data_30300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30300 _Entry.Title ; Solution NMR structure of human Rev1 (932-1039) in complex with ubiquitin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-29 _Entry.Accession_date 2017-05-29 _Entry.Last_release_date 2017-06-01 _Entry.Original_release_date 2017-06-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Cui G. . . . 30300 2 M. Botuyan M. V. . . 30300 3 G. Mer G. . . . 30300 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA repair' . 30300 'DNA replication' . 30300 PCNA . 30300 'PROTEIN BINDING' . 30300 Rev1 . 30300 'Translesion DNA synthesis' . 30300 ubiquitin . 30300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 802 30300 '15N chemical shifts' 173 30300 '1H chemical shifts' 1289 30300 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-08-03 2017-05-29 update BMRB 'update entry citation' 30300 1 . . 2018-05-17 2017-05-29 original author 'original release' 30300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5VZM 'BMRB Entry Tracking System' 30300 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30300 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29778604 _Citation.Full_citation . _Citation.Title ; Solution NMR structure of human Rev1 (932-1039) in complex with ubiquitin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 430 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD 0353 _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 2042 _Citation.Page_last 2050 _Citation.Year 2018 _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 G. Cui G. . . . 30300 1 2 M. Botuyan M. V. . . 30300 1 3 G. Mer G. . . . 30300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30300 _Assembly.ID 1 _Assembly.Name 'Ubiquitin, DNA repair protein REV1 (E.C.2.7.7.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30300 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30300 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 2 . 2 CYS 29 29 SG . 2 . 2 CYS 48 48 SG . . . 957 CYS SG . . . 976 CYS SG 30300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 1-76' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8576.831 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30300 1 2 . GLN . 30300 1 3 . ILE . 30300 1 4 . PHE . 30300 1 5 . VAL . 30300 1 6 . LYS . 30300 1 7 . THR . 30300 1 8 . LEU . 30300 1 9 . THR . 30300 1 10 . GLY . 30300 1 11 . LYS . 30300 1 12 . THR . 30300 1 13 . ILE . 30300 1 14 . THR . 30300 1 15 . LEU . 30300 1 16 . GLU . 30300 1 17 . VAL . 30300 1 18 . GLU . 30300 1 19 . PRO . 30300 1 20 . SER . 30300 1 21 . ASP . 30300 1 22 . THR . 30300 1 23 . ILE . 30300 1 24 . GLU . 30300 1 25 . ASN . 30300 1 26 . VAL . 30300 1 27 . LYS . 30300 1 28 . ALA . 30300 1 29 . LYS . 30300 1 30 . ILE . 30300 1 31 . GLN . 30300 1 32 . ASP . 30300 1 33 . LYS . 30300 1 34 . GLU . 30300 1 35 . GLY . 30300 1 36 . ILE . 30300 1 37 . PRO . 30300 1 38 . PRO . 30300 1 39 . ASP . 30300 1 40 . GLN . 30300 1 41 . GLN . 30300 1 42 . ARG . 30300 1 43 . LEU . 30300 1 44 . ILE . 30300 1 45 . PHE . 30300 1 46 . ALA . 30300 1 47 . GLY . 30300 1 48 . LYS . 30300 1 49 . GLN . 30300 1 50 . LEU . 30300 1 51 . GLU . 30300 1 52 . ASP . 30300 1 53 . GLY . 30300 1 54 . ARG . 30300 1 55 . THR . 30300 1 56 . LEU . 30300 1 57 . SER . 30300 1 58 . ASP . 30300 1 59 . TYR . 30300 1 60 . ASN . 30300 1 61 . ILE . 30300 1 62 . GLN . 30300 1 63 . LYS . 30300 1 64 . GLU . 30300 1 65 . SER . 30300 1 66 . THR . 30300 1 67 . LEU . 30300 1 68 . HIS . 30300 1 69 . LEU . 30300 1 70 . VAL . 30300 1 71 . LEU . 30300 1 72 . ARG . 30300 1 73 . LEU . 30300 1 74 . ARG . 30300 1 75 . GLY . 30300 1 76 . GLY . 30300 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30300 1 . GLN 2 2 30300 1 . ILE 3 3 30300 1 . PHE 4 4 30300 1 . VAL 5 5 30300 1 . LYS 6 6 30300 1 . THR 7 7 30300 1 . LEU 8 8 30300 1 . THR 9 9 30300 1 . GLY 10 10 30300 1 . LYS 11 11 30300 1 . THR 12 12 30300 1 . ILE 13 13 30300 1 . THR 14 14 30300 1 . LEU 15 15 30300 1 . GLU 16 16 30300 1 . VAL 17 17 30300 1 . GLU 18 18 30300 1 . PRO 19 19 30300 1 . SER 20 20 30300 1 . ASP 21 21 30300 1 . THR 22 22 30300 1 . ILE 23 23 30300 1 . GLU 24 24 30300 1 . ASN 25 25 30300 1 . VAL 26 26 30300 1 . LYS 27 27 30300 1 . ALA 28 28 30300 1 . LYS 29 29 30300 1 . ILE 30 30 30300 1 . GLN 31 31 30300 1 . ASP 32 32 30300 1 . LYS 33 33 30300 1 . GLU 34 34 30300 1 . GLY 35 35 30300 1 . ILE 36 36 30300 1 . PRO 37 37 30300 1 . PRO 38 38 30300 1 . ASP 39 39 30300 1 . GLN 40 40 30300 1 . GLN 41 41 30300 1 . ARG 42 42 30300 1 . LEU 43 43 30300 1 . ILE 44 44 30300 1 . PHE 45 45 30300 1 . ALA 46 46 30300 1 . GLY 47 47 30300 1 . LYS 48 48 30300 1 . GLN 49 49 30300 1 . LEU 50 50 30300 1 . GLU 51 51 30300 1 . ASP 52 52 30300 1 . GLY 53 53 30300 1 . ARG 54 54 30300 1 . THR 55 55 30300 1 . LEU 56 56 30300 1 . SER 57 57 30300 1 . ASP 58 58 30300 1 . TYR 59 59 30300 1 . ASN 60 60 30300 1 . ILE 61 61 30300 1 . GLN 62 62 30300 1 . LYS 63 63 30300 1 . GLU 64 64 30300 1 . SER 65 65 30300 1 . THR 66 66 30300 1 . LEU 67 67 30300 1 . HIS 68 68 30300 1 . LEU 69 69 30300 1 . VAL 70 70 30300 1 . LEU 71 71 30300 1 . ARG 72 72 30300 1 . LEU 73 73 30300 1 . ARG 74 74 30300 1 . GLY 75 75 30300 1 . GLY 76 76 30300 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30300 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMPSPSQLDQSVLEALPPD LREQVEQVCAVQQAESHGDK KKEPVNGCNTGILPQPVGTV LLQIPEPQESNSDAGINLIA LPAFSQVDPEVFAALPAELQ RELKAAYDQRQ ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'UNP residues 933-1040' _Entity.Mutation . _Entity.EC_number 2.7.7.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11985.354 _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 AIBP80 na 30300 2 'Alpha integrin-binding protein 80' na 30300 2 'Rev1-like terminal deoxycytidyl transferase' na 30300 2 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 1 929 GLY . 30300 2 2 930 HIS . 30300 2 3 931 MET . 30300 2 4 932 PRO . 30300 2 5 933 SER . 30300 2 6 934 PRO . 30300 2 7 935 SER . 30300 2 8 936 GLN . 30300 2 9 937 LEU . 30300 2 10 938 ASP . 30300 2 11 939 GLN . 30300 2 12 940 SER . 30300 2 13 941 VAL . 30300 2 14 942 LEU . 30300 2 15 943 GLU . 30300 2 16 944 ALA . 30300 2 17 945 LEU . 30300 2 18 946 PRO . 30300 2 19 947 PRO . 30300 2 20 948 ASP . 30300 2 21 949 LEU . 30300 2 22 950 ARG . 30300 2 23 951 GLU . 30300 2 24 952 GLN . 30300 2 25 953 VAL . 30300 2 26 954 GLU . 30300 2 27 955 GLN . 30300 2 28 956 VAL . 30300 2 29 957 CYS . 30300 2 30 958 ALA . 30300 2 31 959 VAL . 30300 2 32 960 GLN . 30300 2 33 961 GLN . 30300 2 34 962 ALA . 30300 2 35 963 GLU . 30300 2 36 964 SER . 30300 2 37 965 HIS . 30300 2 38 966 GLY . 30300 2 39 967 ASP . 30300 2 40 968 LYS . 30300 2 41 969 LYS . 30300 2 42 970 LYS . 30300 2 43 971 GLU . 30300 2 44 972 PRO . 30300 2 45 973 VAL . 30300 2 46 974 ASN . 30300 2 47 975 GLY . 30300 2 48 976 CYS . 30300 2 49 977 ASN . 30300 2 50 978 THR . 30300 2 51 979 GLY . 30300 2 52 980 ILE . 30300 2 53 981 LEU . 30300 2 54 982 PRO . 30300 2 55 983 GLN . 30300 2 56 984 PRO . 30300 2 57 985 VAL . 30300 2 58 986 GLY . 30300 2 59 987 THR . 30300 2 60 988 VAL . 30300 2 61 989 LEU . 30300 2 62 990 LEU . 30300 2 63 991 GLN . 30300 2 64 992 ILE . 30300 2 65 993 PRO . 30300 2 66 994 GLU . 30300 2 67 995 PRO . 30300 2 68 996 GLN . 30300 2 69 997 GLU . 30300 2 70 998 SER . 30300 2 71 999 ASN . 30300 2 72 1000 SER . 30300 2 73 1001 ASP . 30300 2 74 1002 ALA . 30300 2 75 1003 GLY . 30300 2 76 1004 ILE . 30300 2 77 1005 ASN . 30300 2 78 1006 LEU . 30300 2 79 1007 ILE . 30300 2 80 1008 ALA . 30300 2 81 1009 LEU . 30300 2 82 1010 PRO . 30300 2 83 1011 ALA . 30300 2 84 1012 PHE . 30300 2 85 1013 SER . 30300 2 86 1014 GLN . 30300 2 87 1015 VAL . 30300 2 88 1016 ASP . 30300 2 89 1017 PRO . 30300 2 90 1018 GLU . 30300 2 91 1019 VAL . 30300 2 92 1020 PHE . 30300 2 93 1021 ALA . 30300 2 94 1022 ALA . 30300 2 95 1023 LEU . 30300 2 96 1024 PRO . 30300 2 97 1025 ALA . 30300 2 98 1026 GLU . 30300 2 99 1027 LEU . 30300 2 100 1028 GLN . 30300 2 101 1029 ARG . 30300 2 102 1030 GLU . 30300 2 103 1031 LEU . 30300 2 104 1032 LYS . 30300 2 105 1033 ALA . 30300 2 106 1034 ALA . 30300 2 107 1035 TYR . 30300 2 108 1036 ASP . 30300 2 109 1037 GLN . 30300 2 110 1038 ARG . 30300 2 111 1039 GLN . 30300 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30300 2 . HIS 2 2 30300 2 . MET 3 3 30300 2 . PRO 4 4 30300 2 . SER 5 5 30300 2 . PRO 6 6 30300 2 . SER 7 7 30300 2 . GLN 8 8 30300 2 . LEU 9 9 30300 2 . ASP 10 10 30300 2 . GLN 11 11 30300 2 . SER 12 12 30300 2 . VAL 13 13 30300 2 . LEU 14 14 30300 2 . GLU 15 15 30300 2 . ALA 16 16 30300 2 . LEU 17 17 30300 2 . PRO 18 18 30300 2 . PRO 19 19 30300 2 . ASP 20 20 30300 2 . LEU 21 21 30300 2 . ARG 22 22 30300 2 . GLU 23 23 30300 2 . GLN 24 24 30300 2 . VAL 25 25 30300 2 . GLU 26 26 30300 2 . GLN 27 27 30300 2 . VAL 28 28 30300 2 . CYS 29 29 30300 2 . ALA 30 30 30300 2 . VAL 31 31 30300 2 . GLN 32 32 30300 2 . GLN 33 33 30300 2 . ALA 34 34 30300 2 . GLU 35 35 30300 2 . SER 36 36 30300 2 . HIS 37 37 30300 2 . GLY 38 38 30300 2 . ASP 39 39 30300 2 . LYS 40 40 30300 2 . LYS 41 41 30300 2 . LYS 42 42 30300 2 . GLU 43 43 30300 2 . PRO 44 44 30300 2 . VAL 45 45 30300 2 . ASN 46 46 30300 2 . GLY 47 47 30300 2 . CYS 48 48 30300 2 . ASN 49 49 30300 2 . THR 50 50 30300 2 . GLY 51 51 30300 2 . ILE 52 52 30300 2 . LEU 53 53 30300 2 . PRO 54 54 30300 2 . GLN 55 55 30300 2 . PRO 56 56 30300 2 . VAL 57 57 30300 2 . GLY 58 58 30300 2 . THR 59 59 30300 2 . VAL 60 60 30300 2 . LEU 61 61 30300 2 . LEU 62 62 30300 2 . GLN 63 63 30300 2 . ILE 64 64 30300 2 . PRO 65 65 30300 2 . GLU 66 66 30300 2 . PRO 67 67 30300 2 . GLN 68 68 30300 2 . GLU 69 69 30300 2 . SER 70 70 30300 2 . ASN 71 71 30300 2 . SER 72 72 30300 2 . ASP 73 73 30300 2 . ALA 74 74 30300 2 . GLY 75 75 30300 2 . ILE 76 76 30300 2 . ASN 77 77 30300 2 . LEU 78 78 30300 2 . ILE 79 79 30300 2 . ALA 80 80 30300 2 . LEU 81 81 30300 2 . PRO 82 82 30300 2 . ALA 83 83 30300 2 . PHE 84 84 30300 2 . SER 85 85 30300 2 . GLN 86 86 30300 2 . VAL 87 87 30300 2 . ASP 88 88 30300 2 . PRO 89 89 30300 2 . GLU 90 90 30300 2 . VAL 91 91 30300 2 . PHE 92 92 30300 2 . ALA 93 93 30300 2 . ALA 94 94 30300 2 . LEU 95 95 30300 2 . PRO 96 96 30300 2 . ALA 97 97 30300 2 . GLU 98 98 30300 2 . LEU 99 99 30300 2 . GLN 100 100 30300 2 . ARG 101 101 30300 2 . GLU 102 102 30300 2 . LEU 103 103 30300 2 . LYS 104 104 30300 2 . ALA 105 105 30300 2 . ALA 106 106 30300 2 . TYR 107 107 30300 2 . ASP 108 108 30300 2 . GLN 109 109 30300 2 . ARG 110 110 30300 2 . GLN 111 111 30300 2 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 30300 _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 . . . . . . . . . . . UBB . 30300 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'REV1, REV1L' . 30300 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 30300 _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' . . 469008 Escherichia coli BL21(DE3) . . Plasmid . . pRSUb . . . 30300 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . Plasmid . . pTEV . . . 30300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30300 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] Ubiquitin, 20 mM Sodium phosphate buffer, 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 'Sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 30300 1 2 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30300 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30300 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] Rev1, 3 mM Ubiquitin, 50 mM Sodium phosphate buffer, 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 Rev1 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 30300 2 2 'Sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 30300 2 3 Ubiquitin 'natural abundance' . . 1 $entity_1 . . 3 . . mM . . . . 30300 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30300 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '3 mM Rev1, 1 mM [U-100% 13C; U-100% 15N] Ubiquitin, 50 mM Sodium phosphate buffer, 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 Rev1 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 30300 3 2 'Sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 30300 3 3 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30300 3 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 30300 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30300 1 pH 7.0 . pH 30300 1 pressure 1 . atm 30300 1 temperature 303 . K 30300 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30300 _Sample_condition_list.ID 2 _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' 50 . mM 30300 2 pH 6.8 . pH 30300 2 pressure 1 . atm 30300 2 temperature 303 . K 30300 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30300 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30300 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30300 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30300 _Software.ID 2 _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' . . 30300 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30300 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30300 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _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' . . 30300 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30300 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30300 _Software.ID 4 _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' . . 30300 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30300 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30300 _Software.ID 5 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30300 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30300 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30300 _Software.ID 6 _Software.Type . _Software.Name SANE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 30300 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30300 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30300 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30300 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30300 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30300 _Software.ID 8 _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' . . 30300 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30300 8 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 30300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30300 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 30300 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 30300 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 10 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 17 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 18 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 19 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 20 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 21 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 22 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 23 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 24 '3D (H)CC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 25 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 26 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 27 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 28 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 29 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 30 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 31 '13C,15N-filetered/edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 32 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 33 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 34 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 35 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 1 36 '13C,15N-filetered/edited NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30300 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 30300 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30300 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30300 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30300 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 30300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 30300 1 2 '2D 1H-13C HSQC' . . . 30300 1 3 '2D 1H-13C HSQC aromatic' . . . 30300 1 4 '3D HNCACB' . . . 30300 1 5 '3D CBCA(CO)NH' . . . 30300 1 6 '3D HNCO' . . . 30300 1 7 '3D HN(CA)CO' . . . 30300 1 8 '3D HBHA(CO)NH' . . . 30300 1 9 '3D H(CCO)NH' . . . 30300 1 10 '3D (H)CC(CO)NH' . . . 30300 1 11 '3D 1H-15N TOCSY' . . . 30300 1 12 '3D 1H-15N NOESY' . . . 30300 1 13 '3D 1H-13C NOESY' . . . 30300 1 14 '3D 1H-13C NOESY aromatic' . . . 30300 1 15 '2D 1H-15N HSQC' . . . 30300 1 16 '2D 1H-13C HSQC' . . . 30300 1 17 '2D 1H-13C HSQC aromatic' . . . 30300 1 18 '3D HNCACB' . . . 30300 1 19 '3D CBCA(CO)NH' . . . 30300 1 20 '3D HNCO' . . . 30300 1 21 '3D HN(CA)CO' . . . 30300 1 22 '3D HBHA(CO)NH' . . . 30300 1 23 '3D H(CCO)NH' . . . 30300 1 24 '3D (H)CC(CO)NH' . . . 30300 1 25 '3D HCCH-TOCSY' . . . 30300 1 26 '3D HCCH-TOCSY' . . . 30300 1 27 '3D 1H-15N TOCSY' . . . 30300 1 28 '3D 1H-15N NOESY' . . . 30300 1 29 '3D 1H-13C NOESY' . . . 30300 1 30 '3D 1H-13C NOESY aromatic' . . . 30300 1 31 '13C,15N-filetered/edited NOESY' . . . 30300 1 32 '2D 1H-15N HSQC' . . . 30300 1 33 '2D 1H-13C HSQC' . . . 30300 1 34 '3D 1H-15N NOESY' . . . 30300 1 35 '3D 1H-13C NOESY' . . . 30300 1 36 '13C,15N-filetered/edited NOESY' . . . 30300 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 MET HA H 1 4.230 0.03 . 1 . . . . A 1 MET HA . 30300 1 2 . 1 1 1 1 MET HB2 H 1 2.055 0.03 . 2 . . . . A 1 MET HB2 . 30300 1 3 . 1 1 1 1 MET HB3 H 1 2.109 0.03 . 2 . . . . A 1 MET HB3 . 30300 1 4 . 1 1 1 1 MET HG2 H 1 1.918 0.03 . 2 . . . . A 1 MET HG2 . 30300 1 5 . 1 1 1 1 MET HG3 H 1 2.558 0.03 . 2 . . . . A 1 MET HG3 . 30300 1 6 . 1 1 1 1 MET HE1 H 1 1.620 0.03 . 1 . . . . A 1 MET HE1 . 30300 1 7 . 1 1 1 1 MET HE2 H 1 1.620 0.03 . 1 . . . . A 1 MET HE2 . 30300 1 8 . 1 1 1 1 MET HE3 H 1 1.620 0.03 . 1 . . . . A 1 MET HE3 . 30300 1 9 . 1 1 1 1 MET C C 13 170.423 0.30 . 1 . . . . A 1 MET C . 30300 1 10 . 1 1 1 1 MET CA C 13 54.500 0.30 . 1 . . . . A 1 MET CA . 30300 1 11 . 1 1 1 1 MET CB C 13 33.057 0.30 . 1 . . . . A 1 MET CB . 30300 1 12 . 1 1 1 1 MET CG C 13 30.903 0.30 . 1 . . . . A 1 MET CG . 30300 1 13 . 1 1 1 1 MET CE C 13 17.781 0.30 . 1 . . . . A 1 MET CE . 30300 1 14 . 1 1 2 2 GLN HA H 1 5.321 0.03 . 1 . . . . A 2 GLN HA . 30300 1 15 . 1 1 2 2 GLN HB2 H 1 1.857 0.03 . 2 . . . . A 2 GLN HB2 . 30300 1 16 . 1 1 2 2 GLN HB3 H 1 1.600 0.03 . 2 . . . . A 2 GLN HB3 . 30300 1 17 . 1 1 2 2 GLN HG2 H 1 1.867 0.03 . 2 . . . . A 2 GLN HG2 . 30300 1 18 . 1 1 2 2 GLN HG3 H 1 2.239 0.03 . 2 . . . . A 2 GLN HG3 . 30300 1 19 . 1 1 2 2 GLN HE21 H 1 7.694 0.03 . 2 . . . . A 2 GLN HE21 . 30300 1 20 . 1 1 2 2 GLN HE22 H 1 6.769 0.03 . 2 . . . . A 2 GLN HE22 . 30300 1 21 . 1 1 2 2 GLN C C 13 176.018 0.30 . 1 . . . . A 2 GLN C . 30300 1 22 . 1 1 2 2 GLN CA C 13 50.061 0.30 . 1 . . . . A 2 GLN CA . 30300 1 23 . 1 1 2 2 GLN CB C 13 30.669 0.30 . 1 . . . . A 2 GLN CB . 30300 1 24 . 1 1 2 2 GLN CG C 13 34.573 0.30 . 1 . . . . A 2 GLN CG . 30300 1 25 . 1 1 2 2 GLN NE2 N 15 111.165 0.30 . 1 . . . . A 2 GLN NE2 . 30300 1 26 . 1 1 3 3 ILE H H 1 8.290 0.03 . 1 . . . . A 3 ILE H . 30300 1 27 . 1 1 3 3 ILE HA H 1 4.165 0.03 . 1 . . . . A 3 ILE HA . 30300 1 28 . 1 1 3 3 ILE HB H 1 1.756 0.03 . 1 . . . . A 3 ILE HB . 30300 1 29 . 1 1 3 3 ILE HG12 H 1 0.811 0.03 . 2 . . . . A 3 ILE HG12 . 30300 1 30 . 1 1 3 3 ILE HG13 H 1 1.048 0.03 . 2 . . . . A 3 ILE HG13 . 30300 1 31 . 1 1 3 3 ILE HG21 H 1 0.602 0.03 . 1 . . . . A 3 ILE HG21 . 30300 1 32 . 1 1 3 3 ILE HG22 H 1 0.602 0.03 . 1 . . . . A 3 ILE HG22 . 30300 1 33 . 1 1 3 3 ILE HG23 H 1 0.602 0.03 . 1 . . . . A 3 ILE HG23 . 30300 1 34 . 1 1 3 3 ILE HD11 H 1 0.569 0.03 . 1 . . . . A 3 ILE HD11 . 30300 1 35 . 1 1 3 3 ILE HD12 H 1 0.569 0.03 . 1 . . . . A 3 ILE HD12 . 30300 1 36 . 1 1 3 3 ILE HD13 H 1 0.569 0.03 . 1 . . . . A 3 ILE HD13 . 30300 1 37 . 1 1 3 3 ILE C C 13 172.241 0.30 . 1 . . . . A 3 ILE C . 30300 1 38 . 1 1 3 3 ILE CA C 13 59.646 0.30 . 1 . . . . A 3 ILE CA . 30300 1 39 . 1 1 3 3 ILE CB C 13 42.072 0.30 . 1 . . . . A 3 ILE CB . 30300 1 40 . 1 1 3 3 ILE CG1 C 13 24.957 0.30 . 1 . . . . A 3 ILE CG1 . 30300 1 41 . 1 1 3 3 ILE CG2 C 13 17.788 0.30 . 1 . . . . A 3 ILE CG2 . 30300 1 42 . 1 1 3 3 ILE CD1 C 13 14.160 0.30 . 1 . . . . A 3 ILE CD1 . 30300 1 43 . 1 1 3 3 ILE N N 15 114.774 0.30 . 1 . . . . A 3 ILE N . 30300 1 44 . 1 1 4 4 PHE H H 1 8.575 0.03 . 1 . . . . A 4 PHE H . 30300 1 45 . 1 1 4 4 PHE HA H 1 5.548 0.03 . 1 . . . . A 4 PHE HA . 30300 1 46 . 1 1 4 4 PHE HB2 H 1 3.035 0.03 . 2 . . . . A 4 PHE HB2 . 30300 1 47 . 1 1 4 4 PHE HB3 H 1 2.820 0.03 . 2 . . . . A 4 PHE HB3 . 30300 1 48 . 1 1 4 4 PHE HD1 H 1 7.053 0.03 . 3 . . . . A 4 PHE HD1 . 30300 1 49 . 1 1 4 4 PHE HD2 H 1 7.053 0.03 . 3 . . . . A 4 PHE HD2 . 30300 1 50 . 1 1 4 4 PHE HE1 H 1 7.218 0.03 . 3 . . . . A 4 PHE HE1 . 30300 1 51 . 1 1 4 4 PHE HE2 H 1 7.218 0.03 . 3 . . . . A 4 PHE HE2 . 30300 1 52 . 1 1 4 4 PHE HZ H 1 7.222 0.03 . 1 . . . . A 4 PHE HZ . 30300 1 53 . 1 1 4 4 PHE C C 13 174.852 0.30 . 1 . . . . A 4 PHE C . 30300 1 54 . 1 1 4 4 PHE CA C 13 55.223 0.30 . 1 . . . . A 4 PHE CA . 30300 1 55 . 1 1 4 4 PHE CB C 13 41.087 0.30 . 1 . . . . A 4 PHE CB . 30300 1 56 . 1 1 4 4 PHE CD1 C 13 132.170 0.30 . 3 . . . . A 4 PHE CD1 . 30300 1 57 . 1 1 4 4 PHE CD2 C 13 132.170 0.30 . 3 . . . . A 4 PHE CD2 . 30300 1 58 . 1 1 4 4 PHE CE1 C 13 129.476 0.30 . 3 . . . . A 4 PHE CE1 . 30300 1 59 . 1 1 4 4 PHE CE2 C 13 131.336 0.30 . 3 . . . . A 4 PHE CE2 . 30300 1 60 . 1 1 4 4 PHE CZ C 13 132.728 0.30 . 1 . . . . A 4 PHE CZ . 30300 1 61 . 1 1 4 4 PHE N N 15 118.535 0.30 . 1 . . . . A 4 PHE N . 30300 1 62 . 1 1 5 5 VAL H H 1 9.346 0.03 . 1 . . . . A 5 VAL H . 30300 1 63 . 1 1 5 5 VAL HA H 1 4.745 0.03 . 1 . . . . A 5 VAL HA . 30300 1 64 . 1 1 5 5 VAL HB H 1 1.930 0.03 . 1 . . . . A 5 VAL HB . 30300 1 65 . 1 1 5 5 VAL HG11 H 1 0.681 0.03 . 2 . . . . A 5 VAL HG11 . 30300 1 66 . 1 1 5 5 VAL HG12 H 1 0.681 0.03 . 2 . . . . A 5 VAL HG12 . 30300 1 67 . 1 1 5 5 VAL HG13 H 1 0.681 0.03 . 2 . . . . A 5 VAL HG13 . 30300 1 68 . 1 1 5 5 VAL HG21 H 1 0.716 0.03 . 2 . . . . A 5 VAL HG21 . 30300 1 69 . 1 1 5 5 VAL HG22 H 1 0.716 0.03 . 2 . . . . A 5 VAL HG22 . 30300 1 70 . 1 1 5 5 VAL HG23 H 1 0.716 0.03 . 2 . . . . A 5 VAL HG23 . 30300 1 71 . 1 1 5 5 VAL C C 13 174.560 0.30 . 1 . . . . A 5 VAL C . 30300 1 72 . 1 1 5 5 VAL CA C 13 60.557 0.30 . 1 . . . . A 5 VAL CA . 30300 1 73 . 1 1 5 5 VAL CB C 13 33.949 0.30 . 1 . . . . A 5 VAL CB . 30300 1 74 . 1 1 5 5 VAL CG1 C 13 22.986 0.30 . 2 . . . . A 5 VAL CG1 . 30300 1 75 . 1 1 5 5 VAL CG2 C 13 20.709 0.30 . 2 . . . . A 5 VAL CG2 . 30300 1 76 . 1 1 5 5 VAL N N 15 121.914 0.30 . 1 . . . . A 5 VAL N . 30300 1 77 . 1 1 6 6 LYS H H 1 9.062 0.03 . 1 . . . . A 6 LYS H . 30300 1 78 . 1 1 6 6 LYS HA H 1 5.342 0.03 . 1 . . . . A 6 LYS HA . 30300 1 79 . 1 1 6 6 LYS HB2 H 1 1.612 0.03 . 2 . . . . A 6 LYS HB2 . 30300 1 80 . 1 1 6 6 LYS HB3 H 1 1.319 0.03 . 2 . . . . A 6 LYS HB3 . 30300 1 81 . 1 1 6 6 LYS HG2 H 1 1.335 0.03 . 2 . . . . A 6 LYS HG2 . 30300 1 82 . 1 1 6 6 LYS HG3 H 1 1.498 0.03 . 2 . . . . A 6 LYS HG3 . 30300 1 83 . 1 1 6 6 LYS HD2 H 1 1.582 0.03 . 2 . . . . A 6 LYS HD2 . 30300 1 84 . 1 1 6 6 LYS HD3 H 1 1.582 0.03 . 2 . . . . A 6 LYS HD3 . 30300 1 85 . 1 1 6 6 LYS HE2 H 1 2.803 0.03 . 2 . . . . A 6 LYS HE2 . 30300 1 86 . 1 1 6 6 LYS HE3 H 1 2.803 0.03 . 2 . . . . A 6 LYS HE3 . 30300 1 87 . 1 1 6 6 LYS C C 13 176.504 0.30 . 1 . . . . A 6 LYS C . 30300 1 88 . 1 1 6 6 LYS CA C 13 54.665 0.30 . 1 . . . . A 6 LYS CA . 30300 1 89 . 1 1 6 6 LYS CB C 13 35.379 0.30 . 1 . . . . A 6 LYS CB . 30300 1 90 . 1 1 6 6 LYS CG C 13 24.831 0.30 . 1 . . . . A 6 LYS CG . 30300 1 91 . 1 1 6 6 LYS CD C 13 29.643 0.30 . 1 . . . . A 6 LYS CD . 30300 1 92 . 1 1 6 6 LYS CE C 13 41.711 0.30 . 1 . . . . A 6 LYS CE . 30300 1 93 . 1 1 6 6 LYS N N 15 128.051 0.30 . 1 . . . . A 6 LYS N . 30300 1 94 . 1 1 7 7 THR H H 1 8.729 0.03 . 1 . . . . A 7 THR H . 30300 1 95 . 1 1 7 7 THR HA H 1 5.193 0.03 . 1 . . . . A 7 THR HA . 30300 1 96 . 1 1 7 7 THR HB H 1 4.840 0.03 . 1 . . . . A 7 THR HB . 30300 1 97 . 1 1 7 7 THR HG21 H 1 1.208 0.03 . 1 . . . . A 7 THR HG21 . 30300 1 98 . 1 1 7 7 THR HG22 H 1 1.208 0.03 . 1 . . . . A 7 THR HG22 . 30300 1 99 . 1 1 7 7 THR HG23 H 1 1.208 0.03 . 1 . . . . A 7 THR HG23 . 30300 1 100 . 1 1 7 7 THR C C 13 176.504 0.30 . 1 . . . . A 7 THR C . 30300 1 101 . 1 1 7 7 THR CA C 13 60.558 0.30 . 1 . . . . A 7 THR CA . 30300 1 102 . 1 1 7 7 THR CB C 13 70.759 0.30 . 1 . . . . A 7 THR CB . 30300 1 103 . 1 1 7 7 THR CG2 C 13 21.698 0.30 . 1 . . . . A 7 THR CG2 . 30300 1 104 . 1 1 7 7 THR N N 15 114.585 0.30 . 1 . . . . A 7 THR N . 30300 1 105 . 1 1 8 8 LEU H H 1 9.023 0.03 . 1 . . . . A 8 LEU H . 30300 1 106 . 1 1 8 8 LEU HA H 1 4.256 0.03 . 1 . . . . A 8 LEU HA . 30300 1 107 . 1 1 8 8 LEU HB2 H 1 1.966 0.03 . 2 . . . . A 8 LEU HB2 . 30300 1 108 . 1 1 8 8 LEU HB3 H 1 1.966 0.03 . 2 . . . . A 8 LEU HB3 . 30300 1 109 . 1 1 8 8 LEU HG H 1 2.126 0.03 . 1 . . . . A 8 LEU HG . 30300 1 110 . 1 1 8 8 LEU HD11 H 1 1.269 0.03 . 2 . . . . A 8 LEU HD11 . 30300 1 111 . 1 1 8 8 LEU HD12 H 1 1.269 0.03 . 2 . . . . A 8 LEU HD12 . 30300 1 112 . 1 1 8 8 LEU HD13 H 1 1.269 0.03 . 2 . . . . A 8 LEU HD13 . 30300 1 113 . 1 1 8 8 LEU HD21 H 1 1.145 0.03 . 2 . . . . A 8 LEU HD21 . 30300 1 114 . 1 1 8 8 LEU HD22 H 1 1.145 0.03 . 2 . . . . A 8 LEU HD22 . 30300 1 115 . 1 1 8 8 LEU HD23 H 1 1.145 0.03 . 2 . . . . A 8 LEU HD23 . 30300 1 116 . 1 1 8 8 LEU C C 13 176.629 0.30 . 1 . . . . A 8 LEU C . 30300 1 117 . 1 1 8 8 LEU CA C 13 56.934 0.30 . 1 . . . . A 8 LEU CA . 30300 1 118 . 1 1 8 8 LEU CB C 13 42.494 0.30 . 1 . . . . A 8 LEU CB . 30300 1 119 . 1 1 8 8 LEU CG C 13 27.820 0.30 . 1 . . . . A 8 LEU CG . 30300 1 120 . 1 1 8 8 LEU CD1 C 13 25.933 0.30 . 2 . . . . A 8 LEU CD1 . 30300 1 121 . 1 1 8 8 LEU CD2 C 13 24.792 0.30 . 2 . . . . A 8 LEU CD2 . 30300 1 122 . 1 1 8 8 LEU N N 15 119.735 0.30 . 1 . . . . A 8 LEU N . 30300 1 123 . 1 1 9 9 THR H H 1 7.570 0.03 . 1 . . . . A 9 THR H . 30300 1 124 . 1 1 9 9 THR HA H 1 4.754 0.03 . 1 . . . . A 9 THR HA . 30300 1 125 . 1 1 9 9 THR HB H 1 4.622 0.03 . 1 . . . . A 9 THR HB . 30300 1 126 . 1 1 9 9 THR HG21 H 1 1.210 0.03 . 1 . . . . A 9 THR HG21 . 30300 1 127 . 1 1 9 9 THR HG22 H 1 1.210 0.03 . 1 . . . . A 9 THR HG22 . 30300 1 128 . 1 1 9 9 THR HG23 H 1 1.210 0.03 . 1 . . . . A 9 THR HG23 . 30300 1 129 . 1 1 9 9 THR C C 13 175.990 0.30 . 1 . . . . A 9 THR C . 30300 1 130 . 1 1 9 9 THR CA C 13 61.141 0.30 . 1 . . . . A 9 THR CA . 30300 1 131 . 1 1 9 9 THR CB C 13 69.366 0.30 . 1 . . . . A 9 THR CB . 30300 1 132 . 1 1 9 9 THR CG2 C 13 21.901 0.30 . 1 . . . . A 9 THR CG2 . 30300 1 133 . 1 1 9 9 THR N N 15 103.838 0.30 . 1 . . . . A 9 THR N . 30300 1 134 . 1 1 10 10 GLY H H 1 7.942 0.03 . 1 . . . . A 10 GLY H . 30300 1 135 . 1 1 10 10 GLY HA2 H 1 4.531 0.03 . 2 . . . . A 10 GLY HA2 . 30300 1 136 . 1 1 10 10 GLY HA3 H 1 3.593 0.03 . 2 . . . . A 10 GLY HA3 . 30300 1 137 . 1 1 10 10 GLY C C 13 173.894 0.30 . 1 . . . . A 10 GLY C . 30300 1 138 . 1 1 10 10 GLY CA C 13 45.186 0.30 . 1 . . . . A 10 GLY CA . 30300 1 139 . 1 1 10 10 GLY N N 15 109.938 0.30 . 1 . . . . A 10 GLY N . 30300 1 140 . 1 1 11 11 LYS H H 1 7.283 0.03 . 1 . . . . A 11 LYS H . 30300 1 141 . 1 1 11 11 LYS HA H 1 4.332 0.03 . 1 . . . . A 11 LYS HA . 30300 1 142 . 1 1 11 11 LYS HB2 H 1 1.797 0.03 . 2 . . . . A 11 LYS HB2 . 30300 1 143 . 1 1 11 11 LYS HB3 H 1 1.695 0.03 . 2 . . . . A 11 LYS HB3 . 30300 1 144 . 1 1 11 11 LYS HG2 H 1 1.207 0.03 . 2 . . . . A 11 LYS HG2 . 30300 1 145 . 1 1 11 11 LYS HG3 H 1 1.403 0.03 . 2 . . . . A 11 LYS HG3 . 30300 1 146 . 1 1 11 11 LYS HD2 H 1 1.592 0.03 . 2 . . . . A 11 LYS HD2 . 30300 1 147 . 1 1 11 11 LYS HD3 H 1 1.592 0.03 . 2 . . . . A 11 LYS HD3 . 30300 1 148 . 1 1 11 11 LYS HE2 H 1 2.902 0.03 . 2 . . . . A 11 LYS HE2 . 30300 1 149 . 1 1 11 11 LYS HE3 H 1 2.902 0.03 . 2 . . . . A 11 LYS HE3 . 30300 1 150 . 1 1 11 11 LYS C C 13 175.768 0.30 . 1 . . . . A 11 LYS C . 30300 1 151 . 1 1 11 11 LYS CA C 13 56.566 0.30 . 1 . . . . A 11 LYS CA . 30300 1 152 . 1 1 11 11 LYS CB C 13 32.912 0.30 . 1 . . . . A 11 LYS CB . 30300 1 153 . 1 1 11 11 LYS CG C 13 25.339 0.30 . 1 . . . . A 11 LYS CG . 30300 1 154 . 1 1 11 11 LYS CD C 13 29.210 0.30 . 1 . . . . A 11 LYS CD . 30300 1 155 . 1 1 11 11 LYS CE C 13 41.964 0.30 . 1 . . . . A 11 LYS CE . 30300 1 156 . 1 1 11 11 LYS N N 15 122.603 0.30 . 1 . . . . A 11 LYS N . 30300 1 157 . 1 1 12 12 THR H H 1 8.623 0.03 . 1 . . . . A 12 THR H . 30300 1 158 . 1 1 12 12 THR HA H 1 5.067 0.03 . 1 . . . . A 12 THR HA . 30300 1 159 . 1 1 12 12 THR HB H 1 3.927 0.03 . 1 . . . . A 12 THR HB . 30300 1 160 . 1 1 12 12 THR HG21 H 1 1.057 0.03 . 1 . . . . A 12 THR HG21 . 30300 1 161 . 1 1 12 12 THR HG22 H 1 1.057 0.03 . 1 . . . . A 12 THR HG22 . 30300 1 162 . 1 1 12 12 THR HG23 H 1 1.057 0.03 . 1 . . . . A 12 THR HG23 . 30300 1 163 . 1 1 12 12 THR C C 13 174.074 0.30 . 1 . . . . A 12 THR C . 30300 1 164 . 1 1 12 12 THR CA C 13 62.550 0.30 . 1 . . . . A 12 THR CA . 30300 1 165 . 1 1 12 12 THR CB C 13 69.886 0.30 . 1 . . . . A 12 THR CB . 30300 1 166 . 1 1 12 12 THR CG2 C 13 21.847 0.30 . 1 . . . . A 12 THR CG2 . 30300 1 167 . 1 1 12 12 THR N N 15 120.689 0.30 . 1 . . . . A 12 THR N . 30300 1 168 . 1 1 13 13 ILE H H 1 9.713 0.03 . 1 . . . . A 13 ILE H . 30300 1 169 . 1 1 13 13 ILE HA H 1 4.386 0.03 . 1 . . . . A 13 ILE HA . 30300 1 170 . 1 1 13 13 ILE HB H 1 1.828 0.03 . 1 . . . . A 13 ILE HB . 30300 1 171 . 1 1 13 13 ILE HG12 H 1 1.043 0.03 . 2 . . . . A 13 ILE HG12 . 30300 1 172 . 1 1 13 13 ILE HG13 H 1 1.468 0.03 . 2 . . . . A 13 ILE HG13 . 30300 1 173 . 1 1 13 13 ILE HG21 H 1 0.857 0.03 . 1 . . . . A 13 ILE HG21 . 30300 1 174 . 1 1 13 13 ILE HG22 H 1 0.857 0.03 . 1 . . . . A 13 ILE HG22 . 30300 1 175 . 1 1 13 13 ILE HG23 H 1 0.857 0.03 . 1 . . . . A 13 ILE HG23 . 30300 1 176 . 1 1 13 13 ILE HD11 H 1 0.696 0.03 . 1 . . . . A 13 ILE HD11 . 30300 1 177 . 1 1 13 13 ILE HD12 H 1 0.696 0.03 . 1 . . . . A 13 ILE HD12 . 30300 1 178 . 1 1 13 13 ILE HD13 H 1 0.696 0.03 . 1 . . . . A 13 ILE HD13 . 30300 1 179 . 1 1 13 13 ILE C C 13 175.254 0.30 . 1 . . . . A 13 ILE C . 30300 1 180 . 1 1 13 13 ILE CA C 13 60.284 0.30 . 1 . . . . A 13 ILE CA . 30300 1 181 . 1 1 13 13 ILE CB C 13 39.994 0.30 . 1 . . . . A 13 ILE CB . 30300 1 182 . 1 1 13 13 ILE CG1 C 13 27.124 0.30 . 1 . . . . A 13 ILE CG1 . 30300 1 183 . 1 1 13 13 ILE CG2 C 13 17.753 0.30 . 1 . . . . A 13 ILE CG2 . 30300 1 184 . 1 1 13 13 ILE CD1 C 13 14.718 0.30 . 1 . . . . A 13 ILE CD1 . 30300 1 185 . 1 1 13 13 ILE N N 15 129.286 0.30 . 1 . . . . A 13 ILE N . 30300 1 186 . 1 1 14 14 THR H H 1 8.774 0.03 . 1 . . . . A 14 THR H . 30300 1 187 . 1 1 14 14 THR HA H 1 4.931 0.03 . 1 . . . . A 14 THR HA . 30300 1 188 . 1 1 14 14 THR HB H 1 4.034 0.03 . 1 . . . . A 14 THR HB . 30300 1 189 . 1 1 14 14 THR HG21 H 1 1.126 0.03 . 1 . . . . A 14 THR HG21 . 30300 1 190 . 1 1 14 14 THR HG22 H 1 1.126 0.03 . 1 . . . . A 14 THR HG22 . 30300 1 191 . 1 1 14 14 THR HG23 H 1 1.126 0.03 . 1 . . . . A 14 THR HG23 . 30300 1 192 . 1 1 14 14 THR C C 13 173.644 0.30 . 1 . . . . A 14 THR C . 30300 1 193 . 1 1 14 14 THR CA C 13 62.391 0.30 . 1 . . . . A 14 THR CA . 30300 1 194 . 1 1 14 14 THR CB C 13 69.478 0.30 . 1 . . . . A 14 THR CB . 30300 1 195 . 1 1 14 14 THR CG2 C 13 21.802 0.30 . 1 . . . . A 14 THR CG2 . 30300 1 196 . 1 1 14 14 THR N N 15 122.668 0.30 . 1 . . . . A 14 THR N . 30300 1 197 . 1 1 15 15 LEU H H 1 8.673 0.03 . 1 . . . . A 15 LEU H . 30300 1 198 . 1 1 15 15 LEU HA H 1 4.759 0.03 . 1 . . . . A 15 LEU HA . 30300 1 199 . 1 1 15 15 LEU HB2 H 1 1.347 0.03 . 2 . . . . A 15 LEU HB2 . 30300 1 200 . 1 1 15 15 LEU HB3 H 1 1.191 0.03 . 2 . . . . A 15 LEU HB3 . 30300 1 201 . 1 1 15 15 LEU HG H 1 1.391 0.03 . 1 . . . . A 15 LEU HG . 30300 1 202 . 1 1 15 15 LEU HD11 H 1 0.693 0.03 . 2 . . . . A 15 LEU HD11 . 30300 1 203 . 1 1 15 15 LEU HD12 H 1 0.693 0.03 . 2 . . . . A 15 LEU HD12 . 30300 1 204 . 1 1 15 15 LEU HD13 H 1 0.693 0.03 . 2 . . . . A 15 LEU HD13 . 30300 1 205 . 1 1 15 15 LEU HD21 H 1 0.740 0.03 . 2 . . . . A 15 LEU HD21 . 30300 1 206 . 1 1 15 15 LEU HD22 H 1 0.740 0.03 . 2 . . . . A 15 LEU HD22 . 30300 1 207 . 1 1 15 15 LEU HD23 H 1 0.740 0.03 . 2 . . . . A 15 LEU HD23 . 30300 1 208 . 1 1 15 15 LEU C C 13 174.435 0.30 . 1 . . . . A 15 LEU C . 30300 1 209 . 1 1 15 15 LEU CA C 13 52.929 0.30 . 1 . . . . A 15 LEU CA . 30300 1 210 . 1 1 15 15 LEU CB C 13 46.980 0.30 . 1 . . . . A 15 LEU CB . 30300 1 211 . 1 1 15 15 LEU CG C 13 26.842 0.30 . 1 . . . . A 15 LEU CG . 30300 1 212 . 1 1 15 15 LEU CD1 C 13 27.130 0.30 . 2 . . . . A 15 LEU CD1 . 30300 1 213 . 1 1 15 15 LEU CD2 C 13 23.961 0.30 . 2 . . . . A 15 LEU CD2 . 30300 1 214 . 1 1 15 15 LEU N N 15 125.117 0.30 . 1 . . . . A 15 LEU N . 30300 1 215 . 1 1 16 16 GLU H H 1 8.107 0.03 . 1 . . . . A 16 GLU H . 30300 1 216 . 1 1 16 16 GLU HA H 1 4.877 0.03 . 1 . . . . A 16 GLU HA . 30300 1 217 . 1 1 16 16 GLU HB2 H 1 1.812 0.03 . 2 . . . . A 16 GLU HB2 . 30300 1 218 . 1 1 16 16 GLU HB3 H 1 1.901 0.03 . 2 . . . . A 16 GLU HB3 . 30300 1 219 . 1 1 16 16 GLU HG2 H 1 2.228 0.03 . 2 . . . . A 16 GLU HG2 . 30300 1 220 . 1 1 16 16 GLU HG3 H 1 2.068 0.03 . 2 . . . . A 16 GLU HG3 . 30300 1 221 . 1 1 16 16 GLU C C 13 175.740 0.30 . 1 . . . . A 16 GLU C . 30300 1 222 . 1 1 16 16 GLU CA C 13 55.616 0.30 . 1 . . . . A 16 GLU CA . 30300 1 223 . 1 1 16 16 GLU CB C 13 30.432 0.30 . 1 . . . . A 16 GLU CB . 30300 1 224 . 1 1 16 16 GLU CG C 13 35.259 0.30 . 1 . . . . A 16 GLU CG . 30300 1 225 . 1 1 16 16 GLU N N 15 121.251 0.30 . 1 . . . . A 16 GLU N . 30300 1 226 . 1 1 17 17 VAL H H 1 8.951 0.03 . 1 . . . . A 17 VAL H . 30300 1 227 . 1 1 17 17 VAL HA H 1 4.677 0.03 . 1 . . . . A 17 VAL HA . 30300 1 228 . 1 1 17 17 VAL HB H 1 2.325 0.03 . 1 . . . . A 17 VAL HB . 30300 1 229 . 1 1 17 17 VAL HG11 H 1 0.691 0.03 . 2 . . . . A 17 VAL HG11 . 30300 1 230 . 1 1 17 17 VAL HG12 H 1 0.691 0.03 . 2 . . . . A 17 VAL HG12 . 30300 1 231 . 1 1 17 17 VAL HG13 H 1 0.691 0.03 . 2 . . . . A 17 VAL HG13 . 30300 1 232 . 1 1 17 17 VAL HG21 H 1 0.404 0.03 . 2 . . . . A 17 VAL HG21 . 30300 1 233 . 1 1 17 17 VAL HG22 H 1 0.404 0.03 . 2 . . . . A 17 VAL HG22 . 30300 1 234 . 1 1 17 17 VAL HG23 H 1 0.404 0.03 . 2 . . . . A 17 VAL HG23 . 30300 1 235 . 1 1 17 17 VAL C C 13 173.949 0.30 . 1 . . . . A 17 VAL C . 30300 1 236 . 1 1 17 17 VAL CA C 13 58.656 0.30 . 1 . . . . A 17 VAL CA . 30300 1 237 . 1 1 17 17 VAL CB C 13 36.333 0.30 . 1 . . . . A 17 VAL CB . 30300 1 238 . 1 1 17 17 VAL CG1 C 13 22.150 0.30 . 2 . . . . A 17 VAL CG1 . 30300 1 239 . 1 1 17 17 VAL CG2 C 13 19.581 0.30 . 2 . . . . A 17 VAL CG2 . 30300 1 240 . 1 1 17 17 VAL N N 15 117.620 0.30 . 1 . . . . A 17 VAL N . 30300 1 241 . 1 1 18 18 GLU H H 1 8.669 0.03 . 1 . . . . A 18 GLU H . 30300 1 242 . 1 1 18 18 GLU HA H 1 5.068 0.03 . 1 . . . . A 18 GLU HA . 30300 1 243 . 1 1 18 18 GLU HB2 H 1 1.574 0.03 . 2 . . . . A 18 GLU HB2 . 30300 1 244 . 1 1 18 18 GLU HB3 H 1 2.119 0.03 . 2 . . . . A 18 GLU HB3 . 30300 1 245 . 1 1 18 18 GLU HG2 H 1 2.335 0.03 . 2 . . . . A 18 GLU HG2 . 30300 1 246 . 1 1 18 18 GLU HG3 H 1 2.201 0.03 . 2 . . . . A 18 GLU HG3 . 30300 1 247 . 1 1 18 18 GLU CA C 13 52.976 0.30 . 1 . . . . A 18 GLU CA . 30300 1 248 . 1 1 18 18 GLU CB C 13 30.834 0.30 . 1 . . . . A 18 GLU CB . 30300 1 249 . 1 1 18 18 GLU CG C 13 35.059 0.30 . 1 . . . . A 18 GLU CG . 30300 1 250 . 1 1 18 18 GLU N N 15 119.361 0.30 . 1 . . . . A 18 GLU N . 30300 1 251 . 1 1 19 19 PRO HA H 1 4.108 0.03 . 1 . . . . A 19 PRO HA . 30300 1 252 . 1 1 19 19 PRO HB2 H 1 1.964 0.03 . 2 . . . . A 19 PRO HB2 . 30300 1 253 . 1 1 19 19 PRO HB3 H 1 2.419 0.03 . 2 . . . . A 19 PRO HB3 . 30300 1 254 . 1 1 19 19 PRO HG2 H 1 2.037 0.03 . 2 . . . . A 19 PRO HG2 . 30300 1 255 . 1 1 19 19 PRO HG3 H 1 2.176 0.03 . 2 . . . . A 19 PRO HG3 . 30300 1 256 . 1 1 19 19 PRO HD2 H 1 3.791 0.03 . 2 . . . . A 19 PRO HD2 . 30300 1 257 . 1 1 19 19 PRO HD3 H 1 3.996 0.03 . 2 . . . . A 19 PRO HD3 . 30300 1 258 . 1 1 19 19 PRO C C 13 175.143 0.30 . 1 . . . . A 19 PRO C . 30300 1 259 . 1 1 19 19 PRO CA C 13 65.916 0.30 . 1 . . . . A 19 PRO CA . 30300 1 260 . 1 1 19 19 PRO CB C 13 31.807 0.30 . 1 . . . . A 19 PRO CB . 30300 1 261 . 1 1 19 19 PRO CG C 13 27.990 0.30 . 1 . . . . A 19 PRO CG . 30300 1 262 . 1 1 19 19 PRO CD C 13 50.493 0.30 . 1 . . . . A 19 PRO CD . 30300 1 263 . 1 1 20 20 SER H H 1 7.136 0.03 . 1 . . . . A 20 SER H . 30300 1 264 . 1 1 20 20 SER HA H 1 4.345 0.03 . 1 . . . . A 20 SER HA . 30300 1 265 . 1 1 20 20 SER HB2 H 1 3.772 0.03 . 2 . . . . A 20 SER HB2 . 30300 1 266 . 1 1 20 20 SER HB3 H 1 4.143 0.03 . 2 . . . . A 20 SER HB3 . 30300 1 267 . 1 1 20 20 SER C C 13 174.629 0.30 . 1 . . . . A 20 SER C . 30300 1 268 . 1 1 20 20 SER CA C 13 57.615 0.30 . 1 . . . . A 20 SER CA . 30300 1 269 . 1 1 20 20 SER CB C 13 63.354 0.30 . 1 . . . . A 20 SER CB . 30300 1 270 . 1 1 20 20 SER N N 15 103.771 0.30 . 1 . . . . A 20 SER N . 30300 1 271 . 1 1 21 21 ASP H H 1 8.052 0.03 . 1 . . . . A 21 ASP H . 30300 1 272 . 1 1 21 21 ASP HA H 1 4.664 0.03 . 1 . . . . A 21 ASP HA . 30300 1 273 . 1 1 21 21 ASP HB2 H 1 2.945 0.03 . 2 . . . . A 21 ASP HB2 . 30300 1 274 . 1 1 21 21 ASP HB3 H 1 2.508 0.03 . 2 . . . . A 21 ASP HB3 . 30300 1 275 . 1 1 21 21 ASP C C 13 176.226 0.30 . 1 . . . . A 21 ASP C . 30300 1 276 . 1 1 21 21 ASP CA C 13 56.172 0.30 . 1 . . . . A 21 ASP CA . 30300 1 277 . 1 1 21 21 ASP CB C 13 40.950 0.30 . 1 . . . . A 21 ASP CB . 30300 1 278 . 1 1 21 21 ASP N N 15 123.987 0.30 . 1 . . . . A 21 ASP N . 30300 1 279 . 1 1 22 22 THR H H 1 7.867 0.03 . 1 . . . . A 22 THR H . 30300 1 280 . 1 1 22 22 THR HA H 1 4.904 0.03 . 1 . . . . A 22 THR HA . 30300 1 281 . 1 1 22 22 THR HB H 1 4.802 0.03 . 1 . . . . A 22 THR HB . 30300 1 282 . 1 1 22 22 THR HG21 H 1 1.243 0.03 . 1 . . . . A 22 THR HG21 . 30300 1 283 . 1 1 22 22 THR HG22 H 1 1.243 0.03 . 1 . . . . A 22 THR HG22 . 30300 1 284 . 1 1 22 22 THR HG23 H 1 1.243 0.03 . 1 . . . . A 22 THR HG23 . 30300 1 285 . 1 1 22 22 THR C C 13 177.392 0.30 . 1 . . . . A 22 THR C . 30300 1 286 . 1 1 22 22 THR CA C 13 59.695 0.30 . 1 . . . . A 22 THR CA . 30300 1 287 . 1 1 22 22 THR CB C 13 71.170 0.30 . 1 . . . . A 22 THR CB . 30300 1 288 . 1 1 22 22 THR CG2 C 13 22.152 0.30 . 1 . . . . A 22 THR CG2 . 30300 1 289 . 1 1 22 22 THR N N 15 108.978 0.30 . 1 . . . . A 22 THR N . 30300 1 290 . 1 1 23 23 ILE H H 1 8.544 0.03 . 1 . . . . A 23 ILE H . 30300 1 291 . 1 1 23 23 ILE HA H 1 3.632 0.03 . 1 . . . . A 23 ILE HA . 30300 1 292 . 1 1 23 23 ILE HB H 1 2.526 0.03 . 1 . . . . A 23 ILE HB . 30300 1 293 . 1 1 23 23 ILE HG12 H 1 1.308 0.03 . 2 . . . . A 23 ILE HG12 . 30300 1 294 . 1 1 23 23 ILE HG13 H 1 1.919 0.03 . 2 . . . . A 23 ILE HG13 . 30300 1 295 . 1 1 23 23 ILE HG21 H 1 0.770 0.03 . 1 . . . . A 23 ILE HG21 . 30300 1 296 . 1 1 23 23 ILE HG22 H 1 0.770 0.03 . 1 . . . . A 23 ILE HG22 . 30300 1 297 . 1 1 23 23 ILE HG23 H 1 0.770 0.03 . 1 . . . . A 23 ILE HG23 . 30300 1 298 . 1 1 23 23 ILE HD11 H 1 0.563 0.03 . 1 . . . . A 23 ILE HD11 . 30300 1 299 . 1 1 23 23 ILE HD12 H 1 0.563 0.03 . 1 . . . . A 23 ILE HD12 . 30300 1 300 . 1 1 23 23 ILE HD13 H 1 0.563 0.03 . 1 . . . . A 23 ILE HD13 . 30300 1 301 . 1 1 23 23 ILE CA C 13 62.475 0.30 . 1 . . . . A 23 ILE CA . 30300 1 302 . 1 1 23 23 ILE CB C 13 34.261 0.30 . 1 . . . . A 23 ILE CB . 30300 1 303 . 1 1 23 23 ILE CG1 C 13 27.820 0.30 . 1 . . . . A 23 ILE CG1 . 30300 1 304 . 1 1 23 23 ILE CG2 C 13 18.158 0.30 . 1 . . . . A 23 ILE CG2 . 30300 1 305 . 1 1 23 23 ILE CD1 C 13 9.311 0.30 . 1 . . . . A 23 ILE CD1 . 30300 1 306 . 1 1 23 23 ILE N N 15 121.595 0.30 . 1 . . . . A 23 ILE N . 30300 1 307 . 1 1 24 24 GLU HA H 1 3.866 0.03 . 1 . . . . A 24 GLU HA . 30300 1 308 . 1 1 24 24 GLU HB2 H 1 2.014 0.03 . 2 . . . . A 24 GLU HB2 . 30300 1 309 . 1 1 24 24 GLU HB3 H 1 2.014 0.03 . 2 . . . . A 24 GLU HB3 . 30300 1 310 . 1 1 24 24 GLU HG2 H 1 2.319 0.03 . 2 . . . . A 24 GLU HG2 . 30300 1 311 . 1 1 24 24 GLU HG3 H 1 2.319 0.03 . 2 . . . . A 24 GLU HG3 . 30300 1 312 . 1 1 24 24 GLU C C 13 178.933 0.30 . 1 . . . . A 24 GLU C . 30300 1 313 . 1 1 24 24 GLU CA C 13 60.886 0.30 . 1 . . . . A 24 GLU CA . 30300 1 314 . 1 1 24 24 GLU CB C 13 28.839 0.30 . 1 . . . . A 24 GLU CB . 30300 1 315 . 1 1 24 24 GLU CG C 13 36.175 0.30 . 1 . . . . A 24 GLU CG . 30300 1 316 . 1 1 25 25 ASN H H 1 7.938 0.03 . 1 . . . . A 25 ASN H . 30300 1 317 . 1 1 25 25 ASN HA H 1 4.547 0.03 . 1 . . . . A 25 ASN HA . 30300 1 318 . 1 1 25 25 ASN HB2 H 1 2.845 0.03 . 2 . . . . A 25 ASN HB2 . 30300 1 319 . 1 1 25 25 ASN HB3 H 1 3.220 0.03 . 2 . . . . A 25 ASN HB3 . 30300 1 320 . 1 1 25 25 ASN HD21 H 1 6.927 0.03 . 2 . . . . A 25 ASN HD21 . 30300 1 321 . 1 1 25 25 ASN HD22 H 1 7.866 0.03 . 2 . . . . A 25 ASN HD22 . 30300 1 322 . 1 1 25 25 ASN C C 13 178.267 0.30 . 1 . . . . A 25 ASN C . 30300 1 323 . 1 1 25 25 ASN CA C 13 56.342 0.30 . 1 . . . . A 25 ASN CA . 30300 1 324 . 1 1 25 25 ASN CB C 13 38.401 0.30 . 1 . . . . A 25 ASN CB . 30300 1 325 . 1 1 25 25 ASN N N 15 121.198 0.30 . 1 . . . . A 25 ASN N . 30300 1 326 . 1 1 25 25 ASN ND2 N 15 109.928 0.30 . 1 . . . . A 25 ASN ND2 . 30300 1 327 . 1 1 26 26 VAL H H 1 8.134 0.03 . 1 . . . . A 26 VAL H . 30300 1 328 . 1 1 26 26 VAL HA H 1 3.378 0.03 . 1 . . . . A 26 VAL HA . 30300 1 329 . 1 1 26 26 VAL HB H 1 2.331 0.03 . 1 . . . . A 26 VAL HB . 30300 1 330 . 1 1 26 26 VAL HG11 H 1 0.687 0.03 . 2 . . . . A 26 VAL HG11 . 30300 1 331 . 1 1 26 26 VAL HG12 H 1 0.687 0.03 . 2 . . . . A 26 VAL HG12 . 30300 1 332 . 1 1 26 26 VAL HG13 H 1 0.687 0.03 . 2 . . . . A 26 VAL HG13 . 30300 1 333 . 1 1 26 26 VAL HG21 H 1 0.974 0.03 . 2 . . . . A 26 VAL HG21 . 30300 1 334 . 1 1 26 26 VAL HG22 H 1 0.974 0.03 . 2 . . . . A 26 VAL HG22 . 30300 1 335 . 1 1 26 26 VAL HG23 H 1 0.974 0.03 . 2 . . . . A 26 VAL HG23 . 30300 1 336 . 1 1 26 26 VAL C C 13 177.809 0.30 . 1 . . . . A 26 VAL C . 30300 1 337 . 1 1 26 26 VAL CA C 13 67.734 0.30 . 1 . . . . A 26 VAL CA . 30300 1 338 . 1 1 26 26 VAL CB C 13 30.672 0.30 . 1 . . . . A 26 VAL CB . 30300 1 339 . 1 1 26 26 VAL CG1 C 13 21.563 0.30 . 2 . . . . A 26 VAL CG1 . 30300 1 340 . 1 1 26 26 VAL CG2 C 13 23.702 0.30 . 2 . . . . A 26 VAL CG2 . 30300 1 341 . 1 1 26 26 VAL N N 15 122.268 0.30 . 1 . . . . A 26 VAL N . 30300 1 342 . 1 1 27 27 LYS H H 1 8.520 0.03 . 1 . . . . A 27 LYS H . 30300 1 343 . 1 1 27 27 LYS HA H 1 4.609 0.03 . 1 . . . . A 27 LYS HA . 30300 1 344 . 1 1 27 27 LYS HB2 H 1 1.986 0.03 . 2 . . . . A 27 LYS HB2 . 30300 1 345 . 1 1 27 27 LYS HB3 H 1 1.436 0.03 . 2 . . . . A 27 LYS HB3 . 30300 1 346 . 1 1 27 27 LYS HG2 H 1 1.397 0.03 . 2 . . . . A 27 LYS HG2 . 30300 1 347 . 1 1 27 27 LYS HG3 H 1 1.590 0.03 . 2 . . . . A 27 LYS HG3 . 30300 1 348 . 1 1 27 27 LYS HD2 H 1 1.632 0.03 . 2 . . . . A 27 LYS HD2 . 30300 1 349 . 1 1 27 27 LYS HD3 H 1 1.707 0.03 . 2 . . . . A 27 LYS HD3 . 30300 1 350 . 1 1 27 27 LYS HE2 H 1 2.668 0.03 . 2 . . . . A 27 LYS HE2 . 30300 1 351 . 1 1 27 27 LYS HE3 H 1 2.589 0.03 . 2 . . . . A 27 LYS HE3 . 30300 1 352 . 1 1 27 27 LYS C C 13 180.530 0.30 . 1 . . . . A 27 LYS C . 30300 1 353 . 1 1 27 27 LYS CA C 13 59.437 0.30 . 1 . . . . A 27 LYS CA . 30300 1 354 . 1 1 27 27 LYS CB C 13 33.679 0.30 . 1 . . . . A 27 LYS CB . 30300 1 355 . 1 1 27 27 LYS CG C 13 26.260 0.30 . 1 . . . . A 27 LYS CG . 30300 1 356 . 1 1 27 27 LYS CD C 13 30.418 0.30 . 1 . . . . A 27 LYS CD . 30300 1 357 . 1 1 27 27 LYS CE C 13 42.408 0.30 . 1 . . . . A 27 LYS CE . 30300 1 358 . 1 1 27 27 LYS N N 15 119.100 0.30 . 1 . . . . A 27 LYS N . 30300 1 359 . 1 1 28 28 ALA H H 1 7.998 0.03 . 1 . . . . A 28 ALA H . 30300 1 360 . 1 1 28 28 ALA HA H 1 4.150 0.03 . 1 . . . . A 28 ALA HA . 30300 1 361 . 1 1 28 28 ALA HB1 H 1 1.620 0.03 . 1 . . . . A 28 ALA HB1 . 30300 1 362 . 1 1 28 28 ALA HB2 H 1 1.620 0.03 . 1 . . . . A 28 ALA HB2 . 30300 1 363 . 1 1 28 28 ALA HB3 H 1 1.620 0.03 . 1 . . . . A 28 ALA HB3 . 30300 1 364 . 1 1 28 28 ALA C C 13 180.155 0.30 . 1 . . . . A 28 ALA C . 30300 1 365 . 1 1 28 28 ALA CA C 13 55.384 0.30 . 1 . . . . A 28 ALA CA . 30300 1 366 . 1 1 28 28 ALA CB C 13 17.604 0.30 . 1 . . . . A 28 ALA CB . 30300 1 367 . 1 1 28 28 ALA N N 15 123.543 0.30 . 1 . . . . A 28 ALA N . 30300 1 368 . 1 1 29 29 LYS H H 1 7.911 0.03 . 1 . . . . A 29 LYS H . 30300 1 369 . 1 1 29 29 LYS HA H 1 4.163 0.03 . 1 . . . . A 29 LYS HA . 30300 1 370 . 1 1 29 29 LYS HB2 H 1 1.935 0.03 . 2 . . . . A 29 LYS HB2 . 30300 1 371 . 1 1 29 29 LYS HB3 H 1 2.122 0.03 . 2 . . . . A 29 LYS HB3 . 30300 1 372 . 1 1 29 29 LYS HG2 H 1 1.781 0.03 . 2 . . . . A 29 LYS HG2 . 30300 1 373 . 1 1 29 29 LYS HG3 H 1 1.592 0.03 . 2 . . . . A 29 LYS HG3 . 30300 1 374 . 1 1 29 29 LYS HD2 H 1 1.435 0.03 . 2 . . . . A 29 LYS HD2 . 30300 1 375 . 1 1 29 29 LYS HD3 H 1 1.795 0.03 . 2 . . . . A 29 LYS HD3 . 30300 1 376 . 1 1 29 29 LYS HE2 H 1 2.960 0.03 . 2 . . . . A 29 LYS HE2 . 30300 1 377 . 1 1 29 29 LYS HE3 H 1 3.162 0.03 . 2 . . . . A 29 LYS HE3 . 30300 1 378 . 1 1 29 29 LYS C C 13 180.322 0.30 . 1 . . . . A 29 LYS C . 30300 1 379 . 1 1 29 29 LYS CA C 13 59.842 0.30 . 1 . . . . A 29 LYS CA . 30300 1 380 . 1 1 29 29 LYS CB C 13 33.221 0.30 . 1 . . . . A 29 LYS CB . 30300 1 381 . 1 1 29 29 LYS CG C 13 26.617 0.30 . 1 . . . . A 29 LYS CG . 30300 1 382 . 1 1 29 29 LYS CD C 13 30.299 0.30 . 1 . . . . A 29 LYS CD . 30300 1 383 . 1 1 29 29 LYS CE C 13 42.547 0.30 . 1 . . . . A 29 LYS CE . 30300 1 384 . 1 1 29 29 LYS N N 15 120.498 0.30 . 1 . . . . A 29 LYS N . 30300 1 385 . 1 1 30 30 ILE H H 1 8.277 0.03 . 1 . . . . A 30 ILE H . 30300 1 386 . 1 1 30 30 ILE HA H 1 3.500 0.03 . 1 . . . . A 30 ILE HA . 30300 1 387 . 1 1 30 30 ILE HB H 1 2.364 0.03 . 1 . . . . A 30 ILE HB . 30300 1 388 . 1 1 30 30 ILE HG12 H 1 0.672 0.03 . 2 . . . . A 30 ILE HG12 . 30300 1 389 . 1 1 30 30 ILE HG13 H 1 2.003 0.03 . 2 . . . . A 30 ILE HG13 . 30300 1 390 . 1 1 30 30 ILE HG21 H 1 0.681 0.03 . 1 . . . . A 30 ILE HG21 . 30300 1 391 . 1 1 30 30 ILE HG22 H 1 0.681 0.03 . 1 . . . . A 30 ILE HG22 . 30300 1 392 . 1 1 30 30 ILE HG23 H 1 0.681 0.03 . 1 . . . . A 30 ILE HG23 . 30300 1 393 . 1 1 30 30 ILE HD11 H 1 0.883 0.03 . 1 . . . . A 30 ILE HD11 . 30300 1 394 . 1 1 30 30 ILE HD12 H 1 0.883 0.03 . 1 . . . . A 30 ILE HD12 . 30300 1 395 . 1 1 30 30 ILE HD13 H 1 0.883 0.03 . 1 . . . . A 30 ILE HD13 . 30300 1 396 . 1 1 30 30 ILE C C 13 178.114 0.30 . 1 . . . . A 30 ILE C . 30300 1 397 . 1 1 30 30 ILE CA C 13 66.224 0.30 . 1 . . . . A 30 ILE CA . 30300 1 398 . 1 1 30 30 ILE CB C 13 36.818 0.30 . 1 . . . . A 30 ILE CB . 30300 1 399 . 1 1 30 30 ILE CG1 C 13 31.333 0.30 . 1 . . . . A 30 ILE CG1 . 30300 1 400 . 1 1 30 30 ILE CG2 C 13 17.014 0.30 . 1 . . . . A 30 ILE CG2 . 30300 1 401 . 1 1 30 30 ILE CD1 C 13 14.876 0.30 . 1 . . . . A 30 ILE CD1 . 30300 1 402 . 1 1 30 30 ILE N N 15 121.631 0.30 . 1 . . . . A 30 ILE N . 30300 1 403 . 1 1 31 31 GLN H H 1 8.511 0.03 . 1 . . . . A 31 GLN H . 30300 1 404 . 1 1 31 31 GLN HA H 1 3.826 0.03 . 1 . . . . A 31 GLN HA . 30300 1 405 . 1 1 31 31 GLN HB2 H 1 1.948 0.03 . 2 . . . . A 31 GLN HB2 . 30300 1 406 . 1 1 31 31 GLN HB3 H 1 2.491 0.03 . 2 . . . . A 31 GLN HB3 . 30300 1 407 . 1 1 31 31 GLN HG2 H 1 2.267 0.03 . 2 . . . . A 31 GLN HG2 . 30300 1 408 . 1 1 31 31 GLN HG3 H 1 1.987 0.03 . 2 . . . . A 31 GLN HG3 . 30300 1 409 . 1 1 31 31 GLN HE21 H 1 7.696 0.03 . 2 . . . . A 31 GLN HE21 . 30300 1 410 . 1 1 31 31 GLN HE22 H 1 6.845 0.03 . 2 . . . . A 31 GLN HE22 . 30300 1 411 . 1 1 31 31 GLN C C 13 178.933 0.30 . 1 . . . . A 31 GLN C . 30300 1 412 . 1 1 31 31 GLN CA C 13 60.002 0.30 . 1 . . . . A 31 GLN CA . 30300 1 413 . 1 1 31 31 GLN CB C 13 27.576 0.30 . 1 . . . . A 31 GLN CB . 30300 1 414 . 1 1 31 31 GLN CG C 13 33.992 0.30 . 1 . . . . A 31 GLN CG . 30300 1 415 . 1 1 31 31 GLN N N 15 123.703 0.30 . 1 . . . . A 31 GLN N . 30300 1 416 . 1 1 31 31 GLN NE2 N 15 110.364 0.30 . 1 . . . . A 31 GLN NE2 . 30300 1 417 . 1 1 32 32 ASP H H 1 8.094 0.03 . 1 . . . . A 32 ASP H . 30300 1 418 . 1 1 32 32 ASP HA H 1 4.322 0.03 . 1 . . . . A 32 ASP HA . 30300 1 419 . 1 1 32 32 ASP HB2 H 1 2.735 0.03 . 2 . . . . A 32 ASP HB2 . 30300 1 420 . 1 1 32 32 ASP HB3 H 1 2.831 0.03 . 2 . . . . A 32 ASP HB3 . 30300 1 421 . 1 1 32 32 ASP C C 13 177.337 0.30 . 1 . . . . A 32 ASP C . 30300 1 422 . 1 1 32 32 ASP CA C 13 57.688 0.30 . 1 . . . . A 32 ASP CA . 30300 1 423 . 1 1 32 32 ASP CB C 13 41.033 0.30 . 1 . . . . A 32 ASP CB . 30300 1 424 . 1 1 32 32 ASP N N 15 120.062 0.30 . 1 . . . . A 32 ASP N . 30300 1 425 . 1 1 33 33 LYS H H 1 7.478 0.03 . 1 . . . . A 33 LYS H . 30300 1 426 . 1 1 33 33 LYS HA H 1 4.283 0.03 . 1 . . . . A 33 LYS HA . 30300 1 427 . 1 1 33 33 LYS HB2 H 1 1.853 0.03 . 2 . . . . A 33 LYS HB2 . 30300 1 428 . 1 1 33 33 LYS HB3 H 1 1.991 0.03 . 2 . . . . A 33 LYS HB3 . 30300 1 429 . 1 1 33 33 LYS HG2 H 1 1.592 0.03 . 2 . . . . A 33 LYS HG2 . 30300 1 430 . 1 1 33 33 LYS HG3 H 1 1.592 0.03 . 2 . . . . A 33 LYS HG3 . 30300 1 431 . 1 1 33 33 LYS HD2 H 1 1.700 0.03 . 2 . . . . A 33 LYS HD2 . 30300 1 432 . 1 1 33 33 LYS HD3 H 1 1.700 0.03 . 2 . . . . A 33 LYS HD3 . 30300 1 433 . 1 1 33 33 LYS HE2 H 1 3.160 0.03 . 2 . . . . A 33 LYS HE2 . 30300 1 434 . 1 1 33 33 LYS HE3 H 1 3.160 0.03 . 2 . . . . A 33 LYS HE3 . 30300 1 435 . 1 1 33 33 LYS C C 13 177.837 0.30 . 1 . . . . A 33 LYS C . 30300 1 436 . 1 1 33 33 LYS CA C 13 58.495 0.30 . 1 . . . . A 33 LYS CA . 30300 1 437 . 1 1 33 33 LYS CB C 13 34.103 0.30 . 1 . . . . A 33 LYS CB . 30300 1 438 . 1 1 33 33 LYS CG C 13 25.314 0.30 . 1 . . . . A 33 LYS CG . 30300 1 439 . 1 1 33 33 LYS CD C 13 28.989 0.30 . 1 . . . . A 33 LYS CD . 30300 1 440 . 1 1 33 33 LYS CE C 13 42.249 0.30 . 1 . . . . A 33 LYS CE . 30300 1 441 . 1 1 33 33 LYS N N 15 115.726 0.30 . 1 . . . . A 33 LYS N . 30300 1 442 . 1 1 34 34 GLU H H 1 8.689 0.03 . 1 . . . . A 34 GLU H . 30300 1 443 . 1 1 34 34 GLU HA H 1 4.558 0.03 . 1 . . . . A 34 GLU HA . 30300 1 444 . 1 1 34 34 GLU HB2 H 1 1.676 0.03 . 2 . . . . A 34 GLU HB2 . 30300 1 445 . 1 1 34 34 GLU HB3 H 1 2.271 0.03 . 2 . . . . A 34 GLU HB3 . 30300 1 446 . 1 1 34 34 GLU HG2 H 1 2.174 0.03 . 2 . . . . A 34 GLU HG2 . 30300 1 447 . 1 1 34 34 GLU HG3 H 1 2.056 0.03 . 2 . . . . A 34 GLU HG3 . 30300 1 448 . 1 1 34 34 GLU C C 13 177.837 0.30 . 1 . . . . A 34 GLU C . 30300 1 449 . 1 1 34 34 GLU CA C 13 55.379 0.30 . 1 . . . . A 34 GLU CA . 30300 1 450 . 1 1 34 34 GLU CB C 13 33.062 0.30 . 1 . . . . A 34 GLU CB . 30300 1 451 . 1 1 34 34 GLU CG C 13 36.279 0.30 . 1 . . . . A 34 GLU CG . 30300 1 452 . 1 1 34 34 GLU N N 15 114.029 0.30 . 1 . . . . A 34 GLU N . 30300 1 453 . 1 1 35 35 GLY H H 1 8.493 0.03 . 1 . . . . A 35 GLY H . 30300 1 454 . 1 1 35 35 GLY HA2 H 1 4.123 0.03 . 2 . . . . A 35 GLY HA2 . 30300 1 455 . 1 1 35 35 GLY HA3 H 1 3.909 0.03 . 2 . . . . A 35 GLY HA3 . 30300 1 456 . 1 1 35 35 GLY C C 13 173.921 0.30 . 1 . . . . A 35 GLY C . 30300 1 457 . 1 1 35 35 GLY CA C 13 45.164 0.30 . 1 . . . . A 35 GLY CA . 30300 1 458 . 1 1 35 35 GLY N N 15 108.537 0.30 . 1 . . . . A 35 GLY N . 30300 1 459 . 1 1 36 36 ILE H H 1 6.149 0.03 . 1 . . . . A 36 ILE H . 30300 1 460 . 1 1 36 36 ILE HA H 1 4.376 0.03 . 1 . . . . A 36 ILE HA . 30300 1 461 . 1 1 36 36 ILE HB H 1 1.391 0.03 . 1 . . . . A 36 ILE HB . 30300 1 462 . 1 1 36 36 ILE HG12 H 1 1.365 0.03 . 2 . . . . A 36 ILE HG12 . 30300 1 463 . 1 1 36 36 ILE HG13 H 1 1.075 0.03 . 2 . . . . A 36 ILE HG13 . 30300 1 464 . 1 1 36 36 ILE HG21 H 1 0.934 0.03 . 1 . . . . A 36 ILE HG21 . 30300 1 465 . 1 1 36 36 ILE HG22 H 1 0.934 0.03 . 1 . . . . A 36 ILE HG22 . 30300 1 466 . 1 1 36 36 ILE HG23 H 1 0.934 0.03 . 1 . . . . A 36 ILE HG23 . 30300 1 467 . 1 1 36 36 ILE HD11 H 1 0.774 0.03 . 1 . . . . A 36 ILE HD11 . 30300 1 468 . 1 1 36 36 ILE HD12 H 1 0.774 0.03 . 1 . . . . A 36 ILE HD12 . 30300 1 469 . 1 1 36 36 ILE HD13 H 1 0.774 0.03 . 1 . . . . A 36 ILE HD13 . 30300 1 470 . 1 1 36 36 ILE CA C 13 57.934 0.30 . 1 . . . . A 36 ILE CA . 30300 1 471 . 1 1 36 36 ILE CB C 13 40.403 0.30 . 1 . . . . A 36 ILE CB . 30300 1 472 . 1 1 36 36 ILE CG1 C 13 26.887 0.30 . 1 . . . . A 36 ILE CG1 . 30300 1 473 . 1 1 36 36 ILE CG2 C 13 18.058 0.30 . 1 . . . . A 36 ILE CG2 . 30300 1 474 . 1 1 36 36 ILE CD1 C 13 13.645 0.30 . 1 . . . . A 36 ILE CD1 . 30300 1 475 . 1 1 36 36 ILE N N 15 120.334 0.30 . 1 . . . . A 36 ILE N . 30300 1 476 . 1 1 37 37 PRO HA H 1 4.601 0.03 . 1 . . . . A 37 PRO HA . 30300 1 477 . 1 1 37 37 PRO HB2 H 1 1.940 0.03 . 2 . . . . A 37 PRO HB2 . 30300 1 478 . 1 1 37 37 PRO HB3 H 1 2.409 0.03 . 2 . . . . A 37 PRO HB3 . 30300 1 479 . 1 1 37 37 PRO HG2 H 1 2.022 0.03 . 2 . . . . A 37 PRO HG2 . 30300 1 480 . 1 1 37 37 PRO HG3 H 1 2.096 0.03 . 2 . . . . A 37 PRO HG3 . 30300 1 481 . 1 1 37 37 PRO HD2 H 1 3.552 0.03 . 2 . . . . A 37 PRO HD2 . 30300 1 482 . 1 1 37 37 PRO HD3 H 1 4.207 0.03 . 2 . . . . A 37 PRO HD3 . 30300 1 483 . 1 1 37 37 PRO CA C 13 61.368 0.30 . 1 . . . . A 37 PRO CA . 30300 1 484 . 1 1 37 37 PRO CB C 13 31.852 0.30 . 1 . . . . A 37 PRO CB . 30300 1 485 . 1 1 37 37 PRO CG C 13 28.177 0.30 . 1 . . . . A 37 PRO CG . 30300 1 486 . 1 1 37 37 PRO CD C 13 51.064 0.30 . 1 . . . . A 37 PRO CD . 30300 1 487 . 1 1 38 38 PRO HA H 1 4.120 0.03 . 1 . . . . A 38 PRO HA . 30300 1 488 . 1 1 38 38 PRO HB2 H 1 2.028 0.03 . 2 . . . . A 38 PRO HB2 . 30300 1 489 . 1 1 38 38 PRO HB3 H 1 2.213 0.03 . 2 . . . . A 38 PRO HB3 . 30300 1 490 . 1 1 38 38 PRO HG2 H 1 1.604 0.03 . 2 . . . . A 38 PRO HG2 . 30300 1 491 . 1 1 38 38 PRO HG3 H 1 2.172 0.03 . 2 . . . . A 38 PRO HG3 . 30300 1 492 . 1 1 38 38 PRO HD2 H 1 3.745 0.03 . 2 . . . . A 38 PRO HD2 . 30300 1 493 . 1 1 38 38 PRO HD3 H 1 3.745 0.03 . 2 . . . . A 38 PRO HD3 . 30300 1 494 . 1 1 38 38 PRO C C 13 178.350 0.30 . 1 . . . . A 38 PRO C . 30300 1 495 . 1 1 38 38 PRO CA C 13 66.061 0.30 . 1 . . . . A 38 PRO CA . 30300 1 496 . 1 1 38 38 PRO CB C 13 32.911 0.30 . 1 . . . . A 38 PRO CB . 30300 1 497 . 1 1 38 38 PRO CG C 13 27.777 0.30 . 1 . . . . A 38 PRO CG . 30300 1 498 . 1 1 38 38 PRO CD C 13 51.177 0.30 . 1 . . . . A 38 PRO CD . 30300 1 499 . 1 1 39 39 ASP H H 1 8.561 0.03 . 1 . . . . A 39 ASP H . 30300 1 500 . 1 1 39 39 ASP HA H 1 4.390 0.03 . 1 . . . . A 39 ASP HA . 30300 1 501 . 1 1 39 39 ASP HB2 H 1 2.663 0.03 . 2 . . . . A 39 ASP HB2 . 30300 1 502 . 1 1 39 39 ASP HB3 H 1 2.767 0.03 . 2 . . . . A 39 ASP HB3 . 30300 1 503 . 1 1 39 39 ASP C C 13 177.045 0.30 . 1 . . . . A 39 ASP C . 30300 1 504 . 1 1 39 39 ASP CA C 13 55.943 0.30 . 1 . . . . A 39 ASP CA . 30300 1 505 . 1 1 39 39 ASP CB C 13 39.761 0.30 . 1 . . . . A 39 ASP CB . 30300 1 506 . 1 1 39 39 ASP N N 15 113.756 0.30 . 1 . . . . A 39 ASP N . 30300 1 507 . 1 1 40 40 GLN H H 1 7.794 0.03 . 1 . . . . A 40 GLN H . 30300 1 508 . 1 1 40 40 GLN HA H 1 4.404 0.03 . 1 . . . . A 40 GLN HA . 30300 1 509 . 1 1 40 40 GLN HB2 H 1 1.858 0.03 . 2 . . . . A 40 GLN HB2 . 30300 1 510 . 1 1 40 40 GLN HB3 H 1 2.465 0.03 . 2 . . . . A 40 GLN HB3 . 30300 1 511 . 1 1 40 40 GLN HG2 H 1 2.412 0.03 . 2 . . . . A 40 GLN HG2 . 30300 1 512 . 1 1 40 40 GLN HG3 H 1 2.412 0.03 . 2 . . . . A 40 GLN HG3 . 30300 1 513 . 1 1 40 40 GLN HE21 H 1 7.771 0.03 . 2 . . . . A 40 GLN HE21 . 30300 1 514 . 1 1 40 40 GLN HE22 H 1 6.776 0.03 . 2 . . . . A 40 GLN HE22 . 30300 1 515 . 1 1 40 40 GLN C C 13 175.310 0.30 . 1 . . . . A 40 GLN C . 30300 1 516 . 1 1 40 40 GLN CA C 13 55.696 0.30 . 1 . . . . A 40 GLN CA . 30300 1 517 . 1 1 40 40 GLN CB C 13 30.196 0.30 . 1 . . . . A 40 GLN CB . 30300 1 518 . 1 1 40 40 GLN CG C 13 34.414 0.30 . 1 . . . . A 40 GLN CG . 30300 1 519 . 1 1 40 40 GLN N N 15 116.733 0.30 . 1 . . . . A 40 GLN N . 30300 1 520 . 1 1 40 40 GLN NE2 N 15 112.158 0.30 . 1 . . . . A 40 GLN NE2 . 30300 1 521 . 1 1 41 41 GLN H H 1 7.488 0.03 . 1 . . . . A 41 GLN H . 30300 1 522 . 1 1 41 41 GLN HA H 1 4.070 0.03 . 1 . . . . A 41 GLN HA . 30300 1 523 . 1 1 41 41 GLN HB2 H 1 1.874 0.03 . 2 . . . . A 41 GLN HB2 . 30300 1 524 . 1 1 41 41 GLN HB3 H 1 1.874 0.03 . 2 . . . . A 41 GLN HB3 . 30300 1 525 . 1 1 41 41 GLN HG2 H 1 1.685 0.03 . 2 . . . . A 41 GLN HG2 . 30300 1 526 . 1 1 41 41 GLN HG3 H 1 2.535 0.03 . 2 . . . . A 41 GLN HG3 . 30300 1 527 . 1 1 41 41 GLN HE21 H 1 6.059 0.03 . 2 . . . . A 41 GLN HE21 . 30300 1 528 . 1 1 41 41 GLN HE22 H 1 6.541 0.03 . 2 . . . . A 41 GLN HE22 . 30300 1 529 . 1 1 41 41 GLN C C 13 175.796 0.30 . 1 . . . . A 41 GLN C . 30300 1 530 . 1 1 41 41 GLN CA C 13 56.895 0.30 . 1 . . . . A 41 GLN CA . 30300 1 531 . 1 1 41 41 GLN CB C 13 31.396 0.30 . 1 . . . . A 41 GLN CB . 30300 1 532 . 1 1 41 41 GLN CG C 13 33.569 0.30 . 1 . . . . A 41 GLN CG . 30300 1 533 . 1 1 41 41 GLN N N 15 117.864 0.30 . 1 . . . . A 41 GLN N . 30300 1 534 . 1 1 41 41 GLN NE2 N 15 104.440 0.30 . 1 . . . . A 41 GLN NE2 . 30300 1 535 . 1 1 42 42 ARG H H 1 8.973 0.03 . 1 . . . . A 42 ARG H . 30300 1 536 . 1 1 42 42 ARG HA H 1 4.504 0.03 . 1 . . . . A 42 ARG HA . 30300 1 537 . 1 1 42 42 ARG HB2 H 1 1.602 0.03 . 2 . . . . A 42 ARG HB2 . 30300 1 538 . 1 1 42 42 ARG HB3 H 1 1.921 0.03 . 2 . . . . A 42 ARG HB3 . 30300 1 539 . 1 1 42 42 ARG HG2 H 1 1.514 0.03 . 2 . . . . A 42 ARG HG2 . 30300 1 540 . 1 1 42 42 ARG HG3 H 1 1.514 0.03 . 2 . . . . A 42 ARG HG3 . 30300 1 541 . 1 1 42 42 ARG HD2 H 1 3.033 0.03 . 2 . . . . A 42 ARG HD2 . 30300 1 542 . 1 1 42 42 ARG HD3 H 1 2.959 0.03 . 2 . . . . A 42 ARG HD3 . 30300 1 543 . 1 1 42 42 ARG HE H 1 6.729 0.03 . 1 . . . . A 42 ARG HE . 30300 1 544 . 1 1 42 42 ARG C C 13 174.185 0.30 . 1 . . . . A 42 ARG C . 30300 1 545 . 1 1 42 42 ARG CA C 13 54.904 0.30 . 1 . . . . A 42 ARG CA . 30300 1 546 . 1 1 42 42 ARG CB C 13 30.672 0.30 . 1 . . . . A 42 ARG CB . 30300 1 547 . 1 1 42 42 ARG CG C 13 26.085 0.30 . 1 . . . . A 42 ARG CG . 30300 1 548 . 1 1 42 42 ARG CD C 13 44.350 0.30 . 1 . . . . A 42 ARG CD . 30300 1 549 . 1 1 42 42 ARG N N 15 123.178 0.30 . 1 . . . . A 42 ARG N . 30300 1 550 . 1 1 42 42 ARG NE N 15 82.093 0.30 . 1 . . . . A 42 ARG NE . 30300 1 551 . 1 1 43 43 LEU H H 1 8.512 0.03 . 1 . . . . A 43 LEU H . 30300 1 552 . 1 1 43 43 LEU HA H 1 5.382 0.03 . 1 . . . . A 43 LEU HA . 30300 1 553 . 1 1 43 43 LEU HB2 H 1 1.541 0.03 . 2 . . . . A 43 LEU HB2 . 30300 1 554 . 1 1 43 43 LEU HB3 H 1 1.146 0.03 . 2 . . . . A 43 LEU HB3 . 30300 1 555 . 1 1 43 43 LEU HG H 1 1.490 0.03 . 1 . . . . A 43 LEU HG . 30300 1 556 . 1 1 43 43 LEU HD11 H 1 0.793 0.03 . 2 . . . . A 43 LEU HD11 . 30300 1 557 . 1 1 43 43 LEU HD12 H 1 0.793 0.03 . 2 . . . . A 43 LEU HD12 . 30300 1 558 . 1 1 43 43 LEU HD13 H 1 0.793 0.03 . 2 . . . . A 43 LEU HD13 . 30300 1 559 . 1 1 43 43 LEU HD21 H 1 0.800 0.03 . 2 . . . . A 43 LEU HD21 . 30300 1 560 . 1 1 43 43 LEU HD22 H 1 0.800 0.03 . 2 . . . . A 43 LEU HD22 . 30300 1 561 . 1 1 43 43 LEU HD23 H 1 0.800 0.03 . 2 . . . . A 43 LEU HD23 . 30300 1 562 . 1 1 43 43 LEU C C 13 175.332 0.30 . 1 . . . . A 43 LEU C . 30300 1 563 . 1 1 43 43 LEU CA C 13 52.905 0.30 . 1 . . . . A 43 LEU CA . 30300 1 564 . 1 1 43 43 LEU CB C 13 45.572 0.30 . 1 . . . . A 43 LEU CB . 30300 1 565 . 1 1 43 43 LEU CG C 13 27.345 0.30 . 1 . . . . A 43 LEU CG . 30300 1 566 . 1 1 43 43 LEU CD1 C 13 26.593 0.30 . 2 . . . . A 43 LEU CD1 . 30300 1 567 . 1 1 43 43 LEU CD2 C 13 24.164 0.30 . 2 . . . . A 43 LEU CD2 . 30300 1 568 . 1 1 43 43 LEU N N 15 122.254 0.30 . 1 . . . . A 43 LEU N . 30300 1 569 . 1 1 44 44 ILE H H 1 9.218 0.03 . 1 . . . . A 44 ILE H . 30300 1 570 . 1 1 44 44 ILE HA H 1 4.996 0.03 . 1 . . . . A 44 ILE HA . 30300 1 571 . 1 1 44 44 ILE HB H 1 1.747 0.03 . 1 . . . . A 44 ILE HB . 30300 1 572 . 1 1 44 44 ILE HG12 H 1 0.981 0.03 . 2 . . . . A 44 ILE HG12 . 30300 1 573 . 1 1 44 44 ILE HG13 H 1 1.352 0.03 . 2 . . . . A 44 ILE HG13 . 30300 1 574 . 1 1 44 44 ILE HG21 H 1 0.711 0.03 . 1 . . . . A 44 ILE HG21 . 30300 1 575 . 1 1 44 44 ILE HG22 H 1 0.711 0.03 . 1 . . . . A 44 ILE HG22 . 30300 1 576 . 1 1 44 44 ILE HG23 H 1 0.711 0.03 . 1 . . . . A 44 ILE HG23 . 30300 1 577 . 1 1 44 44 ILE HD11 H 1 0.673 0.03 . 1 . . . . A 44 ILE HD11 . 30300 1 578 . 1 1 44 44 ILE HD12 H 1 0.673 0.03 . 1 . . . . A 44 ILE HD12 . 30300 1 579 . 1 1 44 44 ILE HD13 H 1 0.673 0.03 . 1 . . . . A 44 ILE HD13 . 30300 1 580 . 1 1 44 44 ILE C C 13 175.324 0.30 . 1 . . . . A 44 ILE C . 30300 1 581 . 1 1 44 44 ILE CA C 13 59.127 0.30 . 1 . . . . A 44 ILE CA . 30300 1 582 . 1 1 44 44 ILE CB C 13 41.354 0.30 . 1 . . . . A 44 ILE CB . 30300 1 583 . 1 1 44 44 ILE CG1 C 13 28.312 0.30 . 1 . . . . A 44 ILE CG1 . 30300 1 584 . 1 1 44 44 ILE CG2 C 13 17.746 0.30 . 1 . . . . A 44 ILE CG2 . 30300 1 585 . 1 1 44 44 ILE CD1 C 13 13.604 0.30 . 1 . . . . A 44 ILE CD1 . 30300 1 586 . 1 1 44 44 ILE N N 15 123.069 0.30 . 1 . . . . A 44 ILE N . 30300 1 587 . 1 1 45 45 PHE H H 1 8.814 0.03 . 1 . . . . A 45 PHE H . 30300 1 588 . 1 1 45 45 PHE HA H 1 5.221 0.03 . 1 . . . . A 45 PHE HA . 30300 1 589 . 1 1 45 45 PHE HB2 H 1 2.768 0.03 . 2 . . . . A 45 PHE HB2 . 30300 1 590 . 1 1 45 45 PHE HB3 H 1 3.095 0.03 . 2 . . . . A 45 PHE HB3 . 30300 1 591 . 1 1 45 45 PHE HD1 H 1 7.361 0.03 . 3 . . . . A 45 PHE HD1 . 30300 1 592 . 1 1 45 45 PHE HD2 H 1 7.361 0.03 . 3 . . . . A 45 PHE HD2 . 30300 1 593 . 1 1 45 45 PHE HE1 H 1 7.524 0.03 . 3 . . . . A 45 PHE HE1 . 30300 1 594 . 1 1 45 45 PHE HE2 H 1 7.524 0.03 . 3 . . . . A 45 PHE HE2 . 30300 1 595 . 1 1 45 45 PHE HZ H 1 7.465 0.03 . 1 . . . . A 45 PHE HZ . 30300 1 596 . 1 1 45 45 PHE C C 13 174.310 0.30 . 1 . . . . A 45 PHE C . 30300 1 597 . 1 1 45 45 PHE CA C 13 56.892 0.30 . 1 . . . . A 45 PHE CA . 30300 1 598 . 1 1 45 45 PHE CB C 13 43.904 0.30 . 1 . . . . A 45 PHE CB . 30300 1 599 . 1 1 45 45 PHE CD1 C 13 132.252 0.30 . 3 . . . . A 45 PHE CD1 . 30300 1 600 . 1 1 45 45 PHE CD2 C 13 132.252 0.30 . 3 . . . . A 45 PHE CD2 . 30300 1 601 . 1 1 45 45 PHE CE1 C 13 132.251 0.30 . 3 . . . . A 45 PHE CE1 . 30300 1 602 . 1 1 45 45 PHE CE2 C 13 132.251 0.30 . 3 . . . . A 45 PHE CE2 . 30300 1 603 . 1 1 45 45 PHE CZ C 13 130.108 0.30 . 1 . . . . A 45 PHE CZ . 30300 1 604 . 1 1 45 45 PHE N N 15 124.936 0.30 . 1 . . . . A 45 PHE N . 30300 1 605 . 1 1 46 46 ALA H H 1 8.783 0.03 . 1 . . . . A 46 ALA H . 30300 1 606 . 1 1 46 46 ALA HA H 1 3.735 0.03 . 1 . . . . A 46 ALA HA . 30300 1 607 . 1 1 46 46 ALA HB1 H 1 0.888 0.03 . 1 . . . . A 46 ALA HB1 . 30300 1 608 . 1 1 46 46 ALA HB2 H 1 0.888 0.03 . 1 . . . . A 46 ALA HB2 . 30300 1 609 . 1 1 46 46 ALA HB3 H 1 0.888 0.03 . 1 . . . . A 46 ALA HB3 . 30300 1 610 . 1 1 46 46 ALA C C 13 177.420 0.30 . 1 . . . . A 46 ALA C . 30300 1 611 . 1 1 46 46 ALA CA C 13 52.449 0.30 . 1 . . . . A 46 ALA CA . 30300 1 612 . 1 1 46 46 ALA CB C 13 16.643 0.30 . 1 . . . . A 46 ALA CB . 30300 1 613 . 1 1 46 46 ALA N N 15 132.399 0.30 . 1 . . . . A 46 ALA N . 30300 1 614 . 1 1 47 47 GLY H H 1 8.415 0.03 . 1 . . . . A 47 GLY H . 30300 1 615 . 1 1 47 47 GLY HA2 H 1 4.151 0.03 . 2 . . . . A 47 GLY HA2 . 30300 1 616 . 1 1 47 47 GLY HA3 H 1 3.334 0.03 . 2 . . . . A 47 GLY HA3 . 30300 1 617 . 1 1 47 47 GLY C C 13 173.491 0.30 . 1 . . . . A 47 GLY C . 30300 1 618 . 1 1 47 47 GLY CA C 13 45.580 0.30 . 1 . . . . A 47 GLY CA . 30300 1 619 . 1 1 47 47 GLY N N 15 102.583 0.30 . 1 . . . . A 47 GLY N . 30300 1 620 . 1 1 48 48 LYS H H 1 7.994 0.03 . 1 . . . . A 48 LYS H . 30300 1 621 . 1 1 48 48 LYS HA H 1 4.632 0.03 . 1 . . . . A 48 LYS HA . 30300 1 622 . 1 1 48 48 LYS HB2 H 1 1.884 0.03 . 2 . . . . A 48 LYS HB2 . 30300 1 623 . 1 1 48 48 LYS HB3 H 1 1.884 0.03 . 2 . . . . A 48 LYS HB3 . 30300 1 624 . 1 1 48 48 LYS HG2 H 1 1.501 0.03 . 2 . . . . A 48 LYS HG2 . 30300 1 625 . 1 1 48 48 LYS HG3 H 1 1.501 0.03 . 2 . . . . A 48 LYS HG3 . 30300 1 626 . 1 1 48 48 LYS HD2 H 1 1.870 0.03 . 2 . . . . A 48 LYS HD2 . 30300 1 627 . 1 1 48 48 LYS HD3 H 1 1.870 0.03 . 2 . . . . A 48 LYS HD3 . 30300 1 628 . 1 1 48 48 LYS HE2 H 1 3.165 0.03 . 2 . . . . A 48 LYS HE2 . 30300 1 629 . 1 1 48 48 LYS HE3 H 1 3.165 0.03 . 2 . . . . A 48 LYS HE3 . 30300 1 630 . 1 1 48 48 LYS C C 13 174.574 0.30 . 1 . . . . A 48 LYS C . 30300 1 631 . 1 1 48 48 LYS CA C 13 54.741 0.30 . 1 . . . . A 48 LYS CA . 30300 1 632 . 1 1 48 48 LYS CB C 13 35.026 0.30 . 1 . . . . A 48 LYS CB . 30300 1 633 . 1 1 48 48 LYS CG C 13 24.257 0.30 . 1 . . . . A 48 LYS CG . 30300 1 634 . 1 1 48 48 LYS CD C 13 29.130 0.30 . 1 . . . . A 48 LYS CD . 30300 1 635 . 1 1 48 48 LYS CE C 13 42.227 0.30 . 1 . . . . A 48 LYS CE . 30300 1 636 . 1 1 48 48 LYS N N 15 120.814 0.30 . 1 . . . . A 48 LYS N . 30300 1 637 . 1 1 49 49 GLN H H 1 8.758 0.03 . 1 . . . . A 49 GLN H . 30300 1 638 . 1 1 49 49 GLN HA H 1 4.594 0.03 . 1 . . . . A 49 GLN HA . 30300 1 639 . 1 1 49 49 GLN HB2 H 1 1.923 0.03 . 2 . . . . A 49 GLN HB2 . 30300 1 640 . 1 1 49 49 GLN HB3 H 1 2.009 0.03 . 2 . . . . A 49 GLN HB3 . 30300 1 641 . 1 1 49 49 GLN HG2 H 1 2.199 0.03 . 2 . . . . A 49 GLN HG2 . 30300 1 642 . 1 1 49 49 GLN HG3 H 1 2.199 0.03 . 2 . . . . A 49 GLN HG3 . 30300 1 643 . 1 1 49 49 GLN HE21 H 1 6.963 0.03 . 2 . . . . A 49 GLN HE21 . 30300 1 644 . 1 1 49 49 GLN HE22 H 1 7.674 0.03 . 2 . . . . A 49 GLN HE22 . 30300 1 645 . 1 1 49 49 GLN C C 13 175.643 0.30 . 1 . . . . A 49 GLN C . 30300 1 646 . 1 1 49 49 GLN CA C 13 56.312 0.30 . 1 . . . . A 49 GLN CA . 30300 1 647 . 1 1 49 49 GLN CB C 13 29.248 0.30 . 1 . . . . A 49 GLN CB . 30300 1 648 . 1 1 49 49 GLN CG C 13 35.029 0.30 . 1 . . . . A 49 GLN CG . 30300 1 649 . 1 1 49 49 GLN N N 15 122.317 0.30 . 1 . . . . A 49 GLN N . 30300 1 650 . 1 1 49 49 GLN NE2 N 15 112.559 0.30 . 1 . . . . A 49 GLN NE2 . 30300 1 651 . 1 1 50 50 LEU H H 1 8.634 0.03 . 1 . . . . A 50 LEU H . 30300 1 652 . 1 1 50 50 LEU HA H 1 4.061 0.03 . 1 . . . . A 50 LEU HA . 30300 1 653 . 1 1 50 50 LEU HB2 H 1 1.044 0.03 . 2 . . . . A 50 LEU HB2 . 30300 1 654 . 1 1 50 50 LEU HB3 H 1 1.447 0.03 . 2 . . . . A 50 LEU HB3 . 30300 1 655 . 1 1 50 50 LEU HG H 1 1.478 0.03 . 1 . . . . A 50 LEU HG . 30300 1 656 . 1 1 50 50 LEU HD11 H 1 -0.182 0.03 . 2 . . . . A 50 LEU HD11 . 30300 1 657 . 1 1 50 50 LEU HD12 H 1 -0.182 0.03 . 2 . . . . A 50 LEU HD12 . 30300 1 658 . 1 1 50 50 LEU HD13 H 1 -0.182 0.03 . 2 . . . . A 50 LEU HD13 . 30300 1 659 . 1 1 50 50 LEU HD21 H 1 0.504 0.03 . 2 . . . . A 50 LEU HD21 . 30300 1 660 . 1 1 50 50 LEU HD22 H 1 0.504 0.03 . 2 . . . . A 50 LEU HD22 . 30300 1 661 . 1 1 50 50 LEU HD23 H 1 0.504 0.03 . 2 . . . . A 50 LEU HD23 . 30300 1 662 . 1 1 50 50 LEU C C 13 176.726 0.30 . 1 . . . . A 50 LEU C . 30300 1 663 . 1 1 50 50 LEU CA C 13 54.422 0.30 . 1 . . . . A 50 LEU CA . 30300 1 664 . 1 1 50 50 LEU CB C 13 41.753 0.30 . 1 . . . . A 50 LEU CB . 30300 1 665 . 1 1 50 50 LEU CG C 13 25.796 0.30 . 1 . . . . A 50 LEU CG . 30300 1 666 . 1 1 50 50 LEU CD1 C 13 19.252 0.30 . 2 . . . . A 50 LEU CD1 . 30300 1 667 . 1 1 50 50 LEU CD2 C 13 25.787 0.30 . 2 . . . . A 50 LEU CD2 . 30300 1 668 . 1 1 50 50 LEU N N 15 125.542 0.30 . 1 . . . . A 50 LEU N . 30300 1 669 . 1 1 51 51 GLU H H 1 8.438 0.03 . 1 . . . . A 51 GLU H . 30300 1 670 . 1 1 51 51 GLU HA H 1 4.485 0.03 . 1 . . . . A 51 GLU HA . 30300 1 671 . 1 1 51 51 GLU HB2 H 1 1.867 0.03 . 2 . . . . A 51 GLU HB2 . 30300 1 672 . 1 1 51 51 GLU HB3 H 1 2.220 0.03 . 2 . . . . A 51 GLU HB3 . 30300 1 673 . 1 1 51 51 GLU HG2 H 1 2.322 0.03 . 2 . . . . A 51 GLU HG2 . 30300 1 674 . 1 1 51 51 GLU HG3 H 1 2.415 0.03 . 2 . . . . A 51 GLU HG3 . 30300 1 675 . 1 1 51 51 GLU C C 13 175.490 0.30 . 1 . . . . A 51 GLU C . 30300 1 676 . 1 1 51 51 GLU CA C 13 55.175 0.30 . 1 . . . . A 51 GLU CA . 30300 1 677 . 1 1 51 51 GLU CB C 13 32.033 0.30 . 1 . . . . A 51 GLU CB . 30300 1 678 . 1 1 51 51 GLU CG C 13 36.646 0.30 . 1 . . . . A 51 GLU CG . 30300 1 679 . 1 1 51 51 GLU N N 15 123.109 0.30 . 1 . . . . A 51 GLU N . 30300 1 680 . 1 1 52 52 ASP H H 1 8.174 0.03 . 1 . . . . A 52 ASP H . 30300 1 681 . 1 1 52 52 ASP HA H 1 4.379 0.03 . 1 . . . . A 52 ASP HA . 30300 1 682 . 1 1 52 52 ASP HB2 H 1 2.503 0.03 . 2 . . . . A 52 ASP HB2 . 30300 1 683 . 1 1 52 52 ASP HB3 H 1 2.608 0.03 . 2 . . . . A 52 ASP HB3 . 30300 1 684 . 1 1 52 52 ASP CA C 13 56.893 0.30 . 1 . . . . A 52 ASP CA . 30300 1 685 . 1 1 52 52 ASP CB C 13 40.879 0.30 . 1 . . . . A 52 ASP CB . 30300 1 686 . 1 1 52 52 ASP N N 15 120.620 0.30 . 1 . . . . A 52 ASP N . 30300 1 687 . 1 1 53 53 GLY HA2 H 1 4.083 0.03 . 2 . . . . A 53 GLY HA2 . 30300 1 688 . 1 1 53 53 GLY HA3 H 1 3.938 0.03 . 2 . . . . A 53 GLY HA3 . 30300 1 689 . 1 1 53 53 GLY C C 13 174.754 0.30 . 1 . . . . A 53 GLY C . 30300 1 690 . 1 1 53 53 GLY CA C 13 45.259 0.30 . 1 . . . . A 53 GLY CA . 30300 1 691 . 1 1 54 54 ARG H H 1 7.418 0.03 . 1 . . . . A 54 ARG H . 30300 1 692 . 1 1 54 54 ARG HA H 1 4.693 0.03 . 1 . . . . A 54 ARG HA . 30300 1 693 . 1 1 54 54 ARG HB2 H 1 2.016 0.03 . 2 . . . . A 54 ARG HB2 . 30300 1 694 . 1 1 54 54 ARG HB3 H 1 2.196 0.03 . 2 . . . . A 54 ARG HB3 . 30300 1 695 . 1 1 54 54 ARG HG2 H 1 1.601 0.03 . 2 . . . . A 54 ARG HG2 . 30300 1 696 . 1 1 54 54 ARG HG3 H 1 1.796 0.03 . 2 . . . . A 54 ARG HG3 . 30300 1 697 . 1 1 54 54 ARG HD2 H 1 3.048 0.03 . 2 . . . . A 54 ARG HD2 . 30300 1 698 . 1 1 54 54 ARG HD3 H 1 3.121 0.03 . 2 . . . . A 54 ARG HD3 . 30300 1 699 . 1 1 54 54 ARG C C 13 175.254 0.30 . 1 . . . . A 54 ARG C . 30300 1 700 . 1 1 54 54 ARG CA C 13 54.587 0.30 . 1 . . . . A 54 ARG CA . 30300 1 701 . 1 1 54 54 ARG CB C 13 32.662 0.30 . 1 . . . . A 54 ARG CB . 30300 1 702 . 1 1 54 54 ARG CG C 13 27.430 0.30 . 1 . . . . A 54 ARG CG . 30300 1 703 . 1 1 54 54 ARG CD C 13 42.959 0.30 . 1 . . . . A 54 ARG CD . 30300 1 704 . 1 1 54 54 ARG N N 15 119.355 0.30 . 1 . . . . A 54 ARG N . 30300 1 705 . 1 1 55 55 THR H H 1 8.816 0.03 . 1 . . . . A 55 THR H . 30300 1 706 . 1 1 55 55 THR HA H 1 5.201 0.03 . 1 . . . . A 55 THR HA . 30300 1 707 . 1 1 55 55 THR HB H 1 4.534 0.03 . 1 . . . . A 55 THR HB . 30300 1 708 . 1 1 55 55 THR HG21 H 1 1.119 0.03 . 1 . . . . A 55 THR HG21 . 30300 1 709 . 1 1 55 55 THR HG22 H 1 1.119 0.03 . 1 . . . . A 55 THR HG22 . 30300 1 710 . 1 1 55 55 THR HG23 H 1 1.119 0.03 . 1 . . . . A 55 THR HG23 . 30300 1 711 . 1 1 55 55 THR C C 13 176.407 0.30 . 1 . . . . A 55 THR C . 30300 1 712 . 1 1 55 55 THR CA C 13 59.769 0.30 . 1 . . . . A 55 THR CA . 30300 1 713 . 1 1 55 55 THR CB C 13 72.414 0.30 . 1 . . . . A 55 THR CB . 30300 1 714 . 1 1 55 55 THR CG2 C 13 22.306 0.30 . 1 . . . . A 55 THR CG2 . 30300 1 715 . 1 1 55 55 THR N N 15 108.799 0.30 . 1 . . . . A 55 THR N . 30300 1 716 . 1 1 56 56 LEU H H 1 8.159 0.03 . 1 . . . . A 56 LEU H . 30300 1 717 . 1 1 56 56 LEU HA H 1 4.048 0.03 . 1 . . . . A 56 LEU HA . 30300 1 718 . 1 1 56 56 LEU HB2 H 1 1.193 0.03 . 2 . . . . A 56 LEU HB2 . 30300 1 719 . 1 1 56 56 LEU HB3 H 1 2.095 0.03 . 2 . . . . A 56 LEU HB3 . 30300 1 720 . 1 1 56 56 LEU HG H 1 1.723 0.03 . 1 . . . . A 56 LEU HG . 30300 1 721 . 1 1 56 56 LEU HD11 H 1 0.739 0.03 . 2 . . . . A 56 LEU HD11 . 30300 1 722 . 1 1 56 56 LEU HD12 H 1 0.739 0.03 . 2 . . . . A 56 LEU HD12 . 30300 1 723 . 1 1 56 56 LEU HD13 H 1 0.739 0.03 . 2 . . . . A 56 LEU HD13 . 30300 1 724 . 1 1 56 56 LEU HD21 H 1 0.605 0.03 . 2 . . . . A 56 LEU HD21 . 30300 1 725 . 1 1 56 56 LEU HD22 H 1 0.605 0.03 . 2 . . . . A 56 LEU HD22 . 30300 1 726 . 1 1 56 56 LEU HD23 H 1 0.605 0.03 . 2 . . . . A 56 LEU HD23 . 30300 1 727 . 1 1 56 56 LEU C C 13 180.752 0.30 . 1 . . . . A 56 LEU C . 30300 1 728 . 1 1 56 56 LEU CA C 13 58.892 0.30 . 1 . . . . A 56 LEU CA . 30300 1 729 . 1 1 56 56 LEU CB C 13 40.244 0.30 . 1 . . . . A 56 LEU CB . 30300 1 730 . 1 1 56 56 LEU CG C 13 26.569 0.30 . 1 . . . . A 56 LEU CG . 30300 1 731 . 1 1 56 56 LEU CD1 C 13 26.766 0.30 . 2 . . . . A 56 LEU CD1 . 30300 1 732 . 1 1 56 56 LEU CD2 C 13 23.125 0.30 . 2 . . . . A 56 LEU CD2 . 30300 1 733 . 1 1 56 56 LEU N N 15 118.085 0.30 . 1 . . . . A 56 LEU N . 30300 1 734 . 1 1 57 57 SER H H 1 8.338 0.03 . 1 . . . . A 57 SER H . 30300 1 735 . 1 1 57 57 SER HA H 1 4.230 0.03 . 1 . . . . A 57 SER HA . 30300 1 736 . 1 1 57 57 SER HB2 H 1 3.742 0.03 . 2 . . . . A 57 SER HB2 . 30300 1 737 . 1 1 57 57 SER HB3 H 1 3.835 0.03 . 2 . . . . A 57 SER HB3 . 30300 1 738 . 1 1 57 57 SER C C 13 178.281 0.30 . 1 . . . . A 57 SER C . 30300 1 739 . 1 1 57 57 SER CA C 13 61.049 0.30 . 1 . . . . A 57 SER CA . 30300 1 740 . 1 1 57 57 SER CB C 13 62.550 0.30 . 1 . . . . A 57 SER CB . 30300 1 741 . 1 1 57 57 SER N N 15 113.262 0.30 . 1 . . . . A 57 SER N . 30300 1 742 . 1 1 58 58 ASP H H 1 7.961 0.03 . 1 . . . . A 58 ASP H . 30300 1 743 . 1 1 58 58 ASP HA H 1 4.271 0.03 . 1 . . . . A 58 ASP HA . 30300 1 744 . 1 1 58 58 ASP HB2 H 1 2.270 0.03 . 2 . . . . A 58 ASP HB2 . 30300 1 745 . 1 1 58 58 ASP HB3 H 1 2.999 0.03 . 2 . . . . A 58 ASP HB3 . 30300 1 746 . 1 1 58 58 ASP C C 13 177.462 0.30 . 1 . . . . A 58 ASP C . 30300 1 747 . 1 1 58 58 ASP CA C 13 57.377 0.30 . 1 . . . . A 58 ASP CA . 30300 1 748 . 1 1 58 58 ASP CB C 13 40.396 0.30 . 1 . . . . A 58 ASP CB . 30300 1 749 . 1 1 58 58 ASP N N 15 124.699 0.30 . 1 . . . . A 58 ASP N . 30300 1 750 . 1 1 59 59 TYR H H 1 7.237 0.03 . 1 . . . . A 59 TYR H . 30300 1 751 . 1 1 59 59 TYR HA H 1 4.677 0.03 . 1 . . . . A 59 TYR HA . 30300 1 752 . 1 1 59 59 TYR HB2 H 1 3.492 0.03 . 2 . . . . A 59 TYR HB2 . 30300 1 753 . 1 1 59 59 TYR HB3 H 1 2.535 0.03 . 2 . . . . A 59 TYR HB3 . 30300 1 754 . 1 1 59 59 TYR HD1 H 1 7.243 0.03 . 3 . . . . A 59 TYR HD1 . 30300 1 755 . 1 1 59 59 TYR HD2 H 1 7.243 0.03 . 3 . . . . A 59 TYR HD2 . 30300 1 756 . 1 1 59 59 TYR HE1 H 1 6.872 0.03 . 3 . . . . A 59 TYR HE1 . 30300 1 757 . 1 1 59 59 TYR HE2 H 1 6.872 0.03 . 3 . . . . A 59 TYR HE2 . 30300 1 758 . 1 1 59 59 TYR C C 13 174.643 0.30 . 1 . . . . A 59 TYR C . 30300 1 759 . 1 1 59 59 TYR CA C 13 58.251 0.30 . 1 . . . . A 59 TYR CA . 30300 1 760 . 1 1 59 59 TYR CB C 13 40.243 0.30 . 1 . . . . A 59 TYR CB . 30300 1 761 . 1 1 59 59 TYR CD1 C 13 133.624 0.30 . 3 . . . . A 59 TYR CD1 . 30300 1 762 . 1 1 59 59 TYR CD2 C 13 133.672 0.30 . 3 . . . . A 59 TYR CD2 . 30300 1 763 . 1 1 59 59 TYR CE1 C 13 118.587 0.30 . 3 . . . . A 59 TYR CE1 . 30300 1 764 . 1 1 59 59 TYR CE2 C 13 118.587 0.30 . 3 . . . . A 59 TYR CE2 . 30300 1 765 . 1 1 59 59 TYR N N 15 115.800 0.30 . 1 . . . . A 59 TYR N . 30300 1 766 . 1 1 60 60 ASN H H 1 8.154 0.03 . 1 . . . . A 60 ASN H . 30300 1 767 . 1 1 60 60 ASN HA H 1 4.348 0.03 . 1 . . . . A 60 ASN HA . 30300 1 768 . 1 1 60 60 ASN HB2 H 1 2.811 0.03 . 2 . . . . A 60 ASN HB2 . 30300 1 769 . 1 1 60 60 ASN HB3 H 1 3.327 0.03 . 2 . . . . A 60 ASN HB3 . 30300 1 770 . 1 1 60 60 ASN HD21 H 1 7.597 0.03 . 2 . . . . A 60 ASN HD21 . 30300 1 771 . 1 1 60 60 ASN HD22 H 1 6.853 0.03 . 2 . . . . A 60 ASN HD22 . 30300 1 772 . 1 1 60 60 ASN C C 13 174.185 0.30 . 1 . . . . A 60 ASN C . 30300 1 773 . 1 1 60 60 ASN CA C 13 54.259 0.30 . 1 . . . . A 60 ASN CA . 30300 1 774 . 1 1 60 60 ASN CB C 13 37.208 0.30 . 1 . . . . A 60 ASN CB . 30300 1 775 . 1 1 60 60 ASN N N 15 115.958 0.30 . 1 . . . . A 60 ASN N . 30300 1 776 . 1 1 60 60 ASN ND2 N 15 111.670 0.30 . 1 . . . . A 60 ASN ND2 . 30300 1 777 . 1 1 61 61 ILE H H 1 7.314 0.03 . 1 . . . . A 61 ILE H . 30300 1 778 . 1 1 61 61 ILE HA H 1 3.342 0.03 . 1 . . . . A 61 ILE HA . 30300 1 779 . 1 1 61 61 ILE HB H 1 1.364 0.03 . 1 . . . . A 61 ILE HB . 30300 1 780 . 1 1 61 61 ILE HG12 H 1 1.092 0.03 . 2 . . . . A 61 ILE HG12 . 30300 1 781 . 1 1 61 61 ILE HG13 H 1 -0.590 0.03 . 2 . . . . A 61 ILE HG13 . 30300 1 782 . 1 1 61 61 ILE HG21 H 1 0.449 0.03 . 1 . . . . A 61 ILE HG21 . 30300 1 783 . 1 1 61 61 ILE HG22 H 1 0.449 0.03 . 1 . . . . A 61 ILE HG22 . 30300 1 784 . 1 1 61 61 ILE HG23 H 1 0.449 0.03 . 1 . . . . A 61 ILE HG23 . 30300 1 785 . 1 1 61 61 ILE HD11 H 1 0.437 0.03 . 1 . . . . A 61 ILE HD11 . 30300 1 786 . 1 1 61 61 ILE HD12 H 1 0.437 0.03 . 1 . . . . A 61 ILE HD12 . 30300 1 787 . 1 1 61 61 ILE HD13 H 1 0.437 0.03 . 1 . . . . A 61 ILE HD13 . 30300 1 788 . 1 1 61 61 ILE C C 13 174.352 0.30 . 1 . . . . A 61 ILE C . 30300 1 789 . 1 1 61 61 ILE CA C 13 62.637 0.30 . 1 . . . . A 61 ILE CA . 30300 1 790 . 1 1 61 61 ILE CB C 13 36.891 0.30 . 1 . . . . A 61 ILE CB . 30300 1 791 . 1 1 61 61 ILE CG1 C 13 28.430 0.30 . 1 . . . . A 61 ILE CG1 . 30300 1 792 . 1 1 61 61 ILE CG2 C 13 17.426 0.30 . 1 . . . . A 61 ILE CG2 . 30300 1 793 . 1 1 61 61 ILE CD1 C 13 14.838 0.30 . 1 . . . . A 61 ILE CD1 . 30300 1 794 . 1 1 61 61 ILE N N 15 119.184 0.30 . 1 . . . . A 61 ILE N . 30300 1 795 . 1 1 62 62 GLN H H 1 7.607 0.03 . 1 . . . . A 62 GLN H . 30300 1 796 . 1 1 62 62 GLN HA H 1 4.470 0.03 . 1 . . . . A 62 GLN HA . 30300 1 797 . 1 1 62 62 GLN HB2 H 1 1.883 0.03 . 2 . . . . A 62 GLN HB2 . 30300 1 798 . 1 1 62 62 GLN HB3 H 1 1.883 0.03 . 2 . . . . A 62 GLN HB3 . 30300 1 799 . 1 1 62 62 GLN HG2 H 1 2.272 0.03 . 2 . . . . A 62 GLN HG2 . 30300 1 800 . 1 1 62 62 GLN HG3 H 1 2.338 0.03 . 2 . . . . A 62 GLN HG3 . 30300 1 801 . 1 1 62 62 GLN HE21 H 1 7.334 0.03 . 2 . . . . A 62 GLN HE21 . 30300 1 802 . 1 1 62 62 GLN HE22 H 1 6.850 0.03 . 2 . . . . A 62 GLN HE22 . 30300 1 803 . 1 1 62 62 GLN C C 13 175.449 0.30 . 1 . . . . A 62 GLN C . 30300 1 804 . 1 1 62 62 GLN CA C 13 53.624 0.30 . 1 . . . . A 62 GLN CA . 30300 1 805 . 1 1 62 62 GLN CB C 13 31.713 0.30 . 1 . . . . A 62 GLN CB . 30300 1 806 . 1 1 62 62 GLN CG C 13 33.315 0.30 . 1 . . . . A 62 GLN CG . 30300 1 807 . 1 1 62 62 GLN N N 15 124.983 0.30 . 1 . . . . A 62 GLN N . 30300 1 808 . 1 1 62 62 GLN NE2 N 15 112.419 0.30 . 1 . . . . A 62 GLN NE2 . 30300 1 809 . 1 1 63 63 LYS H H 1 8.462 0.03 . 1 . . . . A 63 LYS H . 30300 1 810 . 1 1 63 63 LYS HA H 1 3.938 0.03 . 1 . . . . A 63 LYS HA . 30300 1 811 . 1 1 63 63 LYS HB2 H 1 2.020 0.03 . 2 . . . . A 63 LYS HB2 . 30300 1 812 . 1 1 63 63 LYS HB3 H 1 1.870 0.03 . 2 . . . . A 63 LYS HB3 . 30300 1 813 . 1 1 63 63 LYS HG2 H 1 1.482 0.03 . 2 . . . . A 63 LYS HG2 . 30300 1 814 . 1 1 63 63 LYS HG3 H 1 1.482 0.03 . 2 . . . . A 63 LYS HG3 . 30300 1 815 . 1 1 63 63 LYS HD2 H 1 1.608 0.03 . 2 . . . . A 63 LYS HD2 . 30300 1 816 . 1 1 63 63 LYS HD3 H 1 1.708 0.03 . 2 . . . . A 63 LYS HD3 . 30300 1 817 . 1 1 63 63 LYS HE2 H 1 3.019 0.03 . 2 . . . . A 63 LYS HE2 . 30300 1 818 . 1 1 63 63 LYS HE3 H 1 3.019 0.03 . 2 . . . . A 63 LYS HE3 . 30300 1 819 . 1 1 63 63 LYS C C 13 175.823 0.30 . 1 . . . . A 63 LYS C . 30300 1 820 . 1 1 63 63 LYS CA C 13 58.096 0.30 . 1 . . . . A 63 LYS CA . 30300 1 821 . 1 1 63 63 LYS CB C 13 32.753 0.30 . 1 . . . . A 63 LYS CB . 30300 1 822 . 1 1 63 63 LYS CG C 13 23.930 0.30 . 1 . . . . A 63 LYS CG . 30300 1 823 . 1 1 63 63 LYS CD C 13 29.810 0.30 . 1 . . . . A 63 LYS CD . 30300 1 824 . 1 1 63 63 LYS CE C 13 42.059 0.30 . 1 . . . . A 63 LYS CE . 30300 1 825 . 1 1 63 63 LYS N N 15 120.619 0.30 . 1 . . . . A 63 LYS N . 30300 1 826 . 1 1 64 64 GLU H H 1 9.316 0.03 . 1 . . . . A 64 GLU H . 30300 1 827 . 1 1 64 64 GLU HA H 1 3.336 0.03 . 1 . . . . A 64 GLU HA . 30300 1 828 . 1 1 64 64 GLU HB2 H 1 2.396 0.03 . 2 . . . . A 64 GLU HB2 . 30300 1 829 . 1 1 64 64 GLU HB3 H 1 2.530 0.03 . 2 . . . . A 64 GLU HB3 . 30300 1 830 . 1 1 64 64 GLU HG2 H 1 2.242 0.03 . 2 . . . . A 64 GLU HG2 . 30300 1 831 . 1 1 64 64 GLU HG3 H 1 2.242 0.03 . 2 . . . . A 64 GLU HG3 . 30300 1 832 . 1 1 64 64 GLU C C 13 175.157 0.30 . 1 . . . . A 64 GLU C . 30300 1 833 . 1 1 64 64 GLU CA C 13 58.168 0.30 . 1 . . . . A 64 GLU CA . 30300 1 834 . 1 1 64 64 GLU CB C 13 25.976 0.30 . 1 . . . . A 64 GLU CB . 30300 1 835 . 1 1 64 64 GLU CG C 13 37.389 0.30 . 1 . . . . A 64 GLU CG . 30300 1 836 . 1 1 64 64 GLU N N 15 114.975 0.30 . 1 . . . . A 64 GLU N . 30300 1 837 . 1 1 65 65 SER H H 1 7.699 0.03 . 1 . . . . A 65 SER H . 30300 1 838 . 1 1 65 65 SER HA H 1 4.612 0.03 . 1 . . . . A 65 SER HA . 30300 1 839 . 1 1 65 65 SER HB2 H 1 3.628 0.03 . 2 . . . . A 65 SER HB2 . 30300 1 840 . 1 1 65 65 SER HB3 H 1 3.904 0.03 . 2 . . . . A 65 SER HB3 . 30300 1 841 . 1 1 65 65 SER HG H 1 6.000 0.03 . 1 . . . . A 65 SER HG . 30300 1 842 . 1 1 65 65 SER C C 13 171.867 0.30 . 1 . . . . A 65 SER C . 30300 1 843 . 1 1 65 65 SER CA C 13 61.125 0.30 . 1 . . . . A 65 SER CA . 30300 1 844 . 1 1 65 65 SER CB C 13 65.022 0.30 . 1 . . . . A 65 SER CB . 30300 1 845 . 1 1 65 65 SER N N 15 115.120 0.30 . 1 . . . . A 65 SER N . 30300 1 846 . 1 1 66 66 THR H H 1 8.676 0.03 . 1 . . . . A 66 THR H . 30300 1 847 . 1 1 66 66 THR HA H 1 5.320 0.03 . 1 . . . . A 66 THR HA . 30300 1 848 . 1 1 66 66 THR HB H 1 4.011 0.03 . 1 . . . . A 66 THR HB . 30300 1 849 . 1 1 66 66 THR HG21 H 1 0.915 0.03 . 1 . . . . A 66 THR HG21 . 30300 1 850 . 1 1 66 66 THR HG22 H 1 0.915 0.03 . 1 . . . . A 66 THR HG22 . 30300 1 851 . 1 1 66 66 THR HG23 H 1 0.915 0.03 . 1 . . . . A 66 THR HG23 . 30300 1 852 . 1 1 66 66 THR C C 13 173.602 0.30 . 1 . . . . A 66 THR C . 30300 1 853 . 1 1 66 66 THR CA C 13 62.552 0.30 . 1 . . . . A 66 THR CA . 30300 1 854 . 1 1 66 66 THR CB C 13 70.292 0.30 . 1 . . . . A 66 THR CB . 30300 1 855 . 1 1 66 66 THR CG2 C 13 21.525 0.30 . 1 . . . . A 66 THR CG2 . 30300 1 856 . 1 1 66 66 THR N N 15 117.479 0.30 . 1 . . . . A 66 THR N . 30300 1 857 . 1 1 67 67 LEU H H 1 9.385 0.03 . 1 . . . . A 67 LEU H . 30300 1 858 . 1 1 67 67 LEU HA H 1 5.085 0.03 . 1 . . . . A 67 LEU HA . 30300 1 859 . 1 1 67 67 LEU HB2 H 1 1.569 0.03 . 2 . . . . A 67 LEU HB2 . 30300 1 860 . 1 1 67 67 LEU HB3 H 1 1.694 0.03 . 2 . . . . A 67 LEU HB3 . 30300 1 861 . 1 1 67 67 LEU HG H 1 1.780 0.03 . 1 . . . . A 67 LEU HG . 30300 1 862 . 1 1 67 67 LEU HD11 H 1 0.675 0.03 . 2 . . . . A 67 LEU HD11 . 30300 1 863 . 1 1 67 67 LEU HD12 H 1 0.675 0.03 . 2 . . . . A 67 LEU HD12 . 30300 1 864 . 1 1 67 67 LEU HD13 H 1 0.675 0.03 . 2 . . . . A 67 LEU HD13 . 30300 1 865 . 1 1 67 67 LEU HD21 H 1 0.628 0.03 . 2 . . . . A 67 LEU HD21 . 30300 1 866 . 1 1 67 67 LEU HD22 H 1 0.628 0.03 . 2 . . . . A 67 LEU HD22 . 30300 1 867 . 1 1 67 67 LEU HD23 H 1 0.628 0.03 . 2 . . . . A 67 LEU HD23 . 30300 1 868 . 1 1 67 67 LEU C C 13 174.990 0.30 . 1 . . . . A 67 LEU C . 30300 1 869 . 1 1 67 67 LEU CA C 13 54.023 0.30 . 1 . . . . A 67 LEU CA . 30300 1 870 . 1 1 67 67 LEU CB C 13 44.627 0.30 . 1 . . . . A 67 LEU CB . 30300 1 871 . 1 1 67 67 LEU CG C 13 29.750 0.30 . 1 . . . . A 67 LEU CG . 30300 1 872 . 1 1 67 67 LEU CD1 C 13 24.792 0.30 . 2 . . . . A 67 LEU CD1 . 30300 1 873 . 1 1 67 67 LEU CD2 C 13 25.775 0.30 . 2 . . . . A 67 LEU CD2 . 30300 1 874 . 1 1 67 67 LEU N N 15 128.183 0.30 . 1 . . . . A 67 LEU N . 30300 1 875 . 1 1 68 68 HIS H H 1 9.138 0.03 . 1 . . . . A 68 HIS H . 30300 1 876 . 1 1 68 68 HIS HA H 1 5.258 0.03 . 1 . . . . A 68 HIS HA . 30300 1 877 . 1 1 68 68 HIS HB2 H 1 2.648 0.03 . 2 . . . . A 68 HIS HB2 . 30300 1 878 . 1 1 68 68 HIS HB3 H 1 2.827 0.03 . 2 . . . . A 68 HIS HB3 . 30300 1 879 . 1 1 68 68 HIS HD2 H 1 6.683 0.03 . 1 . . . . A 68 HIS HD2 . 30300 1 880 . 1 1 68 68 HIS HE1 H 1 7.616 0.03 . 1 . . . . A 68 HIS HE1 . 30300 1 881 . 1 1 68 68 HIS C C 13 174.019 0.30 . 1 . . . . A 68 HIS C . 30300 1 882 . 1 1 68 68 HIS CA C 13 56.332 0.30 . 1 . . . . A 68 HIS CA . 30300 1 883 . 1 1 68 68 HIS CB C 13 32.496 0.30 . 1 . . . . A 68 HIS CB . 30300 1 884 . 1 1 68 68 HIS CD2 C 13 116.825 0.30 . 1 . . . . A 68 HIS CD2 . 30300 1 885 . 1 1 68 68 HIS CE1 C 13 138.680 0.30 . 1 . . . . A 68 HIS CE1 . 30300 1 886 . 1 1 68 68 HIS N N 15 118.761 0.30 . 1 . . . . A 68 HIS N . 30300 1 887 . 1 1 69 69 LEU H H 1 8.768 0.03 . 1 . . . . A 69 LEU H . 30300 1 888 . 1 1 69 69 LEU HA H 1 5.245 0.03 . 1 . . . . A 69 LEU HA . 30300 1 889 . 1 1 69 69 LEU HB2 H 1 1.550 0.03 . 2 . . . . A 69 LEU HB2 . 30300 1 890 . 1 1 69 69 LEU HB3 H 1 1.061 0.03 . 2 . . . . A 69 LEU HB3 . 30300 1 891 . 1 1 69 69 LEU HG H 1 1.308 0.03 . 1 . . . . A 69 LEU HG . 30300 1 892 . 1 1 69 69 LEU HD11 H 1 0.715 0.03 . 2 . . . . A 69 LEU HD11 . 30300 1 893 . 1 1 69 69 LEU HD12 H 1 0.715 0.03 . 2 . . . . A 69 LEU HD12 . 30300 1 894 . 1 1 69 69 LEU HD13 H 1 0.715 0.03 . 2 . . . . A 69 LEU HD13 . 30300 1 895 . 1 1 69 69 LEU HD21 H 1 0.830 0.03 . 2 . . . . A 69 LEU HD21 . 30300 1 896 . 1 1 69 69 LEU HD22 H 1 0.830 0.03 . 2 . . . . A 69 LEU HD22 . 30300 1 897 . 1 1 69 69 LEU HD23 H 1 0.830 0.03 . 2 . . . . A 69 LEU HD23 . 30300 1 898 . 1 1 69 69 LEU C C 13 175.032 0.30 . 1 . . . . A 69 LEU C . 30300 1 899 . 1 1 69 69 LEU CA C 13 52.981 0.30 . 1 . . . . A 69 LEU CA . 30300 1 900 . 1 1 69 69 LEU CB C 13 45.653 0.30 . 1 . . . . A 69 LEU CB . 30300 1 901 . 1 1 69 69 LEU CG C 13 27.805 0.30 . 1 . . . . A 69 LEU CG . 30300 1 902 . 1 1 69 69 LEU CD1 C 13 26.187 0.30 . 2 . . . . A 69 LEU CD1 . 30300 1 903 . 1 1 69 69 LEU CD2 C 13 23.539 0.30 . 2 . . . . A 69 LEU CD2 . 30300 1 904 . 1 1 69 69 LEU N N 15 123.707 0.30 . 1 . . . . A 69 LEU N . 30300 1 905 . 1 1 70 70 VAL H H 1 9.014 0.03 . 1 . . . . A 70 VAL H . 30300 1 906 . 1 1 70 70 VAL HA H 1 4.291 0.03 . 1 . . . . A 70 VAL HA . 30300 1 907 . 1 1 70 70 VAL HB H 1 1.903 0.03 . 1 . . . . A 70 VAL HB . 30300 1 908 . 1 1 70 70 VAL HG11 H 1 0.970 0.03 . 2 . . . . A 70 VAL HG11 . 30300 1 909 . 1 1 70 70 VAL HG12 H 1 0.970 0.03 . 2 . . . . A 70 VAL HG12 . 30300 1 910 . 1 1 70 70 VAL HG13 H 1 0.970 0.03 . 2 . . . . A 70 VAL HG13 . 30300 1 911 . 1 1 70 70 VAL HG21 H 1 0.856 0.03 . 2 . . . . A 70 VAL HG21 . 30300 1 912 . 1 1 70 70 VAL HG22 H 1 0.856 0.03 . 2 . . . . A 70 VAL HG22 . 30300 1 913 . 1 1 70 70 VAL HG23 H 1 0.856 0.03 . 2 . . . . A 70 VAL HG23 . 30300 1 914 . 1 1 70 70 VAL C C 13 173.921 0.30 . 1 . . . . A 70 VAL C . 30300 1 915 . 1 1 70 70 VAL CA C 13 60.365 0.30 . 1 . . . . A 70 VAL CA . 30300 1 916 . 1 1 70 70 VAL CB C 13 34.726 0.30 . 1 . . . . A 70 VAL CB . 30300 1 917 . 1 1 70 70 VAL CG1 C 13 22.192 0.30 . 2 . . . . A 70 VAL CG1 . 30300 1 918 . 1 1 70 70 VAL CG2 C 13 22.055 0.30 . 2 . . . . A 70 VAL CG2 . 30300 1 919 . 1 1 70 70 VAL N N 15 126.568 0.30 . 1 . . . . A 70 VAL N . 30300 1 920 . 1 1 71 71 LEU H H 1 8.373 0.03 . 1 . . . . A 71 LEU H . 30300 1 921 . 1 1 71 71 LEU HA H 1 5.085 0.03 . 1 . . . . A 71 LEU HA . 30300 1 922 . 1 1 71 71 LEU HB2 H 1 1.536 0.03 . 2 . . . . A 71 LEU HB2 . 30300 1 923 . 1 1 71 71 LEU HB3 H 1 1.763 0.03 . 2 . . . . A 71 LEU HB3 . 30300 1 924 . 1 1 71 71 LEU HG H 1 1.708 0.03 . 1 . . . . A 71 LEU HG . 30300 1 925 . 1 1 71 71 LEU HD11 H 1 0.978 0.03 . 2 . . . . A 71 LEU HD11 . 30300 1 926 . 1 1 71 71 LEU HD12 H 1 0.978 0.03 . 2 . . . . A 71 LEU HD12 . 30300 1 927 . 1 1 71 71 LEU HD13 H 1 0.978 0.03 . 2 . . . . A 71 LEU HD13 . 30300 1 928 . 1 1 71 71 LEU HD21 H 1 0.843 0.03 . 2 . . . . A 71 LEU HD21 . 30300 1 929 . 1 1 71 71 LEU HD22 H 1 0.843 0.03 . 2 . . . . A 71 LEU HD22 . 30300 1 930 . 1 1 71 71 LEU HD23 H 1 0.843 0.03 . 2 . . . . A 71 LEU HD23 . 30300 1 931 . 1 1 71 71 LEU C C 13 177.906 0.30 . 1 . . . . A 71 LEU C . 30300 1 932 . 1 1 71 71 LEU CA C 13 54.149 0.30 . 1 . . . . A 71 LEU CA . 30300 1 933 . 1 1 71 71 LEU CB C 13 42.418 0.30 . 1 . . . . A 71 LEU CB . 30300 1 934 . 1 1 71 71 LEU CG C 13 27.811 0.30 . 1 . . . . A 71 LEU CG . 30300 1 935 . 1 1 71 71 LEU CD1 C 13 25.156 0.30 . 2 . . . . A 71 LEU CD1 . 30300 1 936 . 1 1 71 71 LEU CD2 C 13 24.094 0.30 . 2 . . . . A 71 LEU CD2 . 30300 1 937 . 1 1 71 71 LEU N N 15 125.141 0.30 . 1 . . . . A 71 LEU N . 30300 1 938 . 1 1 72 72 ARG HA H 1 4.312 0.03 . 1 . . . . A 72 ARG HA . 30300 1 939 . 1 1 72 72 ARG HB2 H 1 1.795 0.03 . 2 . . . . A 72 ARG HB2 . 30300 1 940 . 1 1 72 72 ARG HB3 H 1 1.876 0.03 . 2 . . . . A 72 ARG HB3 . 30300 1 941 . 1 1 72 72 ARG HG2 H 1 1.626 0.03 . 2 . . . . A 72 ARG HG2 . 30300 1 942 . 1 1 72 72 ARG HG3 H 1 1.626 0.03 . 2 . . . . A 72 ARG HG3 . 30300 1 943 . 1 1 72 72 ARG HD2 H 1 3.182 0.03 . 2 . . . . A 72 ARG HD2 . 30300 1 944 . 1 1 72 72 ARG HD3 H 1 3.182 0.03 . 2 . . . . A 72 ARG HD3 . 30300 1 945 . 1 1 72 72 ARG C C 13 175.560 0.30 . 1 . . . . A 72 ARG C . 30300 1 946 . 1 1 72 72 ARG CA C 13 56.412 0.30 . 1 . . . . A 72 ARG CA . 30300 1 947 . 1 1 72 72 ARG CB C 13 31.474 0.30 . 1 . . . . A 72 ARG CB . 30300 1 948 . 1 1 72 72 ARG CG C 13 27.109 0.30 . 1 . . . . A 72 ARG CG . 30300 1 949 . 1 1 72 72 ARG CD C 13 43.309 0.30 . 1 . . . . A 72 ARG CD . 30300 1 950 . 1 1 73 73 LEU H H 1 8.426 0.03 . 1 . . . . A 73 LEU H . 30300 1 951 . 1 1 73 73 LEU HA H 1 4.344 0.03 . 1 . . . . A 73 LEU HA . 30300 1 952 . 1 1 73 73 LEU HB2 H 1 1.538 0.03 . 2 . . . . A 73 LEU HB2 . 30300 1 953 . 1 1 73 73 LEU HB3 H 1 1.634 0.03 . 2 . . . . A 73 LEU HB3 . 30300 1 954 . 1 1 73 73 LEU HG H 1 1.621 0.03 . 1 . . . . A 73 LEU HG . 30300 1 955 . 1 1 73 73 LEU HD11 H 1 0.867 0.03 . 2 . . . . A 73 LEU HD11 . 30300 1 956 . 1 1 73 73 LEU HD12 H 1 0.867 0.03 . 2 . . . . A 73 LEU HD12 . 30300 1 957 . 1 1 73 73 LEU HD13 H 1 0.867 0.03 . 2 . . . . A 73 LEU HD13 . 30300 1 958 . 1 1 73 73 LEU HD21 H 1 0.835 0.03 . 2 . . . . A 73 LEU HD21 . 30300 1 959 . 1 1 73 73 LEU HD22 H 1 0.835 0.03 . 2 . . . . A 73 LEU HD22 . 30300 1 960 . 1 1 73 73 LEU HD23 H 1 0.835 0.03 . 2 . . . . A 73 LEU HD23 . 30300 1 961 . 1 1 73 73 LEU C C 13 177.392 0.30 . 1 . . . . A 73 LEU C . 30300 1 962 . 1 1 73 73 LEU CA C 13 55.147 0.30 . 1 . . . . A 73 LEU CA . 30300 1 963 . 1 1 73 73 LEU CB C 13 42.546 0.30 . 1 . . . . A 73 LEU CB . 30300 1 964 . 1 1 73 73 LEU CG C 13 27.159 0.30 . 1 . . . . A 73 LEU CG . 30300 1 965 . 1 1 73 73 LEU CD1 C 13 25.282 0.30 . 2 . . . . A 73 LEU CD1 . 30300 1 966 . 1 1 73 73 LEU CD2 C 13 23.290 0.30 . 2 . . . . A 73 LEU CD2 . 30300 1 967 . 1 1 73 73 LEU N N 15 123.983 0.30 . 1 . . . . A 73 LEU N . 30300 1 968 . 1 1 74 74 ARG H H 1 8.341 0.03 . 1 . . . . A 74 ARG H . 30300 1 969 . 1 1 74 74 ARG HA H 1 4.300 0.03 . 1 . . . . A 74 ARG HA . 30300 1 970 . 1 1 74 74 ARG HB2 H 1 1.580 0.03 . 2 . . . . A 74 ARG HB2 . 30300 1 971 . 1 1 74 74 ARG HB3 H 1 1.794 0.03 . 2 . . . . A 74 ARG HB3 . 30300 1 972 . 1 1 74 74 ARG HG2 H 1 1.580 0.03 . 2 . . . . A 74 ARG HG2 . 30300 1 973 . 1 1 74 74 ARG HG3 H 1 1.580 0.03 . 2 . . . . A 74 ARG HG3 . 30300 1 974 . 1 1 74 74 ARG HD2 H 1 3.182 0.03 . 2 . . . . A 74 ARG HD2 . 30300 1 975 . 1 1 74 74 ARG HD3 H 1 3.182 0.03 . 2 . . . . A 74 ARG HD3 . 30300 1 976 . 1 1 74 74 ARG C C 13 176.768 0.30 . 1 . . . . A 74 ARG C . 30300 1 977 . 1 1 74 74 ARG CA C 13 56.411 0.30 . 1 . . . . A 74 ARG CA . 30300 1 978 . 1 1 74 74 ARG CB C 13 31.073 0.30 . 1 . . . . A 74 ARG CB . 30300 1 979 . 1 1 74 74 ARG CG C 13 27.740 0.30 . 1 . . . . A 74 ARG CG . 30300 1 980 . 1 1 74 74 ARG CD C 13 43.330 0.30 . 1 . . . . A 74 ARG CD . 30300 1 981 . 1 1 74 74 ARG N N 15 121.038 0.30 . 1 . . . . A 74 ARG N . 30300 1 982 . 1 1 75 75 GLY H H 1 8.485 0.03 . 1 . . . . A 75 GLY H . 30300 1 983 . 1 1 75 75 GLY HA2 H 1 3.959 0.03 . 2 . . . . A 75 GLY HA2 . 30300 1 984 . 1 1 75 75 GLY HA3 H 1 3.754 0.03 . 2 . . . . A 75 GLY HA3 . 30300 1 985 . 1 1 75 75 GLY C C 13 173.602 0.30 . 1 . . . . A 75 GLY C . 30300 1 986 . 1 1 75 75 GLY CA C 13 45.257 0.30 . 1 . . . . A 75 GLY CA . 30300 1 987 . 1 1 75 75 GLY N N 15 110.886 0.30 . 1 . . . . A 75 GLY N . 30300 1 988 . 1 1 76 76 GLY H H 1 7.957 0.03 . 1 . . . . A 76 GLY H . 30300 1 989 . 1 1 76 76 GLY HA2 H 1 3.724 0.03 . 2 . . . . A 76 GLY HA2 . 30300 1 990 . 1 1 76 76 GLY HA3 H 1 3.782 0.03 . 2 . . . . A 76 GLY HA3 . 30300 1 991 . 1 1 76 76 GLY CA C 13 45.496 0.30 . 1 . . . . A 76 GLY CA . 30300 1 992 . 1 1 76 76 GLY N N 15 115.134 0.30 . 1 . . . . A 76 GLY N . 30300 1 993 . 2 2 4 4 PRO HA H 1 4.495 0.03 . 1 . . . . B 932 PRO HA . 30300 1 994 . 2 2 4 4 PRO HB2 H 1 1.912 0.03 . 2 . . . . B 932 PRO HB2 . 30300 1 995 . 2 2 4 4 PRO HB3 H 1 2.302 0.03 . 2 . . . . B 932 PRO HB3 . 30300 1 996 . 2 2 4 4 PRO HG2 H 1 2.043 0.03 . 2 . . . . B 932 PRO HG2 . 30300 1 997 . 2 2 4 4 PRO HG3 H 1 2.043 0.03 . 2 . . . . B 932 PRO HG3 . 30300 1 998 . 2 2 4 4 PRO HD2 H 1 3.708 0.03 . 2 . . . . B 932 PRO HD2 . 30300 1 999 . 2 2 4 4 PRO HD3 H 1 3.852 0.03 . 2 . . . . B 932 PRO HD3 . 30300 1 1000 . 2 2 4 4 PRO C C 13 176.526 0.30 . 1 . . . . B 932 PRO C . 30300 1 1001 . 2 2 4 4 PRO CA C 13 63.003 0.30 . 1 . . . . B 932 PRO CA . 30300 1 1002 . 2 2 4 4 PRO CB C 13 32.073 0.30 . 1 . . . . B 932 PRO CB . 30300 1 1003 . 2 2 4 4 PRO CG C 13 27.464 0.30 . 1 . . . . B 932 PRO CG . 30300 1 1004 . 2 2 4 4 PRO CD C 13 50.773 0.30 . 1 . . . . B 932 PRO CD . 30300 1 1005 . 2 2 5 5 SER H H 1 8.493 0.03 . 1 . . . . B 933 SER H . 30300 1 1006 . 2 2 5 5 SER HA H 1 4.775 0.03 . 1 . . . . B 933 SER HA . 30300 1 1007 . 2 2 5 5 SER HB2 H 1 3.920 0.03 . 2 . . . . B 933 SER HB2 . 30300 1 1008 . 2 2 5 5 SER HB3 H 1 3.920 0.03 . 2 . . . . B 933 SER HB3 . 30300 1 1009 . 2 2 5 5 SER CA C 13 56.522 0.30 . 1 . . . . B 933 SER CA . 30300 1 1010 . 2 2 5 5 SER CB C 13 63.685 0.30 . 1 . . . . B 933 SER CB . 30300 1 1011 . 2 2 5 5 SER N N 15 117.727 0.30 . 1 . . . . B 933 SER N . 30300 1 1012 . 2 2 6 6 PRO HA H 1 4.475 0.03 . 1 . . . . B 934 PRO HA . 30300 1 1013 . 2 2 6 6 PRO HB2 H 1 1.975 0.03 . 2 . . . . B 934 PRO HB2 . 30300 1 1014 . 2 2 6 6 PRO HB3 H 1 2.344 0.03 . 2 . . . . B 934 PRO HB3 . 30300 1 1015 . 2 2 6 6 PRO HG2 H 1 2.048 0.03 . 2 . . . . B 934 PRO HG2 . 30300 1 1016 . 2 2 6 6 PRO HG3 H 1 2.048 0.03 . 2 . . . . B 934 PRO HG3 . 30300 1 1017 . 2 2 6 6 PRO HD2 H 1 3.703 0.03 . 2 . . . . B 934 PRO HD2 . 30300 1 1018 . 2 2 6 6 PRO HD3 H 1 3.918 0.03 . 2 . . . . B 934 PRO HD3 . 30300 1 1019 . 2 2 6 6 PRO C C 13 177.190 0.30 . 1 . . . . B 934 PRO C . 30300 1 1020 . 2 2 6 6 PRO CA C 13 63.798 0.30 . 1 . . . . B 934 PRO CA . 30300 1 1021 . 2 2 6 6 PRO CB C 13 32.078 0.30 . 1 . . . . B 934 PRO CB . 30300 1 1022 . 2 2 6 6 PRO CG C 13 27.464 0.30 . 1 . . . . B 934 PRO CG . 30300 1 1023 . 2 2 6 6 PRO CD C 13 50.921 0.30 . 1 . . . . B 934 PRO CD . 30300 1 1024 . 2 2 7 7 SER H H 1 8.358 0.03 . 1 . . . . B 935 SER H . 30300 1 1025 . 2 2 7 7 SER HA H 1 4.447 0.03 . 1 . . . . B 935 SER HA . 30300 1 1026 . 2 2 7 7 SER HB2 H 1 3.909 0.03 . 2 . . . . B 935 SER HB2 . 30300 1 1027 . 2 2 7 7 SER HB3 H 1 3.909 0.03 . 2 . . . . B 935 SER HB3 . 30300 1 1028 . 2 2 7 7 SER C C 13 177.190 0.30 . 1 . . . . B 935 SER C . 30300 1 1029 . 2 2 7 7 SER CA C 13 58.796 0.30 . 1 . . . . B 935 SER CA . 30300 1 1030 . 2 2 7 7 SER CB C 13 63.798 0.30 . 1 . . . . B 935 SER CB . 30300 1 1031 . 2 2 7 7 SER N N 15 115.204 0.30 . 1 . . . . B 935 SER N . 30300 1 1032 . 2 2 8 8 GLN H H 1 8.346 0.03 . 1 . . . . B 936 GLN H . 30300 1 1033 . 2 2 8 8 GLN HA H 1 4.274 0.03 . 1 . . . . B 936 GLN HA . 30300 1 1034 . 2 2 8 8 GLN HB2 H 1 2.028 0.03 . 2 . . . . B 936 GLN HB2 . 30300 1 1035 . 2 2 8 8 GLN HB3 H 1 2.028 0.03 . 2 . . . . B 936 GLN HB3 . 30300 1 1036 . 2 2 8 8 GLN HG2 H 1 2.401 0.03 . 2 . . . . B 936 GLN HG2 . 30300 1 1037 . 2 2 8 8 GLN HG3 H 1 2.401 0.03 . 2 . . . . B 936 GLN HG3 . 30300 1 1038 . 2 2 8 8 GLN C C 13 176.592 0.30 . 1 . . . . B 936 GLN C . 30300 1 1039 . 2 2 8 8 GLN CA C 13 56.361 0.30 . 1 . . . . B 936 GLN CA . 30300 1 1040 . 2 2 8 8 GLN CB C 13 29.479 0.30 . 1 . . . . B 936 GLN CB . 30300 1 1041 . 2 2 8 8 GLN CG C 13 33.828 0.30 . 1 . . . . B 936 GLN CG . 30300 1 1042 . 2 2 8 8 GLN N N 15 121.844 0.30 . 1 . . . . B 936 GLN N . 30300 1 1043 . 2 2 9 9 LEU H H 1 8.120 0.03 . 1 . . . . B 937 LEU H . 30300 1 1044 . 2 2 9 9 LEU HA H 1 4.284 0.03 . 1 . . . . B 937 LEU HA . 30300 1 1045 . 2 2 9 9 LEU HB2 H 1 1.645 0.03 . 2 . . . . B 937 LEU HB2 . 30300 1 1046 . 2 2 9 9 LEU HB3 H 1 1.514 0.03 . 2 . . . . B 937 LEU HB3 . 30300 1 1047 . 2 2 9 9 LEU HG H 1 1.457 0.03 . 1 . . . . B 937 LEU HG . 30300 1 1048 . 2 2 9 9 LEU HD11 H 1 0.905 0.03 . 2 . . . . B 937 LEU HD11 . 30300 1 1049 . 2 2 9 9 LEU HD12 H 1 0.905 0.03 . 2 . . . . B 937 LEU HD12 . 30300 1 1050 . 2 2 9 9 LEU HD13 H 1 0.905 0.03 . 2 . . . . B 937 LEU HD13 . 30300 1 1051 . 2 2 9 9 LEU HD21 H 1 0.877 0.03 . 2 . . . . B 937 LEU HD21 . 30300 1 1052 . 2 2 9 9 LEU HD22 H 1 0.877 0.03 . 2 . . . . B 937 LEU HD22 . 30300 1 1053 . 2 2 9 9 LEU HD23 H 1 0.877 0.03 . 2 . . . . B 937 LEU HD23 . 30300 1 1054 . 2 2 9 9 LEU C C 13 175.941 0.30 . 1 . . . . B 937 LEU C . 30300 1 1055 . 2 2 9 9 LEU CA C 13 55.317 0.30 . 1 . . . . B 937 LEU CA . 30300 1 1056 . 2 2 9 9 LEU CB C 13 42.368 0.30 . 1 . . . . B 937 LEU CB . 30300 1 1057 . 2 2 9 9 LEU CG C 13 26.946 0.30 . 1 . . . . B 937 LEU CG . 30300 1 1058 . 2 2 9 9 LEU CD1 C 13 24.801 0.30 . 2 . . . . B 937 LEU CD1 . 30300 1 1059 . 2 2 9 9 LEU CD2 C 13 23.469 0.30 . 2 . . . . B 937 LEU CD2 . 30300 1 1060 . 2 2 9 9 LEU N N 15 122.423 0.30 . 1 . . . . B 937 LEU N . 30300 1 1061 . 2 2 10 10 ASP H H 1 8.290 0.03 . 1 . . . . B 938 ASP H . 30300 1 1062 . 2 2 10 10 ASP HA H 1 4.599 0.03 . 1 . . . . B 938 ASP HA . 30300 1 1063 . 2 2 10 10 ASP HB2 H 1 2.649 0.03 . 2 . . . . B 938 ASP HB2 . 30300 1 1064 . 2 2 10 10 ASP HB3 H 1 2.754 0.03 . 2 . . . . B 938 ASP HB3 . 30300 1 1065 . 2 2 10 10 ASP C C 13 176.605 0.30 . 1 . . . . B 938 ASP C . 30300 1 1066 . 2 2 10 10 ASP CA C 13 54.567 0.30 . 1 . . . . B 938 ASP CA . 30300 1 1067 . 2 2 10 10 ASP CB C 13 41.209 0.30 . 1 . . . . B 938 ASP CB . 30300 1 1068 . 2 2 10 10 ASP N N 15 121.256 0.30 . 1 . . . . B 938 ASP N . 30300 1 1069 . 2 2 11 11 GLN HA H 1 4.210 0.03 . 1 . . . . B 939 GLN HA . 30300 1 1070 . 2 2 11 11 GLN HB2 H 1 2.165 0.03 . 2 . . . . B 939 GLN HB2 . 30300 1 1071 . 2 2 11 11 GLN HB3 H 1 2.081 0.03 . 2 . . . . B 939 GLN HB3 . 30300 1 1072 . 2 2 11 11 GLN HG2 H 1 2.401 0.03 . 2 . . . . B 939 GLN HG2 . 30300 1 1073 . 2 2 11 11 GLN HG3 H 1 2.401 0.03 . 2 . . . . B 939 GLN HG3 . 30300 1 1074 . 2 2 11 11 GLN C C 13 176.605 0.30 . 1 . . . . B 939 GLN C . 30300 1 1075 . 2 2 11 11 GLN CA C 13 57.091 0.30 . 1 . . . . B 939 GLN CA . 30300 1 1076 . 2 2 11 11 GLN CB C 13 29.066 0.30 . 1 . . . . B 939 GLN CB . 30300 1 1077 . 2 2 11 11 GLN CG C 13 33.902 0.30 . 1 . . . . B 939 GLN CG . 30300 1 1078 . 2 2 12 12 SER H H 1 8.470 0.03 . 1 . . . . B 940 SER H . 30300 1 1079 . 2 2 12 12 SER HA H 1 4.357 0.03 . 1 . . . . B 940 SER HA . 30300 1 1080 . 2 2 12 12 SER HB2 H 1 3.916 0.03 . 2 . . . . B 940 SER HB2 . 30300 1 1081 . 2 2 12 12 SER HB3 H 1 3.916 0.03 . 2 . . . . B 940 SER HB3 . 30300 1 1082 . 2 2 12 12 SER C C 13 176.605 0.30 . 1 . . . . B 940 SER C . 30300 1 1083 . 2 2 12 12 SER CA C 13 59.933 0.30 . 1 . . . . B 940 SER CA . 30300 1 1084 . 2 2 12 12 SER CB C 13 63.500 0.30 . 1 . . . . B 940 SER CB . 30300 1 1085 . 2 2 12 12 SER N N 15 116.175 0.30 . 1 . . . . B 940 SER N . 30300 1 1086 . 2 2 13 13 VAL H H 1 7.847 0.03 . 1 . . . . B 941 VAL H . 30300 1 1087 . 2 2 13 13 VAL HA H 1 4.042 0.03 . 1 . . . . B 941 VAL HA . 30300 1 1088 . 2 2 13 13 VAL HB H 1 2.156 0.03 . 1 . . . . B 941 VAL HB . 30300 1 1089 . 2 2 13 13 VAL HG11 H 1 0.951 0.03 . 2 . . . . B 941 VAL HG11 . 30300 1 1090 . 2 2 13 13 VAL HG12 H 1 0.951 0.03 . 2 . . . . B 941 VAL HG12 . 30300 1 1091 . 2 2 13 13 VAL HG13 H 1 0.951 0.03 . 2 . . . . B 941 VAL HG13 . 30300 1 1092 . 2 2 13 13 VAL HG21 H 1 0.951 0.03 . 2 . . . . B 941 VAL HG21 . 30300 1 1093 . 2 2 13 13 VAL HG22 H 1 0.951 0.03 . 2 . . . . B 941 VAL HG22 . 30300 1 1094 . 2 2 13 13 VAL HG23 H 1 0.951 0.03 . 2 . . . . B 941 VAL HG23 . 30300 1 1095 . 2 2 13 13 VAL C C 13 176.716 0.30 . 1 . . . . B 941 VAL C . 30300 1 1096 . 2 2 13 13 VAL CA C 13 63.418 0.30 . 1 . . . . B 941 VAL CA . 30300 1 1097 . 2 2 13 13 VAL CB C 13 32.237 0.30 . 1 . . . . B 941 VAL CB . 30300 1 1098 . 2 2 13 13 VAL CG1 C 13 21.249 0.30 . 2 . . . . B 941 VAL CG1 . 30300 1 1099 . 2 2 13 13 VAL CG2 C 13 21.249 0.30 . 2 . . . . B 941 VAL CG2 . 30300 1 1100 . 2 2 13 13 VAL N N 15 121.731 0.30 . 1 . . . . B 941 VAL N . 30300 1 1101 . 2 2 14 14 LEU H H 1 7.989 0.03 . 1 . . . . B 942 LEU H . 30300 1 1102 . 2 2 14 14 LEU HA H 1 4.211 0.03 . 1 . . . . B 942 LEU HA . 30300 1 1103 . 2 2 14 14 LEU HB2 H 1 1.670 0.03 . 2 . . . . B 942 LEU HB2 . 30300 1 1104 . 2 2 14 14 LEU HB3 H 1 1.564 0.03 . 2 . . . . B 942 LEU HB3 . 30300 1 1105 . 2 2 14 14 LEU HG H 1 1.629 0.03 . 1 . . . . B 942 LEU HG . 30300 1 1106 . 2 2 14 14 LEU HD11 H 1 0.934 0.03 . 2 . . . . B 942 LEU HD11 . 30300 1 1107 . 2 2 14 14 LEU HD12 H 1 0.934 0.03 . 2 . . . . B 942 LEU HD12 . 30300 1 1108 . 2 2 14 14 LEU HD13 H 1 0.934 0.03 . 2 . . . . B 942 LEU HD13 . 30300 1 1109 . 2 2 14 14 LEU HD21 H 1 0.874 0.03 . 2 . . . . B 942 LEU HD21 . 30300 1 1110 . 2 2 14 14 LEU HD22 H 1 0.874 0.03 . 2 . . . . B 942 LEU HD22 . 30300 1 1111 . 2 2 14 14 LEU HD23 H 1 0.874 0.03 . 2 . . . . B 942 LEU HD23 . 30300 1 1112 . 2 2 14 14 LEU C C 13 178.006 0.30 . 1 . . . . B 942 LEU C . 30300 1 1113 . 2 2 14 14 LEU CA C 13 56.228 0.30 . 1 . . . . B 942 LEU CA . 30300 1 1114 . 2 2 14 14 LEU CB C 13 42.206 0.30 . 1 . . . . B 942 LEU CB . 30300 1 1115 . 2 2 14 14 LEU CG C 13 27.020 0.30 . 1 . . . . B 942 LEU CG . 30300 1 1116 . 2 2 14 14 LEU CD1 C 13 25.245 0.30 . 2 . . . . B 942 LEU CD1 . 30300 1 1117 . 2 2 14 14 LEU CD2 C 13 23.691 0.30 . 2 . . . . B 942 LEU CD2 . 30300 1 1118 . 2 2 14 14 LEU N N 15 122.951 0.30 . 1 . . . . B 942 LEU N . 30300 1 1119 . 2 2 15 15 GLU H H 1 8.165 0.03 . 1 . . . . B 943 GLU H . 30300 1 1120 . 2 2 15 15 GLU HA H 1 4.179 0.03 . 1 . . . . B 943 GLU HA . 30300 1 1121 . 2 2 15 15 GLU HB2 H 1 1.960 0.03 . 2 . . . . B 943 GLU HB2 . 30300 1 1122 . 2 2 15 15 GLU HB3 H 1 2.047 0.03 . 2 . . . . B 943 GLU HB3 . 30300 1 1123 . 2 2 15 15 GLU HG2 H 1 2.327 0.03 . 2 . . . . B 943 GLU HG2 . 30300 1 1124 . 2 2 15 15 GLU HG3 H 1 2.327 0.03 . 2 . . . . B 943 GLU HG3 . 30300 1 1125 . 2 2 15 15 GLU C C 13 176.062 0.30 . 1 . . . . B 943 GLU C . 30300 1 1126 . 2 2 15 15 GLU CA C 13 57.026 0.30 . 1 . . . . B 943 GLU CA . 30300 1 1127 . 2 2 15 15 GLU CB C 13 30.110 0.30 . 1 . . . . B 943 GLU CB . 30300 1 1128 . 2 2 15 15 GLU CG C 13 36.566 0.30 . 1 . . . . B 943 GLU CG . 30300 1 1129 . 2 2 15 15 GLU N N 15 119.132 0.30 . 1 . . . . B 943 GLU N . 30300 1 1130 . 2 2 16 16 ALA H H 1 7.879 0.03 . 1 . . . . B 944 ALA H . 30300 1 1131 . 2 2 16 16 ALA HA H 1 4.306 0.03 . 1 . . . . B 944 ALA HA . 30300 1 1132 . 2 2 16 16 ALA HB1 H 1 1.375 0.03 . 1 . . . . B 944 ALA HB1 . 30300 1 1133 . 2 2 16 16 ALA HB2 H 1 1.375 0.03 . 1 . . . . B 944 ALA HB2 . 30300 1 1134 . 2 2 16 16 ALA HB3 H 1 1.375 0.03 . 1 . . . . B 944 ALA HB3 . 30300 1 1135 . 2 2 16 16 ALA C C 13 177.423 0.30 . 1 . . . . B 944 ALA C . 30300 1 1136 . 2 2 16 16 ALA CA C 13 52.174 0.30 . 1 . . . . B 944 ALA CA . 30300 1 1137 . 2 2 16 16 ALA CB C 13 19.344 0.30 . 1 . . . . B 944 ALA CB . 30300 1 1138 . 2 2 16 16 ALA N N 15 123.144 0.30 . 1 . . . . B 944 ALA N . 30300 1 1139 . 2 2 17 17 LEU H H 1 7.931 0.03 . 1 . . . . B 945 LEU H . 30300 1 1140 . 2 2 17 17 LEU HA H 1 4.580 0.03 . 1 . . . . B 945 LEU HA . 30300 1 1141 . 2 2 17 17 LEU HB2 H 1 1.448 0.03 . 2 . . . . B 945 LEU HB2 . 30300 1 1142 . 2 2 17 17 LEU HB3 H 1 1.659 0.03 . 2 . . . . B 945 LEU HB3 . 30300 1 1143 . 2 2 17 17 LEU HG H 1 1.695 0.03 . 1 . . . . B 945 LEU HG . 30300 1 1144 . 2 2 17 17 LEU HD11 H 1 0.934 0.03 . 2 . . . . B 945 LEU HD11 . 30300 1 1145 . 2 2 17 17 LEU HD12 H 1 0.934 0.03 . 2 . . . . B 945 LEU HD12 . 30300 1 1146 . 2 2 17 17 LEU HD13 H 1 0.934 0.03 . 2 . . . . B 945 LEU HD13 . 30300 1 1147 . 2 2 17 17 LEU HD21 H 1 0.879 0.03 . 2 . . . . B 945 LEU HD21 . 30300 1 1148 . 2 2 17 17 LEU HD22 H 1 0.879 0.03 . 2 . . . . B 945 LEU HD22 . 30300 1 1149 . 2 2 17 17 LEU HD23 H 1 0.879 0.03 . 2 . . . . B 945 LEU HD23 . 30300 1 1150 . 2 2 17 17 LEU C C 13 174.736 0.30 . 1 . . . . B 945 LEU C . 30300 1 1151 . 2 2 17 17 LEU CA C 13 52.972 0.30 . 1 . . . . B 945 LEU CA . 30300 1 1152 . 2 2 17 17 LEU CB C 13 41.873 0.30 . 1 . . . . B 945 LEU CB . 30300 1 1153 . 2 2 17 17 LEU CG C 13 27.021 0.30 . 1 . . . . B 945 LEU CG . 30300 1 1154 . 2 2 17 17 LEU CD1 C 13 25.023 0.30 . 2 . . . . B 945 LEU CD1 . 30300 1 1155 . 2 2 17 17 LEU CD2 C 13 23.543 0.30 . 2 . . . . B 945 LEU CD2 . 30300 1 1156 . 2 2 17 17 LEU N N 15 121.869 0.30 . 1 . . . . B 945 LEU N . 30300 1 1157 . 2 2 19 19 PRO HA H 1 4.263 0.03 . 1 . . . . B 947 PRO HA . 30300 1 1158 . 2 2 19 19 PRO HB2 H 1 1.965 0.03 . 2 . . . . B 947 PRO HB2 . 30300 1 1159 . 2 2 19 19 PRO HB3 H 1 2.355 0.03 . 2 . . . . B 947 PRO HB3 . 30300 1 1160 . 2 2 19 19 PRO HG2 H 1 2.083 0.03 . 2 . . . . B 947 PRO HG2 . 30300 1 1161 . 2 2 19 19 PRO HG3 H 1 2.083 0.03 . 2 . . . . B 947 PRO HG3 . 30300 1 1162 . 2 2 19 19 PRO HD2 H 1 3.868 0.03 . 2 . . . . B 947 PRO HD2 . 30300 1 1163 . 2 2 19 19 PRO HD3 H 1 3.763 0.03 . 2 . . . . B 947 PRO HD3 . 30300 1 1164 . 2 2 19 19 PRO C C 13 177.237 0.30 . 1 . . . . B 947 PRO C . 30300 1 1165 . 2 2 19 19 PRO CA C 13 64.481 0.30 . 1 . . . . B 947 PRO CA . 30300 1 1166 . 2 2 19 19 PRO CB C 13 32.073 0.30 . 1 . . . . B 947 PRO CB . 30300 1 1167 . 2 2 19 19 PRO CG C 13 27.464 0.30 . 1 . . . . B 947 PRO CG . 30300 1 1168 . 2 2 19 19 PRO CD C 13 50.773 0.30 . 1 . . . . B 947 PRO CD . 30300 1 1169 . 2 2 20 20 ASP H H 1 8.584 0.03 . 1 . . . . B 948 ASP H . 30300 1 1170 . 2 2 20 20 ASP HA H 1 4.517 0.03 . 1 . . . . B 948 ASP HA . 30300 1 1171 . 2 2 20 20 ASP HB2 H 1 2.746 0.03 . 2 . . . . B 948 ASP HB2 . 30300 1 1172 . 2 2 20 20 ASP HB3 H 1 2.632 0.03 . 2 . . . . B 948 ASP HB3 . 30300 1 1173 . 2 2 20 20 ASP C C 13 177.095 0.30 . 1 . . . . B 948 ASP C . 30300 1 1174 . 2 2 20 20 ASP CA C 13 54.987 0.30 . 1 . . . . B 948 ASP CA . 30300 1 1175 . 2 2 20 20 ASP CB C 13 40.364 0.30 . 1 . . . . B 948 ASP CB . 30300 1 1176 . 2 2 20 20 ASP N N 15 117.593 0.30 . 1 . . . . B 948 ASP N . 30300 1 1177 . 2 2 21 21 LEU H H 1 7.912 0.03 . 1 . . . . B 949 LEU H . 30300 1 1178 . 2 2 21 21 LEU HA H 1 4.380 0.03 . 1 . . . . B 949 LEU HA . 30300 1 1179 . 2 2 21 21 LEU HB2 H 1 1.652 0.03 . 2 . . . . B 949 LEU HB2 . 30300 1 1180 . 2 2 21 21 LEU HB3 H 1 1.652 0.03 . 2 . . . . B 949 LEU HB3 . 30300 1 1181 . 2 2 21 21 LEU HG H 1 1.644 0.03 . 1 . . . . B 949 LEU HG . 30300 1 1182 . 2 2 21 21 LEU HD11 H 1 0.934 0.03 . 2 . . . . B 949 LEU HD11 . 30300 1 1183 . 2 2 21 21 LEU HD12 H 1 0.934 0.03 . 2 . . . . B 949 LEU HD12 . 30300 1 1184 . 2 2 21 21 LEU HD13 H 1 0.934 0.03 . 2 . . . . B 949 LEU HD13 . 30300 1 1185 . 2 2 21 21 LEU HD21 H 1 0.879 0.03 . 2 . . . . B 949 LEU HD21 . 30300 1 1186 . 2 2 21 21 LEU HD22 H 1 0.879 0.03 . 2 . . . . B 949 LEU HD22 . 30300 1 1187 . 2 2 21 21 LEU HD23 H 1 0.879 0.03 . 2 . . . . B 949 LEU HD23 . 30300 1 1188 . 2 2 21 21 LEU C C 13 177.741 0.30 . 1 . . . . B 949 LEU C . 30300 1 1189 . 2 2 21 21 LEU CA C 13 55.763 0.30 . 1 . . . . B 949 LEU CA . 30300 1 1190 . 2 2 21 21 LEU CB C 13 42.206 0.30 . 1 . . . . B 949 LEU CB . 30300 1 1191 . 2 2 21 21 LEU CG C 13 26.946 0.30 . 1 . . . . B 949 LEU CG . 30300 1 1192 . 2 2 21 21 LEU CD1 C 13 24.949 0.30 . 2 . . . . B 949 LEU CD1 . 30300 1 1193 . 2 2 21 21 LEU CD2 C 13 23.617 0.30 . 2 . . . . B 949 LEU CD2 . 30300 1 1194 . 2 2 21 21 LEU N N 15 122.183 0.30 . 1 . . . . B 949 LEU N . 30300 1 1195 . 2 2 22 22 ARG H H 1 8.201 0.03 . 1 . . . . B 950 ARG H . 30300 1 1196 . 2 2 22 22 ARG HA H 1 4.137 0.03 . 1 . . . . B 950 ARG HA . 30300 1 1197 . 2 2 22 22 ARG HB2 H 1 1.828 0.03 . 2 . . . . B 950 ARG HB2 . 30300 1 1198 . 2 2 22 22 ARG HB3 H 1 1.883 0.03 . 2 . . . . B 950 ARG HB3 . 30300 1 1199 . 2 2 22 22 ARG HG2 H 1 1.651 0.03 . 2 . . . . B 950 ARG HG2 . 30300 1 1200 . 2 2 22 22 ARG HG3 H 1 1.651 0.03 . 2 . . . . B 950 ARG HG3 . 30300 1 1201 . 2 2 22 22 ARG HD2 H 1 3.208 0.03 . 2 . . . . B 950 ARG HD2 . 30300 1 1202 . 2 2 22 22 ARG HD3 H 1 3.208 0.03 . 2 . . . . B 950 ARG HD3 . 30300 1 1203 . 2 2 22 22 ARG C C 13 177.000 0.30 . 1 . . . . B 950 ARG C . 30300 1 1204 . 2 2 22 22 ARG CA C 13 57.773 0.30 . 1 . . . . B 950 ARG CA . 30300 1 1205 . 2 2 22 22 ARG CB C 13 30.430 0.30 . 1 . . . . B 950 ARG CB . 30300 1 1206 . 2 2 22 22 ARG CG C 13 27.272 0.30 . 1 . . . . B 950 ARG CG . 30300 1 1207 . 2 2 22 22 ARG CD C 13 42.264 0.30 . 1 . . . . B 950 ARG CD . 30300 1 1208 . 2 2 22 22 ARG N N 15 120.444 0.30 . 1 . . . . B 950 ARG N . 30300 1 1209 . 2 2 23 23 GLU H H 1 8.235 0.03 . 1 . . . . B 951 GLU H . 30300 1 1210 . 2 2 23 23 GLU HA H 1 4.211 0.03 . 1 . . . . B 951 GLU HA . 30300 1 1211 . 2 2 23 23 GLU HB2 H 1 1.417 0.03 . 2 . . . . B 951 GLU HB2 . 30300 1 1212 . 2 2 23 23 GLU HB3 H 1 2.039 0.03 . 2 . . . . B 951 GLU HB3 . 30300 1 1213 . 2 2 23 23 GLU HG2 H 1 2.300 0.03 . 2 . . . . B 951 GLU HG2 . 30300 1 1214 . 2 2 23 23 GLU HG3 H 1 2.300 0.03 . 2 . . . . B 951 GLU HG3 . 30300 1 1215 . 2 2 23 23 GLU C C 13 175.107 0.30 . 1 . . . . B 951 GLU C . 30300 1 1216 . 2 2 23 23 GLU CA C 13 56.602 0.30 . 1 . . . . B 951 GLU CA . 30300 1 1217 . 2 2 23 23 GLU CB C 13 30.032 0.30 . 1 . . . . B 951 GLU CB . 30300 1 1218 . 2 2 23 23 GLU CG C 13 36.344 0.30 . 1 . . . . B 951 GLU CG . 30300 1 1219 . 2 2 23 23 GLU N N 15 119.363 0.30 . 1 . . . . B 951 GLU N . 30300 1 1220 . 2 2 24 24 GLN H H 1 8.059 0.03 . 1 . . . . B 952 GLN H . 30300 1 1221 . 2 2 24 24 GLN HA H 1 4.225 0.03 . 1 . . . . B 952 GLN HA . 30300 1 1222 . 2 2 24 24 GLN HB2 H 1 2.054 0.03 . 2 . . . . B 952 GLN HB2 . 30300 1 1223 . 2 2 24 24 GLN HB3 H 1 2.152 0.03 . 2 . . . . B 952 GLN HB3 . 30300 1 1224 . 2 2 24 24 GLN HG2 H 1 2.401 0.03 . 2 . . . . B 952 GLN HG2 . 30300 1 1225 . 2 2 24 24 GLN HG3 H 1 2.401 0.03 . 2 . . . . B 952 GLN HG3 . 30300 1 1226 . 2 2 24 24 GLN C C 13 176.787 0.30 . 1 . . . . B 952 GLN C . 30300 1 1227 . 2 2 24 24 GLN CA C 13 56.923 0.30 . 1 . . . . B 952 GLN CA . 30300 1 1228 . 2 2 24 24 GLN CB C 13 29.427 0.30 . 1 . . . . B 952 GLN CB . 30300 1 1229 . 2 2 24 24 GLN CG C 13 33.754 0.30 . 1 . . . . B 952 GLN CG . 30300 1 1230 . 2 2 24 24 GLN N N 15 119.979 0.30 . 1 . . . . B 952 GLN N . 30300 1 1231 . 2 2 25 25 VAL H H 1 8.118 0.03 . 1 . . . . B 953 VAL H . 30300 1 1232 . 2 2 25 25 VAL HA H 1 3.986 0.03 . 1 . . . . B 953 VAL HA . 30300 1 1233 . 2 2 25 25 VAL HB H 1 2.145 0.03 . 1 . . . . B 953 VAL HB . 30300 1 1234 . 2 2 25 25 VAL HG11 H 1 0.932 0.03 . 2 . . . . B 953 VAL HG11 . 30300 1 1235 . 2 2 25 25 VAL HG12 H 1 0.932 0.03 . 2 . . . . B 953 VAL HG12 . 30300 1 1236 . 2 2 25 25 VAL HG13 H 1 0.932 0.03 . 2 . . . . B 953 VAL HG13 . 30300 1 1237 . 2 2 25 25 VAL HG21 H 1 0.932 0.03 . 2 . . . . B 953 VAL HG21 . 30300 1 1238 . 2 2 25 25 VAL HG22 H 1 0.932 0.03 . 2 . . . . B 953 VAL HG22 . 30300 1 1239 . 2 2 25 25 VAL HG23 H 1 0.932 0.03 . 2 . . . . B 953 VAL HG23 . 30300 1 1240 . 2 2 25 25 VAL C C 13 176.763 0.30 . 1 . . . . B 953 VAL C . 30300 1 1241 . 2 2 25 25 VAL CA C 13 63.721 0.30 . 1 . . . . B 953 VAL CA . 30300 1 1242 . 2 2 25 25 VAL CB C 13 32.135 0.30 . 1 . . . . B 953 VAL CB . 30300 1 1243 . 2 2 25 25 VAL CG1 C 13 21.175 0.30 . 2 . . . . B 953 VAL CG1 . 30300 1 1244 . 2 2 25 25 VAL CG2 C 13 21.175 0.30 . 2 . . . . B 953 VAL CG2 . 30300 1 1245 . 2 2 25 25 VAL N N 15 120.345 0.30 . 1 . . . . B 953 VAL N . 30300 1 1246 . 2 2 26 26 GLU H H 1 8.452 0.03 . 1 . . . . B 954 GLU H . 30300 1 1247 . 2 2 26 26 GLU HA H 1 4.577 0.03 . 1 . . . . B 954 GLU HA . 30300 1 1248 . 2 2 26 26 GLU HB2 H 1 1.899 0.03 . 2 . . . . B 954 GLU HB2 . 30300 1 1249 . 2 2 26 26 GLU HB3 H 1 2.065 0.03 . 2 . . . . B 954 GLU HB3 . 30300 1 1250 . 2 2 26 26 GLU HG2 H 1 2.377 0.03 . 2 . . . . B 954 GLU HG2 . 30300 1 1251 . 2 2 26 26 GLU HG3 H 1 2.377 0.03 . 2 . . . . B 954 GLU HG3 . 30300 1 1252 . 2 2 26 26 GLU C C 13 174.850 0.30 . 1 . . . . B 954 GLU C . 30300 1 1253 . 2 2 26 26 GLU CA C 13 54.529 0.30 . 1 . . . . B 954 GLU CA . 30300 1 1254 . 2 2 26 26 GLU CB C 13 29.734 0.30 . 1 . . . . B 954 GLU CB . 30300 1 1255 . 2 2 26 26 GLU CG C 13 33.902 0.30 . 1 . . . . B 954 GLU CG . 30300 1 1256 . 2 2 26 26 GLU N N 15 122.521 0.30 . 1 . . . . B 954 GLU N . 30300 1 1257 . 2 2 27 27 GLN H H 1 8.423 0.03 . 1 . . . . B 955 GLN H . 30300 1 1258 . 2 2 27 27 GLN HA H 1 4.327 0.03 . 1 . . . . B 955 GLN HA . 30300 1 1259 . 2 2 27 27 GLN HB2 H 1 2.059 0.03 . 2 . . . . B 955 GLN HB2 . 30300 1 1260 . 2 2 27 27 GLN HB3 H 1 2.162 0.03 . 2 . . . . B 955 GLN HB3 . 30300 1 1261 . 2 2 27 27 GLN HG2 H 1 2.401 0.03 . 2 . . . . B 955 GLN HG2 . 30300 1 1262 . 2 2 27 27 GLN HG3 H 1 2.401 0.03 . 2 . . . . B 955 GLN HG3 . 30300 1 1263 . 2 2 27 27 GLN C C 13 176.542 0.30 . 1 . . . . B 955 GLN C . 30300 1 1264 . 2 2 27 27 GLN CA C 13 56.828 0.30 . 1 . . . . B 955 GLN CA . 30300 1 1265 . 2 2 27 27 GLN CB C 13 29.246 0.30 . 1 . . . . B 955 GLN CB . 30300 1 1266 . 2 2 27 27 GLN CG C 13 33.902 0.30 . 1 . . . . B 955 GLN CG . 30300 1 1267 . 2 2 27 27 GLN N N 15 123.706 0.30 . 1 . . . . B 955 GLN N . 30300 1 1268 . 2 2 28 28 VAL H H 1 8.160 0.03 . 1 . . . . B 956 VAL H . 30300 1 1269 . 2 2 28 28 VAL HA H 1 4.074 0.03 . 1 . . . . B 956 VAL HA . 30300 1 1270 . 2 2 28 28 VAL HB H 1 2.137 0.03 . 1 . . . . B 956 VAL HB . 30300 1 1271 . 2 2 28 28 VAL HG11 H 1 0.958 0.03 . 2 . . . . B 956 VAL HG11 . 30300 1 1272 . 2 2 28 28 VAL HG12 H 1 0.958 0.03 . 2 . . . . B 956 VAL HG12 . 30300 1 1273 . 2 2 28 28 VAL HG13 H 1 0.958 0.03 . 2 . . . . B 956 VAL HG13 . 30300 1 1274 . 2 2 28 28 VAL HG21 H 1 0.958 0.03 . 2 . . . . B 956 VAL HG21 . 30300 1 1275 . 2 2 28 28 VAL HG22 H 1 0.958 0.03 . 2 . . . . B 956 VAL HG22 . 30300 1 1276 . 2 2 28 28 VAL HG23 H 1 0.958 0.03 . 2 . . . . B 956 VAL HG23 . 30300 1 1277 . 2 2 28 28 VAL C C 13 176.700 0.30 . 1 . . . . B 956 VAL C . 30300 1 1278 . 2 2 28 28 VAL CA C 13 63.457 0.30 . 1 . . . . B 956 VAL CA . 30300 1 1279 . 2 2 28 28 VAL CB C 13 32.647 0.30 . 1 . . . . B 956 VAL CB . 30300 1 1280 . 2 2 28 28 VAL CG1 C 13 21.249 0.30 . 2 . . . . B 956 VAL CG1 . 30300 1 1281 . 2 2 28 28 VAL CG2 C 13 21.249 0.30 . 2 . . . . B 956 VAL CG2 . 30300 1 1282 . 2 2 28 28 VAL N N 15 120.681 0.30 . 1 . . . . B 956 VAL N . 30300 1 1283 . 2 2 29 29 CYS H H 1 8.182 0.03 . 1 . . . . B 957 CYS H . 30300 1 1284 . 2 2 29 29 CYS HA H 1 4.666 0.03 . 1 . . . . B 957 CYS HA . 30300 1 1285 . 2 2 29 29 CYS HB2 H 1 3.019 0.03 . 2 . . . . B 957 CYS HB2 . 30300 1 1286 . 2 2 29 29 CYS HB3 H 1 3.220 0.03 . 2 . . . . B 957 CYS HB3 . 30300 1 1287 . 2 2 29 29 CYS C C 13 174.676 0.30 . 1 . . . . B 957 CYS C . 30300 1 1288 . 2 2 29 29 CYS CA C 13 55.840 0.30 . 1 . . . . B 957 CYS CA . 30300 1 1289 . 2 2 29 29 CYS CB C 13 40.492 0.30 . 1 . . . . B 957 CYS CB . 30300 1 1290 . 2 2 29 29 CYS N N 15 120.845 0.30 . 1 . . . . B 957 CYS N . 30300 1 1291 . 2 2 30 30 ALA H H 1 8.269 0.03 . 1 . . . . B 958 ALA H . 30300 1 1292 . 2 2 30 30 ALA HA H 1 4.346 0.03 . 1 . . . . B 958 ALA HA . 30300 1 1293 . 2 2 30 30 ALA HB1 H 1 1.428 0.03 . 1 . . . . B 958 ALA HB1 . 30300 1 1294 . 2 2 30 30 ALA HB2 H 1 1.428 0.03 . 1 . . . . B 958 ALA HB2 . 30300 1 1295 . 2 2 30 30 ALA HB3 H 1 1.428 0.03 . 1 . . . . B 958 ALA HB3 . 30300 1 1296 . 2 2 30 30 ALA C C 13 178.006 0.30 . 1 . . . . B 958 ALA C . 30300 1 1297 . 2 2 30 30 ALA CA C 13 53.111 0.30 . 1 . . . . B 958 ALA CA . 30300 1 1298 . 2 2 30 30 ALA CB C 13 19.174 0.30 . 1 . . . . B 958 ALA CB . 30300 1 1299 . 2 2 30 30 ALA N N 15 125.403 0.30 . 1 . . . . B 958 ALA N . 30300 1 1300 . 2 2 31 31 VAL H H 1 8.025 0.03 . 1 . . . . B 959 VAL H . 30300 1 1301 . 2 2 31 31 VAL HA H 1 4.063 0.03 . 1 . . . . B 959 VAL HA . 30300 1 1302 . 2 2 31 31 VAL HB H 1 2.132 0.03 . 1 . . . . B 959 VAL HB . 30300 1 1303 . 2 2 31 31 VAL HG11 H 1 0.958 0.03 . 2 . . . . B 959 VAL HG11 . 30300 1 1304 . 2 2 31 31 VAL HG12 H 1 0.958 0.03 . 2 . . . . B 959 VAL HG12 . 30300 1 1305 . 2 2 31 31 VAL HG13 H 1 0.958 0.03 . 2 . . . . B 959 VAL HG13 . 30300 1 1306 . 2 2 31 31 VAL HG21 H 1 0.958 0.03 . 2 . . . . B 959 VAL HG21 . 30300 1 1307 . 2 2 31 31 VAL HG22 H 1 0.958 0.03 . 2 . . . . B 959 VAL HG22 . 30300 1 1308 . 2 2 31 31 VAL HG23 H 1 0.958 0.03 . 2 . . . . B 959 VAL HG23 . 30300 1 1309 . 2 2 31 31 VAL C C 13 176.522 0.30 . 1 . . . . B 959 VAL C . 30300 1 1310 . 2 2 31 31 VAL CA C 13 63.057 0.30 . 1 . . . . B 959 VAL CA . 30300 1 1311 . 2 2 31 31 VAL CB C 13 32.569 0.30 . 1 . . . . B 959 VAL CB . 30300 1 1312 . 2 2 31 31 VAL CG1 C 13 21.249 0.30 . 2 . . . . B 959 VAL CG1 . 30300 1 1313 . 2 2 31 31 VAL CG2 C 13 21.249 0.30 . 2 . . . . B 959 VAL CG2 . 30300 1 1314 . 2 2 31 31 VAL N N 15 119.076 0.30 . 1 . . . . B 959 VAL N . 30300 1 1315 . 2 2 32 32 GLN H H 1 8.391 0.03 . 1 . . . . B 960 GLN H . 30300 1 1316 . 2 2 32 32 GLN HA H 1 4.306 0.03 . 1 . . . . B 960 GLN HA . 30300 1 1317 . 2 2 32 32 GLN HB2 H 1 2.159 0.03 . 2 . . . . B 960 GLN HB2 . 30300 1 1318 . 2 2 32 32 GLN HB3 H 1 2.037 0.03 . 2 . . . . B 960 GLN HB3 . 30300 1 1319 . 2 2 32 32 GLN HG2 H 1 2.401 0.03 . 2 . . . . B 960 GLN HG2 . 30300 1 1320 . 2 2 32 32 GLN HG3 H 1 2.401 0.03 . 2 . . . . B 960 GLN HG3 . 30300 1 1321 . 2 2 32 32 GLN C C 13 176.522 0.30 . 1 . . . . B 960 GLN C . 30300 1 1322 . 2 2 32 32 GLN CA C 13 56.295 0.30 . 1 . . . . B 960 GLN CA . 30300 1 1323 . 2 2 32 32 GLN CB C 13 29.293 0.30 . 1 . . . . B 960 GLN CB . 30300 1 1324 . 2 2 32 32 GLN CG C 13 33.902 0.30 . 1 . . . . B 960 GLN CG . 30300 1 1325 . 2 2 32 32 GLN N N 15 123.253 0.30 . 1 . . . . B 960 GLN N . 30300 1 1326 . 2 2 33 33 GLN H H 1 8.448 0.03 . 1 . . . . B 961 GLN H . 30300 1 1327 . 2 2 33 33 GLN HA H 1 4.295 0.03 . 1 . . . . B 961 GLN HA . 30300 1 1328 . 2 2 33 33 GLN HB2 H 1 2.159 0.03 . 2 . . . . B 961 GLN HB2 . 30300 1 1329 . 2 2 33 33 GLN HB3 H 1 2.037 0.03 . 2 . . . . B 961 GLN HB3 . 30300 1 1330 . 2 2 33 33 GLN HG2 H 1 2.401 0.03 . 2 . . . . B 961 GLN HG2 . 30300 1 1331 . 2 2 33 33 GLN HG3 H 1 2.401 0.03 . 2 . . . . B 961 GLN HG3 . 30300 1 1332 . 2 2 33 33 GLN C C 13 176.036 0.30 . 1 . . . . B 961 GLN C . 30300 1 1333 . 2 2 33 33 GLN CA C 13 56.295 0.30 . 1 . . . . B 961 GLN CA . 30300 1 1334 . 2 2 33 33 GLN CB C 13 29.463 0.30 . 1 . . . . B 961 GLN CB . 30300 1 1335 . 2 2 33 33 GLN CG C 13 33.902 0.30 . 1 . . . . B 961 GLN CG . 30300 1 1336 . 2 2 33 33 GLN N N 15 121.412 0.30 . 1 . . . . B 961 GLN N . 30300 1 1337 . 2 2 34 34 ALA H H 1 8.326 0.03 . 1 . . . . B 962 ALA H . 30300 1 1338 . 2 2 34 34 ALA HA H 1 4.294 0.03 . 1 . . . . B 962 ALA HA . 30300 1 1339 . 2 2 34 34 ALA HB1 H 1 1.428 0.03 . 1 . . . . B 962 ALA HB1 . 30300 1 1340 . 2 2 34 34 ALA HB2 H 1 1.428 0.03 . 1 . . . . B 962 ALA HB2 . 30300 1 1341 . 2 2 34 34 ALA HB3 H 1 1.428 0.03 . 1 . . . . B 962 ALA HB3 . 30300 1 1342 . 2 2 34 34 ALA C C 13 177.901 0.30 . 1 . . . . B 962 ALA C . 30300 1 1343 . 2 2 34 34 ALA CA C 13 52.941 0.30 . 1 . . . . B 962 ALA CA . 30300 1 1344 . 2 2 34 34 ALA CB C 13 19.345 0.30 . 1 . . . . B 962 ALA CB . 30300 1 1345 . 2 2 34 34 ALA N N 15 124.797 0.30 . 1 . . . . B 962 ALA N . 30300 1 1346 . 2 2 35 35 GLU H H 1 8.398 0.03 . 1 . . . . B 963 GLU H . 30300 1 1347 . 2 2 35 35 GLU HA H 1 4.294 0.03 . 1 . . . . B 963 GLU HA . 30300 1 1348 . 2 2 35 35 GLU HB2 H 1 2.058 0.03 . 2 . . . . B 963 GLU HB2 . 30300 1 1349 . 2 2 35 35 GLU HB3 H 1 1.957 0.03 . 2 . . . . B 963 GLU HB3 . 30300 1 1350 . 2 2 35 35 GLU HG2 H 1 2.282 0.03 . 2 . . . . B 963 GLU HG2 . 30300 1 1351 . 2 2 35 35 GLU HG3 H 1 2.282 0.03 . 2 . . . . B 963 GLU HG3 . 30300 1 1352 . 2 2 35 35 GLU C C 13 176.610 0.30 . 1 . . . . B 963 GLU C . 30300 1 1353 . 2 2 35 35 GLU CA C 13 56.693 0.30 . 1 . . . . B 963 GLU CA . 30300 1 1354 . 2 2 35 35 GLU CB C 13 30.316 0.30 . 1 . . . . B 963 GLU CB . 30300 1 1355 . 2 2 35 35 GLU CG C 13 36.344 0.30 . 1 . . . . B 963 GLU CG . 30300 1 1356 . 2 2 35 35 GLU N N 15 119.587 0.30 . 1 . . . . B 963 GLU N . 30300 1 1357 . 2 2 36 36 SER H H 1 8.291 0.03 . 1 . . . . B 964 SER H . 30300 1 1358 . 2 2 36 36 SER HA H 1 4.475 0.03 . 1 . . . . B 964 SER HA . 30300 1 1359 . 2 2 36 36 SER HB2 H 1 3.861 0.03 . 2 . . . . B 964 SER HB2 . 30300 1 1360 . 2 2 36 36 SER HB3 H 1 3.861 0.03 . 2 . . . . B 964 SER HB3 . 30300 1 1361 . 2 2 36 36 SER C C 13 174.489 0.30 . 1 . . . . B 964 SER C . 30300 1 1362 . 2 2 36 36 SER CA C 13 58.512 0.30 . 1 . . . . B 964 SER CA . 30300 1 1363 . 2 2 36 36 SER CB C 13 63.912 0.30 . 1 . . . . B 964 SER CB . 30300 1 1364 . 2 2 36 36 SER N N 15 116.450 0.30 . 1 . . . . B 964 SER N . 30300 1 1365 . 2 2 37 37 HIS H H 1 8.594 0.03 . 1 . . . . B 965 HIS H . 30300 1 1366 . 2 2 37 37 HIS HA H 1 4.706 0.03 . 1 . . . . B 965 HIS HA . 30300 1 1367 . 2 2 37 37 HIS HB2 H 1 3.285 0.03 . 2 . . . . B 965 HIS HB2 . 30300 1 1368 . 2 2 37 37 HIS HB3 H 1 3.164 0.03 . 2 . . . . B 965 HIS HB3 . 30300 1 1369 . 2 2 37 37 HIS C C 13 175.489 0.30 . 1 . . . . B 965 HIS C . 30300 1 1370 . 2 2 37 37 HIS CA C 13 56.095 0.30 . 1 . . . . B 965 HIS CA . 30300 1 1371 . 2 2 37 37 HIS CB C 13 29.918 0.30 . 1 . . . . B 965 HIS CB . 30300 1 1372 . 2 2 37 37 HIS N N 15 118.499 0.30 . 1 . . . . B 965 HIS N . 30300 1 1373 . 2 2 38 38 GLY H H 1 8.453 0.03 . 1 . . . . B 966 GLY H . 30300 1 1374 . 2 2 38 38 GLY HA2 H 1 3.952 0.03 . 2 . . . . B 966 GLY HA2 . 30300 1 1375 . 2 2 38 38 GLY HA3 H 1 3.952 0.03 . 2 . . . . B 966 GLY HA3 . 30300 1 1376 . 2 2 38 38 GLY C C 13 173.933 0.30 . 1 . . . . B 966 GLY C . 30300 1 1377 . 2 2 38 38 GLY CA C 13 45.551 0.30 . 1 . . . . B 966 GLY CA . 30300 1 1378 . 2 2 38 38 GLY N N 15 109.871 0.30 . 1 . . . . B 966 GLY N . 30300 1 1379 . 2 2 39 39 ASP H H 1 8.353 0.03 . 1 . . . . B 967 ASP H . 30300 1 1380 . 2 2 39 39 ASP HA H 1 4.612 0.03 . 1 . . . . B 967 ASP HA . 30300 1 1381 . 2 2 39 39 ASP HB2 H 1 2.745 0.03 . 2 . . . . B 967 ASP HB2 . 30300 1 1382 . 2 2 39 39 ASP HB3 H 1 2.671 0.03 . 2 . . . . B 967 ASP HB3 . 30300 1 1383 . 2 2 39 39 ASP C C 13 176.431 0.30 . 1 . . . . B 967 ASP C . 30300 1 1384 . 2 2 39 39 ASP CA C 13 54.436 0.30 . 1 . . . . B 967 ASP CA . 30300 1 1385 . 2 2 39 39 ASP CB C 13 41.231 0.30 . 1 . . . . B 967 ASP CB . 30300 1 1386 . 2 2 39 39 ASP N N 15 120.652 0.30 . 1 . . . . B 967 ASP N . 30300 1 1387 . 2 2 40 40 LYS H H 1 8.284 0.03 . 1 . . . . B 968 LYS H . 30300 1 1388 . 2 2 40 40 LYS HA H 1 4.306 0.03 . 1 . . . . B 968 LYS HA . 30300 1 1389 . 2 2 40 40 LYS HB2 H 1 1.738 0.03 . 2 . . . . B 968 LYS HB2 . 30300 1 1390 . 2 2 40 40 LYS HB3 H 1 1.829 0.03 . 2 . . . . B 968 LYS HB3 . 30300 1 1391 . 2 2 40 40 LYS HG2 H 1 1.437 0.03 . 2 . . . . B 968 LYS HG2 . 30300 1 1392 . 2 2 40 40 LYS HG3 H 1 1.437 0.03 . 2 . . . . B 968 LYS HG3 . 30300 1 1393 . 2 2 40 40 LYS HD2 H 1 1.701 0.03 . 2 . . . . B 968 LYS HD2 . 30300 1 1394 . 2 2 40 40 LYS HD3 H 1 1.701 0.03 . 2 . . . . B 968 LYS HD3 . 30300 1 1395 . 2 2 40 40 LYS HE2 H 1 3.015 0.03 . 2 . . . . B 968 LYS HE2 . 30300 1 1396 . 2 2 40 40 LYS HE3 H 1 3.015 0.03 . 2 . . . . B 968 LYS HE3 . 30300 1 1397 . 2 2 40 40 LYS C C 13 176.637 0.30 . 1 . . . . B 968 LYS C . 30300 1 1398 . 2 2 40 40 LYS CA C 13 56.453 0.30 . 1 . . . . B 968 LYS CA . 30300 1 1399 . 2 2 40 40 LYS CB C 13 32.704 0.30 . 1 . . . . B 968 LYS CB . 30300 1 1400 . 2 2 40 40 LYS CG C 13 24.801 0.30 . 1 . . . . B 968 LYS CG . 30300 1 1401 . 2 2 40 40 LYS CD C 13 29.166 0.30 . 1 . . . . B 968 LYS CD . 30300 1 1402 . 2 2 40 40 LYS CE C 13 42.264 0.30 . 1 . . . . B 968 LYS CE . 30300 1 1403 . 2 2 40 40 LYS N N 15 121.493 0.30 . 1 . . . . B 968 LYS N . 30300 1 1404 . 2 2 41 41 LYS H H 1 8.346 0.03 . 1 . . . . B 969 LYS H . 30300 1 1405 . 2 2 41 41 LYS HA H 1 4.263 0.03 . 1 . . . . B 969 LYS HA . 30300 1 1406 . 2 2 41 41 LYS HB2 H 1 1.738 0.03 . 2 . . . . B 969 LYS HB2 . 30300 1 1407 . 2 2 41 41 LYS HB3 H 1 1.817 0.03 . 2 . . . . B 969 LYS HB3 . 30300 1 1408 . 2 2 41 41 LYS HG2 H 1 1.437 0.03 . 2 . . . . B 969 LYS HG2 . 30300 1 1409 . 2 2 41 41 LYS HG3 H 1 1.437 0.03 . 2 . . . . B 969 LYS HG3 . 30300 1 1410 . 2 2 41 41 LYS HD2 H 1 1.701 0.03 . 2 . . . . B 969 LYS HD2 . 30300 1 1411 . 2 2 41 41 LYS HD3 H 1 1.701 0.03 . 2 . . . . B 969 LYS HD3 . 30300 1 1412 . 2 2 41 41 LYS HE2 H 1 3.015 0.03 . 2 . . . . B 969 LYS HE2 . 30300 1 1413 . 2 2 41 41 LYS HE3 H 1 3.015 0.03 . 2 . . . . B 969 LYS HE3 . 30300 1 1414 . 2 2 41 41 LYS C C 13 176.628 0.30 . 1 . . . . B 969 LYS C . 30300 1 1415 . 2 2 41 41 LYS CA C 13 56.608 0.30 . 1 . . . . B 969 LYS CA . 30300 1 1416 . 2 2 41 41 LYS CB C 13 32.835 0.30 . 1 . . . . B 969 LYS CB . 30300 1 1417 . 2 2 41 41 LYS CG C 13 24.801 0.30 . 1 . . . . B 969 LYS CG . 30300 1 1418 . 2 2 41 41 LYS CD C 13 29.018 0.30 . 1 . . . . B 969 LYS CD . 30300 1 1419 . 2 2 41 41 LYS CE C 13 42.264 0.30 . 1 . . . . B 969 LYS CE . 30300 1 1420 . 2 2 41 41 LYS N N 15 121.844 0.30 . 1 . . . . B 969 LYS N . 30300 1 1421 . 2 2 42 42 LYS H H 1 8.266 0.03 . 1 . . . . B 970 LYS H . 30300 1 1422 . 2 2 42 42 LYS HA H 1 4.327 0.03 . 1 . . . . B 970 LYS HA . 30300 1 1423 . 2 2 42 42 LYS HB2 H 1 1.836 0.03 . 2 . . . . B 970 LYS HB2 . 30300 1 1424 . 2 2 42 42 LYS HB3 H 1 1.738 0.03 . 2 . . . . B 970 LYS HB3 . 30300 1 1425 . 2 2 42 42 LYS HG2 H 1 1.437 0.03 . 2 . . . . B 970 LYS HG2 . 30300 1 1426 . 2 2 42 42 LYS HG3 H 1 1.437 0.03 . 2 . . . . B 970 LYS HG3 . 30300 1 1427 . 2 2 42 42 LYS HD2 H 1 1.701 0.03 . 2 . . . . B 970 LYS HD2 . 30300 1 1428 . 2 2 42 42 LYS HD3 H 1 1.701 0.03 . 2 . . . . B 970 LYS HD3 . 30300 1 1429 . 2 2 42 42 LYS HE2 H 1 3.015 0.03 . 2 . . . . B 970 LYS HE2 . 30300 1 1430 . 2 2 42 42 LYS HE3 H 1 3.015 0.03 . 2 . . . . B 970 LYS HE3 . 30300 1 1431 . 2 2 42 42 LYS C C 13 176.168 0.30 . 1 . . . . B 970 LYS C . 30300 1 1432 . 2 2 42 42 LYS CA C 13 56.181 0.30 . 1 . . . . B 970 LYS CA . 30300 1 1433 . 2 2 42 42 LYS CB C 13 33.145 0.30 . 1 . . . . B 970 LYS CB . 30300 1 1434 . 2 2 42 42 LYS CG C 13 24.875 0.30 . 1 . . . . B 970 LYS CG . 30300 1 1435 . 2 2 42 42 LYS CD C 13 29.314 0.30 . 1 . . . . B 970 LYS CD . 30300 1 1436 . 2 2 42 42 LYS CE C 13 42.264 0.30 . 1 . . . . B 970 LYS CE . 30300 1 1437 . 2 2 42 42 LYS N N 15 122.120 0.30 . 1 . . . . B 970 LYS N . 30300 1 1438 . 2 2 43 43 GLU H H 1 8.325 0.03 . 1 . . . . B 971 GLU H . 30300 1 1439 . 2 2 43 43 GLU HA H 1 4.606 0.03 . 1 . . . . B 971 GLU HA . 30300 1 1440 . 2 2 43 43 GLU HB2 H 1 2.070 0.03 . 2 . . . . B 971 GLU HB2 . 30300 1 1441 . 2 2 43 43 GLU HB3 H 1 1.904 0.03 . 2 . . . . B 971 GLU HB3 . 30300 1 1442 . 2 2 43 43 GLU HG2 H 1 2.313 0.03 . 2 . . . . B 971 GLU HG2 . 30300 1 1443 . 2 2 43 43 GLU HG3 H 1 2.313 0.03 . 2 . . . . B 971 GLU HG3 . 30300 1 1444 . 2 2 43 43 GLU C C 13 174.502 0.30 . 1 . . . . B 971 GLU C . 30300 1 1445 . 2 2 43 43 GLU CA C 13 54.476 0.30 . 1 . . . . B 971 GLU CA . 30300 1 1446 . 2 2 43 43 GLU CB C 13 29.691 0.30 . 1 . . . . B 971 GLU CB . 30300 1 1447 . 2 2 43 43 GLU CG C 13 36.122 0.30 . 1 . . . . B 971 GLU CG . 30300 1 1448 . 2 2 43 43 GLU N N 15 123.292 0.30 . 1 . . . . B 971 GLU N . 30300 1 1449 . 2 2 44 44 PRO HA H 1 4.495 0.03 . 1 . . . . B 972 PRO HA . 30300 1 1450 . 2 2 44 44 PRO HB2 H 1 1.913 0.03 . 2 . . . . B 972 PRO HB2 . 30300 1 1451 . 2 2 44 44 PRO HB3 H 1 2.302 0.03 . 2 . . . . B 972 PRO HB3 . 30300 1 1452 . 2 2 44 44 PRO HG2 H 1 2.045 0.03 . 2 . . . . B 972 PRO HG2 . 30300 1 1453 . 2 2 44 44 PRO HG3 H 1 2.045 0.03 . 2 . . . . B 972 PRO HG3 . 30300 1 1454 . 2 2 44 44 PRO HD2 H 1 3.691 0.03 . 2 . . . . B 972 PRO HD2 . 30300 1 1455 . 2 2 44 44 PRO HD3 H 1 3.838 0.03 . 2 . . . . B 972 PRO HD3 . 30300 1 1456 . 2 2 44 44 PRO C C 13 176.857 0.30 . 1 . . . . B 972 PRO C . 30300 1 1457 . 2 2 44 44 PRO CA C 13 63.173 0.30 . 1 . . . . B 972 PRO CA . 30300 1 1458 . 2 2 44 44 PRO CB C 13 32.022 0.30 . 1 . . . . B 972 PRO CB . 30300 1 1459 . 2 2 44 44 PRO CG C 13 27.464 0.30 . 1 . . . . B 972 PRO CG . 30300 1 1460 . 2 2 44 44 PRO CD C 13 50.847 0.30 . 1 . . . . B 972 PRO CD . 30300 1 1461 . 2 2 45 45 VAL H H 1 8.287 0.03 . 1 . . . . B 973 VAL H . 30300 1 1462 . 2 2 45 45 VAL HA H 1 4.127 0.03 . 1 . . . . B 973 VAL HA . 30300 1 1463 . 2 2 45 45 VAL HB H 1 2.082 0.03 . 1 . . . . B 973 VAL HB . 30300 1 1464 . 2 2 45 45 VAL HG11 H 1 0.951 0.03 . 2 . . . . B 973 VAL HG11 . 30300 1 1465 . 2 2 45 45 VAL HG12 H 1 0.951 0.03 . 2 . . . . B 973 VAL HG12 . 30300 1 1466 . 2 2 45 45 VAL HG13 H 1 0.951 0.03 . 2 . . . . B 973 VAL HG13 . 30300 1 1467 . 2 2 45 45 VAL HG21 H 1 0.970 0.03 . 2 . . . . B 973 VAL HG21 . 30300 1 1468 . 2 2 45 45 VAL HG22 H 1 0.970 0.03 . 2 . . . . B 973 VAL HG22 . 30300 1 1469 . 2 2 45 45 VAL HG23 H 1 0.970 0.03 . 2 . . . . B 973 VAL HG23 . 30300 1 1470 . 2 2 45 45 VAL C C 13 176.044 0.30 . 1 . . . . B 973 VAL C . 30300 1 1471 . 2 2 45 45 VAL CA C 13 62.320 0.30 . 1 . . . . B 973 VAL CA . 30300 1 1472 . 2 2 45 45 VAL CB C 13 32.647 0.30 . 1 . . . . B 973 VAL CB . 30300 1 1473 . 2 2 45 45 VAL CG1 C 13 21.107 0.30 . 2 . . . . B 973 VAL CG1 . 30300 1 1474 . 2 2 45 45 VAL CG2 C 13 20.657 0.30 . 2 . . . . B 973 VAL CG2 . 30300 1 1475 . 2 2 45 45 VAL N N 15 120.450 0.30 . 1 . . . . B 973 VAL N . 30300 1 1476 . 2 2 46 46 ASN H H 1 8.561 0.03 . 1 . . . . B 974 ASN H . 30300 1 1477 . 2 2 46 46 ASN HA H 1 4.748 0.03 . 1 . . . . B 974 ASN HA . 30300 1 1478 . 2 2 46 46 ASN HB2 H 1 2.899 0.03 . 2 . . . . B 974 ASN HB2 . 30300 1 1479 . 2 2 46 46 ASN HB3 H 1 2.819 0.03 . 2 . . . . B 974 ASN HB3 . 30300 1 1480 . 2 2 46 46 ASN C C 13 175.593 0.30 . 1 . . . . B 974 ASN C . 30300 1 1481 . 2 2 46 46 ASN CA C 13 53.452 0.30 . 1 . . . . B 974 ASN CA . 30300 1 1482 . 2 2 46 46 ASN CB C 13 39.070 0.30 . 1 . . . . B 974 ASN CB . 30300 1 1483 . 2 2 46 46 ASN N N 15 122.156 0.30 . 1 . . . . B 974 ASN N . 30300 1 1484 . 2 2 47 47 GLY H H 1 8.438 0.03 . 1 . . . . B 975 GLY H . 30300 1 1485 . 2 2 47 47 GLY HA2 H 1 4.010 0.03 . 2 . . . . B 975 GLY HA2 . 30300 1 1486 . 2 2 47 47 GLY HA3 H 1 4.010 0.03 . 2 . . . . B 975 GLY HA3 . 30300 1 1487 . 2 2 47 47 GLY C C 13 174.075 0.30 . 1 . . . . B 975 GLY C . 30300 1 1488 . 2 2 47 47 GLY CA C 13 45.494 0.30 . 1 . . . . B 975 GLY CA . 30300 1 1489 . 2 2 47 47 GLY N N 15 109.240 0.30 . 1 . . . . B 975 GLY N . 30300 1 1490 . 2 2 48 48 CYS H H 1 8.371 0.03 . 1 . . . . B 976 CYS H . 30300 1 1491 . 2 2 48 48 CYS HA H 1 4.708 0.03 . 1 . . . . B 976 CYS HA . 30300 1 1492 . 2 2 48 48 CYS HB2 H 1 3.024 0.03 . 2 . . . . B 976 CYS HB2 . 30300 1 1493 . 2 2 48 48 CYS HB3 H 1 3.224 0.03 . 2 . . . . B 976 CYS HB3 . 30300 1 1494 . 2 2 48 48 CYS C C 13 174.407 0.30 . 1 . . . . B 976 CYS C . 30300 1 1495 . 2 2 48 48 CYS CA C 13 55.786 0.30 . 1 . . . . B 976 CYS CA . 30300 1 1496 . 2 2 48 48 CYS CB C 13 40.946 0.30 . 1 . . . . B 976 CYS CB . 30300 1 1497 . 2 2 48 48 CYS N N 15 118.227 0.30 . 1 . . . . B 976 CYS N . 30300 1 1498 . 2 2 49 49 ASN H H 1 8.649 0.03 . 1 . . . . B 977 ASN H . 30300 1 1499 . 2 2 49 49 ASN HA H 1 4.823 0.03 . 1 . . . . B 977 ASN HA . 30300 1 1500 . 2 2 49 49 ASN HB2 H 1 2.819 0.03 . 2 . . . . B 977 ASN HB2 . 30300 1 1501 . 2 2 49 49 ASN HB3 H 1 2.880 0.03 . 2 . . . . B 977 ASN HB3 . 30300 1 1502 . 2 2 49 49 ASN C C 13 175.230 0.30 . 1 . . . . B 977 ASN C . 30300 1 1503 . 2 2 49 49 ASN CA C 13 53.452 0.30 . 1 . . . . B 977 ASN CA . 30300 1 1504 . 2 2 49 49 ASN CB C 13 38.843 0.30 . 1 . . . . B 977 ASN CB . 30300 1 1505 . 2 2 49 49 ASN N N 15 120.649 0.30 . 1 . . . . B 977 ASN N . 30300 1 1506 . 2 2 50 50 THR H H 1 8.202 0.03 . 1 . . . . B 978 THR H . 30300 1 1507 . 2 2 50 50 THR HA H 1 4.326 0.03 . 1 . . . . B 978 THR HA . 30300 1 1508 . 2 2 50 50 THR HB H 1 4.078 0.03 . 1 . . . . B 978 THR HB . 30300 1 1509 . 2 2 50 50 THR HG21 H 1 1.225 0.03 . 1 . . . . B 978 THR HG21 . 30300 1 1510 . 2 2 50 50 THR HG22 H 1 1.225 0.03 . 1 . . . . B 978 THR HG22 . 30300 1 1511 . 2 2 50 50 THR HG23 H 1 1.225 0.03 . 1 . . . . B 978 THR HG23 . 30300 1 1512 . 2 2 50 50 THR C C 13 175.231 0.30 . 1 . . . . B 978 THR C . 30300 1 1513 . 2 2 50 50 THR CA C 13 62.234 0.30 . 1 . . . . B 978 THR CA . 30300 1 1514 . 2 2 50 50 THR CB C 13 69.767 0.30 . 1 . . . . B 978 THR CB . 30300 1 1515 . 2 2 50 50 THR CG2 C 13 21.727 0.30 . 1 . . . . B 978 THR CG2 . 30300 1 1516 . 2 2 50 50 THR N N 15 113.795 0.30 . 1 . . . . B 978 THR N . 30300 1 1517 . 2 2 51 51 GLY H H 1 8.445 0.03 . 1 . . . . B 979 GLY H . 30300 1 1518 . 2 2 51 51 GLY HA2 H 1 3.973 0.03 . 2 . . . . B 979 GLY HA2 . 30300 1 1519 . 2 2 51 51 GLY HA3 H 1 3.973 0.03 . 2 . . . . B 979 GLY HA3 . 30300 1 1520 . 2 2 51 51 GLY C C 13 173.711 0.30 . 1 . . . . B 979 GLY C . 30300 1 1521 . 2 2 51 51 GLY CA C 13 45.380 0.30 . 1 . . . . B 979 GLY CA . 30300 1 1522 . 2 2 51 51 GLY N N 15 110.871 0.30 . 1 . . . . B 979 GLY N . 30300 1 1523 . 2 2 52 52 ILE H H 1 7.906 0.03 . 1 . . . . B 980 ILE H . 30300 1 1524 . 2 2 52 52 ILE HA H 1 4.193 0.03 . 1 . . . . B 980 ILE HA . 30300 1 1525 . 2 2 52 52 ILE HB H 1 1.849 0.03 . 1 . . . . B 980 ILE HB . 30300 1 1526 . 2 2 52 52 ILE HG12 H 1 1.173 0.03 . 2 . . . . B 980 ILE HG12 . 30300 1 1527 . 2 2 52 52 ILE HG13 H 1 1.443 0.03 . 2 . . . . B 980 ILE HG13 . 30300 1 1528 . 2 2 52 52 ILE HG21 H 1 0.897 0.03 . 1 . . . . B 980 ILE HG21 . 30300 1 1529 . 2 2 52 52 ILE HG22 H 1 0.897 0.03 . 1 . . . . B 980 ILE HG22 . 30300 1 1530 . 2 2 52 52 ILE HG23 H 1 0.897 0.03 . 1 . . . . B 980 ILE HG23 . 30300 1 1531 . 2 2 52 52 ILE HD11 H 1 0.860 0.03 . 1 . . . . B 980 ILE HD11 . 30300 1 1532 . 2 2 52 52 ILE HD12 H 1 0.860 0.03 . 1 . . . . B 980 ILE HD12 . 30300 1 1533 . 2 2 52 52 ILE HD13 H 1 0.860 0.03 . 1 . . . . B 980 ILE HD13 . 30300 1 1534 . 2 2 52 52 ILE C C 13 176.027 0.30 . 1 . . . . B 980 ILE C . 30300 1 1535 . 2 2 52 52 ILE CA C 13 60.973 0.30 . 1 . . . . B 980 ILE CA . 30300 1 1536 . 2 2 52 52 ILE CB C 13 38.750 0.30 . 1 . . . . B 980 ILE CB . 30300 1 1537 . 2 2 52 52 ILE CG1 C 13 27.094 0.30 . 1 . . . . B 980 ILE CG1 . 30300 1 1538 . 2 2 52 52 ILE CG2 C 13 17.549 0.30 . 1 . . . . B 980 ILE CG2 . 30300 1 1539 . 2 2 52 52 ILE CD1 C 13 12.961 0.30 . 1 . . . . B 980 ILE CD1 . 30300 1 1540 . 2 2 52 52 ILE N N 15 119.618 0.30 . 1 . . . . B 980 ILE N . 30300 1 1541 . 2 2 53 53 LEU H H 1 8.327 0.03 . 1 . . . . B 981 LEU H . 30300 1 1542 . 2 2 53 53 LEU HA H 1 4.669 0.03 . 1 . . . . B 981 LEU HA . 30300 1 1543 . 2 2 53 53 LEU HB2 H 1 1.609 0.03 . 2 . . . . B 981 LEU HB2 . 30300 1 1544 . 2 2 53 53 LEU HB3 H 1 1.609 0.03 . 2 . . . . B 981 LEU HB3 . 30300 1 1545 . 2 2 53 53 LEU HG H 1 1.634 0.03 . 1 . . . . B 981 LEU HG . 30300 1 1546 . 2 2 53 53 LEU HD11 H 1 0.928 0.03 . 2 . . . . B 981 LEU HD11 . 30300 1 1547 . 2 2 53 53 LEU HD12 H 1 0.928 0.03 . 2 . . . . B 981 LEU HD12 . 30300 1 1548 . 2 2 53 53 LEU HD13 H 1 0.928 0.03 . 2 . . . . B 981 LEU HD13 . 30300 1 1549 . 2 2 53 53 LEU HD21 H 1 0.915 0.03 . 2 . . . . B 981 LEU HD21 . 30300 1 1550 . 2 2 53 53 LEU HD22 H 1 0.915 0.03 . 2 . . . . B 981 LEU HD22 . 30300 1 1551 . 2 2 53 53 LEU HD23 H 1 0.915 0.03 . 2 . . . . B 981 LEU HD23 . 30300 1 1552 . 2 2 53 53 LEU C C 13 175.056 0.30 . 1 . . . . B 981 LEU C . 30300 1 1553 . 2 2 53 53 LEU CA C 13 52.964 0.30 . 1 . . . . B 981 LEU CA . 30300 1 1554 . 2 2 53 53 LEU CB C 13 41.749 0.30 . 1 . . . . B 981 LEU CB . 30300 1 1555 . 2 2 53 53 LEU CG C 13 27.020 0.30 . 1 . . . . B 981 LEU CG . 30300 1 1556 . 2 2 53 53 LEU CD1 C 13 25.171 0.30 . 2 . . . . B 981 LEU CD1 . 30300 1 1557 . 2 2 53 53 LEU CD2 C 13 23.469 0.30 . 2 . . . . B 981 LEU CD2 . 30300 1 1558 . 2 2 53 53 LEU N N 15 127.775 0.30 . 1 . . . . B 981 LEU N . 30300 1 1559 . 2 2 54 54 PRO HA H 1 4.432 0.03 . 1 . . . . B 982 PRO HA . 30300 1 1560 . 2 2 54 54 PRO HB2 H 1 1.922 0.03 . 2 . . . . B 982 PRO HB2 . 30300 1 1561 . 2 2 54 54 PRO HB3 H 1 2.303 0.03 . 2 . . . . B 982 PRO HB3 . 30300 1 1562 . 2 2 54 54 PRO HG2 H 1 2.045 0.03 . 2 . . . . B 982 PRO HG2 . 30300 1 1563 . 2 2 54 54 PRO HG3 H 1 2.045 0.03 . 2 . . . . B 982 PRO HG3 . 30300 1 1564 . 2 2 54 54 PRO HD2 H 1 3.814 0.03 . 2 . . . . B 982 PRO HD2 . 30300 1 1565 . 2 2 54 54 PRO HD3 H 1 3.703 0.03 . 2 . . . . B 982 PRO HD3 . 30300 1 1566 . 2 2 54 54 PRO C C 13 176.542 0.30 . 1 . . . . B 982 PRO C . 30300 1 1567 . 2 2 54 54 PRO CA C 13 62.916 0.30 . 1 . . . . B 982 PRO CA . 30300 1 1568 . 2 2 54 54 PRO CB C 13 32.022 0.30 . 1 . . . . B 982 PRO CB . 30300 1 1569 . 2 2 54 54 PRO CG C 13 27.464 0.30 . 1 . . . . B 982 PRO CG . 30300 1 1570 . 2 2 54 54 PRO CD C 13 50.847 0.30 . 1 . . . . B 982 PRO CD . 30300 1 1571 . 2 2 55 55 GLN H H 1 8.395 0.03 . 1 . . . . B 983 GLN H . 30300 1 1572 . 2 2 55 55 GLN HA H 1 4.618 0.03 . 1 . . . . B 983 GLN HA . 30300 1 1573 . 2 2 55 55 GLN HB2 H 1 1.938 0.03 . 2 . . . . B 983 GLN HB2 . 30300 1 1574 . 2 2 55 55 GLN HB3 H 1 2.112 0.03 . 2 . . . . B 983 GLN HB3 . 30300 1 1575 . 2 2 55 55 GLN HG2 H 1 2.437 0.03 . 2 . . . . B 983 GLN HG2 . 30300 1 1576 . 2 2 55 55 GLN HG3 H 1 2.437 0.03 . 2 . . . . B 983 GLN HG3 . 30300 1 1577 . 2 2 55 55 GLN C C 13 174.060 0.30 . 1 . . . . B 983 GLN C . 30300 1 1578 . 2 2 55 55 GLN CA C 13 53.509 0.30 . 1 . . . . B 983 GLN CA . 30300 1 1579 . 2 2 55 55 GLN CB C 13 29.179 0.30 . 1 . . . . B 983 GLN CB . 30300 1 1580 . 2 2 55 55 GLN CG C 13 33.532 0.30 . 1 . . . . B 983 GLN CG . 30300 1 1581 . 2 2 55 55 GLN N N 15 121.566 0.30 . 1 . . . . B 983 GLN N . 30300 1 1582 . 2 2 56 56 PRO HA H 1 4.839 0.03 . 1 . . . . B 984 PRO HA . 30300 1 1583 . 2 2 56 56 PRO HB2 H 1 1.947 0.03 . 2 . . . . B 984 PRO HB2 . 30300 1 1584 . 2 2 56 56 PRO HB3 H 1 2.315 0.03 . 2 . . . . B 984 PRO HB3 . 30300 1 1585 . 2 2 56 56 PRO HG2 H 1 2.033 0.03 . 2 . . . . B 984 PRO HG2 . 30300 1 1586 . 2 2 56 56 PRO HG3 H 1 2.033 0.03 . 2 . . . . B 984 PRO HG3 . 30300 1 1587 . 2 2 56 56 PRO HD2 H 1 3.906 0.03 . 2 . . . . B 984 PRO HD2 . 30300 1 1588 . 2 2 56 56 PRO HD3 H 1 3.906 0.03 . 2 . . . . B 984 PRO HD3 . 30300 1 1589 . 2 2 56 56 PRO C C 13 176.415 0.30 . 1 . . . . B 984 PRO C . 30300 1 1590 . 2 2 56 56 PRO CA C 13 62.076 0.30 . 1 . . . . B 984 PRO CA . 30300 1 1591 . 2 2 56 56 PRO CB C 13 32.364 0.30 . 1 . . . . B 984 PRO CB . 30300 1 1592 . 2 2 56 56 PRO CG C 13 27.242 0.30 . 1 . . . . B 984 PRO CG . 30300 1 1593 . 2 2 56 56 PRO CD C 13 50.773 0.30 . 1 . . . . B 984 PRO CD . 30300 1 1594 . 2 2 57 57 VAL H H 1 8.524 0.03 . 1 . . . . B 985 VAL H . 30300 1 1595 . 2 2 57 57 VAL HA H 1 4.114 0.03 . 1 . . . . B 985 VAL HA . 30300 1 1596 . 2 2 57 57 VAL HB H 1 2.091 0.03 . 1 . . . . B 985 VAL HB . 30300 1 1597 . 2 2 57 57 VAL HG11 H 1 0.964 0.03 . 2 . . . . B 985 VAL HG11 . 30300 1 1598 . 2 2 57 57 VAL HG12 H 1 0.964 0.03 . 2 . . . . B 985 VAL HG12 . 30300 1 1599 . 2 2 57 57 VAL HG13 H 1 0.964 0.03 . 2 . . . . B 985 VAL HG13 . 30300 1 1600 . 2 2 57 57 VAL HG21 H 1 0.964 0.03 . 2 . . . . B 985 VAL HG21 . 30300 1 1601 . 2 2 57 57 VAL HG22 H 1 0.964 0.03 . 2 . . . . B 985 VAL HG22 . 30300 1 1602 . 2 2 57 57 VAL HG23 H 1 0.964 0.03 . 2 . . . . B 985 VAL HG23 . 30300 1 1603 . 2 2 57 57 VAL C C 13 176.804 0.30 . 1 . . . . B 985 VAL C . 30300 1 1604 . 2 2 57 57 VAL CA C 13 62.539 0.30 . 1 . . . . B 985 VAL CA . 30300 1 1605 . 2 2 57 57 VAL CB C 13 32.703 0.30 . 1 . . . . B 985 VAL CB . 30300 1 1606 . 2 2 57 57 VAL CG1 C 13 21.136 0.30 . 2 . . . . B 985 VAL CG1 . 30300 1 1607 . 2 2 57 57 VAL CG2 C 13 21.136 0.30 . 2 . . . . B 985 VAL CG2 . 30300 1 1608 . 2 2 57 57 VAL N N 15 121.387 0.30 . 1 . . . . B 985 VAL N . 30300 1 1609 . 2 2 58 58 GLY H H 1 8.550 0.03 . 1 . . . . B 986 GLY H . 30300 1 1610 . 2 2 58 58 GLY HA2 H 1 4.064 0.03 . 2 . . . . B 986 GLY HA2 . 30300 1 1611 . 2 2 58 58 GLY HA3 H 1 4.064 0.03 . 2 . . . . B 986 GLY HA3 . 30300 1 1612 . 2 2 58 58 GLY C C 13 174.065 0.30 . 1 . . . . B 986 GLY C . 30300 1 1613 . 2 2 58 58 GLY CA C 13 45.327 0.30 . 1 . . . . B 986 GLY CA . 30300 1 1614 . 2 2 58 58 GLY N N 15 112.598 0.30 . 1 . . . . B 986 GLY N . 30300 1 1615 . 2 2 59 59 THR H H 1 8.064 0.03 . 1 . . . . B 987 THR H . 30300 1 1616 . 2 2 59 59 THR HA H 1 4.335 0.03 . 1 . . . . B 987 THR HA . 30300 1 1617 . 2 2 59 59 THR HB H 1 4.319 0.03 . 1 . . . . B 987 THR HB . 30300 1 1618 . 2 2 59 59 THR HG21 H 1 1.276 0.03 . 1 . . . . B 987 THR HG21 . 30300 1 1619 . 2 2 59 59 THR HG22 H 1 1.276 0.03 . 1 . . . . B 987 THR HG22 . 30300 1 1620 . 2 2 59 59 THR HG23 H 1 1.276 0.03 . 1 . . . . B 987 THR HG23 . 30300 1 1621 . 2 2 59 59 THR C C 13 174.127 0.30 . 1 . . . . B 987 THR C . 30300 1 1622 . 2 2 59 59 THR CA C 13 62.242 0.30 . 1 . . . . B 987 THR CA . 30300 1 1623 . 2 2 59 59 THR CB C 13 69.985 0.30 . 1 . . . . B 987 THR CB . 30300 1 1624 . 2 2 59 59 THR CG2 C 13 21.496 0.30 . 1 . . . . B 987 THR CG2 . 30300 1 1625 . 2 2 59 59 THR N N 15 114.849 0.30 . 1 . . . . B 987 THR N . 30300 1 1626 . 2 2 60 60 VAL H H 1 8.278 0.03 . 1 . . . . B 988 VAL H . 30300 1 1627 . 2 2 60 60 VAL HA H 1 4.166 0.03 . 1 . . . . B 988 VAL HA . 30300 1 1628 . 2 2 60 60 VAL HB H 1 2.094 0.03 . 1 . . . . B 988 VAL HB . 30300 1 1629 . 2 2 60 60 VAL HG11 H 1 0.970 0.03 . 2 . . . . B 988 VAL HG11 . 30300 1 1630 . 2 2 60 60 VAL HG12 H 1 0.970 0.03 . 2 . . . . B 988 VAL HG12 . 30300 1 1631 . 2 2 60 60 VAL HG13 H 1 0.970 0.03 . 2 . . . . B 988 VAL HG13 . 30300 1 1632 . 2 2 60 60 VAL HG21 H 1 0.958 0.03 . 2 . . . . B 988 VAL HG21 . 30300 1 1633 . 2 2 60 60 VAL HG22 H 1 0.958 0.03 . 2 . . . . B 988 VAL HG22 . 30300 1 1634 . 2 2 60 60 VAL HG23 H 1 0.958 0.03 . 2 . . . . B 988 VAL HG23 . 30300 1 1635 . 2 2 60 60 VAL C C 13 175.388 0.30 . 1 . . . . B 988 VAL C . 30300 1 1636 . 2 2 60 60 VAL CA C 13 62.375 0.30 . 1 . . . . B 988 VAL CA . 30300 1 1637 . 2 2 60 60 VAL CB C 13 32.902 0.30 . 1 . . . . B 988 VAL CB . 30300 1 1638 . 2 2 60 60 VAL CG1 C 13 20.547 0.30 . 2 . . . . B 988 VAL CG1 . 30300 1 1639 . 2 2 60 60 VAL CG2 C 13 21.249 0.30 . 2 . . . . B 988 VAL CG2 . 30300 1 1640 . 2 2 60 60 VAL N N 15 124.119 0.30 . 1 . . . . B 988 VAL N . 30300 1 1641 . 2 2 61 61 LEU H H 1 8.444 0.03 . 1 . . . . B 989 LEU H . 30300 1 1642 . 2 2 61 61 LEU HA H 1 4.421 0.03 . 1 . . . . B 989 LEU HA . 30300 1 1643 . 2 2 61 61 LEU HB2 H 1 1.634 0.03 . 2 . . . . B 989 LEU HB2 . 30300 1 1644 . 2 2 61 61 LEU HB3 H 1 1.634 0.03 . 2 . . . . B 989 LEU HB3 . 30300 1 1645 . 2 2 61 61 LEU HG H 1 1.640 0.03 . 1 . . . . B 989 LEU HG . 30300 1 1646 . 2 2 61 61 LEU HD11 H 1 0.940 0.03 . 2 . . . . B 989 LEU HD11 . 30300 1 1647 . 2 2 61 61 LEU HD12 H 1 0.940 0.03 . 2 . . . . B 989 LEU HD12 . 30300 1 1648 . 2 2 61 61 LEU HD13 H 1 0.940 0.03 . 2 . . . . B 989 LEU HD13 . 30300 1 1649 . 2 2 61 61 LEU HD21 H 1 0.872 0.03 . 2 . . . . B 989 LEU HD21 . 30300 1 1650 . 2 2 61 61 LEU HD22 H 1 0.872 0.03 . 2 . . . . B 989 LEU HD22 . 30300 1 1651 . 2 2 61 61 LEU HD23 H 1 0.872 0.03 . 2 . . . . B 989 LEU HD23 . 30300 1 1652 . 2 2 61 61 LEU C C 13 176.504 0.30 . 1 . . . . B 989 LEU C . 30300 1 1653 . 2 2 61 61 LEU CA C 13 54.930 0.30 . 1 . . . . B 989 LEU CA . 30300 1 1654 . 2 2 61 61 LEU CB C 13 42.481 0.30 . 1 . . . . B 989 LEU CB . 30300 1 1655 . 2 2 61 61 LEU CG C 13 26.798 0.30 . 1 . . . . B 989 LEU CG . 30300 1 1656 . 2 2 61 61 LEU CD1 C 13 24.875 0.30 . 2 . . . . B 989 LEU CD1 . 30300 1 1657 . 2 2 61 61 LEU CD2 C 13 23.691 0.30 . 2 . . . . B 989 LEU CD2 . 30300 1 1658 . 2 2 61 61 LEU N N 15 127.120 0.30 . 1 . . . . B 989 LEU N . 30300 1 1659 . 2 2 62 62 LEU H H 1 8.281 0.03 . 1 . . . . B 990 LEU H . 30300 1 1660 . 2 2 62 62 LEU HA H 1 4.340 0.03 . 1 . . . . B 990 LEU HA . 30300 1 1661 . 2 2 62 62 LEU HB2 H 1 1.640 0.03 . 2 . . . . B 990 LEU HB2 . 30300 1 1662 . 2 2 62 62 LEU HB3 H 1 1.640 0.03 . 2 . . . . B 990 LEU HB3 . 30300 1 1663 . 2 2 62 62 LEU HG H 1 1.628 0.03 . 1 . . . . B 990 LEU HG . 30300 1 1664 . 2 2 62 62 LEU HD11 H 1 0.921 0.03 . 2 . . . . B 990 LEU HD11 . 30300 1 1665 . 2 2 62 62 LEU HD12 H 1 0.921 0.03 . 2 . . . . B 990 LEU HD12 . 30300 1 1666 . 2 2 62 62 LEU HD13 H 1 0.921 0.03 . 2 . . . . B 990 LEU HD13 . 30300 1 1667 . 2 2 62 62 LEU HD21 H 1 0.872 0.03 . 2 . . . . B 990 LEU HD21 . 30300 1 1668 . 2 2 62 62 LEU HD22 H 1 0.872 0.03 . 2 . . . . B 990 LEU HD22 . 30300 1 1669 . 2 2 62 62 LEU HD23 H 1 0.872 0.03 . 2 . . . . B 990 LEU HD23 . 30300 1 1670 . 2 2 62 62 LEU C C 13 174.651 0.30 . 1 . . . . B 990 LEU C . 30300 1 1671 . 2 2 62 62 LEU CA C 13 55.231 0.30 . 1 . . . . B 990 LEU CA . 30300 1 1672 . 2 2 62 62 LEU CB C 13 42.471 0.30 . 1 . . . . B 990 LEU CB . 30300 1 1673 . 2 2 62 62 LEU CG C 13 26.946 0.30 . 1 . . . . B 990 LEU CG . 30300 1 1674 . 2 2 62 62 LEU CD1 C 13 24.875 0.30 . 2 . . . . B 990 LEU CD1 . 30300 1 1675 . 2 2 62 62 LEU CD2 C 13 23.617 0.30 . 2 . . . . B 990 LEU CD2 . 30300 1 1676 . 2 2 62 62 LEU N N 15 124.408 0.30 . 1 . . . . B 990 LEU N . 30300 1 1677 . 2 2 63 63 GLN H H 1 8.346 0.03 . 1 . . . . B 991 GLN H . 30300 1 1678 . 2 2 63 63 GLN HA H 1 4.356 0.03 . 1 . . . . B 991 GLN HA . 30300 1 1679 . 2 2 63 63 GLN HB2 H 1 2.028 0.03 . 2 . . . . B 991 GLN HB2 . 30300 1 1680 . 2 2 63 63 GLN HB3 H 1 2.028 0.03 . 2 . . . . B 991 GLN HB3 . 30300 1 1681 . 2 2 63 63 GLN HG2 H 1 2.301 0.03 . 2 . . . . B 991 GLN HG2 . 30300 1 1682 . 2 2 63 63 GLN HG3 H 1 2.301 0.03 . 2 . . . . B 991 GLN HG3 . 30300 1 1683 . 2 2 63 63 GLN C C 13 176.194 0.30 . 1 . . . . B 991 GLN C . 30300 1 1684 . 2 2 63 63 GLN CA C 13 55.407 0.30 . 1 . . . . B 991 GLN CA . 30300 1 1685 . 2 2 63 63 GLN CB C 13 29.479 0.30 . 1 . . . . B 991 GLN CB . 30300 1 1686 . 2 2 63 63 GLN CG C 13 33.828 0.30 . 1 . . . . B 991 GLN CG . 30300 1 1687 . 2 2 63 63 GLN N N 15 121.844 0.30 . 1 . . . . B 991 GLN N . 30300 1 1688 . 2 2 64 64 ILE H H 1 8.295 0.03 . 1 . . . . B 992 ILE H . 30300 1 1689 . 2 2 64 64 ILE HA H 1 4.503 0.03 . 1 . . . . B 992 ILE HA . 30300 1 1690 . 2 2 64 64 ILE HB H 1 1.892 0.03 . 1 . . . . B 992 ILE HB . 30300 1 1691 . 2 2 64 64 ILE HG12 H 1 1.204 0.03 . 2 . . . . B 992 ILE HG12 . 30300 1 1692 . 2 2 64 64 ILE HG13 H 1 1.519 0.03 . 2 . . . . B 992 ILE HG13 . 30300 1 1693 . 2 2 64 64 ILE HD11 H 1 0.885 0.03 . 1 . . . . B 992 ILE HD11 . 30300 1 1694 . 2 2 64 64 ILE HD12 H 1 0.885 0.03 . 1 . . . . B 992 ILE HD12 . 30300 1 1695 . 2 2 64 64 ILE HD13 H 1 0.885 0.03 . 1 . . . . B 992 ILE HD13 . 30300 1 1696 . 2 2 64 64 ILE C C 13 176.336 0.30 . 1 . . . . B 992 ILE C . 30300 1 1697 . 2 2 64 64 ILE CA C 13 58.910 0.30 . 1 . . . . B 992 ILE CA . 30300 1 1698 . 2 2 64 64 ILE CB C 13 38.750 0.30 . 1 . . . . B 992 ILE CB . 30300 1 1699 . 2 2 64 64 ILE CG1 C 13 26.886 0.30 . 1 . . . . B 992 ILE CG1 . 30300 1 1700 . 2 2 64 64 ILE CG2 C 13 17.031 0.30 . 1 . . . . B 992 ILE CG2 . 30300 1 1701 . 2 2 64 64 ILE CD1 C 13 12.517 0.30 . 1 . . . . B 992 ILE CD1 . 30300 1 1702 . 2 2 64 64 ILE N N 15 124.563 0.30 . 1 . . . . B 992 ILE N . 30300 1 1703 . 2 2 65 65 PRO HA H 1 4.421 0.03 . 1 . . . . B 993 PRO HA . 30300 1 1704 . 2 2 65 65 PRO HB2 H 1 1.902 0.03 . 2 . . . . B 993 PRO HB2 . 30300 1 1705 . 2 2 65 65 PRO HB3 H 1 2.302 0.03 . 2 . . . . B 993 PRO HB3 . 30300 1 1706 . 2 2 65 65 PRO HG2 H 1 2.045 0.03 . 2 . . . . B 993 PRO HG2 . 30300 1 1707 . 2 2 65 65 PRO HG3 H 1 2.045 0.03 . 2 . . . . B 993 PRO HG3 . 30300 1 1708 . 2 2 65 65 PRO HD2 H 1 3.869 0.03 . 2 . . . . B 993 PRO HD2 . 30300 1 1709 . 2 2 65 65 PRO HD3 H 1 3.869 0.03 . 2 . . . . B 993 PRO HD3 . 30300 1 1710 . 2 2 65 65 PRO C C 13 176.526 0.30 . 1 . . . . B 993 PRO C . 30300 1 1711 . 2 2 65 65 PRO CA C 13 63.173 0.30 . 1 . . . . B 993 PRO CA . 30300 1 1712 . 2 2 65 65 PRO CB C 13 32.135 0.30 . 1 . . . . B 993 PRO CB . 30300 1 1713 . 2 2 65 65 PRO CG C 13 27.464 0.30 . 1 . . . . B 993 PRO CG . 30300 1 1714 . 2 2 65 65 PRO CD C 13 50.847 0.30 . 1 . . . . B 993 PRO CD . 30300 1 1715 . 2 2 66 66 GLU H H 1 8.476 0.03 . 1 . . . . B 994 GLU H . 30300 1 1716 . 2 2 66 66 GLU HA H 1 4.575 0.03 . 1 . . . . B 994 GLU HA . 30300 1 1717 . 2 2 66 66 GLU HB2 H 1 2.065 0.03 . 2 . . . . B 994 GLU HB2 . 30300 1 1718 . 2 2 66 66 GLU HB3 H 1 1.919 0.03 . 2 . . . . B 994 GLU HB3 . 30300 1 1719 . 2 2 66 66 GLU HG2 H 1 2.358 0.03 . 2 . . . . B 994 GLU HG2 . 30300 1 1720 . 2 2 66 66 GLU HG3 H 1 2.358 0.03 . 2 . . . . B 994 GLU HG3 . 30300 1 1721 . 2 2 66 66 GLU C C 13 174.850 0.30 . 1 . . . . B 994 GLU C . 30300 1 1722 . 2 2 66 66 GLU CA C 13 54.476 0.30 . 1 . . . . B 994 GLU CA . 30300 1 1723 . 2 2 66 66 GLU CB C 13 29.634 0.30 . 1 . . . . B 994 GLU CB . 30300 1 1724 . 2 2 66 66 GLU CG C 13 36.048 0.30 . 1 . . . . B 994 GLU CG . 30300 1 1725 . 2 2 66 66 GLU N N 15 122.683 0.30 . 1 . . . . B 994 GLU N . 30300 1 1726 . 2 2 67 67 PRO HA H 1 4.418 0.03 . 1 . . . . B 995 PRO HA . 30300 1 1727 . 2 2 67 67 PRO HB2 H 1 1.933 0.03 . 2 . . . . B 995 PRO HB2 . 30300 1 1728 . 2 2 67 67 PRO HB3 H 1 2.302 0.03 . 2 . . . . B 995 PRO HB3 . 30300 1 1729 . 2 2 67 67 PRO HG2 H 1 2.045 0.03 . 2 . . . . B 995 PRO HG2 . 30300 1 1730 . 2 2 67 67 PRO HG3 H 1 2.045 0.03 . 2 . . . . B 995 PRO HG3 . 30300 1 1731 . 2 2 67 67 PRO HD2 H 1 3.844 0.03 . 2 . . . . B 995 PRO HD2 . 30300 1 1732 . 2 2 67 67 PRO HD3 H 1 3.844 0.03 . 2 . . . . B 995 PRO HD3 . 30300 1 1733 . 2 2 67 67 PRO C C 13 176.969 0.30 . 1 . . . . B 995 PRO C . 30300 1 1734 . 2 2 67 67 PRO CA C 13 63.455 0.30 . 1 . . . . B 995 PRO CA . 30300 1 1735 . 2 2 67 67 PRO CB C 13 32.078 0.30 . 1 . . . . B 995 PRO CB . 30300 1 1736 . 2 2 67 67 PRO CG C 13 27.464 0.30 . 1 . . . . B 995 PRO CG . 30300 1 1737 . 2 2 67 67 PRO CD C 13 50.847 0.30 . 1 . . . . B 995 PRO CD . 30300 1 1738 . 2 2 68 68 GLN H H 1 8.561 0.03 . 1 . . . . B 996 GLN H . 30300 1 1739 . 2 2 68 68 GLN HA H 1 4.358 0.03 . 1 . . . . B 996 GLN HA . 30300 1 1740 . 2 2 68 68 GLN HB2 H 1 2.033 0.03 . 2 . . . . B 996 GLN HB2 . 30300 1 1741 . 2 2 68 68 GLN HB3 H 1 2.131 0.03 . 2 . . . . B 996 GLN HB3 . 30300 1 1742 . 2 2 68 68 GLN HG2 H 1 2.395 0.03 . 2 . . . . B 996 GLN HG2 . 30300 1 1743 . 2 2 68 68 GLN HG3 H 1 2.395 0.03 . 2 . . . . B 996 GLN HG3 . 30300 1 1744 . 2 2 68 68 GLN C C 13 176.146 0.30 . 1 . . . . B 996 GLN C . 30300 1 1745 . 2 2 68 68 GLN CA C 13 55.849 0.30 . 1 . . . . B 996 GLN CA . 30300 1 1746 . 2 2 68 68 GLN CB C 13 29.634 0.30 . 1 . . . . B 996 GLN CB . 30300 1 1747 . 2 2 68 68 GLN CG C 13 33.828 0.30 . 1 . . . . B 996 GLN CG . 30300 1 1748 . 2 2 68 68 GLN N N 15 120.658 0.30 . 1 . . . . B 996 GLN N . 30300 1 1749 . 2 2 69 69 GLU H H 1 8.527 0.03 . 1 . . . . B 997 GLU H . 30300 1 1750 . 2 2 69 69 GLU HA H 1 4.354 0.03 . 1 . . . . B 997 GLU HA . 30300 1 1751 . 2 2 69 69 GLU HB2 H 1 2.056 0.03 . 2 . . . . B 997 GLU HB2 . 30300 1 1752 . 2 2 69 69 GLU HB3 H 1 1.965 0.03 . 2 . . . . B 997 GLU HB3 . 30300 1 1753 . 2 2 69 69 GLU HG2 H 1 2.279 0.03 . 2 . . . . B 997 GLU HG2 . 30300 1 1754 . 2 2 69 69 GLU HG3 H 1 2.279 0.03 . 2 . . . . B 997 GLU HG3 . 30300 1 1755 . 2 2 69 69 GLU C C 13 176.510 0.30 . 1 . . . . B 997 GLU C . 30300 1 1756 . 2 2 69 69 GLU CA C 13 56.693 0.30 . 1 . . . . B 997 GLU CA . 30300 1 1757 . 2 2 69 69 GLU CB C 13 30.202 0.30 . 1 . . . . B 997 GLU CB . 30300 1 1758 . 2 2 69 69 GLU CG C 13 36.270 0.30 . 1 . . . . B 997 GLU CG . 30300 1 1759 . 2 2 69 69 GLU N N 15 122.353 0.30 . 1 . . . . B 997 GLU N . 30300 1 1760 . 2 2 70 70 SER H H 1 8.454 0.03 . 1 . . . . B 998 SER H . 30300 1 1761 . 2 2 70 70 SER HA H 1 4.476 0.03 . 1 . . . . B 998 SER HA . 30300 1 1762 . 2 2 70 70 SER HB2 H 1 3.873 0.03 . 2 . . . . B 998 SER HB2 . 30300 1 1763 . 2 2 70 70 SER HB3 H 1 3.873 0.03 . 2 . . . . B 998 SER HB3 . 30300 1 1764 . 2 2 70 70 SER C C 13 174.328 0.30 . 1 . . . . B 998 SER C . 30300 1 1765 . 2 2 70 70 SER CA C 13 58.393 0.30 . 1 . . . . B 998 SER CA . 30300 1 1766 . 2 2 70 70 SER CB C 13 63.912 0.30 . 1 . . . . B 998 SER CB . 30300 1 1767 . 2 2 70 70 SER N N 15 116.948 0.30 . 1 . . . . B 998 SER N . 30300 1 1768 . 2 2 71 71 ASN H H 1 8.559 0.03 . 1 . . . . B 999 ASN H . 30300 1 1769 . 2 2 71 71 ASN HA H 1 4.822 0.03 . 1 . . . . B 999 ASN HA . 30300 1 1770 . 2 2 71 71 ASN HB2 H 1 2.906 0.03 . 2 . . . . B 999 ASN HB2 . 30300 1 1771 . 2 2 71 71 ASN HB3 H 1 2.810 0.03 . 2 . . . . B 999 ASN HB3 . 30300 1 1772 . 2 2 71 71 ASN C C 13 175.451 0.30 . 1 . . . . B 999 ASN C . 30300 1 1773 . 2 2 71 71 ASN CA C 13 53.339 0.30 . 1 . . . . B 999 ASN CA . 30300 1 1774 . 2 2 71 71 ASN CB C 13 39.014 0.30 . 1 . . . . B 999 ASN CB . 30300 1 1775 . 2 2 71 71 ASN N N 15 121.118 0.30 . 1 . . . . B 999 ASN N . 30300 1 1776 . 2 2 72 72 SER H H 1 8.393 0.03 . 1 . . . . B 1000 SER H . 30300 1 1777 . 2 2 72 72 SER HA H 1 4.443 0.03 . 1 . . . . B 1000 SER HA . 30300 1 1778 . 2 2 72 72 SER HB2 H 1 3.878 0.03 . 2 . . . . B 1000 SER HB2 . 30300 1 1779 . 2 2 72 72 SER HB3 H 1 3.878 0.03 . 2 . . . . B 1000 SER HB3 . 30300 1 1780 . 2 2 72 72 SER C C 13 174.471 0.30 . 1 . . . . B 1000 SER C . 30300 1 1781 . 2 2 72 72 SER CA C 13 58.575 0.30 . 1 . . . . B 1000 SER CA . 30300 1 1782 . 2 2 72 72 SER CB C 13 63.912 0.30 . 1 . . . . B 1000 SER CB . 30300 1 1783 . 2 2 72 72 SER N N 15 116.492 0.30 . 1 . . . . B 1000 SER N . 30300 1 1784 . 2 2 73 73 ASP H H 1 8.401 0.03 . 1 . . . . B 1001 ASP H . 30300 1 1785 . 2 2 73 73 ASP HA H 1 4.604 0.03 . 1 . . . . B 1001 ASP HA . 30300 1 1786 . 2 2 73 73 ASP HB2 H 1 2.668 0.03 . 2 . . . . B 1001 ASP HB2 . 30300 1 1787 . 2 2 73 73 ASP HB3 H 1 2.739 0.03 . 2 . . . . B 1001 ASP HB3 . 30300 1 1788 . 2 2 73 73 ASP C C 13 176.178 0.30 . 1 . . . . B 1001 ASP C . 30300 1 1789 . 2 2 73 73 ASP CA C 13 54.389 0.30 . 1 . . . . B 1001 ASP CA . 30300 1 1790 . 2 2 73 73 ASP CB C 13 41.174 0.30 . 1 . . . . B 1001 ASP CB . 30300 1 1791 . 2 2 73 73 ASP N N 15 122.539 0.30 . 1 . . . . B 1001 ASP N . 30300 1 1792 . 2 2 74 74 ALA H H 1 8.211 0.03 . 1 . . . . B 1002 ALA H . 30300 1 1793 . 2 2 74 74 ALA HA H 1 4.307 0.03 . 1 . . . . B 1002 ALA HA . 30300 1 1794 . 2 2 74 74 ALA HB1 H 1 1.428 0.03 . 1 . . . . B 1002 ALA HB1 . 30300 1 1795 . 2 2 74 74 ALA HB2 H 1 1.428 0.03 . 1 . . . . B 1002 ALA HB2 . 30300 1 1796 . 2 2 74 74 ALA HB3 H 1 1.428 0.03 . 1 . . . . B 1002 ALA HB3 . 30300 1 1797 . 2 2 74 74 ALA C C 13 178.360 0.30 . 1 . . . . B 1002 ALA C . 30300 1 1798 . 2 2 74 74 ALA CA C 13 53.055 0.30 . 1 . . . . B 1002 ALA CA . 30300 1 1799 . 2 2 74 74 ALA CB C 13 19.174 0.30 . 1 . . . . B 1002 ALA CB . 30300 1 1800 . 2 2 74 74 ALA N N 15 124.163 0.30 . 1 . . . . B 1002 ALA N . 30300 1 1801 . 2 2 75 75 GLY H H 1 8.404 0.03 . 1 . . . . B 1003 GLY H . 30300 1 1802 . 2 2 75 75 GLY HA2 H 1 3.978 0.03 . 2 . . . . B 1003 GLY HA2 . 30300 1 1803 . 2 2 75 75 GLY HA3 H 1 3.978 0.03 . 2 . . . . B 1003 GLY HA3 . 30300 1 1804 . 2 2 75 75 GLY C C 13 174.392 0.30 . 1 . . . . B 1003 GLY C . 30300 1 1805 . 2 2 75 75 GLY CA C 13 45.494 0.30 . 1 . . . . B 1003 GLY CA . 30300 1 1806 . 2 2 75 75 GLY N N 15 107.547 0.30 . 1 . . . . B 1003 GLY N . 30300 1 1807 . 2 2 76 76 ILE H H 1 7.952 0.03 . 1 . . . . B 1004 ILE H . 30300 1 1808 . 2 2 76 76 ILE HA H 1 4.168 0.03 . 1 . . . . B 1004 ILE HA . 30300 1 1809 . 2 2 76 76 ILE HB H 1 1.883 0.03 . 1 . . . . B 1004 ILE HB . 30300 1 1810 . 2 2 76 76 ILE HG12 H 1 1.186 0.03 . 2 . . . . B 1004 ILE HG12 . 30300 1 1811 . 2 2 76 76 ILE HG13 H 1 1.456 0.03 . 2 . . . . B 1004 ILE HG13 . 30300 1 1812 . 2 2 76 76 ILE HG21 H 1 0.896 0.03 . 1 . . . . B 1004 ILE HG21 . 30300 1 1813 . 2 2 76 76 ILE HG22 H 1 0.896 0.03 . 1 . . . . B 1004 ILE HG22 . 30300 1 1814 . 2 2 76 76 ILE HG23 H 1 0.896 0.03 . 1 . . . . B 1004 ILE HG23 . 30300 1 1815 . 2 2 76 76 ILE HD11 H 1 0.863 0.03 . 1 . . . . B 1004 ILE HD11 . 30300 1 1816 . 2 2 76 76 ILE HD12 H 1 0.863 0.03 . 1 . . . . B 1004 ILE HD12 . 30300 1 1817 . 2 2 76 76 ILE HD13 H 1 0.863 0.03 . 1 . . . . B 1004 ILE HD13 . 30300 1 1818 . 2 2 76 76 ILE C C 13 175.925 0.30 . 1 . . . . B 1004 ILE C . 30300 1 1819 . 2 2 76 76 ILE CA C 13 61.419 0.30 . 1 . . . . B 1004 ILE CA . 30300 1 1820 . 2 2 76 76 ILE CB C 13 38.816 0.30 . 1 . . . . B 1004 ILE CB . 30300 1 1821 . 2 2 76 76 ILE CG1 C 13 27.242 0.30 . 1 . . . . B 1004 ILE CG1 . 30300 1 1822 . 2 2 76 76 ILE CG2 C 13 17.623 0.30 . 1 . . . . B 1004 ILE CG2 . 30300 1 1823 . 2 2 76 76 ILE CD1 C 13 13.035 0.30 . 1 . . . . B 1004 ILE CD1 . 30300 1 1824 . 2 2 76 76 ILE N N 15 119.463 0.30 . 1 . . . . B 1004 ILE N . 30300 1 1825 . 2 2 77 77 ASN H H 1 8.494 0.03 . 1 . . . . B 1005 ASN H . 30300 1 1826 . 2 2 77 77 ASN HA H 1 4.728 0.03 . 1 . . . . B 1005 ASN HA . 30300 1 1827 . 2 2 77 77 ASN HB2 H 1 2.742 0.03 . 2 . . . . B 1005 ASN HB2 . 30300 1 1828 . 2 2 77 77 ASN HB3 H 1 2.855 0.03 . 2 . . . . B 1005 ASN HB3 . 30300 1 1829 . 2 2 77 77 ASN C C 13 175.037 0.30 . 1 . . . . B 1005 ASN C . 30300 1 1830 . 2 2 77 77 ASN CA C 13 53.357 0.30 . 1 . . . . B 1005 ASN CA . 30300 1 1831 . 2 2 77 77 ASN CB C 13 38.787 0.30 . 1 . . . . B 1005 ASN CB . 30300 1 1832 . 2 2 77 77 ASN N N 15 122.097 0.30 . 1 . . . . B 1005 ASN N . 30300 1 1833 . 2 2 78 78 LEU H H 1 8.172 0.03 . 1 . . . . B 1006 LEU H . 30300 1 1834 . 2 2 78 78 LEU HA H 1 4.352 0.03 . 1 . . . . B 1006 LEU HA . 30300 1 1835 . 2 2 78 78 LEU HB2 H 1 1.628 0.03 . 2 . . . . B 1006 LEU HB2 . 30300 1 1836 . 2 2 78 78 LEU HB3 H 1 1.628 0.03 . 2 . . . . B 1006 LEU HB3 . 30300 1 1837 . 2 2 78 78 LEU HG H 1 1.634 0.03 . 1 . . . . B 1006 LEU HG . 30300 1 1838 . 2 2 78 78 LEU HD11 H 1 0.928 0.03 . 2 . . . . B 1006 LEU HD11 . 30300 1 1839 . 2 2 78 78 LEU HD12 H 1 0.928 0.03 . 2 . . . . B 1006 LEU HD12 . 30300 1 1840 . 2 2 78 78 LEU HD13 H 1 0.928 0.03 . 2 . . . . B 1006 LEU HD13 . 30300 1 1841 . 2 2 78 78 LEU HD21 H 1 0.879 0.03 . 2 . . . . B 1006 LEU HD21 . 30300 1 1842 . 2 2 78 78 LEU HD22 H 1 0.879 0.03 . 2 . . . . B 1006 LEU HD22 . 30300 1 1843 . 2 2 78 78 LEU HD23 H 1 0.879 0.03 . 2 . . . . B 1006 LEU HD23 . 30300 1 1844 . 2 2 78 78 LEU C C 13 177.413 0.30 . 1 . . . . B 1006 LEU C . 30300 1 1845 . 2 2 78 78 LEU CA C 13 55.690 0.30 . 1 . . . . B 1006 LEU CA . 30300 1 1846 . 2 2 78 78 LEU CB C 13 42.405 0.30 . 1 . . . . B 1006 LEU CB . 30300 1 1847 . 2 2 78 78 LEU CG C 13 26.946 0.30 . 1 . . . . B 1006 LEU CG . 30300 1 1848 . 2 2 78 78 LEU CD1 C 13 24.875 0.30 . 2 . . . . B 1006 LEU CD1 . 30300 1 1849 . 2 2 78 78 LEU CD2 C 13 23.543 0.30 . 2 . . . . B 1006 LEU CD2 . 30300 1 1850 . 2 2 78 78 LEU N N 15 122.442 0.30 . 1 . . . . B 1006 LEU N . 30300 1 1851 . 2 2 79 79 ILE H H 1 8.028 0.03 . 1 . . . . B 1007 ILE H . 30300 1 1852 . 2 2 79 79 ILE HA H 1 4.147 0.03 . 1 . . . . B 1007 ILE HA . 30300 1 1853 . 2 2 79 79 ILE HB H 1 1.883 0.03 . 1 . . . . B 1007 ILE HB . 30300 1 1854 . 2 2 79 79 ILE HG12 H 1 1.186 0.03 . 2 . . . . B 1007 ILE HG12 . 30300 1 1855 . 2 2 79 79 ILE HG13 H 1 1.456 0.03 . 2 . . . . B 1007 ILE HG13 . 30300 1 1856 . 2 2 79 79 ILE HG21 H 1 0.896 0.03 . 1 . . . . B 1007 ILE HG21 . 30300 1 1857 . 2 2 79 79 ILE HG22 H 1 0.896 0.03 . 1 . . . . B 1007 ILE HG22 . 30300 1 1858 . 2 2 79 79 ILE HG23 H 1 0.896 0.03 . 1 . . . . B 1007 ILE HG23 . 30300 1 1859 . 2 2 79 79 ILE HD11 H 1 0.863 0.03 . 1 . . . . B 1007 ILE HD11 . 30300 1 1860 . 2 2 79 79 ILE HD12 H 1 0.863 0.03 . 1 . . . . B 1007 ILE HD12 . 30300 1 1861 . 2 2 79 79 ILE HD13 H 1 0.863 0.03 . 1 . . . . B 1007 ILE HD13 . 30300 1 1862 . 2 2 79 79 ILE C C 13 175.530 0.30 . 1 . . . . B 1007 ILE C . 30300 1 1863 . 2 2 79 79 ILE CA C 13 61.063 0.30 . 1 . . . . B 1007 ILE CA . 30300 1 1864 . 2 2 79 79 ILE CB C 13 38.616 0.30 . 1 . . . . B 1007 ILE CB . 30300 1 1865 . 2 2 79 79 ILE CG1 C 13 27.242 0.30 . 1 . . . . B 1007 ILE CG1 . 30300 1 1866 . 2 2 79 79 ILE CG2 C 13 17.549 0.30 . 1 . . . . B 1007 ILE CG2 . 30300 1 1867 . 2 2 79 79 ILE CD1 C 13 12.887 0.30 . 1 . . . . B 1007 ILE CD1 . 30300 1 1868 . 2 2 79 79 ILE N N 15 121.382 0.30 . 1 . . . . B 1007 ILE N . 30300 1 1869 . 2 2 80 80 ALA H H 1 8.119 0.03 . 1 . . . . B 1008 ALA H . 30300 1 1870 . 2 2 80 80 ALA HA H 1 4.341 0.03 . 1 . . . . B 1008 ALA HA . 30300 1 1871 . 2 2 80 80 ALA HB1 H 1 1.360 0.03 . 1 . . . . B 1008 ALA HB1 . 30300 1 1872 . 2 2 80 80 ALA HB2 H 1 1.360 0.03 . 1 . . . . B 1008 ALA HB2 . 30300 1 1873 . 2 2 80 80 ALA HB3 H 1 1.360 0.03 . 1 . . . . B 1008 ALA HB3 . 30300 1 1874 . 2 2 80 80 ALA C C 13 176.539 0.30 . 1 . . . . B 1008 ALA C . 30300 1 1875 . 2 2 80 80 ALA CA C 13 52.088 0.30 . 1 . . . . B 1008 ALA CA . 30300 1 1876 . 2 2 80 80 ALA CB C 13 19.660 0.30 . 1 . . . . B 1008 ALA CB . 30300 1 1877 . 2 2 80 80 ALA N N 15 126.328 0.30 . 1 . . . . B 1008 ALA N . 30300 1 1878 . 2 2 81 81 LEU H H 1 7.908 0.03 . 1 . . . . B 1009 LEU H . 30300 1 1879 . 2 2 81 81 LEU HA H 1 4.592 0.03 . 1 . . . . B 1009 LEU HA . 30300 1 1880 . 2 2 81 81 LEU HB2 H 1 1.579 0.03 . 2 . . . . B 1009 LEU HB2 . 30300 1 1881 . 2 2 81 81 LEU HB3 H 1 1.579 0.03 . 2 . . . . B 1009 LEU HB3 . 30300 1 1882 . 2 2 81 81 LEU HG H 1 1.443 0.03 . 1 . . . . B 1009 LEU HG . 30300 1 1883 . 2 2 81 81 LEU HD11 H 1 0.649 0.03 . 2 . . . . B 1009 LEU HD11 . 30300 1 1884 . 2 2 81 81 LEU HD12 H 1 0.649 0.03 . 2 . . . . B 1009 LEU HD12 . 30300 1 1885 . 2 2 81 81 LEU HD13 H 1 0.649 0.03 . 2 . . . . B 1009 LEU HD13 . 30300 1 1886 . 2 2 81 81 LEU HD21 H 1 0.547 0.03 . 2 . . . . B 1009 LEU HD21 . 30300 1 1887 . 2 2 81 81 LEU HD22 H 1 0.547 0.03 . 2 . . . . B 1009 LEU HD22 . 30300 1 1888 . 2 2 81 81 LEU HD23 H 1 0.547 0.03 . 2 . . . . B 1009 LEU HD23 . 30300 1 1889 . 2 2 81 81 LEU C C 13 174.825 0.30 . 1 . . . . B 1009 LEU C . 30300 1 1890 . 2 2 81 81 LEU CA C 13 52.571 0.30 . 1 . . . . B 1009 LEU CA . 30300 1 1891 . 2 2 81 81 LEU CB C 13 42.006 0.30 . 1 . . . . B 1009 LEU CB . 30300 1 1892 . 2 2 81 81 LEU CG C 13 26.946 0.30 . 1 . . . . B 1009 LEU CG . 30300 1 1893 . 2 2 81 81 LEU CD1 C 13 24.044 0.30 . 2 . . . . B 1009 LEU CD1 . 30300 1 1894 . 2 2 81 81 LEU CD2 C 13 24.836 0.30 . 2 . . . . B 1009 LEU CD2 . 30300 1 1895 . 2 2 81 81 LEU N N 15 120.706 0.30 . 1 . . . . B 1009 LEU N . 30300 1 1896 . 2 2 82 82 PRO HA H 1 4.510 0.03 . 1 . . . . B 1010 PRO HA . 30300 1 1897 . 2 2 82 82 PRO HB2 H 1 2.148 0.03 . 2 . . . . B 1010 PRO HB2 . 30300 1 1898 . 2 2 82 82 PRO HB3 H 1 2.148 0.03 . 2 . . . . B 1010 PRO HB3 . 30300 1 1899 . 2 2 82 82 PRO HG2 H 1 1.970 0.03 . 2 . . . . B 1010 PRO HG2 . 30300 1 1900 . 2 2 82 82 PRO HG3 H 1 1.869 0.03 . 2 . . . . B 1010 PRO HG3 . 30300 1 1901 . 2 2 82 82 PRO HD2 H 1 3.643 0.03 . 2 . . . . B 1010 PRO HD2 . 30300 1 1902 . 2 2 82 82 PRO HD3 H 1 3.771 0.03 . 2 . . . . B 1010 PRO HD3 . 30300 1 1903 . 2 2 82 82 PRO C C 13 176.336 0.30 . 1 . . . . B 1010 PRO C . 30300 1 1904 . 2 2 82 82 PRO CA C 13 62.333 0.30 . 1 . . . . B 1010 PRO CA . 30300 1 1905 . 2 2 82 82 PRO CB C 13 32.078 0.30 . 1 . . . . B 1010 PRO CB . 30300 1 1906 . 2 2 82 82 PRO CG C 13 27.488 0.30 . 1 . . . . B 1010 PRO CG . 30300 1 1907 . 2 2 82 82 PRO CD C 13 50.685 0.30 . 1 . . . . B 1010 PRO CD . 30300 1 1908 . 2 2 83 83 ALA H H 1 8.478 0.03 . 1 . . . . B 1011 ALA H . 30300 1 1909 . 2 2 83 83 ALA HA H 1 4.305 0.03 . 1 . . . . B 1011 ALA HA . 30300 1 1910 . 2 2 83 83 ALA HB1 H 1 1.392 0.03 . 1 . . . . B 1011 ALA HB1 . 30300 1 1911 . 2 2 83 83 ALA HB2 H 1 1.392 0.03 . 1 . . . . B 1011 ALA HB2 . 30300 1 1912 . 2 2 83 83 ALA HB3 H 1 1.392 0.03 . 1 . . . . B 1011 ALA HB3 . 30300 1 1913 . 2 2 83 83 ALA C C 13 178.929 0.30 . 1 . . . . B 1011 ALA C . 30300 1 1914 . 2 2 83 83 ALA CA C 13 52.948 0.30 . 1 . . . . B 1011 ALA CA . 30300 1 1915 . 2 2 83 83 ALA CB C 13 18.492 0.30 . 1 . . . . B 1011 ALA CB . 30300 1 1916 . 2 2 83 83 ALA N N 15 123.997 0.30 . 1 . . . . B 1011 ALA N . 30300 1 1917 . 2 2 84 84 PHE H H 1 8.834 0.03 . 1 . . . . B 1012 PHE H . 30300 1 1918 . 2 2 84 84 PHE HA H 1 3.882 0.03 . 1 . . . . B 1012 PHE HA . 30300 1 1919 . 2 2 84 84 PHE HB2 H 1 2.747 0.03 . 2 . . . . B 1012 PHE HB2 . 30300 1 1920 . 2 2 84 84 PHE HB3 H 1 2.678 0.03 . 2 . . . . B 1012 PHE HB3 . 30300 1 1921 . 2 2 84 84 PHE HD1 H 1 6.625 0.03 . 3 . . . . B 1012 PHE HD1 . 30300 1 1922 . 2 2 84 84 PHE HD2 H 1 6.625 0.03 . 3 . . . . B 1012 PHE HD2 . 30300 1 1923 . 2 2 84 84 PHE HE1 H 1 6.824 0.03 . 3 . . . . B 1012 PHE HE1 . 30300 1 1924 . 2 2 84 84 PHE HE2 H 1 6.824 0.03 . 3 . . . . B 1012 PHE HE2 . 30300 1 1925 . 2 2 84 84 PHE C C 13 177.427 0.30 . 1 . . . . B 1012 PHE C . 30300 1 1926 . 2 2 84 84 PHE CA C 13 60.793 0.30 . 1 . . . . B 1012 PHE CA . 30300 1 1927 . 2 2 84 84 PHE CB C 13 38.688 0.30 . 1 . . . . B 1012 PHE CB . 30300 1 1928 . 2 2 84 84 PHE CD1 C 13 131.742 0.30 . 3 . . . . B 1012 PHE CD1 . 30300 1 1929 . 2 2 84 84 PHE CD2 C 13 131.742 0.30 . 3 . . . . B 1012 PHE CD2 . 30300 1 1930 . 2 2 84 84 PHE CE1 C 13 130.759 0.30 . 3 . . . . B 1012 PHE CE1 . 30300 1 1931 . 2 2 84 84 PHE CE2 C 13 130.759 0.30 . 3 . . . . B 1012 PHE CE2 . 30300 1 1932 . 2 2 84 84 PHE N N 15 123.101 0.30 . 1 . . . . B 1012 PHE N . 30300 1 1933 . 2 2 85 85 SER H H 1 8.216 0.03 . 1 . . . . B 1013 SER H . 30300 1 1934 . 2 2 85 85 SER HA H 1 4.049 0.03 . 1 . . . . B 1013 SER HA . 30300 1 1935 . 2 2 85 85 SER HB2 H 1 3.926 0.03 . 2 . . . . B 1013 SER HB2 . 30300 1 1936 . 2 2 85 85 SER HB3 H 1 3.864 0.03 . 2 . . . . B 1013 SER HB3 . 30300 1 1937 . 2 2 85 85 SER C C 13 177.427 0.30 . 1 . . . . B 1013 SER C . 30300 1 1938 . 2 2 85 85 SER CA C 13 59.794 0.30 . 1 . . . . B 1013 SER CA . 30300 1 1939 . 2 2 85 85 SER CB C 13 62.605 0.30 . 1 . . . . B 1013 SER CB . 30300 1 1940 . 2 2 85 85 SER N N 15 111.713 0.30 . 1 . . . . B 1013 SER N . 30300 1 1941 . 2 2 86 86 GLN H H 1 8.015 0.03 . 1 . . . . B 1014 GLN H . 30300 1 1942 . 2 2 86 86 GLN HA H 1 4.280 0.03 . 1 . . . . B 1014 GLN HA . 30300 1 1943 . 2 2 86 86 GLN HB2 H 1 2.080 0.03 . 2 . . . . B 1014 GLN HB2 . 30300 1 1944 . 2 2 86 86 GLN HB3 H 1 2.278 0.03 . 2 . . . . B 1014 GLN HB3 . 30300 1 1945 . 2 2 86 86 GLN HG2 H 1 2.405 0.03 . 2 . . . . B 1014 GLN HG2 . 30300 1 1946 . 2 2 86 86 GLN HG3 H 1 2.305 0.03 . 2 . . . . B 1014 GLN HG3 . 30300 1 1947 . 2 2 86 86 GLN C C 13 175.956 0.30 . 1 . . . . B 1014 GLN C . 30300 1 1948 . 2 2 86 86 GLN CA C 13 55.395 0.30 . 1 . . . . B 1014 GLN CA . 30300 1 1949 . 2 2 86 86 GLN CB C 13 29.645 0.30 . 1 . . . . B 1014 GLN CB . 30300 1 1950 . 2 2 86 86 GLN CG C 13 34.578 0.30 . 1 . . . . B 1014 GLN CG . 30300 1 1951 . 2 2 86 86 GLN N N 15 119.507 0.30 . 1 . . . . B 1014 GLN N . 30300 1 1952 . 2 2 87 87 VAL H H 1 7.268 0.03 . 1 . . . . B 1015 VAL H . 30300 1 1953 . 2 2 87 87 VAL HA H 1 3.593 0.03 . 1 . . . . B 1015 VAL HA . 30300 1 1954 . 2 2 87 87 VAL HB H 1 1.609 0.03 . 1 . . . . B 1015 VAL HB . 30300 1 1955 . 2 2 87 87 VAL HG11 H 1 0.790 0.03 . 2 . . . . B 1015 VAL HG11 . 30300 1 1956 . 2 2 87 87 VAL HG12 H 1 0.790 0.03 . 2 . . . . B 1015 VAL HG12 . 30300 1 1957 . 2 2 87 87 VAL HG13 H 1 0.790 0.03 . 2 . . . . B 1015 VAL HG13 . 30300 1 1958 . 2 2 87 87 VAL HG21 H 1 0.716 0.03 . 2 . . . . B 1015 VAL HG21 . 30300 1 1959 . 2 2 87 87 VAL HG22 H 1 0.716 0.03 . 2 . . . . B 1015 VAL HG22 . 30300 1 1960 . 2 2 87 87 VAL HG23 H 1 0.716 0.03 . 2 . . . . B 1015 VAL HG23 . 30300 1 1961 . 2 2 87 87 VAL C C 13 175.830 0.30 . 1 . . . . B 1015 VAL C . 30300 1 1962 . 2 2 87 87 VAL CA C 13 62.912 0.30 . 1 . . . . B 1015 VAL CA . 30300 1 1963 . 2 2 87 87 VAL CB C 13 31.605 0.30 . 1 . . . . B 1015 VAL CB . 30300 1 1964 . 2 2 87 87 VAL CG1 C 13 22.891 0.30 . 2 . . . . B 1015 VAL CG1 . 30300 1 1965 . 2 2 87 87 VAL CG2 C 13 21.056 0.30 . 2 . . . . B 1015 VAL CG2 . 30300 1 1966 . 2 2 87 87 VAL N N 15 120.640 0.30 . 1 . . . . B 1015 VAL N . 30300 1 1967 . 2 2 88 88 ASP H H 1 8.934 0.03 . 1 . . . . B 1016 ASP H . 30300 1 1968 . 2 2 88 88 ASP HA H 1 4.772 0.03 . 1 . . . . B 1016 ASP HA . 30300 1 1969 . 2 2 88 88 ASP HB2 H 1 2.740 0.03 . 2 . . . . B 1016 ASP HB2 . 30300 1 1970 . 2 2 88 88 ASP HB3 H 1 2.310 0.03 . 2 . . . . B 1016 ASP HB3 . 30300 1 1971 . 2 2 88 88 ASP C C 13 175.166 0.30 . 1 . . . . B 1016 ASP C . 30300 1 1972 . 2 2 88 88 ASP CA C 13 51.527 0.30 . 1 . . . . B 1016 ASP CA . 30300 1 1973 . 2 2 88 88 ASP CB C 13 42.026 0.30 . 1 . . . . B 1016 ASP CB . 30300 1 1974 . 2 2 88 88 ASP N N 15 130.576 0.30 . 1 . . . . B 1016 ASP N . 30300 1 1975 . 2 2 89 89 PRO HA H 1 4.270 0.03 . 1 . . . . B 1017 PRO HA . 30300 1 1976 . 2 2 89 89 PRO HB2 H 1 1.806 0.03 . 2 . . . . B 1017 PRO HB2 . 30300 1 1977 . 2 2 89 89 PRO HB3 H 1 2.240 0.03 . 2 . . . . B 1017 PRO HB3 . 30300 1 1978 . 2 2 89 89 PRO HG2 H 1 2.106 0.03 . 2 . . . . B 1017 PRO HG2 . 30300 1 1979 . 2 2 89 89 PRO HG3 H 1 2.106 0.03 . 2 . . . . B 1017 PRO HG3 . 30300 1 1980 . 2 2 89 89 PRO HD2 H 1 3.760 0.03 . 2 . . . . B 1017 PRO HD2 . 30300 1 1981 . 2 2 89 89 PRO HD3 H 1 3.848 0.03 . 2 . . . . B 1017 PRO HD3 . 30300 1 1982 . 2 2 89 89 PRO C C 13 179.625 0.30 . 1 . . . . B 1017 PRO C . 30300 1 1983 . 2 2 89 89 PRO CA C 13 64.504 0.30 . 1 . . . . B 1017 PRO CA . 30300 1 1984 . 2 2 89 89 PRO CB C 13 32.049 0.30 . 1 . . . . B 1017 PRO CB . 30300 1 1985 . 2 2 89 89 PRO CG C 13 27.415 0.30 . 1 . . . . B 1017 PRO CG . 30300 1 1986 . 2 2 89 89 PRO CD C 13 50.146 0.30 . 1 . . . . B 1017 PRO CD . 30300 1 1987 . 2 2 90 90 GLU H H 1 8.347 0.03 . 1 . . . . B 1018 GLU H . 30300 1 1988 . 2 2 90 90 GLU HA H 1 4.095 0.03 . 1 . . . . B 1018 GLU HA . 30300 1 1989 . 2 2 90 90 GLU HB2 H 1 2.076 0.03 . 2 . . . . B 1018 GLU HB2 . 30300 1 1990 . 2 2 90 90 GLU HB3 H 1 2.125 0.03 . 2 . . . . B 1018 GLU HB3 . 30300 1 1991 . 2 2 90 90 GLU HG2 H 1 2.205 0.03 . 2 . . . . B 1018 GLU HG2 . 30300 1 1992 . 2 2 90 90 GLU HG3 H 1 2.355 0.03 . 2 . . . . B 1018 GLU HG3 . 30300 1 1993 . 2 2 90 90 GLU C C 13 179.491 0.30 . 1 . . . . B 1018 GLU C . 30300 1 1994 . 2 2 90 90 GLU CA C 13 58.909 0.30 . 1 . . . . B 1018 GLU CA . 30300 1 1995 . 2 2 90 90 GLU CB C 13 29.634 0.30 . 1 . . . . B 1018 GLU CB . 30300 1 1996 . 2 2 90 90 GLU CG C 13 36.990 0.30 . 1 . . . . B 1018 GLU CG . 30300 1 1997 . 2 2 90 90 GLU N N 15 118.997 0.30 . 1 . . . . B 1018 GLU N . 30300 1 1998 . 2 2 91 91 VAL H H 1 7.562 0.03 . 1 . . . . B 1019 VAL H . 30300 1 1999 . 2 2 91 91 VAL HA H 1 3.319 0.03 . 1 . . . . B 1019 VAL HA . 30300 1 2000 . 2 2 91 91 VAL HB H 1 2.224 0.03 . 1 . . . . B 1019 VAL HB . 30300 1 2001 . 2 2 91 91 VAL HG11 H 1 0.748 0.03 . 2 . . . . B 1019 VAL HG11 . 30300 1 2002 . 2 2 91 91 VAL HG12 H 1 0.748 0.03 . 2 . . . . B 1019 VAL HG12 . 30300 1 2003 . 2 2 91 91 VAL HG13 H 1 0.748 0.03 . 2 . . . . B 1019 VAL HG13 . 30300 1 2004 . 2 2 91 91 VAL HG21 H 1 1.037 0.03 . 2 . . . . B 1019 VAL HG21 . 30300 1 2005 . 2 2 91 91 VAL HG22 H 1 1.037 0.03 . 2 . . . . B 1019 VAL HG22 . 30300 1 2006 . 2 2 91 91 VAL HG23 H 1 1.037 0.03 . 2 . . . . B 1019 VAL HG23 . 30300 1 2007 . 2 2 91 91 VAL C C 13 177.395 0.30 . 1 . . . . B 1019 VAL C . 30300 1 2008 . 2 2 91 91 VAL CA C 13 66.129 0.30 . 1 . . . . B 1019 VAL CA . 30300 1 2009 . 2 2 91 91 VAL CB C 13 31.453 0.30 . 1 . . . . B 1019 VAL CB . 30300 1 2010 . 2 2 91 91 VAL CG1 C 13 20.687 0.30 . 2 . . . . B 1019 VAL CG1 . 30300 1 2011 . 2 2 91 91 VAL CG2 C 13 21.972 0.30 . 2 . . . . B 1019 VAL CG2 . 30300 1 2012 . 2 2 91 91 VAL N N 15 120.948 0.30 . 1 . . . . B 1019 VAL N . 30300 1 2013 . 2 2 92 92 PHE H H 1 8.115 0.03 . 1 . . . . B 1020 PHE H . 30300 1 2014 . 2 2 92 92 PHE HA H 1 3.681 0.03 . 1 . . . . B 1020 PHE HA . 30300 1 2015 . 2 2 92 92 PHE HB2 H 1 2.841 0.03 . 2 . . . . B 1020 PHE HB2 . 30300 1 2016 . 2 2 92 92 PHE HB3 H 1 3.043 0.03 . 2 . . . . B 1020 PHE HB3 . 30300 1 2017 . 2 2 92 92 PHE HD1 H 1 7.140 0.03 . 3 . . . . B 1020 PHE HD1 . 30300 1 2018 . 2 2 92 92 PHE HD2 H 1 7.140 0.03 . 3 . . . . B 1020 PHE HD2 . 30300 1 2019 . 2 2 92 92 PHE HE1 H 1 7.410 0.03 . 3 . . . . B 1020 PHE HE1 . 30300 1 2020 . 2 2 92 92 PHE HE2 H 1 7.410 0.03 . 3 . . . . B 1020 PHE HE2 . 30300 1 2021 . 2 2 92 92 PHE C C 13 177.158 0.30 . 1 . . . . B 1020 PHE C . 30300 1 2022 . 2 2 92 92 PHE CA C 13 62.391 0.30 . 1 . . . . B 1020 PHE CA . 30300 1 2023 . 2 2 92 92 PHE CB C 13 39.809 0.30 . 1 . . . . B 1020 PHE CB . 30300 1 2024 . 2 2 92 92 PHE CD1 C 13 131.295 0.30 . 3 . . . . B 1020 PHE CD1 . 30300 1 2025 . 2 2 92 92 PHE CD2 C 13 131.295 0.30 . 3 . . . . B 1020 PHE CD2 . 30300 1 2026 . 2 2 92 92 PHE CE1 C 13 129.719 0.30 . 3 . . . . B 1020 PHE CE1 . 30300 1 2027 . 2 2 92 92 PHE CE2 C 13 129.719 0.30 . 3 . . . . B 1020 PHE CE2 . 30300 1 2028 . 2 2 92 92 PHE N N 15 117.987 0.30 . 1 . . . . B 1020 PHE N . 30300 1 2029 . 2 2 93 93 ALA H H 1 7.686 0.03 . 1 . . . . B 1021 ALA H . 30300 1 2030 . 2 2 93 93 ALA HA H 1 3.959 0.03 . 1 . . . . B 1021 ALA HA . 30300 1 2031 . 2 2 93 93 ALA HB1 H 1 1.485 0.03 . 1 . . . . B 1021 ALA HB1 . 30300 1 2032 . 2 2 93 93 ALA HB2 H 1 1.485 0.03 . 1 . . . . B 1021 ALA HB2 . 30300 1 2033 . 2 2 93 93 ALA HB3 H 1 1.485 0.03 . 1 . . . . B 1021 ALA HB3 . 30300 1 2034 . 2 2 93 93 ALA C C 13 177.458 0.30 . 1 . . . . B 1021 ALA C . 30300 1 2035 . 2 2 93 93 ALA CA C 13 53.731 0.30 . 1 . . . . B 1021 ALA CA . 30300 1 2036 . 2 2 93 93 ALA CB C 13 18.557 0.30 . 1 . . . . B 1021 ALA CB . 30300 1 2037 . 2 2 93 93 ALA N N 15 115.283 0.30 . 1 . . . . B 1021 ALA N . 30300 1 2038 . 2 2 94 94 ALA H H 1 7.247 0.03 . 1 . . . . B 1022 ALA H . 30300 1 2039 . 2 2 94 94 ALA HA H 1 4.221 0.03 . 1 . . . . B 1022 ALA HA . 30300 1 2040 . 2 2 94 94 ALA HB1 H 1 1.242 0.03 . 1 . . . . B 1022 ALA HB1 . 30300 1 2041 . 2 2 94 94 ALA HB2 H 1 1.242 0.03 . 1 . . . . B 1022 ALA HB2 . 30300 1 2042 . 2 2 94 94 ALA HB3 H 1 1.242 0.03 . 1 . . . . B 1022 ALA HB3 . 30300 1 2043 . 2 2 94 94 ALA C C 13 177.706 0.30 . 1 . . . . B 1022 ALA C . 30300 1 2044 . 2 2 94 94 ALA CA C 13 51.687 0.30 . 1 . . . . B 1022 ALA CA . 30300 1 2045 . 2 2 94 94 ALA CB C 13 18.928 0.30 . 1 . . . . B 1022 ALA CB . 30300 1 2046 . 2 2 94 94 ALA N N 15 118.839 0.30 . 1 . . . . B 1022 ALA N . 30300 1 2047 . 2 2 95 95 LEU H H 1 7.107 0.03 . 1 . . . . B 1023 LEU H . 30300 1 2048 . 2 2 95 95 LEU HA H 1 4.266 0.03 . 1 . . . . B 1023 LEU HA . 30300 1 2049 . 2 2 95 95 LEU HB2 H 1 1.038 0.03 . 2 . . . . B 1023 LEU HB2 . 30300 1 2050 . 2 2 95 95 LEU HB3 H 1 1.597 0.03 . 2 . . . . B 1023 LEU HB3 . 30300 1 2051 . 2 2 95 95 LEU HG H 1 0.591 0.03 . 1 . . . . B 1023 LEU HG . 30300 1 2052 . 2 2 95 95 LEU HD11 H 1 0.521 0.03 . 2 . . . . B 1023 LEU HD11 . 30300 1 2053 . 2 2 95 95 LEU HD12 H 1 0.521 0.03 . 2 . . . . B 1023 LEU HD12 . 30300 1 2054 . 2 2 95 95 LEU HD13 H 1 0.521 0.03 . 2 . . . . B 1023 LEU HD13 . 30300 1 2055 . 2 2 95 95 LEU HD21 H 1 0.854 0.03 . 2 . . . . B 1023 LEU HD21 . 30300 1 2056 . 2 2 95 95 LEU HD22 H 1 0.854 0.03 . 2 . . . . B 1023 LEU HD22 . 30300 1 2057 . 2 2 95 95 LEU HD23 H 1 0.854 0.03 . 2 . . . . B 1023 LEU HD23 . 30300 1 2058 . 2 2 95 95 LEU C C 13 174.312 0.30 . 1 . . . . B 1023 LEU C . 30300 1 2059 . 2 2 95 95 LEU CA C 13 52.352 0.30 . 1 . . . . B 1023 LEU CA . 30300 1 2060 . 2 2 95 95 LEU CB C 13 40.345 0.30 . 1 . . . . B 1023 LEU CB . 30300 1 2061 . 2 2 95 95 LEU CG C 13 26.172 0.30 . 1 . . . . B 1023 LEU CG . 30300 1 2062 . 2 2 95 95 LEU CD1 C 13 21.587 0.30 . 2 . . . . B 1023 LEU CD1 . 30300 1 2063 . 2 2 95 95 LEU CD2 C 13 24.992 0.30 . 2 . . . . B 1023 LEU CD2 . 30300 1 2064 . 2 2 95 95 LEU N N 15 118.524 0.30 . 1 . . . . B 1023 LEU N . 30300 1 2065 . 2 2 96 96 PRO HA H 1 4.469 0.03 . 1 . . . . B 1024 PRO HA . 30300 1 2066 . 2 2 96 96 PRO HB2 H 1 1.920 0.03 . 2 . . . . B 1024 PRO HB2 . 30300 1 2067 . 2 2 96 96 PRO HB3 H 1 2.314 0.03 . 2 . . . . B 1024 PRO HB3 . 30300 1 2068 . 2 2 96 96 PRO HG2 H 1 2.043 0.03 . 2 . . . . B 1024 PRO HG2 . 30300 1 2069 . 2 2 96 96 PRO HG3 H 1 2.043 0.03 . 2 . . . . B 1024 PRO HG3 . 30300 1 2070 . 2 2 96 96 PRO HD2 H 1 3.716 0.03 . 2 . . . . B 1024 PRO HD2 . 30300 1 2071 . 2 2 96 96 PRO HD3 H 1 3.810 0.03 . 2 . . . . B 1024 PRO HD3 . 30300 1 2072 . 2 2 96 96 PRO C C 13 177.759 0.30 . 1 . . . . B 1024 PRO C . 30300 1 2073 . 2 2 96 96 PRO CA C 13 63.010 0.30 . 1 . . . . B 1024 PRO CA . 30300 1 2074 . 2 2 96 96 PRO CB C 13 32.092 0.30 . 1 . . . . B 1024 PRO CB . 30300 1 2075 . 2 2 96 96 PRO CG C 13 27.415 0.30 . 1 . . . . B 1024 PRO CG . 30300 1 2076 . 2 2 96 96 PRO CD C 13 50.804 0.30 . 1 . . . . B 1024 PRO CD . 30300 1 2077 . 2 2 97 97 ALA H H 1 9.068 0.03 . 1 . . . . B 1025 ALA H . 30300 1 2078 . 2 2 97 97 ALA HA H 1 3.945 0.03 . 1 . . . . B 1025 ALA HA . 30300 1 2079 . 2 2 97 97 ALA HB1 H 1 1.488 0.03 . 1 . . . . B 1025 ALA HB1 . 30300 1 2080 . 2 2 97 97 ALA HB2 H 1 1.488 0.03 . 1 . . . . B 1025 ALA HB2 . 30300 1 2081 . 2 2 97 97 ALA HB3 H 1 1.488 0.03 . 1 . . . . B 1025 ALA HB3 . 30300 1 2082 . 2 2 97 97 ALA C C 13 179.862 0.30 . 1 . . . . B 1025 ALA C . 30300 1 2083 . 2 2 97 97 ALA CA C 13 55.754 0.30 . 1 . . . . B 1025 ALA CA . 30300 1 2084 . 2 2 97 97 ALA CB C 13 18.322 0.30 . 1 . . . . B 1025 ALA CB . 30300 1 2085 . 2 2 97 97 ALA N N 15 127.836 0.30 . 1 . . . . B 1025 ALA N . 30300 1 2086 . 2 2 98 98 GLU H H 1 9.610 0.03 . 1 . . . . B 1026 GLU H . 30300 1 2087 . 2 2 98 98 GLU HA H 1 4.062 0.03 . 1 . . . . B 1026 GLU HA . 30300 1 2088 . 2 2 98 98 GLU HB2 H 1 2.049 0.03 . 2 . . . . B 1026 GLU HB2 . 30300 1 2089 . 2 2 98 98 GLU HB3 H 1 2.049 0.03 . 2 . . . . B 1026 GLU HB3 . 30300 1 2090 . 2 2 98 98 GLU HG2 H 1 2.364 0.03 . 2 . . . . B 1026 GLU HG2 . 30300 1 2091 . 2 2 98 98 GLU HG3 H 1 2.364 0.03 . 2 . . . . B 1026 GLU HG3 . 30300 1 2092 . 2 2 98 98 GLU C C 13 178.837 0.30 . 1 . . . . B 1026 GLU C . 30300 1 2093 . 2 2 98 98 GLU CA C 13 59.819 0.30 . 1 . . . . B 1026 GLU CA . 30300 1 2094 . 2 2 98 98 GLU CB C 13 28.582 0.30 . 1 . . . . B 1026 GLU CB . 30300 1 2095 . 2 2 98 98 GLU CG C 13 35.890 0.30 . 1 . . . . B 1026 GLU CG . 30300 1 2096 . 2 2 98 98 GLU N N 15 115.988 0.30 . 1 . . . . B 1026 GLU N . 30300 1 2097 . 2 2 99 99 LEU H H 1 7.163 0.03 . 1 . . . . B 1027 LEU H . 30300 1 2098 . 2 2 99 99 LEU HA H 1 4.338 0.03 . 1 . . . . B 1027 LEU HA . 30300 1 2099 . 2 2 99 99 LEU HB2 H 1 1.678 0.03 . 2 . . . . B 1027 LEU HB2 . 30300 1 2100 . 2 2 99 99 LEU HB3 H 1 1.559 0.03 . 2 . . . . B 1027 LEU HB3 . 30300 1 2101 . 2 2 99 99 LEU HG H 1 1.628 0.03 . 1 . . . . B 1027 LEU HG . 30300 1 2102 . 2 2 99 99 LEU HD11 H 1 0.877 0.03 . 2 . . . . B 1027 LEU HD11 . 30300 1 2103 . 2 2 99 99 LEU HD12 H 1 0.877 0.03 . 2 . . . . B 1027 LEU HD12 . 30300 1 2104 . 2 2 99 99 LEU HD13 H 1 0.877 0.03 . 2 . . . . B 1027 LEU HD13 . 30300 1 2105 . 2 2 99 99 LEU HD21 H 1 0.876 0.03 . 2 . . . . B 1027 LEU HD21 . 30300 1 2106 . 2 2 99 99 LEU HD22 H 1 0.876 0.03 . 2 . . . . B 1027 LEU HD22 . 30300 1 2107 . 2 2 99 99 LEU HD23 H 1 0.876 0.03 . 2 . . . . B 1027 LEU HD23 . 30300 1 2108 . 2 2 99 99 LEU C C 13 178.625 0.30 . 1 . . . . B 1027 LEU C . 30300 1 2109 . 2 2 99 99 LEU CA C 13 56.424 0.30 . 1 . . . . B 1027 LEU CA . 30300 1 2110 . 2 2 99 99 LEU CB C 13 42.206 0.30 . 1 . . . . B 1027 LEU CB . 30300 1 2111 . 2 2 99 99 LEU CG C 13 26.976 0.30 . 1 . . . . B 1027 LEU CG . 30300 1 2112 . 2 2 99 99 LEU CD1 C 13 23.339 0.30 . 2 . . . . B 1027 LEU CD1 . 30300 1 2113 . 2 2 99 99 LEU CD2 C 13 24.878 0.30 . 2 . . . . B 1027 LEU CD2 . 30300 1 2114 . 2 2 99 99 LEU N N 15 120.753 0.30 . 1 . . . . B 1027 LEU N . 30300 1 2115 . 2 2 100 100 GLN H H 1 7.925 0.03 . 1 . . . . B 1028 GLN H . 30300 1 2116 . 2 2 100 100 GLN HA H 1 3.628 0.03 . 1 . . . . B 1028 GLN HA . 30300 1 2117 . 2 2 100 100 GLN HB2 H 1 1.936 0.03 . 2 . . . . B 1028 GLN HB2 . 30300 1 2118 . 2 2 100 100 GLN HB3 H 1 1.936 0.03 . 2 . . . . B 1028 GLN HB3 . 30300 1 2119 . 2 2 100 100 GLN HG2 H 1 1.960 0.03 . 2 . . . . B 1028 GLN HG2 . 30300 1 2120 . 2 2 100 100 GLN HG3 H 1 1.115 0.03 . 2 . . . . B 1028 GLN HG3 . 30300 1 2121 . 2 2 100 100 GLN HE21 H 1 7.326 0.03 . 2 . . . . B 1028 GLN HE21 . 30300 1 2122 . 2 2 100 100 GLN HE22 H 1 6.577 0.03 . 2 . . . . B 1028 GLN HE22 . 30300 1 2123 . 2 2 100 100 GLN C C 13 178.613 0.30 . 1 . . . . B 1028 GLN C . 30300 1 2124 . 2 2 100 100 GLN CA C 13 59.920 0.30 . 1 . . . . B 1028 GLN CA . 30300 1 2125 . 2 2 100 100 GLN CB C 13 28.183 0.30 . 1 . . . . B 1028 GLN CB . 30300 1 2126 . 2 2 100 100 GLN CG C 13 33.700 0.30 . 1 . . . . B 1028 GLN CG . 30300 1 2127 . 2 2 100 100 GLN N N 15 118.624 0.30 . 1 . . . . B 1028 GLN N . 30300 1 2128 . 2 2 100 100 GLN NE2 N 15 113.045 0.30 . 1 . . . . B 1028 GLN NE2 . 30300 1 2129 . 2 2 101 101 ARG H H 1 8.085 0.03 . 1 . . . . B 1029 ARG H . 30300 1 2130 . 2 2 101 101 ARG HA H 1 4.049 0.03 . 1 . . . . B 1029 ARG HA . 30300 1 2131 . 2 2 101 101 ARG HB2 H 1 1.892 0.03 . 2 . . . . B 1029 ARG HB2 . 30300 1 2132 . 2 2 101 101 ARG HB3 H 1 1.892 0.03 . 2 . . . . B 1029 ARG HB3 . 30300 1 2133 . 2 2 101 101 ARG HG2 H 1 1.875 0.03 . 2 . . . . B 1029 ARG HG2 . 30300 1 2134 . 2 2 101 101 ARG HG3 H 1 1.647 0.03 . 2 . . . . B 1029 ARG HG3 . 30300 1 2135 . 2 2 101 101 ARG HD2 H 1 3.213 0.03 . 2 . . . . B 1029 ARG HD2 . 30300 1 2136 . 2 2 101 101 ARG HD3 H 1 3.213 0.03 . 2 . . . . B 1029 ARG HD3 . 30300 1 2137 . 2 2 101 101 ARG C C 13 179.067 0.30 . 1 . . . . B 1029 ARG C . 30300 1 2138 . 2 2 101 101 ARG CA C 13 59.758 0.30 . 1 . . . . B 1029 ARG CA . 30300 1 2139 . 2 2 101 101 ARG CB C 13 30.310 0.30 . 1 . . . . B 1029 ARG CB . 30300 1 2140 . 2 2 101 101 ARG CG C 13 27.722 0.30 . 1 . . . . B 1029 ARG CG . 30300 1 2141 . 2 2 101 101 ARG CD C 13 43.495 0.30 . 1 . . . . B 1029 ARG CD . 30300 1 2142 . 2 2 101 101 ARG N N 15 116.533 0.30 . 1 . . . . B 1029 ARG N . 30300 1 2143 . 2 2 102 102 GLU H H 1 7.680 0.03 . 1 . . . . B 1030 GLU H . 30300 1 2144 . 2 2 102 102 GLU HA H 1 4.037 0.03 . 1 . . . . B 1030 GLU HA . 30300 1 2145 . 2 2 102 102 GLU HB2 H 1 1.961 0.03 . 2 . . . . B 1030 GLU HB2 . 30300 1 2146 . 2 2 102 102 GLU HB3 H 1 1.961 0.03 . 2 . . . . B 1030 GLU HB3 . 30300 1 2147 . 2 2 102 102 GLU HG2 H 1 2.452 0.03 . 2 . . . . B 1030 GLU HG2 . 30300 1 2148 . 2 2 102 102 GLU HG3 H 1 2.144 0.03 . 2 . . . . B 1030 GLU HG3 . 30300 1 2149 . 2 2 102 102 GLU C C 13 179.297 0.30 . 1 . . . . B 1030 GLU C . 30300 1 2150 . 2 2 102 102 GLU CA C 13 59.558 0.30 . 1 . . . . B 1030 GLU CA . 30300 1 2151 . 2 2 102 102 GLU CB C 13 30.310 0.30 . 1 . . . . B 1030 GLU CB . 30300 1 2152 . 2 2 102 102 GLU CG C 13 36.259 0.30 . 1 . . . . B 1030 GLU CG . 30300 1 2153 . 2 2 102 102 GLU N N 15 120.984 0.30 . 1 . . . . B 1030 GLU N . 30300 1 2154 . 2 2 103 103 LEU H H 1 8.398 0.03 . 1 . . . . B 1031 LEU H . 30300 1 2155 . 2 2 103 103 LEU HA H 1 4.139 0.03 . 1 . . . . B 1031 LEU HA . 30300 1 2156 . 2 2 103 103 LEU HB2 H 1 1.688 0.03 . 2 . . . . B 1031 LEU HB2 . 30300 1 2157 . 2 2 103 103 LEU HB3 H 1 2.245 0.03 . 2 . . . . B 1031 LEU HB3 . 30300 1 2158 . 2 2 103 103 LEU HG H 1 1.951 0.03 . 1 . . . . B 1031 LEU HG . 30300 1 2159 . 2 2 103 103 LEU HD11 H 1 1.001 0.03 . 2 . . . . B 1031 LEU HD11 . 30300 1 2160 . 2 2 103 103 LEU HD12 H 1 1.001 0.03 . 2 . . . . B 1031 LEU HD12 . 30300 1 2161 . 2 2 103 103 LEU HD13 H 1 1.001 0.03 . 2 . . . . B 1031 LEU HD13 . 30300 1 2162 . 2 2 103 103 LEU HD21 H 1 0.975 0.03 . 2 . . . . B 1031 LEU HD21 . 30300 1 2163 . 2 2 103 103 LEU HD22 H 1 0.975 0.03 . 2 . . . . B 1031 LEU HD22 . 30300 1 2164 . 2 2 103 103 LEU HD23 H 1 0.975 0.03 . 2 . . . . B 1031 LEU HD23 . 30300 1 2165 . 2 2 103 103 LEU C C 13 176.518 0.30 . 1 . . . . B 1031 LEU C . 30300 1 2166 . 2 2 103 103 LEU CA C 13 58.135 0.30 . 1 . . . . B 1031 LEU CA . 30300 1 2167 . 2 2 103 103 LEU CB C 13 42.373 0.30 . 1 . . . . B 1031 LEU CB . 30300 1 2168 . 2 2 103 103 LEU CG C 13 27.840 0.30 . 1 . . . . B 1031 LEU CG . 30300 1 2169 . 2 2 103 103 LEU CD1 C 13 23.675 0.30 . 2 . . . . B 1031 LEU CD1 . 30300 1 2170 . 2 2 103 103 LEU CD2 C 13 26.587 0.30 . 2 . . . . B 1031 LEU CD2 . 30300 1 2171 . 2 2 103 103 LEU N N 15 119.587 0.30 . 1 . . . . B 1031 LEU N . 30300 1 2172 . 2 2 104 104 LYS H H 1 8.594 0.03 . 1 . . . . B 1032 LYS H . 30300 1 2173 . 2 2 104 104 LYS HA H 1 4.052 0.03 . 1 . . . . B 1032 LYS HA . 30300 1 2174 . 2 2 104 104 LYS HB2 H 1 1.993 0.03 . 2 . . . . B 1032 LYS HB2 . 30300 1 2175 . 2 2 104 104 LYS HB3 H 1 1.993 0.03 . 2 . . . . B 1032 LYS HB3 . 30300 1 2176 . 2 2 104 104 LYS HG2 H 1 1.697 0.03 . 2 . . . . B 1032 LYS HG2 . 30300 1 2177 . 2 2 104 104 LYS HG3 H 1 1.490 0.03 . 2 . . . . B 1032 LYS HG3 . 30300 1 2178 . 2 2 104 104 LYS HE2 H 1 2.911 0.03 . 2 . . . . B 1032 LYS HE2 . 30300 1 2179 . 2 2 104 104 LYS HE3 H 1 2.911 0.03 . 2 . . . . B 1032 LYS HE3 . 30300 1 2180 . 2 2 104 104 LYS C C 13 178.572 0.30 . 1 . . . . B 1032 LYS C . 30300 1 2181 . 2 2 104 104 LYS CA C 13 60.017 0.30 . 1 . . . . B 1032 LYS CA . 30300 1 2182 . 2 2 104 104 LYS CB C 13 32.204 0.30 . 1 . . . . B 1032 LYS CB . 30300 1 2183 . 2 2 104 104 LYS CG C 13 25.660 0.30 . 1 . . . . B 1032 LYS CG . 30300 1 2184 . 2 2 104 104 LYS CD C 13 28.730 0.30 . 1 . . . . B 1032 LYS CD . 30300 1 2185 . 2 2 104 104 LYS CE C 13 42.033 0.30 . 1 . . . . B 1032 LYS CE . 30300 1 2186 . 2 2 104 104 LYS N N 15 118.499 0.30 . 1 . . . . B 1032 LYS N . 30300 1 2187 . 2 2 105 105 ALA H H 1 7.952 0.03 . 1 . . . . B 1033 ALA H . 30300 1 2188 . 2 2 105 105 ALA HA H 1 4.233 0.03 . 1 . . . . B 1033 ALA HA . 30300 1 2189 . 2 2 105 105 ALA HB1 H 1 1.509 0.03 . 1 . . . . B 1033 ALA HB1 . 30300 1 2190 . 2 2 105 105 ALA HB2 H 1 1.509 0.03 . 1 . . . . B 1033 ALA HB2 . 30300 1 2191 . 2 2 105 105 ALA HB3 H 1 1.509 0.03 . 1 . . . . B 1033 ALA HB3 . 30300 1 2192 . 2 2 105 105 ALA C C 13 179.845 0.30 . 1 . . . . B 1033 ALA C . 30300 1 2193 . 2 2 105 105 ALA CA C 13 54.590 0.30 . 1 . . . . B 1033 ALA CA . 30300 1 2194 . 2 2 105 105 ALA CB C 13 17.896 0.30 . 1 . . . . B 1033 ALA CB . 30300 1 2195 . 2 2 105 105 ALA N N 15 119.463 0.30 . 1 . . . . B 1033 ALA N . 30300 1 2196 . 2 2 106 106 ALA H H 1 7.680 0.03 . 1 . . . . B 1034 ALA H . 30300 1 2197 . 2 2 106 106 ALA HA H 1 4.147 0.03 . 1 . . . . B 1034 ALA HA . 30300 1 2198 . 2 2 106 106 ALA HB1 H 1 1.393 0.03 . 1 . . . . B 1034 ALA HB1 . 30300 1 2199 . 2 2 106 106 ALA HB2 H 1 1.393 0.03 . 1 . . . . B 1034 ALA HB2 . 30300 1 2200 . 2 2 106 106 ALA HB3 H 1 1.393 0.03 . 1 . . . . B 1034 ALA HB3 . 30300 1 2201 . 2 2 106 106 ALA C C 13 180.083 0.30 . 1 . . . . B 1034 ALA C . 30300 1 2202 . 2 2 106 106 ALA CA C 13 54.393 0.30 . 1 . . . . B 1034 ALA CA . 30300 1 2203 . 2 2 106 106 ALA CB C 13 18.480 0.30 . 1 . . . . B 1034 ALA CB . 30300 1 2204 . 2 2 106 106 ALA N N 15 120.984 0.30 . 1 . . . . B 1034 ALA N . 30300 1 2205 . 2 2 107 107 TYR H H 1 8.178 0.03 . 1 . . . . B 1035 TYR H . 30300 1 2206 . 2 2 107 107 TYR HA H 1 4.314 0.03 . 1 . . . . B 1035 TYR HA . 30300 1 2207 . 2 2 107 107 TYR HB2 H 1 2.798 0.03 . 2 . . . . B 1035 TYR HB2 . 30300 1 2208 . 2 2 107 107 TYR HB3 H 1 3.059 0.03 . 2 . . . . B 1035 TYR HB3 . 30300 1 2209 . 2 2 107 107 TYR HD1 H 1 7.194 0.03 . 3 . . . . B 1035 TYR HD1 . 30300 1 2210 . 2 2 107 107 TYR HD2 H 1 7.194 0.03 . 3 . . . . B 1035 TYR HD2 . 30300 1 2211 . 2 2 107 107 TYR HE1 H 1 6.834 0.03 . 3 . . . . B 1035 TYR HE1 . 30300 1 2212 . 2 2 107 107 TYR HE2 H 1 6.834 0.03 . 3 . . . . B 1035 TYR HE2 . 30300 1 2213 . 2 2 107 107 TYR C C 13 177.822 0.30 . 1 . . . . B 1035 TYR C . 30300 1 2214 . 2 2 107 107 TYR CA C 13 61.304 0.30 . 1 . . . . B 1035 TYR CA . 30300 1 2215 . 2 2 107 107 TYR CB C 13 38.275 0.30 . 1 . . . . B 1035 TYR CB . 30300 1 2216 . 2 2 107 107 TYR CD1 C 13 132.984 0.30 . 3 . . . . B 1035 TYR CD1 . 30300 1 2217 . 2 2 107 107 TYR CD2 C 13 132.984 0.30 . 3 . . . . B 1035 TYR CD2 . 30300 1 2218 . 2 2 107 107 TYR CE1 C 13 117.811 0.30 . 3 . . . . B 1035 TYR CE1 . 30300 1 2219 . 2 2 107 107 TYR CE2 C 13 117.811 0.30 . 3 . . . . B 1035 TYR CE2 . 30300 1 2220 . 2 2 107 107 TYR N N 15 117.089 0.30 . 1 . . . . B 1035 TYR N . 30300 1 2221 . 2 2 108 108 ASP H H 1 8.254 0.03 . 1 . . . . B 1036 ASP H . 30300 1 2222 . 2 2 108 108 ASP HA H 1 4.530 0.03 . 1 . . . . B 1036 ASP HA . 30300 1 2223 . 2 2 108 108 ASP HB2 H 1 2.747 0.03 . 2 . . . . B 1036 ASP HB2 . 30300 1 2224 . 2 2 108 108 ASP HB3 H 1 2.746 0.03 . 2 . . . . B 1036 ASP HB3 . 30300 1 2225 . 2 2 108 108 ASP C C 13 176.981 0.30 . 1 . . . . B 1036 ASP C . 30300 1 2226 . 2 2 108 108 ASP CA C 13 56.090 0.30 . 1 . . . . B 1036 ASP CA . 30300 1 2227 . 2 2 108 108 ASP CB C 13 40.744 0.30 . 1 . . . . B 1036 ASP CB . 30300 1 2228 . 2 2 108 108 ASP N N 15 120.252 0.30 . 1 . . . . B 1036 ASP N . 30300 1 2229 . 2 2 109 109 GLN H H 1 7.818 0.03 . 1 . . . . B 1037 GLN H . 30300 1 2230 . 2 2 109 109 GLN HA H 1 4.301 0.03 . 1 . . . . B 1037 GLN HA . 30300 1 2231 . 2 2 109 109 GLN HB2 H 1 2.216 0.03 . 2 . . . . B 1037 GLN HB2 . 30300 1 2232 . 2 2 109 109 GLN HB3 H 1 2.028 0.03 . 2 . . . . B 1037 GLN HB3 . 30300 1 2233 . 2 2 109 109 GLN HG2 H 1 2.397 0.03 . 2 . . . . B 1037 GLN HG2 . 30300 1 2234 . 2 2 109 109 GLN HG3 H 1 2.397 0.03 . 2 . . . . B 1037 GLN HG3 . 30300 1 2235 . 2 2 109 109 GLN C C 13 176.115 0.30 . 1 . . . . B 1037 GLN C . 30300 1 2236 . 2 2 109 109 GLN CA C 13 56.090 0.30 . 1 . . . . B 1037 GLN CA . 30300 1 2237 . 2 2 109 109 GLN CB C 13 29.180 0.30 . 1 . . . . B 1037 GLN CB . 30300 1 2238 . 2 2 109 109 GLN CG C 13 33.867 0.30 . 1 . . . . B 1037 GLN CG . 30300 1 2239 . 2 2 109 109 GLN N N 15 118.121 0.30 . 1 . . . . B 1037 GLN N . 30300 1 2240 . 2 2 110 110 ARG H H 1 7.980 0.03 . 1 . . . . B 1038 ARG H . 30300 1 2241 . 2 2 110 110 ARG HA H 1 4.359 0.03 . 1 . . . . B 1038 ARG HA . 30300 1 2242 . 2 2 110 110 ARG HB2 H 1 1.734 0.03 . 2 . . . . B 1038 ARG HB2 . 30300 1 2243 . 2 2 110 110 ARG HB3 H 1 1.868 0.03 . 2 . . . . B 1038 ARG HB3 . 30300 1 2244 . 2 2 110 110 ARG HG2 H 1 1.640 0.03 . 2 . . . . B 1038 ARG HG2 . 30300 1 2245 . 2 2 110 110 ARG HG3 H 1 1.640 0.03 . 2 . . . . B 1038 ARG HG3 . 30300 1 2246 . 2 2 110 110 ARG HD2 H 1 3.214 0.03 . 2 . . . . B 1038 ARG HD2 . 30300 1 2247 . 2 2 110 110 ARG HD3 H 1 3.214 0.03 . 2 . . . . B 1038 ARG HD3 . 30300 1 2248 . 2 2 110 110 ARG C C 13 175.390 0.30 . 1 . . . . B 1038 ARG C . 30300 1 2249 . 2 2 110 110 ARG CA C 13 56.325 0.30 . 1 . . . . B 1038 ARG CA . 30300 1 2250 . 2 2 110 110 ARG CB C 13 30.709 0.30 . 1 . . . . B 1038 ARG CB . 30300 1 2251 . 2 2 110 110 ARG CG C 13 27.054 0.30 . 1 . . . . B 1038 ARG CG . 30300 1 2252 . 2 2 110 110 ARG CD C 13 43.461 0.30 . 1 . . . . B 1038 ARG CD . 30300 1 2253 . 2 2 110 110 ARG N N 15 121.162 0.30 . 1 . . . . B 1038 ARG N . 30300 1 2254 . 2 2 111 111 GLN H H 1 7.940 0.03 . 1 . . . . B 1039 GLN H . 30300 1 2255 . 2 2 111 111 GLN HA H 1 4.194 0.03 . 1 . . . . B 1039 GLN HA . 30300 1 2256 . 2 2 111 111 GLN HB2 H 1 2.137 0.03 . 2 . . . . B 1039 GLN HB2 . 30300 1 2257 . 2 2 111 111 GLN HB3 H 1 1.943 0.03 . 2 . . . . B 1039 GLN HB3 . 30300 1 2258 . 2 2 111 111 GLN HG2 H 1 2.339 0.03 . 2 . . . . B 1039 GLN HG2 . 30300 1 2259 . 2 2 111 111 GLN HG3 H 1 2.339 0.03 . 2 . . . . B 1039 GLN HG3 . 30300 1 2260 . 2 2 111 111 GLN C C 13 180.658 0.30 . 1 . . . . B 1039 GLN C . 30300 1 2261 . 2 2 111 111 GLN CA C 13 57.524 0.30 . 1 . . . . B 1039 GLN CA . 30300 1 2262 . 2 2 111 111 GLN CB C 13 30.339 0.30 . 1 . . . . B 1039 GLN CB . 30300 1 2263 . 2 2 111 111 GLN CG C 13 34.358 0.30 . 1 . . . . B 1039 GLN CG . 30300 1 2264 . 2 2 111 111 GLN N N 15 126.002 0.30 . 1 . . . . B 1039 GLN N . 30300 1 stop_ save_