83 83 SER C C 13 170.622 0.02 . 1 . . . . A 876 SER C . 36491 1 975 . 1 . 1 83 83 SER CA C 13 58.446 0.12 . 1 . . . . A 876 SER CA . 36491 1 976 . 1 . 1 83 83 SER CB C 13 65.513 0.10 . 1 . . . . A 876 SER CB . 36491 1 977 . 1 . 1 83 83 SER N N 15 121.916 0.01 . 1 . . . . A 876 SER N . 36491 1 978 . 1 . 1 84 84 ASN H H 1 8.069 0.01 . 1 . . . . A 877 ASN H . 36491 1 979 . 1 . 1 84 84 ASN HA H 1 4.586 0.00 . 1 . . . . A 877 ASN HA . 36491 1 980 . 1 . 1 84 84 ASN HB2 H 1 2.716 0.01 . . . . . . A 877 ASN HB2 . 36491 1 981 . 1 . 1 84 84 ASN HB3 H 1 2.696 0.00 . . . . . . A 877 ASN HB3 . 36491 1 982 . 1 . 1 84 84 ASN HD21 H 1 7.493 0.00 . . . . . . A 877 ASN HD21 . 36491 1 983 . 1 . 1 84 84 ASN HD22 H 1 6.807 0.00 . . . . . . A 877 ASN HD22 . 36491 1 984 . 1 . 1 84 84 ASN C C 13 177.125 0.00 . 1 . . . . A 877 ASN C . 36491 1 985 . 1 . 1 84 84 ASN CA C 13 55.632 0.10 . 1 . . . . A 877 ASN CA . 36491 1 986 . 1 . 1 84 84 ASN CB C 13 40.773 0.06 . 1 . . . . A 877 ASN CB . 36491 1 987 . 1 . 1 84 84 ASN N N 15 127.491 0.01 . 1 . . . . A 877 ASN N . 36491 1 988 . 1 . 1 84 84 ASN ND2 N 15 112.212 0.01 . 1 . . . . A 877 ASN ND2 . 36491 1 stop_ save_