data_5677 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5677 _Entry.Title ; 1H, 13C, and 15N assignment of the Focal Adhesion Targeting Domain of Focal Adhesion Kinase ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-01-24 _Entry.Accession_date 2003-01-27 _Entry.Last_release_date 2004-03-15 _Entry.Original_release_date 2004-03-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Kirk Prutzman . C . 5677 2 Guanghua Gao . . . 5677 3 Michael Schaller . D . 5677 4 Sharon Campbell . L . 5677 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5677 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 803 5677 '13C chemical shifts' 560 5677 '15N chemical shifts' 143 5677 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-03-15 2003-01-24 original author . 5677 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5677 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14662767 _Citation.Full_citation . _Citation.Title ; NMR solution structure of the focal adhesion targeting domain of focal adhesion kinase in complex with a paxillin LD peptide: evidence for a two-site binding model. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8441 _Citation.Page_last 8451 _Citation.Year 2004 _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.Entry_ID _Citation_author.Citation_ID 1 Guanghua Gao . . . 5677 1 2 Kirk Prutzman . C . 5677 1 3 M King . L . 5677 1 4 D Scheswohl . M . 5677 1 5 E DeRose . F . 5677 1 6 R London . E . 5677 1 7 Michael Schaller . D . 5677 1 8 Sharon Campbell . L . 5677 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FAT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FAT _Assembly.Entry_ID 5677 _Assembly.ID 1 _Assembly.Name 'focal adhesion targeting domain of focal adhesion kinase' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5677 1 stop_ 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 FAT 1 $FAT . . . native . . . . . 5677 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . pdb 1K04 . . . . . 'Crystal structure of human FAT-domain in the homodimer form' 5677 1 . pdb 1K05 . . . . . 'Crystal structure of human FAT-domain in the monomer form' 5677 1 . pdb 1K40 . . . . . 'Crystal structure of mouse FAT-domain in the monomer form' 5677 1 . pdb 1KTM . . . . . 'Solution structure of chicken FAT-domain liganded to a paxillin peptide' 5677 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'focal adhesion targeting domain of focal adhesion kinase' system 5677 1 FAT abbreviation 5677 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'binds paxillin' 5677 1 'binds grb2' 5677 1 'binds talin' 5677 1 'targets FAK to focal adhesions' 5677 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAT _Entity.Sf_category entity _Entity.Sf_framecode FAT _Entity.Entry_ID 5677 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'focal adhesion targeting domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPGISGGGGGIRSNDKVYE NVTGLVKAVIEMSSKIQPAP PEEYVPMVKEVGLALRTLLA TVDESLPVLPASTHREIEMA QKLLNSDLAELINKMKLAQQ YVMTSLQQEYKKQMLTAAHA LAVDAKNLLDVIDQARLKMI SQSRPH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15878 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5266 . FAT . . . . . 91.78 139 100.00 100.00 1.54e-89 . . . . 5677 1 2 no BMRB 5924 . FAT . . . . . 91.78 134 100.00 100.00 1.35e-89 . . . . 5677 1 3 no PDB 1KTM . "Solution Structure Of Fat Domain Of Focal Adhesion Kinase" . . . . . 91.78 139 100.00 100.00 1.38e-89 . . . . 5677 1 4 no PDB 1PV3 . "Nmr Solution Structure Of The Avian Fat-Domain Of Focal Adhesion Kinase" . . . . . 100.00 146 100.00 100.00 1.40e-99 . . . . 5677 1 5 no PDB 1QVX . "Solution Structure Of The Fat Domain Of Focal Adhesion Kinase" . . . . . 91.78 134 100.00 100.00 1.35e-89 . . . . 5677 1 6 no PDB 2L6F . "Nmr Solution Structure Of Fat Domain Of Fak Complexed With Ld2 And Ld4 Motifs Of Paxillin" . . . . . 91.78 215 100.00 100.00 8.92e-90 . . . . 5677 1 7 no PDB 2L6G . "Fat-ld2 Double Labeled Construct With Free Ld4 Peptide" . . . . . 91.78 176 100.00 100.00 1.11e-88 . . . . 5677 1 8 no PDB 2L6H . "Fat Domain Of Focal Adhesion Kinase Tethered To Ld4 Motif Of Paxillin Via Ggs Linker" . . . . . 91.78 180 100.00 100.00 7.63e-90 . . . . 5677 1 9 no GB AAA48765 . "focal adhesion kinase [Gallus gallus]" . . . . . 91.78 1053 100.00 100.00 2.39e-80 . . . . 5677 1 10 no GB AAA48773 . "protein-tyrosine kinase [Gallus gallus]" . . . . . 91.78 359 99.25 99.25 2.77e-84 . . . . 5677 1 11 no GB EMC80181 . "Focal adhesion kinase 1, partial [Columba livia]" . . . . . 91.78 1043 99.25 100.00 8.52e-80 . . . . 5677 1 12 no GB EOA99770 . "Focal adhesion kinase 1, partial [Anas platyrhynchos]" . . . . . 91.78 1068 99.25 100.00 4.53e-80 . . . . 5677 1 13 no GB KFM11460 . "Focal adhesion kinase 1, partial [Aptenodytes forsteri]" . . . . . 91.78 1065 99.25 100.00 4.39e-80 . . . . 5677 1 14 no REF NP_990766 . "focal adhesion kinase 1 [Gallus gallus]" . . . . . 91.78 1053 100.00 100.00 2.39e-80 . . . . 5677 1 15 no REF XP_002191290 . "PREDICTED: focal adhesion kinase 1 isoform 1 [Taeniopygia guttata]" . . . . . 91.78 1051 97.76 99.25 3.76e-77 . . . . 5677 1 16 no REF XP_004174254 . "PREDICTED: focal adhesion kinase 1 isoform 2 [Taeniopygia guttata]" . . . . . 91.78 1054 97.76 99.25 3.80e-77 . . . . 5677 1 17 no REF XP_005021656 . "PREDICTED: focal adhesion kinase 1 isoform X1 [Anas platyrhynchos]" . . . . . 91.78 1099 99.25 100.00 5.59e-80 . . . . 5677 1 18 no REF XP_005021657 . "PREDICTED: focal adhesion kinase 1 isoform X2 [Anas platyrhynchos]" . . . . . 91.78 1096 99.25 100.00 5.48e-80 . . . . 5677 1 19 no SP Q00944 . "RecName: Full=Focal adhesion kinase 1; Short=FADK 1; AltName: Full=Focal adhesion kinase-related nonkinase; Short=FRNK; Short=p" . . . . . 91.78 1053 100.00 100.00 2.39e-80 . . . . 5677 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'focal adhesion targeting domain' common 5677 1 FAT abbreviation 5677 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 908 GLY . 5677 1 2 909 SER . 5677 1 3 910 PRO . 5677 1 4 911 GLY . 5677 1 5 912 ILE . 5677 1 6 913 SER . 5677 1 7 914 GLY . 5677 1 8 915 GLY . 5677 1 9 916 GLY . 5677 1 10 917 GLY . 5677 1 11 918 GLY . 5677 1 12 919 ILE . 5677 1 13 920 ARG . 5677 1 14 921 SER . 5677 1 15 922 ASN . 5677 1 16 923 ASP . 5677 1 17 924 LYS . 5677 1 18 925 VAL . 5677 1 19 926 TYR . 5677 1 20 927 GLU . 5677 1 21 928 ASN . 5677 1 22 929 VAL . 5677 1 23 930 THR . 5677 1 24 931 GLY . 5677 1 25 932 LEU . 5677 1 26 933 VAL . 5677 1 27 934 LYS . 5677 1 28 935 ALA . 5677 1 29 936 VAL . 5677 1 30 937 ILE . 5677 1 31 938 GLU . 5677 1 32 939 MET . 5677 1 33 940 SER . 5677 1 34 941 SER . 5677 1 35 942 LYS . 5677 1 36 943 ILE . 5677 1 37 944 GLN . 5677 1 38 945 PRO . 5677 1 39 946 ALA . 5677 1 40 947 PRO . 5677 1 41 948 PRO . 5677 1 42 949 GLU . 5677 1 43 950 GLU . 5677 1 44 951 TYR . 5677 1 45 952 VAL . 5677 1 46 953 PRO . 5677 1 47 954 MET . 5677 1 48 955 VAL . 5677 1 49 956 LYS . 5677 1 50 957 GLU . 5677 1 51 958 VAL . 5677 1 52 959 GLY . 5677 1 53 960 LEU . 5677 1 54 961 ALA . 5677 1 55 962 LEU . 5677 1 56 963 ARG . 5677 1 57 964 THR . 5677 1 58 965 LEU . 5677 1 59 966 LEU . 5677 1 60 967 ALA . 5677 1 61 968 THR . 5677 1 62 969 VAL . 5677 1 63 970 ASP . 5677 1 64 971 GLU . 5677 1 65 972 SER . 5677 1 66 973 LEU . 5677 1 67 974 PRO . 5677 1 68 975 VAL . 5677 1 69 976 LEU . 5677 1 70 977 PRO . 5677 1 71 978 ALA . 5677 1 72 979 SER . 5677 1 73 980 THR . 5677 1 74 981 HIS . 5677 1 75 982 ARG . 5677 1 76 983 GLU . 5677 1 77 984 ILE . 5677 1 78 985 GLU . 5677 1 79 986 MET . 5677 1 80 987 ALA . 5677 1 81 988 GLN . 5677 1 82 989 LYS . 5677 1 83 990 LEU . 5677 1 84 991 LEU . 5677 1 85 992 ASN . 5677 1 86 993 SER . 5677 1 87 994 ASP . 5677 1 88 995 LEU . 5677 1 89 996 ALA . 5677 1 90 997 GLU . 5677 1 91 998 LEU . 5677 1 92 999 ILE . 5677 1 93 1000 ASN . 5677 1 94 1001 LYS . 5677 1 95 1002 MET . 5677 1 96 1003 LYS . 5677 1 97 1004 LEU . 5677 1 98 1005 ALA . 5677 1 99 1006 GLN . 5677 1 100 1007 GLN . 5677 1 101 1008 TYR . 5677 1 102 1009 VAL . 5677 1 103 1010 MET . 5677 1 104 1011 THR . 5677 1 105 1012 SER . 5677 1 106 1013 LEU . 5677 1 107 1014 GLN . 5677 1 108 1015 GLN . 5677 1 109 1016 GLU . 5677 1 110 1017 TYR . 5677 1 111 1018 LYS . 5677 1 112 1019 LYS . 5677 1 113 1020 GLN . 5677 1 114 1021 MET . 5677 1 115 1022 LEU . 5677 1 116 1023 THR . 5677 1 117 1024 ALA . 5677 1 118 1025 ALA . 5677 1 119 1026 HIS . 5677 1 120 1027 ALA . 5677 1 121 1028 LEU . 5677 1 122 1029 ALA . 5677 1 123 1030 VAL . 5677 1 124 1031 ASP . 5677 1 125 1032 ALA . 5677 1 126 1033 LYS . 5677 1 127 1034 ASN . 5677 1 128 1035 LEU . 5677 1 129 1036 LEU . 5677 1 130 1037 ASP . 5677 1 131 1038 VAL . 5677 1 132 1039 ILE . 5677 1 133 1040 ASP . 5677 1 134 1041 GLN . 5677 1 135 1042 ALA . 5677 1 136 1043 ARG . 5677 1 137 1044 LEU . 5677 1 138 1045 LYS . 5677 1 139 1046 MET . 5677 1 140 1047 ILE . 5677 1 141 1048 SER . 5677 1 142 1049 GLN . 5677 1 143 1050 SER . 5677 1 144 1051 ARG . 5677 1 145 1052 PRO . 5677 1 146 1053 HIS . 5677 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5677 1 . SER 2 2 5677 1 . PRO 3 3 5677 1 . GLY 4 4 5677 1 . ILE 5 5 5677 1 . SER 6 6 5677 1 . GLY 7 7 5677 1 . GLY 8 8 5677 1 . GLY 9 9 5677 1 . GLY 10 10 5677 1 . GLY 11 11 5677 1 . ILE 12 12 5677 1 . ARG 13 13 5677 1 . SER 14 14 5677 1 . ASN 15 15 5677 1 . ASP 16 16 5677 1 . LYS 17 17 5677 1 . VAL 18 18 5677 1 . TYR 19 19 5677 1 . GLU 20 20 5677 1 . ASN 21 21 5677 1 . VAL 22 22 5677 1 . THR 23 23 5677 1 . GLY 24 24 5677 1 . LEU 25 25 5677 1 . VAL 26 26 5677 1 . LYS 27 27 5677 1 . ALA 28 28 5677 1 . VAL 29 29 5677 1 . ILE 30 30 5677 1 . GLU 31 31 5677 1 . MET 32 32 5677 1 . SER 33 33 5677 1 . SER 34 34 5677 1 . LYS 35 35 5677 1 . ILE 36 36 5677 1 . GLN 37 37 5677 1 . PRO 38 38 5677 1 . ALA 39 39 5677 1 . PRO 40 40 5677 1 . PRO 41 41 5677 1 . GLU 42 42 5677 1 . GLU 43 43 5677 1 . TYR 44 44 5677 1 . VAL 45 45 5677 1 . PRO 46 46 5677 1 . MET 47 47 5677 1 . VAL 48 48 5677 1 . LYS 49 49 5677 1 . GLU 50 50 5677 1 . VAL 51 51 5677 1 . GLY 52 52 5677 1 . LEU 53 53 5677 1 . ALA 54 54 5677 1 . LEU 55 55 5677 1 . ARG 56 56 5677 1 . THR 57 57 5677 1 . LEU 58 58 5677 1 . LEU 59 59 5677 1 . ALA 60 60 5677 1 . THR 61 61 5677 1 . VAL 62 62 5677 1 . ASP 63 63 5677 1 . GLU 64 64 5677 1 . SER 65 65 5677 1 . LEU 66 66 5677 1 . PRO 67 67 5677 1 . VAL 68 68 5677 1 . LEU 69 69 5677 1 . PRO 70 70 5677 1 . ALA 71 71 5677 1 . SER 72 72 5677 1 . THR 73 73 5677 1 . HIS 74 74 5677 1 . ARG 75 75 5677 1 . GLU 76 76 5677 1 . ILE 77 77 5677 1 . GLU 78 78 5677 1 . MET 79 79 5677 1 . ALA 80 80 5677 1 . GLN 81 81 5677 1 . LYS 82 82 5677 1 . LEU 83 83 5677 1 . LEU 84 84 5677 1 . ASN 85 85 5677 1 . SER 86 86 5677 1 . ASP 87 87 5677 1 . LEU 88 88 5677 1 . ALA 89 89 5677 1 . GLU 90 90 5677 1 . LEU 91 91 5677 1 . ILE 92 92 5677 1 . ASN 93 93 5677 1 . LYS 94 94 5677 1 . MET 95 95 5677 1 . LYS 96 96 5677 1 . LEU 97 97 5677 1 . ALA 98 98 5677 1 . GLN 99 99 5677 1 . GLN 100 100 5677 1 . TYR 101 101 5677 1 . VAL 102 102 5677 1 . MET 103 103 5677 1 . THR 104 104 5677 1 . SER 105 105 5677 1 . LEU 106 106 5677 1 . GLN 107 107 5677 1 . GLN 108 108 5677 1 . GLU 109 109 5677 1 . TYR 110 110 5677 1 . LYS 111 111 5677 1 . LYS 112 112 5677 1 . GLN 113 113 5677 1 . MET 114 114 5677 1 . LEU 115 115 5677 1 . THR 116 116 5677 1 . ALA 117 117 5677 1 . ALA 118 118 5677 1 . HIS 119 119 5677 1 . ALA 120 120 5677 1 . LEU 121 121 5677 1 . ALA 122 122 5677 1 . VAL 123 123 5677 1 . ASP 124 124 5677 1 . ALA 125 125 5677 1 . LYS 126 126 5677 1 . ASN 127 127 5677 1 . LEU 128 128 5677 1 . LEU 129 129 5677 1 . ASP 130 130 5677 1 . VAL 131 131 5677 1 . ILE 132 132 5677 1 . ASP 133 133 5677 1 . GLN 134 134 5677 1 . ALA 135 135 5677 1 . ARG 136 136 5677 1 . LEU 137 137 5677 1 . LYS 138 138 5677 1 . MET 139 139 5677 1 . ILE 140 140 5677 1 . SER 141 141 5677 1 . GLN 142 142 5677 1 . SER 143 143 5677 1 . ARG 144 144 5677 1 . PRO 145 145 5677 1 . HIS 146 146 5677 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5677 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FAT . 9031 . . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 5677 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 5677 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FAT . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL 21' . . . . . . . . . . . . plasmid . . pGEX . . . . . . 5677 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5677 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'focal adhesion targeting domain' '[U-13C; U-15N]' . . 1 $FAT . . 0.85 . . mM . . . . 5677 1 stop_ save_ ####################### # Sample conditions # ####################### save_FAT-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode FAT-cond _Sample_condition_list.Entry_ID 5677 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5677 1 temperature 310 0.2 K 5677 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 5677 _Software.ID 1 _Software.Name NMRview _Software.Version 5.0.4 _Software.Details . save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5677 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . 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 5677 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5677 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5677 _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 Varian INOVA . 800 . . . 5677 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 5677 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 5677 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5677 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal cylindrical . . . . . . . 5677 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5677 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $FAT-cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Sample_1 . 5677 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 174.573 0.05 . 1 . . . . . . . . 5677 1 2 . 1 1 2 2 SER N N 15 117.489 0.05 . 1 . . . . . . . . 5677 1 3 . 1 1 2 2 SER H H 1 8.518 0.02 . 1 . . . . . . . . 5677 1 4 . 1 1 3 3 PRO CA C 13 63.735 0.05 . 1 . . . . . . . . 5677 1 5 . 1 1 3 3 PRO CB C 13 32.179 0.05 . 1 . . . . . . . . 5677 1 6 . 1 1 3 3 PRO CG C 13 27.426 0.05 . 1 . . . . . . . . 5677 1 7 . 1 1 3 3 PRO CD C 13 51.139 0.05 . 1 . . . . . . . . 5677 1 8 . 1 1 4 4 GLY N N 15 108.914 0.05 . 1 . . . . . . . . 5677 1 9 . 1 1 4 4 GLY H H 1 8.453 0.02 . 1 . . . . . . . . 5677 1 10 . 1 1 4 4 GLY CA C 13 45.411 0.05 . 1 . . . . . . . . 5677 1 11 . 1 1 4 4 GLY C C 13 174.244 0.05 . 1 . . . . . . . . 5677 1 12 . 1 1 5 5 ILE N N 15 119.762 0.05 . 1 . . . . . . . . 5677 1 13 . 1 1 5 5 ILE H H 1 8.056 0.02 . 1 . . . . . . . . 5677 1 14 . 1 1 5 5 ILE CA C 13 61.188 0.05 . 1 . . . . . . . . 5677 1 15 . 1 1 5 5 ILE CB C 13 38.970 0.05 . 1 . . . . . . . . 5677 1 16 . 1 1 5 5 ILE CG1 C 13 27.288 0.05 . 2 . . . . . . . . 5677 1 17 . 1 1 5 5 ILE CD1 C 13 13.185 0.05 . 1 . . . . . . . . 5677 1 18 . 1 1 5 5 ILE CG2 C 13 17.679 0.05 . 1 . . . . . . . . 5677 1 19 . 1 1 5 5 ILE C C 13 176.575 0.05 . 1 . . . . . . . . 5677 1 20 . 1 1 6 6 SER N N 15 119.698 0.05 . 1 . . . . . . . . 5677 1 21 . 1 1 6 6 SER H H 1 8.498 0.02 . 1 . . . . . . . . 5677 1 22 . 1 1 6 6 SER CA C 13 58.568 0.05 . 1 . . . . . . . . 5677 1 23 . 1 1 6 6 SER CB C 13 63.896 0.05 . 1 . . . . . . . . 5677 1 24 . 1 1 6 6 SER C C 13 175.191 0.05 . 1 . . . . . . . . 5677 1 25 . 1 1 7 7 GLY N N 15 111.095 0.05 . 1 . . . . . . . . 5677 1 26 . 1 1 7 7 GLY H H 1 8.511 0.02 . 1 . . . . . . . . 5677 1 27 . 1 1 7 7 GLY CA C 13 45.560 0.05 . 1 . . . . . . . . 5677 1 28 . 1 1 10 10 GLY C C 13 174.851 0.05 . 1 . . . . . . . . 5677 1 29 . 1 1 11 11 GLY N N 15 108.842 0.05 . 1 . . . . . . . . 5677 1 30 . 1 1 11 11 GLY H H 1 8.374 0.02 . 1 . . . . . . . . 5677 1 31 . 1 1 11 11 GLY CA C 13 45.311 0.05 . 1 . . . . . . . . 5677 1 32 . 1 1 11 11 GLY HA3 H 1 4.019 0.02 . 1 . . . . . . . . 5677 1 33 . 1 1 11 11 GLY HA2 H 1 4.019 0.02 . 1 . . . . . . . . 5677 1 34 . 1 1 11 11 GLY C C 13 174.406 0.05 . 1 . . . . . . . . 5677 1 35 . 1 1 12 12 ILE N N 15 120.174 0.05 . 1 . . . . . . . . 5677 1 36 . 1 1 12 12 ILE H H 1 8.130 0.02 . 1 . . . . . . . . 5677 1 37 . 1 1 12 12 ILE CA C 13 61.488 0.05 . 1 . . . . . . . . 5677 1 38 . 1 1 12 12 ILE HA H 1 4.266 0.02 . 1 . . . . . . . . 5677 1 39 . 1 1 12 12 ILE CB C 13 38.670 0.05 . 1 . . . . . . . . 5677 1 40 . 1 1 12 12 ILE HB H 1 1.991 0.02 . 1 . . . . . . . . 5677 1 41 . 1 1 12 12 ILE CG1 C 13 27.495 0.05 . 2 . . . . . . . . 5677 1 42 . 1 1 12 12 ILE HG13 H 1 1.565 0.02 . 1 . . . . . . . . 5677 1 43 . 1 1 12 12 ILE HG12 H 1 1.307 0.02 . 1 . . . . . . . . 5677 1 44 . 1 1 12 12 ILE CD1 C 13 13.185 0.05 . 1 . . . . . . . . 5677 1 45 . 1 1 12 12 ILE HD11 H 1 1.003 0.02 . 1 . . . . . . . . 5677 1 46 . 1 1 12 12 ILE HD12 H 1 1.003 0.02 . 1 . . . . . . . . 5677 1 47 . 1 1 12 12 ILE HD13 H 1 1.003 0.02 . 1 . . . . . . . . 5677 1 48 . 1 1 12 12 ILE CG2 C 13 17.748 0.05 . 1 . . . . . . . . 5677 1 49 . 1 1 12 12 ILE HG21 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 50 . 1 1 12 12 ILE HG22 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 51 . 1 1 12 12 ILE HG23 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 52 . 1 1 12 12 ILE C C 13 176.523 0.05 . 1 . . . . . . . . 5677 1 53 . 1 1 13 13 ARG N N 15 123.953 0.05 . 1 . . . . . . . . 5677 1 54 . 1 1 13 13 ARG H H 1 8.437 0.02 . 1 . . . . . . . . 5677 1 55 . 1 1 13 13 ARG CA C 13 55.846 0.05 . 1 . . . . . . . . 5677 1 56 . 1 1 13 13 ARG HA H 1 4.491 0.02 . 1 . . . . . . . . 5677 1 57 . 1 1 13 13 ARG CB C 13 30.781 0.05 . 1 . . . . . . . . 5677 1 58 . 1 1 13 13 ARG HB3 H 1 1.905 0.02 . 2 . . . . . . . . 5677 1 59 . 1 1 13 13 ARG HB2 H 1 1.778 0.02 . 2 . . . . . . . . 5677 1 60 . 1 1 13 13 ARG CG C 13 27.091 0.05 . 1 . . . . . . . . 5677 1 61 . 1 1 13 13 ARG HG3 H 1 1.620 0.02 . 2 . . . . . . . . 5677 1 62 . 1 1 13 13 ARG HG2 H 1 1.518 0.02 . 2 . . . . . . . . 5677 1 63 . 1 1 13 13 ARG CD C 13 43.396 0.05 . 1 . . . . . . . . 5677 1 64 . 1 1 13 13 ARG HD3 H 1 3.156 0.02 . 2 . . . . . . . . 5677 1 65 . 1 1 13 13 ARG HD2 H 1 3.042 0.02 . 2 . . . . . . . . 5677 1 66 . 1 1 13 13 ARG C C 13 176.432 0.05 . 1 . . . . . . . . 5677 1 67 . 1 1 14 14 SER N N 15 116.715 0.05 . 1 . . . . . . . . 5677 1 68 . 1 1 14 14 SER H H 1 8.261 0.02 . 1 . . . . . . . . 5677 1 69 . 1 1 14 14 SER CA C 13 58.892 0.05 . 1 . . . . . . . . 5677 1 70 . 1 1 14 14 SER HA H 1 4.483 0.02 . 1 . . . . . . . . 5677 1 71 . 1 1 14 14 SER CB C 13 63.735 0.05 . 1 . . . . . . . . 5677 1 72 . 1 1 14 14 SER HB3 H 1 3.973 0.02 . 1 . . . . . . . . 5677 1 73 . 1 1 14 14 SER HB2 H 1 3.973 0.02 . 1 . . . . . . . . 5677 1 74 . 1 1 14 14 SER C C 13 174.680 0.05 . 1 . . . . . . . . 5677 1 75 . 1 1 15 15 ASN N N 15 120.485 0.05 . 1 . . . . . . . . 5677 1 76 . 1 1 15 15 ASN H H 1 8.702 0.02 . 1 . . . . . . . . 5677 1 77 . 1 1 15 15 ASN CA C 13 53.849 0.05 . 1 . . . . . . . . 5677 1 78 . 1 1 15 15 ASN HA H 1 4.768 0.02 . 1 . . . . . . . . 5677 1 79 . 1 1 15 15 ASN CB C 13 38.570 0.05 . 1 . . . . . . . . 5677 1 80 . 1 1 15 15 ASN HB3 H 1 3.008 0.02 . 2 . . . . . . . . 5677 1 81 . 1 1 15 15 ASN HB2 H 1 2.921 0.02 . 2 . . . . . . . . 5677 1 82 . 1 1 15 15 ASN ND2 N 15 112.345 0.05 . 1 . . . . . . . . 5677 1 83 . 1 1 15 15 ASN HD21 H 1 6.953 0.02 . 2 . . . . . . . . 5677 1 84 . 1 1 15 15 ASN HD22 H 1 7.687 0.02 . 2 . . . . . . . . 5677 1 85 . 1 1 15 15 ASN C C 13 174.927 0.05 . 1 . . . . . . . . 5677 1 86 . 1 1 16 16 ASP N N 15 120.031 0.05 . 1 . . . . . . . . 5677 1 87 . 1 1 16 16 ASP H H 1 8.260 0.02 . 1 . . . . . . . . 5677 1 88 . 1 1 16 16 ASP CA C 13 54.648 0.05 . 1 . . . . . . . . 5677 1 89 . 1 1 16 16 ASP HA H 1 4.817 0.02 . 1 . . . . . . . . 5677 1 90 . 1 1 16 16 ASP CB C 13 41.516 0.05 . 1 . . . . . . . . 5677 1 91 . 1 1 16 16 ASP HB3 H 1 3.029 0.02 . 2 . . . . . . . . 5677 1 92 . 1 1 16 16 ASP HB2 H 1 2.737 0.02 . 2 . . . . . . . . 5677 1 93 . 1 1 16 16 ASP C C 13 174.169 0.05 . 1 . . . . . . . . 5677 1 94 . 1 1 17 17 LYS N N 15 123.464 0.05 . 1 . . . . . . . . 5677 1 95 . 1 1 17 17 LYS H H 1 8.467 0.02 . 1 . . . . . . . . 5677 1 96 . 1 1 17 17 LYS CA C 13 58.549 0.05 . 1 . . . . . . . . 5677 1 97 . 1 1 17 17 LYS HA H 1 4.274 0.02 . 1 . . . . . . . . 5677 1 98 . 1 1 17 17 LYS CB C 13 32.488 0.05 . 1 . . . . . . . . 5677 1 99 . 1 1 17 17 LYS HB3 H 1 1.965 0.02 . 1 . . . . . . . . 5677 1 100 . 1 1 17 17 LYS HB2 H 1 1.965 0.02 . 1 . . . . . . . . 5677 1 101 . 1 1 17 17 LYS CG C 13 24.938 0.05 . 1 . . . . . . . . 5677 1 102 . 1 1 17 17 LYS HG3 H 1 1.641 0.02 . 1 . . . . . . . . 5677 1 103 . 1 1 17 17 LYS HG2 H 1 1.641 0.02 . 1 . . . . . . . . 5677 1 104 . 1 1 17 17 LYS CD C 13 29.016 0.05 . 1 . . . . . . . . 5677 1 105 . 1 1 17 17 LYS HD3 H 1 1.794 0.02 . 1 . . . . . . . . 5677 1 106 . 1 1 17 17 LYS HD2 H 1 1.794 0.02 . 1 . . . . . . . . 5677 1 107 . 1 1 17 17 LYS CE C 13 42.221 0.05 . 1 . . . . . . . . 5677 1 108 . 1 1 17 17 LYS HE3 H 1 3.119 0.02 . 1 . . . . . . . . 5677 1 109 . 1 1 17 17 LYS HE2 H 1 3.119 0.02 . 1 . . . . . . . . 5677 1 110 . 1 1 17 17 LYS C C 13 178.655 0.05 . 1 . . . . . . . . 5677 1 111 . 1 1 18 18 VAL N N 15 119.206 0.05 . 1 . . . . . . . . 5677 1 112 . 1 1 18 18 VAL H H 1 8.030 0.02 . 1 . . . . . . . . 5677 1 113 . 1 1 18 18 VAL CA C 13 66.681 0.05 . 1 . . . . . . . . 5677 1 114 . 1 1 18 18 VAL HA H 1 3.741 0.02 . 1 . . . . . . . . 5677 1 115 . 1 1 18 18 VAL CB C 13 31.231 0.05 . 1 . . . . . . . . 5677 1 116 . 1 1 18 18 VAL HB H 1 2.291 0.02 . 1 . . . . . . . . 5677 1 117 . 1 1 18 18 VAL CG2 C 13 22.518 0.05 . 1 . . . . . . . . 5677 1 118 . 1 1 18 18 VAL HG21 H 1 1.062 0.02 . 2 . . . . . . . . 5677 1 119 . 1 1 18 18 VAL HG22 H 1 1.062 0.02 . 2 . . . . . . . . 5677 1 120 . 1 1 18 18 VAL HG23 H 1 1.062 0.02 . 2 . . . . . . . . 5677 1 121 . 1 1 18 18 VAL CG1 C 13 21.204 0.05 . 1 . . . . . . . . 5677 1 122 . 1 1 18 18 VAL HG11 H 1 0.857 0.02 . 2 . . . . . . . . 5677 1 123 . 1 1 18 18 VAL HG12 H 1 0.857 0.02 . 2 . . . . . . . . 5677 1 124 . 1 1 18 18 VAL HG13 H 1 0.857 0.02 . 2 . . . . . . . . 5677 1 125 . 1 1 19 19 TYR N N 15 119.961 0.05 . 1 . . . . . . . . 5677 1 126 . 1 1 19 19 TYR H H 1 7.905 0.02 . 1 . . . . . . . . 5677 1 127 . 1 1 19 19 TYR CA C 13 61.987 0.05 . 1 . . . . . . . . 5677 1 128 . 1 1 19 19 TYR HA H 1 4.115 0.02 . 1 . . . . . . . . 5677 1 129 . 1 1 19 19 TYR CB C 13 38.271 0.05 . 1 . . . . . . . . 5677 1 130 . 1 1 19 19 TYR HB3 H 1 3.184 0.02 . 1 . . . . . . . . 5677 1 131 . 1 1 19 19 TYR HB2 H 1 3.184 0.02 . 1 . . . . . . . . 5677 1 132 . 1 1 19 19 TYR CD1 C 13 132.395 0.05 . 1 . . . . . . . . 5677 1 133 . 1 1 19 19 TYR HD1 H 1 7.193 0.02 . 1 . . . . . . . . 5677 1 134 . 1 1 19 19 TYR CE1 C 13 118.199 0.05 . 1 . . . . . . . . 5677 1 135 . 1 1 19 19 TYR HE1 H 1 6.930 0.02 . 1 . . . . . . . . 5677 1 136 . 1 1 19 19 TYR CE2 C 13 118.199 0.05 . 1 . . . . . . . . 5677 1 137 . 1 1 19 19 TYR HE2 H 1 6.930 0.02 . 1 . . . . . . . . 5677 1 138 . 1 1 19 19 TYR CD2 C 13 132.395 0.05 . 1 . . . . . . . . 5677 1 139 . 1 1 19 19 TYR HD2 H 1 7.193 0.02 . 1 . . . . . . . . 5677 1 140 . 1 1 19 19 TYR C C 13 178.709 0.05 . 1 . . . . . . . . 5677 1 141 . 1 1 20 20 GLU N N 15 121.034 0.05 . 1 . . . . . . . . 5677 1 142 . 1 1 20 20 GLU H H 1 8.593 0.02 . 1 . . . . . . . . 5677 1 143 . 1 1 20 20 GLU CA C 13 59.740 0.05 . 1 . . . . . . . . 5677 1 144 . 1 1 20 20 GLU HA H 1 4.028 0.02 . 1 . . . . . . . . 5677 1 145 . 1 1 20 20 GLU CB C 13 29.633 0.05 . 1 . . . . . . . . 5677 1 146 . 1 1 20 20 GLU HB3 H 1 2.424 0.02 . 1 . . . . . . . . 5677 1 147 . 1 1 20 20 GLU HB2 H 1 2.424 0.02 . 1 . . . . . . . . 5677 1 148 . 1 1 20 20 GLU CG C 13 36.275 0.05 . 1 . . . . . . . . 5677 1 149 . 1 1 20 20 GLU HG3 H 1 2.426 0.02 . 2 . . . . . . . . 5677 1 150 . 1 1 20 20 GLU HG2 H 1 2.574 0.02 . 2 . . . . . . . . 5677 1 151 . 1 1 20 20 GLU C C 13 179.280 0.05 . 1 . . . . . . . . 5677 1 152 . 1 1 21 21 ASN N N 15 118.370 0.05 . 1 . . . . . . . . 5677 1 153 . 1 1 21 21 ASN H H 1 8.468 0.02 . 1 . . . . . . . . 5677 1 154 . 1 1 21 21 ASN CA C 13 55.796 0.05 . 1 . . . . . . . . 5677 1 155 . 1 1 21 21 ASN HA H 1 4.755 0.02 . 1 . . . . . . . . 5677 1 156 . 1 1 21 21 ASN CB C 13 39.119 0.05 . 1 . . . . . . . . 5677 1 157 . 1 1 21 21 ASN HB3 H 1 3.084 0.02 . 2 . . . . . . . . 5677 1 158 . 1 1 21 21 ASN HB2 H 1 2.828 0.02 . 2 . . . . . . . . 5677 1 159 . 1 1 21 21 ASN ND2 N 15 110.082 0.05 . 1 . . . . . . . . 5677 1 160 . 1 1 21 21 ASN HD21 H 1 7.051 0.02 . 2 . . . . . . . . 5677 1 161 . 1 1 21 21 ASN HD22 H 1 7.436 0.02 . 2 . . . . . . . . 5677 1 162 . 1 1 22 22 VAL N N 15 122.466 0.05 . 1 . . . . . . . . 5677 1 163 . 1 1 22 22 VAL H H 1 8.823 0.02 . 1 . . . . . . . . 5677 1 164 . 1 1 22 22 VAL CA C 13 67.721 0.05 . 1 . . . . . . . . 5677 1 165 . 1 1 22 22 VAL HA H 1 3.705 0.02 . 1 . . . . . . . . 5677 1 166 . 1 1 22 22 VAL CB C 13 31.589 0.05 . 1 . . . . . . . . 5677 1 167 . 1 1 22 22 VAL HB H 1 2.264 0.02 . 1 . . . . . . . . 5677 1 168 . 1 1 22 22 VAL CG2 C 13 24.315 0.05 . 1 . . . . . . . . 5677 1 169 . 1 1 22 22 VAL HG21 H 1 1.127 0.02 . 2 . . . . . . . . 5677 1 170 . 1 1 22 22 VAL HG22 H 1 1.127 0.02 . 2 . . . . . . . . 5677 1 171 . 1 1 22 22 VAL HG23 H 1 1.127 0.02 . 2 . . . . . . . . 5677 1 172 . 1 1 22 22 VAL CG1 C 13 21.343 0.05 . 1 . . . . . . . . 5677 1 173 . 1 1 22 22 VAL HG11 H 1 0.924 0.02 . 2 . . . . . . . . 5677 1 174 . 1 1 22 22 VAL HG12 H 1 0.924 0.02 . 2 . . . . . . . . 5677 1 175 . 1 1 22 22 VAL HG13 H 1 0.924 0.02 . 2 . . . . . . . . 5677 1 176 . 1 1 22 22 VAL C C 13 177.250 0.05 . 1 . . . . . . . . 5677 1 177 . 1 1 23 23 THR N N 15 115.054 0.05 . 1 . . . . . . . . 5677 1 178 . 1 1 23 23 THR H H 1 8.352 0.02 . 1 . . . . . . . . 5677 1 179 . 1 1 23 23 THR CA C 13 67.180 0.05 . 1 . . . . . . . . 5677 1 180 . 1 1 23 23 THR HA H 1 3.840 0.02 . 1 . . . . . . . . 5677 1 181 . 1 1 23 23 THR CB C 13 68.472 0.05 . 1 . . . . . . . . 5677 1 182 . 1 1 23 23 THR HB H 1 4.250 0.02 . 1 . . . . . . . . 5677 1 183 . 1 1 23 23 THR CG2 C 13 21.688 0.05 . 1 . . . . . . . . 5677 1 184 . 1 1 23 23 THR HG21 H 1 1.204 0.02 . 1 . . . . . . . . 5677 1 185 . 1 1 23 23 THR HG22 H 1 1.204 0.02 . 1 . . . . . . . . 5677 1 186 . 1 1 23 23 THR HG23 H 1 1.204 0.02 . 1 . . . . . . . . 5677 1 187 . 1 1 23 23 THR C C 13 177.177 0.05 . 1 . . . . . . . . 5677 1 188 . 1 1 24 24 GLY N N 15 108.385 0.05 . 1 . . . . . . . . 5677 1 189 . 1 1 24 24 GLY H H 1 8.256 0.02 . 1 . . . . . . . . 5677 1 190 . 1 1 24 24 GLY CA C 13 47.308 0.05 . 1 . . . . . . . . 5677 1 191 . 1 1 24 24 GLY HA3 H 1 3.972 0.02 . 2 . . . . . . . . 5677 1 192 . 1 1 24 24 GLY HA2 H 1 4.149 0.02 . 2 . . . . . . . . 5677 1 193 . 1 1 24 24 GLY C C 13 176.522 0.05 . 1 . . . . . . . . 5677 1 194 . 1 1 25 25 LEU N N 15 123.753 0.05 . 1 . . . . . . . . 5677 1 195 . 1 1 25 25 LEU H H 1 7.867 0.02 . 1 . . . . . . . . 5677 1 196 . 1 1 25 25 LEU CA C 13 57.893 0.05 . 1 . . . . . . . . 5677 1 197 . 1 1 25 25 LEU HA H 1 4.319 0.02 . 1 . . . . . . . . 5677 1 198 . 1 1 25 25 LEU CB C 13 42.515 0.05 . 1 . . . . . . . . 5677 1 199 . 1 1 25 25 LEU HB3 H 1 1.852 0.02 . 1 . . . . . . . . 5677 1 200 . 1 1 25 25 LEU HB2 H 1 1.852 0.02 . 1 . . . . . . . . 5677 1 201 . 1 1 25 25 LEU CG C 13 25.995 0.05 . 1 . . . . . . . . 5677 1 202 . 1 1 25 25 LEU HG H 1 1.767 0.02 . 1 . . . . . . . . 5677 1 203 . 1 1 25 25 LEU HD11 H 1 1.029 0.02 . 1 . . . . . . . . 5677 1 204 . 1 1 25 25 LEU HD12 H 1 1.029 0.02 . 1 . . . . . . . . 5677 1 205 . 1 1 25 25 LEU HD13 H 1 1.029 0.02 . 1 . . . . . . . . 5677 1 206 . 1 1 25 25 LEU HD21 H 1 1.029 0.02 . 1 . . . . . . . . 5677 1 207 . 1 1 25 25 LEU HD22 H 1 1.029 0.02 . 1 . . . . . . . . 5677 1 208 . 1 1 25 25 LEU HD23 H 1 1.029 0.02 . 1 . . . . . . . . 5677 1 209 . 1 1 25 25 LEU C C 13 178.486 0.05 . 1 . . . . . . . . 5677 1 210 . 1 1 26 26 VAL N N 15 120.403 0.05 . 1 . . . . . . . . 5677 1 211 . 1 1 26 26 VAL H H 1 8.652 0.02 . 1 . . . . . . . . 5677 1 212 . 1 1 26 26 VAL CA C 13 67.779 0.05 . 1 . . . . . . . . 5677 1 213 . 1 1 26 26 VAL HA H 1 3.561 0.02 . 1 . . . . . . . . 5677 1 214 . 1 1 26 26 VAL CB C 13 31.430 0.05 . 1 . . . . . . . . 5677 1 215 . 1 1 26 26 VAL HB H 1 2.329 0.02 . 1 . . . . . . . . 5677 1 216 . 1 1 26 26 VAL CG2 C 13 23.901 0.05 . 1 . . . . . . . . 5677 1 217 . 1 1 26 26 VAL HG21 H 1 1.113 0.02 . 2 . . . . . . . . 5677 1 218 . 1 1 26 26 VAL HG22 H 1 1.113 0.02 . 2 . . . . . . . . 5677 1 219 . 1 1 26 26 VAL HG23 H 1 1.113 0.02 . 2 . . . . . . . . 5677 1 220 . 1 1 26 26 VAL CG1 C 13 22.241 0.05 . 1 . . . . . . . . 5677 1 221 . 1 1 26 26 VAL HG11 H 1 1.065 0.02 . 2 . . . . . . . . 5677 1 222 . 1 1 26 26 VAL HG12 H 1 1.065 0.02 . 2 . . . . . . . . 5677 1 223 . 1 1 26 26 VAL HG13 H 1 1.065 0.02 . 2 . . . . . . . . 5677 1 224 . 1 1 26 26 VAL C C 13 177.907 0.05 . 1 . . . . . . . . 5677 1 225 . 1 1 27 27 LYS N N 15 118.820 0.05 . 1 . . . . . . . . 5677 1 226 . 1 1 27 27 LYS H H 1 8.435 0.02 . 1 . . . . . . . . 5677 1 227 . 1 1 27 27 LYS CA C 13 60.290 0.05 . 1 . . . . . . . . 5677 1 228 . 1 1 27 27 LYS HA H 1 4.040 0.02 . 1 . . . . . . . . 5677 1 229 . 1 1 27 27 LYS CB C 13 32.279 0.05 . 1 . . . . . . . . 5677 1 230 . 1 1 27 27 LYS HB3 H 1 2.056 0.02 . 1 . . . . . . . . 5677 1 231 . 1 1 27 27 LYS HB2 H 1 2.056 0.02 . 1 . . . . . . . . 5677 1 232 . 1 1 27 27 LYS CG C 13 25.735 0.05 . 1 . . . . . . . . 5677 1 233 . 1 1 27 27 LYS HG3 H 1 1.532 0.02 . 1 . . . . . . . . 5677 1 234 . 1 1 27 27 LYS HG2 H 1 1.532 0.02 . 1 . . . . . . . . 5677 1 235 . 1 1 27 27 LYS CD C 13 29.787 0.05 . 1 . . . . . . . . 5677 1 236 . 1 1 27 27 LYS HD3 H 1 1.768 0.02 . 1 . . . . . . . . 5677 1 237 . 1 1 27 27 LYS HD2 H 1 1.768 0.02 . 1 . . . . . . . . 5677 1 238 . 1 1 27 27 LYS CE C 13 42.221 0.05 . 1 . . . . . . . . 5677 1 239 . 1 1 27 27 LYS HE3 H 1 3.063 0.02 . 1 . . . . . . . . 5677 1 240 . 1 1 27 27 LYS HE2 H 1 3.063 0.02 . 1 . . . . . . . . 5677 1 241 . 1 1 27 27 LYS C C 13 178.738 0.05 . 1 . . . . . . . . 5677 1 242 . 1 1 28 28 ALA N N 15 121.141 0.05 . 1 . . . . . . . . 5677 1 243 . 1 1 28 28 ALA H H 1 7.883 0.02 . 1 . . . . . . . . 5677 1 244 . 1 1 28 28 ALA CA C 13 55.397 0.05 . 1 . . . . . . . . 5677 1 245 . 1 1 28 28 ALA HA H 1 4.388 0.02 . 1 . . . . . . . . 5677 1 246 . 1 1 28 28 ALA CB C 13 17.690 0.05 . 1 . . . . . . . . 5677 1 247 . 1 1 28 28 ALA HB1 H 1 1.679 0.02 . 1 . . . . . . . . 5677 1 248 . 1 1 28 28 ALA HB2 H 1 1.679 0.02 . 1 . . . . . . . . 5677 1 249 . 1 1 28 28 ALA HB3 H 1 1.679 0.02 . 1 . . . . . . . . 5677 1 250 . 1 1 28 28 ALA C C 13 180.595 0.05 . 1 . . . . . . . . 5677 1 251 . 1 1 29 29 VAL N N 15 119.288 0.05 . 1 . . . . . . . . 5677 1 252 . 1 1 29 29 VAL H H 1 8.282 0.02 . 1 . . . . . . . . 5677 1 253 . 1 1 29 29 VAL CA C 13 67.315 0.05 . 1 . . . . . . . . 5677 1 254 . 1 1 29 29 VAL HA H 1 3.687 0.02 . 1 . . . . . . . . 5677 1 255 . 1 1 29 29 VAL CB C 13 31.643 0.05 . 1 . . . . . . . . 5677 1 256 . 1 1 29 29 VAL HB H 1 2.395 0.02 . 1 . . . . . . . . 5677 1 257 . 1 1 29 29 VAL CG2 C 13 23.970 0.05 . 1 . . . . . . . . 5677 1 258 . 1 1 29 29 VAL HG21 H 1 1.194 0.02 . 2 . . . . . . . . 5677 1 259 . 1 1 29 29 VAL HG22 H 1 1.194 0.02 . 2 . . . . . . . . 5677 1 260 . 1 1 29 29 VAL HG23 H 1 1.194 0.02 . 2 . . . . . . . . 5677 1 261 . 1 1 29 29 VAL CG1 C 13 22.034 0.05 . 1 . . . . . . . . 5677 1 262 . 1 1 29 29 VAL HG11 H 1 1.018 0.02 . 2 . . . . . . . . 5677 1 263 . 1 1 29 29 VAL HG12 H 1 1.018 0.02 . 2 . . . . . . . . 5677 1 264 . 1 1 29 29 VAL HG13 H 1 1.018 0.02 . 2 . . . . . . . . 5677 1 265 . 1 1 29 29 VAL C C 13 178.782 0.05 . 1 . . . . . . . . 5677 1 266 . 1 1 30 30 ILE N N 15 123.912 0.05 . 1 . . . . . . . . 5677 1 267 . 1 1 30 30 ILE H H 1 8.794 0.02 . 1 . . . . . . . . 5677 1 268 . 1 1 30 30 ILE CA C 13 66.021 0.05 . 1 . . . . . . . . 5677 1 269 . 1 1 30 30 ILE HA H 1 3.716 0.02 . 1 . . . . . . . . 5677 1 270 . 1 1 30 30 ILE CB C 13 37.950 0.05 . 1 . . . . . . . . 5677 1 271 . 1 1 30 30 ILE HB H 1 2.091 0.02 . 1 . . . . . . . . 5677 1 272 . 1 1 30 30 ILE CG1 C 13 29.639 0.05 . 2 . . . . . . . . 5677 1 273 . 1 1 30 30 ILE HG13 H 1 1.284 0.02 . 1 . . . . . . . . 5677 1 274 . 1 1 30 30 ILE HG12 H 1 1.284 0.02 . 1 . . . . . . . . 5677 1 275 . 1 1 30 30 ILE CD1 C 13 13.807 0.05 . 1 . . . . . . . . 5677 1 276 . 1 1 30 30 ILE HD11 H 1 0.916 0.02 . 1 . . . . . . . . 5677 1 277 . 1 1 30 30 ILE HD12 H 1 0.916 0.02 . 1 . . . . . . . . 5677 1 278 . 1 1 30 30 ILE HD13 H 1 0.916 0.02 . 1 . . . . . . . . 5677 1 279 . 1 1 30 30 ILE CG2 C 13 17.195 0.05 . 1 . . . . . . . . 5677 1 280 . 1 1 30 30 ILE HG21 H 1 1.027 0.02 . 1 . . . . . . . . 5677 1 281 . 1 1 30 30 ILE HG22 H 1 1.027 0.02 . 1 . . . . . . . . 5677 1 282 . 1 1 30 30 ILE HG23 H 1 1.027 0.02 . 1 . . . . . . . . 5677 1 283 . 1 1 30 30 ILE C C 13 179.275 0.05 . 1 . . . . . . . . 5677 1 284 . 1 1 31 31 GLU N N 15 121.746 0.05 . 1 . . . . . . . . 5677 1 285 . 1 1 31 31 GLU H H 1 8.731 0.02 . 1 . . . . . . . . 5677 1 286 . 1 1 31 31 GLU CA C 13 59.927 0.05 . 1 . . . . . . . . 5677 1 287 . 1 1 31 31 GLU CB C 13 29.313 0.05 . 1 . . . . . . . . 5677 1 288 . 1 1 32 32 MET CA C 13 59.209 0.05 . 1 . . . . . . . . 5677 1 289 . 1 1 32 32 MET HA H 1 4.280 0.02 . 1 . . . . . . . . 5677 1 290 . 1 1 32 32 MET CB C 13 32.770 0.05 . 1 . . . . . . . . 5677 1 291 . 1 1 32 32 MET HB3 H 1 2.778 0.02 . 1 . . . . . . . . 5677 1 292 . 1 1 32 32 MET HB2 H 1 2.778 0.02 . 1 . . . . . . . . 5677 1 293 . 1 1 32 32 MET HG3 H 1 2.588 0.02 . 1 . . . . . . . . 5677 1 294 . 1 1 32 32 MET HG2 H 1 2.588 0.02 . 1 . . . . . . . . 5677 1 295 . 1 1 32 32 MET C C 13 178.701 0.05 . 1 . . . . . . . . 5677 1 296 . 1 1 33 33 SER N N 15 114.089 0.05 . 1 . . . . . . . . 5677 1 297 . 1 1 33 33 SER H H 1 8.548 0.02 . 1 . . . . . . . . 5677 1 298 . 1 1 33 33 SER CA C 13 62.669 0.05 . 1 . . . . . . . . 5677 1 299 . 1 1 33 33 SER HA H 1 4.182 0.02 . 1 . . . . . . . . 5677 1 300 . 1 1 33 33 SER CB C 13 62.976 0.05 . 1 . . . . . . . . 5677 1 301 . 1 1 33 33 SER HB3 H 1 4.047 0.02 . 1 . . . . . . . . 5677 1 302 . 1 1 33 33 SER HB2 H 1 4.047 0.02 . 1 . . . . . . . . 5677 1 303 . 1 1 33 33 SER C C 13 176.213 0.05 . 1 . . . . . . . . 5677 1 304 . 1 1 34 34 SER N N 15 116.161 0.05 . 1 . . . . . . . . 5677 1 305 . 1 1 34 34 SER H H 1 7.985 0.02 . 1 . . . . . . . . 5677 1 306 . 1 1 34 34 SER CA C 13 60.839 0.05 . 1 . . . . . . . . 5677 1 307 . 1 1 34 34 SER HA H 1 4.527 0.02 . 1 . . . . . . . . 5677 1 308 . 1 1 34 34 SER CB C 13 63.574 0.05 . 1 . . . . . . . . 5677 1 309 . 1 1 34 34 SER HB3 H 1 4.177 0.02 . 1 . . . . . . . . 5677 1 310 . 1 1 34 34 SER HB2 H 1 4.177 0.02 . 1 . . . . . . . . 5677 1 311 . 1 1 34 34 SER C C 13 175.545 0.05 . 1 . . . . . . . . 5677 1 312 . 1 1 35 35 LYS N N 15 120.123 0.05 . 1 . . . . . . . . 5677 1 313 . 1 1 35 35 LYS H H 1 7.708 0.02 . 1 . . . . . . . . 5677 1 314 . 1 1 35 35 LYS CA C 13 57.288 0.05 . 1 . . . . . . . . 5677 1 315 . 1 1 35 35 LYS HA H 1 4.440 0.02 . 1 . . . . . . . . 5677 1 316 . 1 1 35 35 LYS CB C 13 33.920 0.05 . 1 . . . . . . . . 5677 1 317 . 1 1 35 35 LYS HB3 H 1 2.060 0.02 . 1 . . . . . . . . 5677 1 318 . 1 1 35 35 LYS HB2 H 1 2.060 0.02 . 1 . . . . . . . . 5677 1 319 . 1 1 35 35 LYS CG C 13 25.610 0.05 . 1 . . . . . . . . 5677 1 320 . 1 1 35 35 LYS HG3 H 1 1.635 0.02 . 1 . . . . . . . . 5677 1 321 . 1 1 35 35 LYS HG2 H 1 1.635 0.02 . 1 . . . . . . . . 5677 1 322 . 1 1 35 35 LYS CD C 13 29.669 0.05 . 1 . . . . . . . . 5677 1 323 . 1 1 35 35 LYS HD3 H 1 1.807 0.02 . 1 . . . . . . . . 5677 1 324 . 1 1 35 35 LYS HD2 H 1 1.807 0.02 . 1 . . . . . . . . 5677 1 325 . 1 1 35 35 LYS CE C 13 42.359 0.05 . 1 . . . . . . . . 5677 1 326 . 1 1 35 35 LYS HE3 H 1 3.097 0.02 . 1 . . . . . . . . 5677 1 327 . 1 1 35 35 LYS HE2 H 1 3.097 0.02 . 1 . . . . . . . . 5677 1 328 . 1 1 35 35 LYS C C 13 177.900 0.05 . 1 . . . . . . . . 5677 1 329 . 1 1 36 36 ILE N N 15 117.951 0.05 . 1 . . . . . . . . 5677 1 330 . 1 1 36 36 ILE H H 1 7.607 0.02 . 1 . . . . . . . . 5677 1 331 . 1 1 36 36 ILE CA C 13 64.342 0.05 . 1 . . . . . . . . 5677 1 332 . 1 1 36 36 ILE CB C 13 38.238 0.05 . 1 . . . . . . . . 5677 1 333 . 1 1 39 39 ALA N N 15 124.069 0.05 . 1 . . . . . . . . 5677 1 334 . 1 1 39 39 ALA H H 1 7.407 0.02 . 1 . . . . . . . . 5677 1 335 . 1 1 41 41 PRO CA C 13 64.374 0.05 . 1 . . . . . . . . 5677 1 336 . 1 1 41 41 PRO HA H 1 3.993 0.02 . 1 . . . . . . . . 5677 1 337 . 1 1 41 41 PRO CB C 13 31.725 0.05 . 1 . . . . . . . . 5677 1 338 . 1 1 41 41 PRO HB3 H 1 2.092 0.02 . 1 . . . . . . . . 5677 1 339 . 1 1 41 41 PRO HB2 H 1 2.092 0.02 . 1 . . . . . . . . 5677 1 340 . 1 1 41 41 PRO CG C 13 27.703 0.05 . 1 . . . . . . . . 5677 1 341 . 1 1 41 41 PRO CD C 13 50.586 0.05 . 1 . . . . . . . . 5677 1 342 . 1 1 41 41 PRO C C 13 177.971 0.05 . 1 . . . . . . . . 5677 1 343 . 1 1 42 42 GLU N N 15 116.400 0.05 . 1 . . . . . . . . 5677 1 344 . 1 1 42 42 GLU H H 1 9.345 0.02 . 1 . . . . . . . . 5677 1 345 . 1 1 42 42 GLU CA C 13 59.593 0.05 . 1 . . . . . . . . 5677 1 346 . 1 1 42 42 GLU HA H 1 4.139 0.02 . 1 . . . . . . . . 5677 1 347 . 1 1 42 42 GLU CB C 13 28.583 0.05 . 1 . . . . . . . . 5677 1 348 . 1 1 42 42 GLU HB3 H 1 2.145 0.02 . 1 . . . . . . . . 5677 1 349 . 1 1 42 42 GLU HB2 H 1 2.145 0.02 . 1 . . . . . . . . 5677 1 350 . 1 1 42 42 GLU CG C 13 36.828 0.05 . 1 . . . . . . . . 5677 1 351 . 1 1 42 42 GLU HG3 H 1 2.439 0.02 . 1 . . . . . . . . 5677 1 352 . 1 1 42 42 GLU HG2 H 1 2.439 0.02 . 1 . . . . . . . . 5677 1 353 . 1 1 43 43 GLU N N 15 116.774 0.05 . 1 . . . . . . . . 5677 1 354 . 1 1 43 43 GLU H H 1 8.079 0.02 . 1 . . . . . . . . 5677 1 355 . 1 1 43 43 GLU CA C 13 56.795 0.05 . 1 . . . . . . . . 5677 1 356 . 1 1 43 43 GLU HA H 1 4.566 0.02 . 1 . . . . . . . . 5677 1 357 . 1 1 43 43 GLU CB C 13 30.831 0.05 . 1 . . . . . . . . 5677 1 358 . 1 1 43 43 GLU HB3 H 1 2.396 0.02 . 1 . . . . . . . . 5677 1 359 . 1 1 43 43 GLU HB2 H 1 2.396 0.02 . 1 . . . . . . . . 5677 1 360 . 1 1 43 43 GLU CG C 13 36.621 0.05 . 1 . . . . . . . . 5677 1 361 . 1 1 43 43 GLU C C 13 177.680 0.05 . 1 . . . . . . . . 5677 1 362 . 1 1 44 44 TYR N N 15 117.283 0.05 . 1 . . . . . . . . 5677 1 363 . 1 1 44 44 TYR H H 1 7.962 0.02 . 1 . . . . . . . . 5677 1 364 . 1 1 44 44 TYR CA C 13 59.091 0.05 . 1 . . . . . . . . 5677 1 365 . 1 1 44 44 TYR HA H 1 4.735 0.02 . 1 . . . . . . . . 5677 1 366 . 1 1 44 44 TYR CB C 13 37.771 0.05 . 1 . . . . . . . . 5677 1 367 . 1 1 44 44 TYR HB3 H 1 3.340 0.02 . 2 . . . . . . . . 5677 1 368 . 1 1 44 44 TYR HB2 H 1 3.063 0.02 . 2 . . . . . . . . 5677 1 369 . 1 1 44 44 TYR CD1 C 13 132.035 0.05 . 1 . . . . . . . . 5677 1 370 . 1 1 44 44 TYR HD1 H 1 7.011 0.02 . 1 . . . . . . . . 5677 1 371 . 1 1 44 44 TYR CE1 C 13 117.774 0.05 . 1 . . . . . . . . 5677 1 372 . 1 1 44 44 TYR HE1 H 1 6.886 0.02 . 1 . . . . . . . . 5677 1 373 . 1 1 44 44 TYR CE2 C 13 117.774 0.05 . 1 . . . . . . . . 5677 1 374 . 1 1 44 44 TYR HE2 H 1 6.886 0.02 . 1 . . . . . . . . 5677 1 375 . 1 1 44 44 TYR CD2 C 13 132.035 0.05 . 1 . . . . . . . . 5677 1 376 . 1 1 44 44 TYR HD2 H 1 7.011 0.02 . 1 . . . . . . . . 5677 1 377 . 1 1 44 44 TYR C C 13 176.515 0.05 . 1 . . . . . . . . 5677 1 378 . 1 1 45 45 VAL N N 15 120.797 0.05 . 1 . . . . . . . . 5677 1 379 . 1 1 45 45 VAL H H 1 8.445 0.02 . 1 . . . . . . . . 5677 1 380 . 1 1 45 45 VAL CA C 13 68.661 0.05 . 1 . . . . . . . . 5677 1 381 . 1 1 46 46 PRO CA C 13 65.830 0.05 . 1 . . . . . . . . 5677 1 382 . 1 1 46 46 PRO HA H 1 4.411 0.02 . 1 . . . . . . . . 5677 1 383 . 1 1 46 46 PRO CB C 13 30.859 0.05 . 1 . . . . . . . . 5677 1 384 . 1 1 46 46 PRO HB3 H 1 2.080 0.02 . 2 . . . . . . . . 5677 1 385 . 1 1 46 46 PRO HB2 H 1 2.467 0.02 . 2 . . . . . . . . 5677 1 386 . 1 1 46 46 PRO CG C 13 28.071 0.05 . 1 . . . . . . . . 5677 1 387 . 1 1 46 46 PRO C C 13 179.531 0.05 . 1 . . . . . . . . 5677 1 388 . 1 1 47 47 MET N N 15 115.741 0.05 . 1 . . . . . . . . 5677 1 389 . 1 1 47 47 MET H H 1 7.401 0.02 . 1 . . . . . . . . 5677 1 390 . 1 1 47 47 MET CA C 13 59.543 0.05 . 1 . . . . . . . . 5677 1 391 . 1 1 47 47 MET HA H 1 4.399 0.02 . 1 . . . . . . . . 5677 1 392 . 1 1 47 47 MET CB C 13 33.223 0.05 . 1 . . . . . . . . 5677 1 393 . 1 1 47 47 MET HB3 H 1 3.075 0.02 . 2 . . . . . . . . 5677 1 394 . 1 1 47 47 MET HB2 H 1 33.750 0.02 . 2 . . . . . . . . 5677 1 395 . 1 1 47 47 MET CG C 13 32.996 0.05 . 1 . . . . . . . . 5677 1 396 . 1 1 47 47 MET HG3 H 1 2.741 0.02 . 1 . . . . . . . . 5677 1 397 . 1 1 47 47 MET HG2 H 1 2.741 0.02 . 1 . . . . . . . . 5677 1 398 . 1 1 47 47 MET C C 13 179.004 0.05 . 1 . . . . . . . . 5677 1 399 . 1 1 48 48 VAL N N 15 121.055 0.05 . 1 . . . . . . . . 5677 1 400 . 1 1 48 48 VAL H H 1 8.513 0.02 . 1 . . . . . . . . 5677 1 401 . 1 1 48 48 VAL CA C 13 66.714 0.05 . 1 . . . . . . . . 5677 1 402 . 1 1 48 48 VAL HA H 1 3.716 0.02 . 1 . . . . . . . . 5677 1 403 . 1 1 48 48 VAL CB C 13 31.514 0.05 . 1 . . . . . . . . 5677 1 404 . 1 1 48 48 VAL HB H 1 2.434 0.02 . 1 . . . . . . . . 5677 1 405 . 1 1 48 48 VAL CG2 C 13 24.241 0.05 . 1 . . . . . . . . 5677 1 406 . 1 1 48 48 VAL HG21 H 1 1.188 0.02 . 2 . . . . . . . . 5677 1 407 . 1 1 48 48 VAL HG22 H 1 1.188 0.02 . 2 . . . . . . . . 5677 1 408 . 1 1 48 48 VAL HG23 H 1 1.188 0.02 . 2 . . . . . . . . 5677 1 409 . 1 1 48 48 VAL CG1 C 13 21.915 0.05 . 1 . . . . . . . . 5677 1 410 . 1 1 48 48 VAL HG11 H 1 1.052 0.02 . 2 . . . . . . . . 5677 1 411 . 1 1 48 48 VAL HG12 H 1 1.052 0.02 . 2 . . . . . . . . 5677 1 412 . 1 1 48 48 VAL HG13 H 1 1.052 0.02 . 2 . . . . . . . . 5677 1 413 . 1 1 48 48 VAL C C 13 178.617 0.05 . 1 . . . . . . . . 5677 1 414 . 1 1 49 49 LYS N N 15 121.559 0.05 . 1 . . . . . . . . 5677 1 415 . 1 1 49 49 LYS H H 1 8.286 0.02 . 1 . . . . . . . . 5677 1 416 . 1 1 49 49 LYS CA C 13 59.992 0.05 . 1 . . . . . . . . 5677 1 417 . 1 1 49 49 LYS HA H 1 4.174 0.02 . 1 . . . . . . . . 5677 1 418 . 1 1 49 49 LYS CB C 13 31.972 0.05 . 1 . . . . . . . . 5677 1 419 . 1 1 49 49 LYS HB3 H 1 2.087 0.02 . 1 . . . . . . . . 5677 1 420 . 1 1 49 49 LYS HB2 H 1 2.087 0.02 . 1 . . . . . . . . 5677 1 421 . 1 1 49 49 LYS CG C 13 25.540 0.05 . 1 . . . . . . . . 5677 1 422 . 1 1 49 49 LYS HG3 H 1 1.437 0.02 . 1 . . . . . . . . 5677 1 423 . 1 1 49 49 LYS HG2 H 1 1.437 0.02 . 1 . . . . . . . . 5677 1 424 . 1 1 49 49 LYS CD C 13 29.850 0.05 . 1 . . . . . . . . 5677 1 425 . 1 1 49 49 LYS HD3 H 1 1.769 0.02 . 1 . . . . . . . . 5677 1 426 . 1 1 49 49 LYS HD2 H 1 1.769 0.02 . 1 . . . . . . . . 5677 1 427 . 1 1 49 49 LYS CE C 13 42.160 0.05 . 1 . . . . . . . . 5677 1 428 . 1 1 49 49 LYS HE3 H 1 3.042 0.02 . 1 . . . . . . . . 5677 1 429 . 1 1 49 49 LYS HE2 H 1 3.042 0.02 . 1 . . . . . . . . 5677 1 430 . 1 1 49 49 LYS C C 13 179.710 0.05 . 1 . . . . . . . . 5677 1 431 . 1 1 50 50 GLU N N 15 119.190 0.05 . 1 . . . . . . . . 5677 1 432 . 1 1 50 50 GLU H H 1 7.966 0.02 . 1 . . . . . . . . 5677 1 433 . 1 1 50 50 GLU CA C 13 59.694 0.05 . 1 . . . . . . . . 5677 1 434 . 1 1 50 50 GLU HA H 1 4.230 0.02 . 1 . . . . . . . . 5677 1 435 . 1 1 50 50 GLU CB C 13 29.395 0.05 . 1 . . . . . . . . 5677 1 436 . 1 1 50 50 GLU HB3 H 1 2.357 0.02 . 1 . . . . . . . . 5677 1 437 . 1 1 50 50 GLU HB2 H 1 2.357 0.02 . 1 . . . . . . . . 5677 1 438 . 1 1 50 50 GLU CG C 13 35.869 0.05 . 1 . . . . . . . . 5677 1 439 . 1 1 50 50 GLU HG3 H 1 2.563 0.02 . 1 . . . . . . . . 5677 1 440 . 1 1 50 50 GLU HG2 H 1 2.563 0.02 . 1 . . . . . . . . 5677 1 441 . 1 1 50 50 GLU C C 13 179.898 0.05 . 1 . . . . . . . . 5677 1 442 . 1 1 51 51 VAL N N 15 121.516 0.05 . 1 . . . . . . . . 5677 1 443 . 1 1 51 51 VAL H H 1 8.091 0.02 . 1 . . . . . . . . 5677 1 444 . 1 1 51 51 VAL CA C 13 66.865 0.05 . 1 . . . . . . . . 5677 1 445 . 1 1 51 51 VAL HA H 1 3.727 0.02 . 1 . . . . . . . . 5677 1 446 . 1 1 51 51 VAL CB C 13 31.567 0.05 . 1 . . . . . . . . 5677 1 447 . 1 1 51 51 VAL HB H 1 2.411 0.02 . 1 . . . . . . . . 5677 1 448 . 1 1 51 51 VAL CG2 C 13 24.036 0.05 . 1 . . . . . . . . 5677 1 449 . 1 1 51 51 VAL HG21 H 1 1.159 0.02 . 2 . . . . . . . . 5677 1 450 . 1 1 51 51 VAL HG22 H 1 1.159 0.02 . 2 . . . . . . . . 5677 1 451 . 1 1 51 51 VAL HG23 H 1 1.159 0.02 . 2 . . . . . . . . 5677 1 452 . 1 1 51 51 VAL CG1 C 13 22.189 0.05 . 1 . . . . . . . . 5677 1 453 . 1 1 51 51 VAL HG11 H 1 0.977 0.02 . 2 . . . . . . . . 5677 1 454 . 1 1 51 51 VAL HG12 H 1 0.977 0.02 . 2 . . . . . . . . 5677 1 455 . 1 1 51 51 VAL HG13 H 1 0.977 0.02 . 2 . . . . . . . . 5677 1 456 . 1 1 51 51 VAL C C 13 177.605 0.05 . 1 . . . . . . . . 5677 1 457 . 1 1 52 52 GLY N N 15 106.755 0.05 . 1 . . . . . . . . 5677 1 458 . 1 1 52 52 GLY H H 1 8.601 0.02 . 1 . . . . . . . . 5677 1 459 . 1 1 52 52 GLY CA C 13 47.845 0.05 . 1 . . . . . . . . 5677 1 460 . 1 1 52 52 GLY HA3 H 1 3.898 0.02 . 1 . . . . . . . . 5677 1 461 . 1 1 52 52 GLY HA2 H 1 3.898 0.02 . 1 . . . . . . . . 5677 1 462 . 1 1 52 52 GLY C C 13 176.290 0.05 . 1 . . . . . . . . 5677 1 463 . 1 1 53 53 LEU N N 15 123.374 0.05 . 1 . . . . . . . . 5677 1 464 . 1 1 53 53 LEU H H 1 8.227 0.02 . 1 . . . . . . . . 5677 1 465 . 1 1 53 53 LEU CA C 13 58.243 0.05 . 1 . . . . . . . . 5677 1 466 . 1 1 53 53 LEU HA H 1 4.252 0.02 . 1 . . . . . . . . 5677 1 467 . 1 1 53 53 LEU CB C 13 41.766 0.05 . 1 . . . . . . . . 5677 1 468 . 1 1 53 53 LEU HB3 H 1 1.905 0.02 . 1 . . . . . . . . 5677 1 469 . 1 1 53 53 LEU HB2 H 1 1.905 0.02 . 1 . . . . . . . . 5677 1 470 . 1 1 53 53 LEU CG C 13 27.012 0.05 . 1 . . . . . . . . 5677 1 471 . 1 1 53 53 LEU HG H 1 1.862 0.02 . 1 . . . . . . . . 5677 1 472 . 1 1 53 53 LEU CD1 C 13 24.799 0.05 . 1 . . . . . . . . 5677 1 473 . 1 1 53 53 LEU HD11 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 474 . 1 1 53 53 LEU HD12 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 475 . 1 1 53 53 LEU HD13 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 476 . 1 1 53 53 LEU CD2 C 13 23.970 0.05 . 1 . . . . . . . . 5677 1 477 . 1 1 53 53 LEU HD21 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 478 . 1 1 53 53 LEU HD22 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 479 . 1 1 53 53 LEU HD23 H 1 1.026 0.02 . 1 . . . . . . . . 5677 1 480 . 1 1 53 53 LEU C C 13 179.732 0.05 . 1 . . . . . . . . 5677 1 481 . 1 1 54 54 ALA N N 15 123.367 0.05 . 1 . . . . . . . . 5677 1 482 . 1 1 54 54 ALA H H 1 8.175 0.02 . 1 . . . . . . . . 5677 1 483 . 1 1 54 54 ALA CA C 13 55.097 0.05 . 1 . . . . . . . . 5677 1 484 . 1 1 54 54 ALA HA H 1 4.278 0.02 . 1 . . . . . . . . 5677 1 485 . 1 1 54 54 ALA CB C 13 17.655 0.05 . 1 . . . . . . . . 5677 1 486 . 1 1 54 54 ALA HB1 H 1 1.627 0.02 . 1 . . . . . . . . 5677 1 487 . 1 1 54 54 ALA HB2 H 1 1.627 0.02 . 1 . . . . . . . . 5677 1 488 . 1 1 54 54 ALA HB3 H 1 1.627 0.02 . 1 . . . . . . . . 5677 1 489 . 1 1 54 54 ALA C C 13 181.020 0.05 . 1 . . . . . . . . 5677 1 490 . 1 1 55 55 LEU N N 15 120.689 0.05 . 1 . . . . . . . . 5677 1 491 . 1 1 55 55 LEU H H 1 8.910 0.02 . 1 . . . . . . . . 5677 1 492 . 1 1 55 55 LEU CA C 13 58.043 0.05 . 1 . . . . . . . . 5677 1 493 . 1 1 55 55 LEU HA H 1 4.232 0.02 . 1 . . . . . . . . 5677 1 494 . 1 1 55 55 LEU CB C 13 41.416 0.05 . 1 . . . . . . . . 5677 1 495 . 1 1 55 55 LEU HB3 H 1 2.201 0.02 . 2 . . . . . . . . 5677 1 496 . 1 1 55 55 LEU HB2 H 1 1.774 0.02 . 2 . . . . . . . . 5677 1 497 . 1 1 55 55 LEU CG C 13 26.942 0.05 . 1 . . . . . . . . 5677 1 498 . 1 1 55 55 LEU HG H 1 1.808 0.02 . 1 . . . . . . . . 5677 1 499 . 1 1 55 55 LEU CD1 C 13 25.905 0.05 . 1 . . . . . . . . 5677 1 500 . 1 1 55 55 LEU HD11 H 1 1.135 0.02 . 1 . . . . . . . . 5677 1 501 . 1 1 55 55 LEU HD12 H 1 1.135 0.02 . 1 . . . . . . . . 5677 1 502 . 1 1 55 55 LEU HD13 H 1 1.135 0.02 . 1 . . . . . . . . 5677 1 503 . 1 1 55 55 LEU CD2 C 13 25.905 0.05 . 1 . . . . . . . . 5677 1 504 . 1 1 55 55 LEU HD21 H 1 1.135 0.02 . 1 . . . . . . . . 5677 1 505 . 1 1 55 55 LEU HD22 H 1 1.135 0.02 . 1 . . . . . . . . 5677 1 506 . 1 1 55 55 LEU HD23 H 1 1.135 0.02 . 1 . . . . . . . . 5677 1 507 . 1 1 55 55 LEU C C 13 178.084 0.05 . 1 . . . . . . . . 5677 1 508 . 1 1 56 56 ARG N N 15 120.339 0.05 . 1 . . . . . . . . 5677 1 509 . 1 1 56 56 ARG H H 1 8.599 0.02 . 1 . . . . . . . . 5677 1 510 . 1 1 56 56 ARG CA C 13 60.340 0.05 . 1 . . . . . . . . 5677 1 511 . 1 1 56 56 ARG HA H 1 4.079 0.02 . 1 . . . . . . . . 5677 1 512 . 1 1 56 56 ARG CB C 13 29.733 0.05 . 1 . . . . . . . . 5677 1 513 . 1 1 56 56 ARG HB3 H 1 2.150 0.02 . 1 . . . . . . . . 5677 1 514 . 1 1 56 56 ARG HB2 H 1 2.150 0.02 . 1 . . . . . . . . 5677 1 515 . 1 1 56 56 ARG CG C 13 27.703 0.05 . 1 . . . . . . . . 5677 1 516 . 1 1 56 56 ARG HG3 H 1 1.789 0.02 . 1 . . . . . . . . 5677 1 517 . 1 1 56 56 ARG HG2 H 1 1.789 0.02 . 1 . . . . . . . . 5677 1 518 . 1 1 56 56 ARG CD C 13 43.603 0.05 . 1 . . . . . . . . 5677 1 519 . 1 1 56 56 ARG HD3 H 1 3.336 0.02 . 1 . . . . . . . . 5677 1 520 . 1 1 56 56 ARG HD2 H 1 3.336 0.02 . 1 . . . . . . . . 5677 1 521 . 1 1 56 56 ARG C C 13 179.808 0.05 . 1 . . . . . . . . 5677 1 522 . 1 1 57 57 THR N N 15 116.996 0.05 . 1 . . . . . . . . 5677 1 523 . 1 1 57 57 THR H H 1 8.262 0.02 . 1 . . . . . . . . 5677 1 524 . 1 1 57 57 THR CA C 13 66.693 0.05 . 1 . . . . . . . . 5677 1 525 . 1 1 57 57 THR HA H 1 4.179 0.02 . 1 . . . . . . . . 5677 1 526 . 1 1 57 57 THR CB C 13 68.698 0.05 . 1 . . . . . . . . 5677 1 527 . 1 1 57 57 THR HB H 1 4.419 0.02 . 1 . . . . . . . . 5677 1 528 . 1 1 57 57 THR CG2 C 13 21.757 0.05 . 1 . . . . . . . . 5677 1 529 . 1 1 57 57 THR HG21 H 1 1.352 0.02 . 1 . . . . . . . . 5677 1 530 . 1 1 57 57 THR HG22 H 1 1.352 0.02 . 1 . . . . . . . . 5677 1 531 . 1 1 57 57 THR HG23 H 1 1.352 0.02 . 1 . . . . . . . . 5677 1 532 . 1 1 58 58 LEU N N 15 123.722 0.05 . 1 . . . . . . . . 5677 1 533 . 1 1 58 58 LEU H H 1 8.109 0.02 . 1 . . . . . . . . 5677 1 534 . 1 1 58 58 LEU CA C 13 58.500 0.05 . 1 . . . . . . . . 5677 1 535 . 1 1 58 58 LEU HA H 1 4.275 0.02 . 1 . . . . . . . . 5677 1 536 . 1 1 58 58 LEU CB C 13 41.219 0.05 . 1 . . . . . . . . 5677 1 537 . 1 1 58 58 LEU HB3 H 1 2.487 0.02 . 2 . . . . . . . . 5677 1 538 . 1 1 58 58 LEU HB2 H 1 1.593 0.02 . 2 . . . . . . . . 5677 1 539 . 1 1 58 58 LEU CG C 13 26.942 0.05 . 1 . . . . . . . . 5677 1 540 . 1 1 58 58 LEU HG H 1 1.003 0.02 . 1 . . . . . . . . 5677 1 541 . 1 1 58 58 LEU CD1 C 13 24.730 0.05 . 1 . . . . . . . . 5677 1 542 . 1 1 58 58 LEU CD2 C 13 24.730 0.05 . 1 . . . . . . . . 5677 1 543 . 1 1 58 58 LEU C C 13 177.891 0.05 . 1 . . . . . . . . 5677 1 544 . 1 1 59 59 LEU N N 15 118.339 0.05 . 1 . . . . . . . . 5677 1 545 . 1 1 59 59 LEU H H 1 8.973 0.02 . 1 . . . . . . . . 5677 1 546 . 1 1 59 59 LEU CA C 13 58.642 0.05 . 1 . . . . . . . . 5677 1 547 . 1 1 59 59 LEU HA H 1 3.956 0.02 . 1 . . . . . . . . 5677 1 548 . 1 1 59 59 LEU CB C 13 40.218 0.05 . 1 . . . . . . . . 5677 1 549 . 1 1 59 59 LEU HB3 H 1 2.041 0.02 . 2 . . . . . . . . 5677 1 550 . 1 1 59 59 LEU HB2 H 1 1.724 0.02 . 2 . . . . . . . . 5677 1 551 . 1 1 59 59 LEU CG C 13 25.905 0.05 . 1 . . . . . . . . 5677 1 552 . 1 1 59 59 LEU HG H 1 1.850 0.02 . 1 . . . . . . . . 5677 1 553 . 1 1 59 59 LEU CD1 C 13 22.587 0.05 . 1 . . . . . . . . 5677 1 554 . 1 1 59 59 LEU HD11 H 1 1.018 0.02 . 1 . . . . . . . . 5677 1 555 . 1 1 59 59 LEU HD12 H 1 1.018 0.02 . 1 . . . . . . . . 5677 1 556 . 1 1 59 59 LEU HD13 H 1 1.018 0.02 . 1 . . . . . . . . 5677 1 557 . 1 1 59 59 LEU CD2 C 13 22.587 0.05 . 1 . . . . . . . . 5677 1 558 . 1 1 59 59 LEU HD21 H 1 1.018 0.02 . 1 . . . . . . . . 5677 1 559 . 1 1 59 59 LEU HD22 H 1 1.018 0.02 . 1 . . . . . . . . 5677 1 560 . 1 1 59 59 LEU HD23 H 1 1.018 0.02 . 1 . . . . . . . . 5677 1 561 . 1 1 59 59 LEU C C 13 178.617 0.05 . 1 . . . . . . . . 5677 1 562 . 1 1 60 60 ALA N N 15 121.058 0.05 . 1 . . . . . . . . 5677 1 563 . 1 1 60 60 ALA H H 1 7.994 0.02 . 1 . . . . . . . . 5677 1 564 . 1 1 60 60 ALA CA C 13 55.222 0.05 . 1 . . . . . . . . 5677 1 565 . 1 1 60 60 ALA HA H 1 4.382 0.02 . 1 . . . . . . . . 5677 1 566 . 1 1 60 60 ALA CB C 13 17.996 0.05 . 1 . . . . . . . . 5677 1 567 . 1 1 60 60 ALA HB1 H 1 1.676 0.02 . 1 . . . . . . . . 5677 1 568 . 1 1 60 60 ALA HB2 H 1 1.676 0.02 . 1 . . . . . . . . 5677 1 569 . 1 1 60 60 ALA HB3 H 1 1.676 0.02 . 1 . . . . . . . . 5677 1 570 . 1 1 60 60 ALA C C 13 180.552 0.05 . 1 . . . . . . . . 5677 1 571 . 1 1 61 61 THR N N 15 116.668 0.05 . 1 . . . . . . . . 5677 1 572 . 1 1 61 61 THR H H 1 8.155 0.02 . 1 . . . . . . . . 5677 1 573 . 1 1 61 61 THR CA C 13 66.481 0.05 . 1 . . . . . . . . 5677 1 574 . 1 1 61 61 THR HA H 1 4.130 0.02 . 1 . . . . . . . . 5677 1 575 . 1 1 61 61 THR CB C 13 68.677 0.05 . 1 . . . . . . . . 5677 1 576 . 1 1 61 61 THR HB H 1 4.512 0.02 . 1 . . . . . . . . 5677 1 577 . 1 1 61 61 THR CG2 C 13 22.449 0.05 . 1 . . . . . . . . 5677 1 578 . 1 1 61 61 THR HG21 H 1 1.240 0.02 . 1 . . . . . . . . 5677 1 579 . 1 1 61 61 THR HG22 H 1 1.240 0.02 . 1 . . . . . . . . 5677 1 580 . 1 1 61 61 THR HG23 H 1 1.240 0.02 . 1 . . . . . . . . 5677 1 581 . 1 1 61 61 THR C C 13 177.556 0.05 . 1 . . . . . . . . 5677 1 582 . 1 1 62 62 VAL N N 15 124.165 0.05 . 1 . . . . . . . . 5677 1 583 . 1 1 62 62 VAL H H 1 8.562 0.02 . 1 . . . . . . . . 5677 1 584 . 1 1 62 62 VAL CA C 13 67.584 0.05 . 1 . . . . . . . . 5677 1 585 . 1 1 62 62 VAL HA H 1 3.502 0.02 . 1 . . . . . . . . 5677 1 586 . 1 1 62 62 VAL CB C 13 31.231 0.05 . 1 . . . . . . . . 5677 1 587 . 1 1 62 62 VAL HB H 1 2.345 0.02 . 1 . . . . . . . . 5677 1 588 . 1 1 62 62 VAL CG2 C 13 24.039 0.05 . 1 . . . . . . . . 5677 1 589 . 1 1 62 62 VAL HG21 H 1 1.087 0.02 . 2 . . . . . . . . 5677 1 590 . 1 1 62 62 VAL HG22 H 1 1.087 0.02 . 2 . . . . . . . . 5677 1 591 . 1 1 62 62 VAL HG23 H 1 1.087 0.02 . 2 . . . . . . . . 5677 1 592 . 1 1 62 62 VAL CG1 C 13 22.518 0.05 . 1 . . . . . . . . 5677 1 593 . 1 1 62 62 VAL HG11 H 1 0.931 0.02 . 2 . . . . . . . . 5677 1 594 . 1 1 62 62 VAL HG12 H 1 0.931 0.02 . 2 . . . . . . . . 5677 1 595 . 1 1 62 62 VAL HG13 H 1 0.931 0.02 . 2 . . . . . . . . 5677 1 596 . 1 1 62 62 VAL C C 13 177.678 0.05 . 1 . . . . . . . . 5677 1 597 . 1 1 63 63 ASP N N 15 120.669 0.05 . 1 . . . . . . . . 5677 1 598 . 1 1 63 63 ASP H H 1 8.356 0.02 . 1 . . . . . . . . 5677 1 599 . 1 1 63 63 ASP CA C 13 57.943 0.05 . 1 . . . . . . . . 5677 1 600 . 1 1 63 63 ASP HA H 1 4.514 0.02 . 1 . . . . . . . . 5677 1 601 . 1 1 63 63 ASP CB C 13 40.268 0.05 . 1 . . . . . . . . 5677 1 602 . 1 1 63 63 ASP HB3 H 1 3.010 0.02 . 2 . . . . . . . . 5677 1 603 . 1 1 63 63 ASP HB2 H 1 2.769 0.02 . 2 . . . . . . . . 5677 1 604 . 1 1 63 63 ASP C C 13 179.198 0.05 . 1 . . . . . . . . 5677 1 605 . 1 1 64 64 GLU N N 15 117.069 0.05 . 1 . . . . . . . . 5677 1 606 . 1 1 64 64 GLU H H 1 7.850 0.02 . 1 . . . . . . . . 5677 1 607 . 1 1 64 64 GLU CA C 13 58.293 0.05 . 1 . . . . . . . . 5677 1 608 . 1 1 64 64 GLU HA H 1 4.251 0.02 . 1 . . . . . . . . 5677 1 609 . 1 1 64 64 GLU CB C 13 29.932 0.05 . 1 . . . . . . . . 5677 1 610 . 1 1 64 64 GLU HB3 H 1 2.295 0.02 . 1 . . . . . . . . 5677 1 611 . 1 1 64 64 GLU HB2 H 1 2.295 0.02 . 1 . . . . . . . . 5677 1 612 . 1 1 64 64 GLU CG C 13 36.344 0.05 . 1 . . . . . . . . 5677 1 613 . 1 1 64 64 GLU HG3 H 1 2.543 0.02 . 1 . . . . . . . . 5677 1 614 . 1 1 64 64 GLU HG2 H 1 2.543 0.02 . 1 . . . . . . . . 5677 1 615 . 1 1 64 64 GLU C C 13 177.844 0.05 . 1 . . . . . . . . 5677 1 616 . 1 1 65 65 SER N N 15 113.775 0.05 . 1 . . . . . . . . 5677 1 617 . 1 1 65 65 SER H H 1 7.859 0.02 . 1 . . . . . . . . 5677 1 618 . 1 1 65 65 SER CA C 13 59.940 0.05 . 1 . . . . . . . . 5677 1 619 . 1 1 65 65 SER HA H 1 4.589 0.02 . 1 . . . . . . . . 5677 1 620 . 1 1 65 65 SER CB C 13 64.184 0.05 . 1 . . . . . . . . 5677 1 621 . 1 1 65 65 SER HB3 H 1 3.966 0.02 . 2 . . . . . . . . 5677 1 622 . 1 1 65 65 SER HB2 H 1 4.055 0.02 . 2 . . . . . . . . 5677 1 623 . 1 1 65 65 SER C C 13 174.228 0.05 . 1 . . . . . . . . 5677 1 624 . 1 1 66 66 LEU N N 15 122.623 0.05 . 1 . . . . . . . . 5677 1 625 . 1 1 66 66 LEU H H 1 7.614 0.02 . 1 . . . . . . . . 5677 1 626 . 1 1 66 66 LEU CA C 13 59.341 0.05 . 1 . . . . . . . . 5677 1 627 . 1 1 66 66 LEU CB C 13 40.318 0.05 . 1 . . . . . . . . 5677 1 628 . 1 1 67 67 PRO CA C 13 65.604 0.05 . 1 . . . . . . . . 5677 1 629 . 1 1 67 67 PRO HA H 1 4.585 0.02 . 1 . . . . . . . . 5677 1 630 . 1 1 67 67 PRO CB C 13 31.999 0.05 . 1 . . . . . . . . 5677 1 631 . 1 1 67 67 PRO HB3 H 1 1.916 0.02 . 2 . . . . . . . . 5677 1 632 . 1 1 67 67 PRO HB2 H 1 2.549 0.02 . 2 . . . . . . . . 5677 1 633 . 1 1 67 67 PRO CG C 13 28.256 0.05 . 1 . . . . . . . . 5677 1 634 . 1 1 67 67 PRO HG3 H 1 2.094 0.02 . 1 . . . . . . . . 5677 1 635 . 1 1 67 67 PRO HG2 H 1 2.094 0.02 . 1 . . . . . . . . 5677 1 636 . 1 1 67 67 PRO CD C 13 50.793 0.05 . 1 . . . . . . . . 5677 1 637 . 1 1 67 67 PRO C C 13 177.923 0.05 . 1 . . . . . . . . 5677 1 638 . 1 1 68 68 VAL N N 15 110.516 0.05 . 1 . . . . . . . . 5677 1 639 . 1 1 68 68 VAL H H 1 7.627 0.02 . 1 . . . . . . . . 5677 1 640 . 1 1 68 68 VAL CA C 13 61.638 0.05 . 1 . . . . . . . . 5677 1 641 . 1 1 68 68 VAL HA H 1 4.462 0.02 . 1 . . . . . . . . 5677 1 642 . 1 1 68 68 VAL CB C 13 31.980 0.05 . 1 . . . . . . . . 5677 1 643 . 1 1 68 68 VAL HB H 1 2.524 0.02 . 1 . . . . . . . . 5677 1 644 . 1 1 68 68 VAL CG2 C 13 21.556 0.05 . 1 . . . . . . . . 5677 1 645 . 1 1 68 68 VAL HG21 H 1 1.117 0.02 . 2 . . . . . . . . 5677 1 646 . 1 1 68 68 VAL HG22 H 1 1.117 0.02 . 2 . . . . . . . . 5677 1 647 . 1 1 68 68 VAL HG23 H 1 1.117 0.02 . 2 . . . . . . . . 5677 1 648 . 1 1 68 68 VAL CG1 C 13 20.159 0.05 . 1 . . . . . . . . 5677 1 649 . 1 1 68 68 VAL C C 13 176.008 0.05 . 1 . . . . . . . . 5677 1 650 . 1 1 69 69 LEU N N 15 123.054 0.05 . 1 . . . . . . . . 5677 1 651 . 1 1 69 69 LEU H H 1 7.898 0.02 . 1 . . . . . . . . 5677 1 652 . 1 1 69 69 LEU CA C 13 52.700 0.05 . 1 . . . . . . . . 5677 1 653 . 1 1 69 69 LEU CB C 13 41.616 0.05 . 1 . . . . . . . . 5677 1 654 . 1 1 71 71 ALA N N 15 110.919 0.05 . 1 . . . . . . . . 5677 1 655 . 1 1 71 71 ALA H H 1 8.624 0.02 . 1 . . . . . . . . 5677 1 656 . 1 1 72 72 SER CA C 13 60.679 0.05 . 1 . . . . . . . . 5677 1 657 . 1 1 72 72 SER HA H 1 4.349 0.02 . 1 . . . . . . . . 5677 1 658 . 1 1 72 72 SER CB C 13 62.407 0.05 . 1 . . . . . . . . 5677 1 659 . 1 1 72 72 SER HB3 H 1 4.189 0.02 . 1 . . . . . . . . 5677 1 660 . 1 1 72 72 SER HB2 H 1 4.189 0.02 . 1 . . . . . . . . 5677 1 661 . 1 1 72 72 SER C C 13 176.047 0.05 . 1 . . . . . . . . 5677 1 662 . 1 1 73 73 THR N N 15 113.403 0.05 . 1 . . . . . . . . 5677 1 663 . 1 1 73 73 THR H H 1 8.057 0.02 . 1 . . . . . . . . 5677 1 664 . 1 1 73 73 THR CA C 13 63.168 0.05 . 1 . . . . . . . . 5677 1 665 . 1 1 73 73 THR HA H 1 4.710 0.02 . 1 . . . . . . . . 5677 1 666 . 1 1 73 73 THR CB C 13 70.635 0.05 . 1 . . . . . . . . 5677 1 667 . 1 1 73 73 THR HB H 1 4.451 0.02 . 1 . . . . . . . . 5677 1 668 . 1 1 73 73 THR CG2 C 13 23.140 0.05 . 1 . . . . . . . . 5677 1 669 . 1 1 73 73 THR HG21 H 1 1.399 0.02 . 1 . . . . . . . . 5677 1 670 . 1 1 73 73 THR HG22 H 1 1.399 0.02 . 1 . . . . . . . . 5677 1 671 . 1 1 73 73 THR HG23 H 1 1.399 0.02 . 1 . . . . . . . . 5677 1 672 . 1 1 74 74 HIS N N 15 120.125 0.05 . 1 . . . . . . . . 5677 1 673 . 1 1 74 74 HIS H H 1 7.891 0.02 . 1 . . . . . . . . 5677 1 674 . 1 1 74 74 HIS CA C 13 59.227 0.05 . 1 . . . . . . . . 5677 1 675 . 1 1 74 74 HIS HA H 1 4.313 0.02 . 1 . . . . . . . . 5677 1 676 . 1 1 74 74 HIS CB C 13 29.569 0.05 . 1 . . . . . . . . 5677 1 677 . 1 1 74 74 HIS HB3 H 1 3.400 0.02 . 1 . . . . . . . . 5677 1 678 . 1 1 74 74 HIS HB2 H 1 3.400 0.02 . 1 . . . . . . . . 5677 1 679 . 1 1 74 74 HIS CD2 C 13 116.951 0.05 . 1 . . . . . . . . 5677 1 680 . 1 1 74 74 HIS HD2 H 1 6.987 0.02 . 3 . . . . . . . . 5677 1 681 . 1 1 74 74 HIS C C 13 177.063 0.05 . 1 . . . . . . . . 5677 1 682 . 1 1 75 75 ARG N N 15 119.557 0.05 . 1 . . . . . . . . 5677 1 683 . 1 1 75 75 ARG H H 1 8.778 0.02 . 1 . . . . . . . . 5677 1 684 . 1 1 75 75 ARG CA C 13 59.740 0.05 . 1 . . . . . . . . 5677 1 685 . 1 1 75 75 ARG HA H 1 4.322 0.02 . 1 . . . . . . . . 5677 1 686 . 1 1 75 75 ARG CB C 13 29.383 0.05 . 1 . . . . . . . . 5677 1 687 . 1 1 75 75 ARG HB3 H 1 2.058 0.02 . 1 . . . . . . . . 5677 1 688 . 1 1 75 75 ARG HB2 H 1 2.058 0.02 . 1 . . . . . . . . 5677 1 689 . 1 1 75 75 ARG CG C 13 27.081 0.05 . 1 . . . . . . . . 5677 1 690 . 1 1 75 75 ARG HG3 H 1 1.819 0.02 . 1 . . . . . . . . 5677 1 691 . 1 1 75 75 ARG HG2 H 1 1.819 0.02 . 1 . . . . . . . . 5677 1 692 . 1 1 75 75 ARG CD C 13 43.396 0.05 . 1 . . . . . . . . 5677 1 693 . 1 1 75 75 ARG HD3 H 1 3.379 0.02 . 1 . . . . . . . . 5677 1 694 . 1 1 75 75 ARG HD2 H 1 3.379 0.02 . 1 . . . . . . . . 5677 1 695 . 1 1 75 75 ARG C C 13 178.760 0.05 . 1 . . . . . . . . 5677 1 696 . 1 1 76 76 GLU N N 15 119.070 0.05 . 1 . . . . . . . . 5677 1 697 . 1 1 76 76 GLU H H 1 8.284 0.02 . 1 . . . . . . . . 5677 1 698 . 1 1 76 76 GLU CA C 13 59.740 0.05 . 1 . . . . . . . . 5677 1 699 . 1 1 76 76 GLU HA H 1 4.207 0.02 . 1 . . . . . . . . 5677 1 700 . 1 1 76 76 GLU CB C 13 29.633 0.05 . 1 . . . . . . . . 5677 1 701 . 1 1 76 76 GLU HB3 H 1 2.204 0.02 . 1 . . . . . . . . 5677 1 702 . 1 1 76 76 GLU HB2 H 1 2.204 0.02 . 1 . . . . . . . . 5677 1 703 . 1 1 76 76 GLU CG C 13 36.967 0.05 . 1 . . . . . . . . 5677 1 704 . 1 1 76 76 GLU HG3 H 1 2.498 0.02 . 1 . . . . . . . . 5677 1 705 . 1 1 76 76 GLU HG2 H 1 2.498 0.02 . 1 . . . . . . . . 5677 1 706 . 1 1 76 76 GLU C C 13 179.921 0.05 . 1 . . . . . . . . 5677 1 707 . 1 1 77 77 ILE N N 15 121.178 0.05 . 1 . . . . . . . . 5677 1 708 . 1 1 77 77 ILE H H 1 7.949 0.02 . 1 . . . . . . . . 5677 1 709 . 1 1 77 77 ILE CA C 13 65.732 0.05 . 1 . . . . . . . . 5677 1 710 . 1 1 77 77 ILE HA H 1 3.685 0.02 . 1 . . . . . . . . 5677 1 711 . 1 1 77 77 ILE CB C 13 37.821 0.05 . 1 . . . . . . . . 5677 1 712 . 1 1 77 77 ILE HB H 1 2.005 0.02 . 1 . . . . . . . . 5677 1 713 . 1 1 77 77 ILE CG1 C 13 30.122 0.05 . 2 . . . . . . . . 5677 1 714 . 1 1 77 77 ILE HG13 H 1 0.971 0.02 . 1 . . . . . . . . 5677 1 715 . 1 1 77 77 ILE HG12 H 1 0.971 0.02 . 1 . . . . . . . . 5677 1 716 . 1 1 77 77 ILE CD1 C 13 14.429 0.05 . 1 . . . . . . . . 5677 1 717 . 1 1 77 77 ILE HD11 H 1 0.854 0.02 . 1 . . . . . . . . 5677 1 718 . 1 1 77 77 ILE HD12 H 1 0.854 0.02 . 1 . . . . . . . . 5677 1 719 . 1 1 77 77 ILE HD13 H 1 0.854 0.02 . 1 . . . . . . . . 5677 1 720 . 1 1 77 77 ILE CG2 C 13 18.024 0.05 . 1 . . . . . . . . 5677 1 721 . 1 1 77 77 ILE HG21 H 1 0.854 0.02 . 1 . . . . . . . . 5677 1 722 . 1 1 77 77 ILE HG22 H 1 0.854 0.02 . 1 . . . . . . . . 5677 1 723 . 1 1 77 77 ILE HG23 H 1 0.854 0.02 . 1 . . . . . . . . 5677 1 724 . 1 1 77 77 ILE C C 13 177.438 0.05 . 1 . . . . . . . . 5677 1 725 . 1 1 78 78 GLU N N 15 120.979 0.05 . 1 . . . . . . . . 5677 1 726 . 1 1 78 78 GLU H H 1 8.777 0.02 . 1 . . . . . . . . 5677 1 727 . 1 1 78 78 GLU CA C 13 59.641 0.05 . 1 . . . . . . . . 5677 1 728 . 1 1 78 78 GLU HA H 1 4.386 0.02 . 1 . . . . . . . . 5677 1 729 . 1 1 78 78 GLU CB C 13 29.471 0.05 . 1 . . . . . . . . 5677 1 730 . 1 1 78 78 GLU HB3 H 1 2.369 0.02 . 1 . . . . . . . . 5677 1 731 . 1 1 78 78 GLU HB2 H 1 2.369 0.02 . 1 . . . . . . . . 5677 1 732 . 1 1 78 78 GLU CG C 13 36.344 0.05 . 1 . . . . . . . . 5677 1 733 . 1 1 78 78 GLU HG3 H 1 2.527 0.02 . 1 . . . . . . . . 5677 1 734 . 1 1 78 78 GLU HG2 H 1 2.527 0.02 . 1 . . . . . . . . 5677 1 735 . 1 1 78 78 GLU C C 13 180.382 0.05 . 1 . . . . . . . . 5677 1 736 . 1 1 79 79 MET N N 15 118.328 0.05 . 1 . . . . . . . . 5677 1 737 . 1 1 79 79 MET H H 1 8.371 0.02 . 1 . . . . . . . . 5677 1 738 . 1 1 79 79 MET CA C 13 58.592 0.05 . 1 . . . . . . . . 5677 1 739 . 1 1 79 79 MET HA H 1 4.340 0.02 . 1 . . . . . . . . 5677 1 740 . 1 1 79 79 MET CB C 13 32.279 0.05 . 1 . . . . . . . . 5677 1 741 . 1 1 79 79 MET HB3 H 1 2.311 0.02 . 1 . . . . . . . . 5677 1 742 . 1 1 79 79 MET HB2 H 1 2.311 0.02 . 1 . . . . . . . . 5677 1 743 . 1 1 79 79 MET CG C 13 32.279 0.05 . 1 . . . . . . . . 5677 1 744 . 1 1 79 79 MET C C 13 178.572 0.05 . 1 . . . . . . . . 5677 1 745 . 1 1 80 80 ALA N N 15 123.100 0.05 . 1 . . . . . . . . 5677 1 746 . 1 1 80 80 ALA H H 1 7.931 0.02 . 1 . . . . . . . . 5677 1 747 . 1 1 80 80 ALA CA C 13 55.147 0.05 . 1 . . . . . . . . 5677 1 748 . 1 1 80 80 ALA HA H 1 4.323 0.02 . 1 . . . . . . . . 5677 1 749 . 1 1 80 80 ALA CB C 13 18.748 0.05 . 1 . . . . . . . . 5677 1 750 . 1 1 80 80 ALA HB1 H 1 1.720 0.02 . 1 . . . . . . . . 5677 1 751 . 1 1 80 80 ALA HB2 H 1 1.720 0.02 . 1 . . . . . . . . 5677 1 752 . 1 1 80 80 ALA HB3 H 1 1.720 0.02 . 1 . . . . . . . . 5677 1 753 . 1 1 80 80 ALA C C 13 180.627 0.05 . 1 . . . . . . . . 5677 1 754 . 1 1 81 81 GLN N N 15 118.010 0.05 . 1 . . . . . . . . 5677 1 755 . 1 1 81 81 GLN H H 1 8.696 0.02 . 1 . . . . . . . . 5677 1 756 . 1 1 81 81 GLN CA C 13 60.208 0.05 . 1 . . . . . . . . 5677 1 757 . 1 1 81 81 GLN HA H 1 4.128 0.02 . 1 . . . . . . . . 5677 1 758 . 1 1 81 81 GLN CB C 13 29.965 0.05 . 1 . . . . . . . . 5677 1 759 . 1 1 81 81 GLN HB3 H 1 2.035 0.02 . 1 . . . . . . . . 5677 1 760 . 1 1 81 81 GLN HB2 H 1 2.035 0.02 . 1 . . . . . . . . 5677 1 761 . 1 1 81 81 GLN CG C 13 35.771 0.05 . 1 . . . . . . . . 5677 1 762 . 1 1 81 81 GLN HG3 H 1 2.791 0.02 . 1 . . . . . . . . 5677 1 763 . 1 1 81 81 GLN HG2 H 1 2.791 0.02 . 1 . . . . . . . . 5677 1 764 . 1 1 81 81 GLN NE2 N 15 108.851 0.05 . 1 . . . . . . . . 5677 1 765 . 1 1 81 81 GLN HE21 H 1 5.954 0.02 . 2 . . . . . . . . 5677 1 766 . 1 1 81 81 GLN HE22 H 1 7.482 0.02 . 2 . . . . . . . . 5677 1 767 . 1 1 82 82 LYS N N 15 119.787 0.05 . 1 . . . . . . . . 5677 1 768 . 1 1 82 82 LYS H H 1 8.156 0.02 . 1 . . . . . . . . 5677 1 769 . 1 1 82 82 LYS CA C 13 59.890 0.05 . 1 . . . . . . . . 5677 1 770 . 1 1 82 82 LYS HA H 1 4.196 0.02 . 1 . . . . . . . . 5677 1 771 . 1 1 82 82 LYS CB C 13 32.429 0.05 . 1 . . . . . . . . 5677 1 772 . 1 1 82 82 LYS HB3 H 1 2.131 0.02 . 1 . . . . . . . . 5677 1 773 . 1 1 82 82 LYS HB2 H 1 2.131 0.02 . 1 . . . . . . . . 5677 1 774 . 1 1 82 82 LYS CG C 13 25.620 0.05 . 1 . . . . . . . . 5677 1 775 . 1 1 82 82 LYS HG3 H 1 1.607 0.02 . 1 . . . . . . . . 5677 1 776 . 1 1 82 82 LYS HG2 H 1 1.607 0.02 . 1 . . . . . . . . 5677 1 777 . 1 1 82 82 LYS CD C 13 29.802 0.05 . 1 . . . . . . . . 5677 1 778 . 1 1 82 82 LYS HD3 H 1 1.826 0.02 . 1 . . . . . . . . 5677 1 779 . 1 1 82 82 LYS HD2 H 1 1.826 0.02 . 1 . . . . . . . . 5677 1 780 . 1 1 82 82 LYS CE C 13 42.359 0.05 . 1 . . . . . . . . 5677 1 781 . 1 1 82 82 LYS HE3 H 1 3.117 0.02 . 1 . . . . . . . . 5677 1 782 . 1 1 82 82 LYS HE2 H 1 3.117 0.02 . 1 . . . . . . . . 5677 1 783 . 1 1 82 82 LYS C C 13 179.920 0.05 . 1 . . . . . . . . 5677 1 784 . 1 1 83 83 LEU N N 15 121.263 0.05 . 1 . . . . . . . . 5677 1 785 . 1 1 83 83 LEU H H 1 8.049 0.02 . 1 . . . . . . . . 5677 1 786 . 1 1 83 83 LEU CA C 13 57.943 0.05 . 1 . . . . . . . . 5677 1 787 . 1 1 83 83 LEU HA H 1 4.239 0.02 . 1 . . . . . . . . 5677 1 788 . 1 1 83 83 LEU CB C 13 41.716 0.05 . 1 . . . . . . . . 5677 1 789 . 1 1 83 83 LEU HB3 H 1 1.839 0.02 . 1 . . . . . . . . 5677 1 790 . 1 1 83 83 LEU HB2 H 1 1.839 0.02 . 1 . . . . . . . . 5677 1 791 . 1 1 83 83 LEU CG C 13 27.008 0.05 . 1 . . . . . . . . 5677 1 792 . 1 1 83 83 LEU HG H 1 1.839 0.02 . 1 . . . . . . . . 5677 1 793 . 1 1 83 83 LEU CD1 C 13 24.484 0.05 . 1 . . . . . . . . 5677 1 794 . 1 1 83 83 LEU HD11 H 1 1.024 0.02 . 1 . . . . . . . . 5677 1 795 . 1 1 83 83 LEU HD12 H 1 1.024 0.02 . 1 . . . . . . . . 5677 1 796 . 1 1 83 83 LEU HD13 H 1 1.024 0.02 . 1 . . . . . . . . 5677 1 797 . 1 1 83 83 LEU CD2 C 13 24.484 0.05 . 1 . . . . . . . . 5677 1 798 . 1 1 83 83 LEU HD21 H 1 1.024 0.02 . 1 . . . . . . . . 5677 1 799 . 1 1 83 83 LEU HD22 H 1 1.024 0.02 . 1 . . . . . . . . 5677 1 800 . 1 1 83 83 LEU HD23 H 1 1.024 0.02 . 1 . . . . . . . . 5677 1 801 . 1 1 83 83 LEU C C 13 178.895 0.05 . 1 . . . . . . . . 5677 1 802 . 1 1 84 84 LEU N N 15 118.273 0.05 . 1 . . . . . . . . 5677 1 803 . 1 1 84 84 LEU H H 1 7.879 0.02 . 1 . . . . . . . . 5677 1 804 . 1 1 84 84 LEU CA C 13 58.243 0.05 . 1 . . . . . . . . 5677 1 805 . 1 1 84 84 LEU HA H 1 4.279 0.02 . 1 . . . . . . . . 5677 1 806 . 1 1 84 84 LEU CB C 13 41.716 0.05 . 1 . . . . . . . . 5677 1 807 . 1 1 84 84 LEU HB3 H 1 1.655 0.02 . 1 . . . . . . . . 5677 1 808 . 1 1 84 84 LEU HB2 H 1 1.655 0.02 . 1 . . . . . . . . 5677 1 809 . 1 1 84 84 LEU CG C 13 27.081 0.05 . 1 . . . . . . . . 5677 1 810 . 1 1 84 84 LEU CD1 C 13 24.868 0.05 . 1 . . . . . . . . 5677 1 811 . 1 1 84 84 LEU CD2 C 13 24.868 0.05 . 1 . . . . . . . . 5677 1 812 . 1 1 85 85 ASN N N 15 116.774 0.05 . 1 . . . . . . . . 5677 1 813 . 1 1 85 85 ASN H H 1 8.079 0.02 . 1 . . . . . . . . 5677 1 814 . 1 1 85 85 ASN CA C 13 56.845 0.05 . 1 . . . . . . . . 5677 1 815 . 1 1 85 85 ASN HA H 1 4.603 0.02 . 1 . . . . . . . . 5677 1 816 . 1 1 85 85 ASN CB C 13 38.820 0.05 . 1 . . . . . . . . 5677 1 817 . 1 1 85 85 ASN HB3 H 1 2.972 0.02 . 2 . . . . . . . . 5677 1 818 . 1 1 85 85 ASN HB2 H 1 2.887 0.02 . 2 . . . . . . . . 5677 1 819 . 1 1 85 85 ASN ND2 N 15 111.579 0.05 . 1 . . . . . . . . 5677 1 820 . 1 1 85 85 ASN HD21 H 1 6.735 0.02 . 2 . . . . . . . . 5677 1 821 . 1 1 85 85 ASN HD22 H 1 7.432 0.02 . 2 . . . . . . . . 5677 1 822 . 1 1 85 85 ASN C C 13 179.149 0.05 . 1 . . . . . . . . 5677 1 823 . 1 1 86 86 SER N N 15 118.381 0.05 . 1 . . . . . . . . 5677 1 824 . 1 1 86 86 SER H H 1 8.425 0.02 . 1 . . . . . . . . 5677 1 825 . 1 1 86 86 SER CA C 13 62.071 0.05 . 1 . . . . . . . . 5677 1 826 . 1 1 86 86 SER HA H 1 4.435 0.02 . 1 . . . . . . . . 5677 1 827 . 1 1 86 86 SER CB C 13 62.543 0.05 . 1 . . . . . . . . 5677 1 828 . 1 1 86 86 SER HB3 H 1 4.207 0.02 . 1 . . . . . . . . 5677 1 829 . 1 1 86 86 SER HB2 H 1 4.207 0.02 . 1 . . . . . . . . 5677 1 830 . 1 1 86 86 SER C C 13 177.052 0.05 . 1 . . . . . . . . 5677 1 831 . 1 1 87 87 ASP N N 15 123.233 0.05 . 1 . . . . . . . . 5677 1 832 . 1 1 87 87 ASP H H 1 9.041 0.02 . 1 . . . . . . . . 5677 1 833 . 1 1 87 87 ASP CA C 13 56.037 0.05 . 1 . . . . . . . . 5677 1 834 . 1 1 87 87 ASP HA H 1 4.571 0.02 . 1 . . . . . . . . 5677 1 835 . 1 1 87 87 ASP CB C 13 38.702 0.05 . 1 . . . . . . . . 5677 1 836 . 1 1 87 87 ASP HB3 H 1 3.408 0.02 . 2 . . . . . . . . 5677 1 837 . 1 1 87 87 ASP HB2 H 1 2.717 0.02 . 2 . . . . . . . . 5677 1 838 . 1 1 87 87 ASP C C 13 178.867 0.05 . 1 . . . . . . . . 5677 1 839 . 1 1 88 88 LEU N N 15 121.879 0.05 . 1 . . . . . . . . 5677 1 840 . 1 1 88 88 LEU H H 1 8.399 0.02 . 1 . . . . . . . . 5677 1 841 . 1 1 88 88 LEU CA C 13 58.085 0.05 . 1 . . . . . . . . 5677 1 842 . 1 1 88 88 LEU HA H 1 4.178 0.02 . 1 . . . . . . . . 5677 1 843 . 1 1 88 88 LEU CB C 13 40.940 0.05 . 1 . . . . . . . . 5677 1 844 . 1 1 88 88 LEU CG C 13 26.757 0.05 . 1 . . . . . . . . 5677 1 845 . 1 1 88 88 LEU CD1 C 13 23.134 0.05 . 1 . . . . . . . . 5677 1 846 . 1 1 88 88 LEU CD2 C 13 23.134 0.05 . 1 . . . . . . . . 5677 1 847 . 1 1 88 88 LEU C C 13 177.487 0.05 . 1 . . . . . . . . 5677 1 848 . 1 1 89 89 ALA N N 15 120.977 0.05 . 1 . . . . . . . . 5677 1 849 . 1 1 89 89 ALA H H 1 7.951 0.02 . 1 . . . . . . . . 5677 1 850 . 1 1 89 89 ALA CA C 13 55.418 0.05 . 1 . . . . . . . . 5677 1 851 . 1 1 89 89 ALA HA H 1 4.158 0.02 . 1 . . . . . . . . 5677 1 852 . 1 1 89 89 ALA CB C 13 17.624 0.05 . 1 . . . . . . . . 5677 1 853 . 1 1 89 89 ALA HB1 H 1 1.673 0.02 . 1 . . . . . . . . 5677 1 854 . 1 1 89 89 ALA HB2 H 1 1.673 0.02 . 1 . . . . . . . . 5677 1 855 . 1 1 89 89 ALA HB3 H 1 1.673 0.02 . 1 . . . . . . . . 5677 1 856 . 1 1 89 89 ALA C C 13 180.509 0.05 . 1 . . . . . . . . 5677 1 857 . 1 1 90 90 GLU N N 15 118.786 0.05 . 1 . . . . . . . . 5677 1 858 . 1 1 90 90 GLU H H 1 8.154 0.02 . 1 . . . . . . . . 5677 1 859 . 1 1 90 90 GLU CA C 13 59.085 0.05 . 1 . . . . . . . . 5677 1 860 . 1 1 90 90 GLU HA H 1 4.431 0.02 . 1 . . . . . . . . 5677 1 861 . 1 1 90 90 GLU CB C 13 29.368 0.05 . 1 . . . . . . . . 5677 1 862 . 1 1 90 90 GLU HB3 H 1 2.391 0.02 . 1 . . . . . . . . 5677 1 863 . 1 1 90 90 GLU HB2 H 1 2.391 0.02 . 1 . . . . . . . . 5677 1 864 . 1 1 90 90 GLU CG C 13 35.584 0.05 . 1 . . . . . . . . 5677 1 865 . 1 1 90 90 GLU HG3 H 1 2.566 0.02 . 1 . . . . . . . . 5677 1 866 . 1 1 90 90 GLU HG2 H 1 2.566 0.02 . 1 . . . . . . . . 5677 1 867 . 1 1 90 90 GLU C C 13 178.104 0.05 . 1 . . . . . . . . 5677 1 868 . 1 1 91 91 LEU N N 15 121.020 0.05 . 1 . . . . . . . . 5677 1 869 . 1 1 91 91 LEU H H 1 8.138 0.02 . 1 . . . . . . . . 5677 1 870 . 1 1 91 91 LEU CA C 13 58.990 0.05 . 1 . . . . . . . . 5677 1 871 . 1 1 91 91 LEU HA H 1 4.051 0.02 . 1 . . . . . . . . 5677 1 872 . 1 1 91 91 LEU CB C 13 41.893 0.05 . 1 . . . . . . . . 5677 1 873 . 1 1 91 91 LEU HB3 H 1 1.549 0.02 . 1 . . . . . . . . 5677 1 874 . 1 1 91 91 LEU HB2 H 1 1.549 0.02 . 1 . . . . . . . . 5677 1 875 . 1 1 91 91 LEU CG C 13 26.871 0.05 . 1 . . . . . . . . 5677 1 876 . 1 1 91 91 LEU CD1 C 13 24.470 0.05 . 1 . . . . . . . . 5677 1 877 . 1 1 91 91 LEU CD2 C 13 24.470 0.05 . 1 . . . . . . . . 5677 1 878 . 1 1 91 91 LEU C C 13 177.983 0.05 . 1 . . . . . . . . 5677 1 879 . 1 1 92 92 ILE N N 15 118.561 0.05 . 1 . . . . . . . . 5677 1 880 . 1 1 92 92 ILE H H 1 8.612 0.02 . 1 . . . . . . . . 5677 1 881 . 1 1 92 92 ILE CA C 13 65.657 0.05 . 1 . . . . . . . . 5677 1 882 . 1 1 92 92 ILE HA H 1 3.731 0.02 . 1 . . . . . . . . 5677 1 883 . 1 1 92 92 ILE CB C 13 37.940 0.05 . 1 . . . . . . . . 5677 1 884 . 1 1 92 92 ILE HB H 1 2.021 0.02 . 1 . . . . . . . . 5677 1 885 . 1 1 92 92 ILE CG1 C 13 29.777 0.05 . 2 . . . . . . . . 5677 1 886 . 1 1 92 92 ILE HG13 H 1 1.153 0.02 . 1 . . . . . . . . 5677 1 887 . 1 1 92 92 ILE HG12 H 1 1.153 0.02 . 1 . . . . . . . . 5677 1 888 . 1 1 92 92 ILE CD1 C 13 13.393 0.05 . 1 . . . . . . . . 5677 1 889 . 1 1 92 92 ILE HD11 H 1 0.934 0.02 . 1 . . . . . . . . 5677 1 890 . 1 1 92 92 ILE HD12 H 1 0.934 0.02 . 1 . . . . . . . . 5677 1 891 . 1 1 92 92 ILE HD13 H 1 0.934 0.02 . 1 . . . . . . . . 5677 1 892 . 1 1 92 92 ILE CG2 C 13 17.471 0.05 . 1 . . . . . . . . 5677 1 893 . 1 1 92 92 ILE HG21 H 1 1.065 0.02 . 1 . . . . . . . . 5677 1 894 . 1 1 92 92 ILE HG22 H 1 1.065 0.02 . 1 . . . . . . . . 5677 1 895 . 1 1 92 92 ILE HG23 H 1 1.065 0.02 . 1 . . . . . . . . 5677 1 896 . 1 1 92 92 ILE C C 13 178.063 0.05 . 1 . . . . . . . . 5677 1 897 . 1 1 93 93 ASN N N 15 118.752 0.05 . 1 . . . . . . . . 5677 1 898 . 1 1 93 93 ASN H H 1 8.426 0.02 . 1 . . . . . . . . 5677 1 899 . 1 1 93 93 ASN CA C 13 56.608 0.05 . 1 . . . . . . . . 5677 1 900 . 1 1 93 93 ASN HA H 1 4.571 0.02 . 1 . . . . . . . . 5677 1 901 . 1 1 93 93 ASN CB C 13 38.607 0.05 . 1 . . . . . . . . 5677 1 902 . 1 1 93 93 ASN HB3 H 1 3.143 0.02 . 2 . . . . . . . . 5677 1 903 . 1 1 93 93 ASN HB2 H 1 2.987 0.02 . 2 . . . . . . . . 5677 1 904 . 1 1 93 93 ASN ND2 N 15 112.034 0.05 . 1 . . . . . . . . 5677 1 905 . 1 1 93 93 ASN HD21 H 1 6.937 0.02 . 2 . . . . . . . . 5677 1 906 . 1 1 93 93 ASN HD22 H 1 7.670 0.02 . 2 . . . . . . . . 5677 1 907 . 1 1 93 93 ASN C C 13 178.747 0.05 . 1 . . . . . . . . 5677 1 908 . 1 1 94 94 LYS N N 15 117.286 0.05 . 1 . . . . . . . . 5677 1 909 . 1 1 94 94 LYS H H 1 8.730 0.02 . 1 . . . . . . . . 5677 1 910 . 1 1 94 94 LYS CA C 13 57.704 0.05 . 1 . . . . . . . . 5677 1 911 . 1 1 94 94 LYS CB C 13 30.987 0.05 . 1 . . . . . . . . 5677 1 912 . 1 1 94 94 LYS CG C 13 25.145 0.05 . 1 . . . . . . . . 5677 1 913 . 1 1 94 94 LYS CD C 13 27.565 0.05 . 1 . . . . . . . . 5677 1 914 . 1 1 94 94 LYS CE C 13 42.981 0.05 . 1 . . . . . . . . 5677 1 915 . 1 1 94 94 LYS C C 13 178.482 0.05 . 1 . . . . . . . . 5677 1 916 . 1 1 95 95 MET N N 15 122.390 0.05 . 1 . . . . . . . . 5677 1 917 . 1 1 95 95 MET H H 1 8.693 0.02 . 1 . . . . . . . . 5677 1 918 . 1 1 95 95 MET CA C 13 59.704 0.05 . 1 . . . . . . . . 5677 1 919 . 1 1 95 95 MET CB C 13 33.355 0.05 . 1 . . . . . . . . 5677 1 920 . 1 1 95 95 MET CG C 13 31.574 0.05 . 1 . . . . . . . . 5677 1 921 . 1 1 95 95 MET C C 13 178.244 0.05 . 1 . . . . . . . . 5677 1 922 . 1 1 96 96 LYS N N 15 119.027 0.05 . 1 . . . . . . . . 5677 1 923 . 1 1 96 96 LYS H H 1 8.372 0.02 . 1 . . . . . . . . 5677 1 924 . 1 1 96 96 LYS CA C 13 59.783 0.05 . 1 . . . . . . . . 5677 1 925 . 1 1 96 96 LYS HA H 1 4.228 0.02 . 1 . . . . . . . . 5677 1 926 . 1 1 96 96 LYS CB C 13 32.135 0.05 . 1 . . . . . . . . 5677 1 927 . 1 1 96 96 LYS HB3 H 1 2.027 0.02 . 1 . . . . . . . . 5677 1 928 . 1 1 96 96 LYS HB2 H 1 2.027 0.02 . 1 . . . . . . . . 5677 1 929 . 1 1 96 96 LYS CG C 13 25.718 0.05 . 1 . . . . . . . . 5677 1 930 . 1 1 96 96 LYS HG3 H 1 1.582 0.02 . 1 . . . . . . . . 5677 1 931 . 1 1 96 96 LYS HG2 H 1 1.582 0.02 . 1 . . . . . . . . 5677 1 932 . 1 1 96 96 LYS CD C 13 29.625 0.05 . 1 . . . . . . . . 5677 1 933 . 1 1 96 96 LYS HD3 H 1 1.848 0.02 . 1 . . . . . . . . 5677 1 934 . 1 1 96 96 LYS HD2 H 1 1.848 0.02 . 1 . . . . . . . . 5677 1 935 . 1 1 96 96 LYS CE C 13 42.221 0.05 . 1 . . . . . . . . 5677 1 936 . 1 1 96 96 LYS HE3 H 1 3.056 0.02 . 1 . . . . . . . . 5677 1 937 . 1 1 96 96 LYS HE2 H 1 3.056 0.02 . 1 . . . . . . . . 5677 1 938 . 1 1 96 96 LYS C C 13 180.472 0.05 . 1 . . . . . . . . 5677 1 939 . 1 1 97 97 LEU N N 15 120.792 0.05 . 1 . . . . . . . . 5677 1 940 . 1 1 97 97 LEU H H 1 7.703 0.02 . 1 . . . . . . . . 5677 1 941 . 1 1 97 97 LEU CA C 13 57.942 0.05 . 1 . . . . . . . . 5677 1 942 . 1 1 97 97 LEU HA H 1 4.139 0.02 . 1 . . . . . . . . 5677 1 943 . 1 1 97 97 LEU CB C 13 41.131 0.05 . 1 . . . . . . . . 5677 1 944 . 1 1 97 97 LEU HB3 H 1 1.641 0.02 . 1 . . . . . . . . 5677 1 945 . 1 1 97 97 LEU HB2 H 1 1.641 0.02 . 1 . . . . . . . . 5677 1 946 . 1 1 97 97 LEU CG C 13 26.744 0.05 . 1 . . . . . . . . 5677 1 947 . 1 1 97 97 LEU CD1 C 13 25.867 0.05 . 1 . . . . . . . . 5677 1 948 . 1 1 97 97 LEU CD2 C 13 23.120 0.05 . 1 . . . . . . . . 5677 1 949 . 1 1 97 97 LEU C C 13 178.426 0.05 . 1 . . . . . . . . 5677 1 950 . 1 1 98 98 ALA N N 15 121.436 0.05 . 1 . . . . . . . . 5677 1 951 . 1 1 98 98 ALA H H 1 8.506 0.02 . 1 . . . . . . . . 5677 1 952 . 1 1 98 98 ALA CA C 13 56.132 0.05 . 1 . . . . . . . . 5677 1 953 . 1 1 98 98 ALA HA H 1 4.154 0.02 . 1 . . . . . . . . 5677 1 954 . 1 1 98 98 ALA CB C 13 17.557 0.05 . 1 . . . . . . . . 5677 1 955 . 1 1 98 98 ALA HB1 H 1 1.529 0.02 . 1 . . . . . . . . 5677 1 956 . 1 1 98 98 ALA HB2 H 1 1.529 0.02 . 1 . . . . . . . . 5677 1 957 . 1 1 98 98 ALA HB3 H 1 1.529 0.02 . 1 . . . . . . . . 5677 1 958 . 1 1 98 98 ALA C C 13 179.810 0.05 . 1 . . . . . . . . 5677 1 959 . 1 1 99 99 GLN N N 15 114.512 0.05 . 1 . . . . . . . . 5677 1 960 . 1 1 99 99 GLN H H 1 8.194 0.02 . 1 . . . . . . . . 5677 1 961 . 1 1 99 99 GLN CA C 13 58.656 0.05 . 1 . . . . . . . . 5677 1 962 . 1 1 99 99 GLN HA H 1 4.203 0.02 . 1 . . . . . . . . 5677 1 963 . 1 1 99 99 GLN CB C 13 29.749 0.05 . 1 . . . . . . . . 5677 1 964 . 1 1 99 99 GLN HB3 H 1 2.410 0.02 . 1 . . . . . . . . 5677 1 965 . 1 1 99 99 GLN HB2 H 1 2.410 0.02 . 1 . . . . . . . . 5677 1 966 . 1 1 99 99 GLN CG C 13 34.962 0.05 . 1 . . . . . . . . 5677 1 967 . 1 1 99 99 GLN HG3 H 1 2.723 0.02 . 1 . . . . . . . . 5677 1 968 . 1 1 99 99 GLN HG2 H 1 2.723 0.02 . 1 . . . . . . . . 5677 1 969 . 1 1 99 99 GLN NE2 N 15 109.841 0.05 . 1 . . . . . . . . 5677 1 970 . 1 1 99 99 GLN HE21 H 1 6.640 0.02 . 2 . . . . . . . . 5677 1 971 . 1 1 99 99 GLN HE22 H 1 7.392 0.02 . 2 . . . . . . . . 5677 1 972 . 1 1 99 99 GLN C C 13 178.515 0.05 . 1 . . . . . . . . 5677 1 973 . 1 1 100 100 GLN N N 15 119.753 0.05 . 1 . . . . . . . . 5677 1 974 . 1 1 100 100 GLN H H 1 8.107 0.02 . 1 . . . . . . . . 5677 1 975 . 1 1 100 100 GLN CA C 13 58.008 0.05 . 1 . . . . . . . . 5677 1 976 . 1 1 100 100 GLN HA H 1 4.107 0.02 . 1 . . . . . . . . 5677 1 977 . 1 1 100 100 GLN CB C 13 28.977 0.05 . 1 . . . . . . . . 5677 1 978 . 1 1 100 100 GLN HB3 H 1 1.981 0.02 . 1 . . . . . . . . 5677 1 979 . 1 1 100 100 GLN HB2 H 1 1.981 0.02 . 1 . . . . . . . . 5677 1 980 . 1 1 100 100 GLN CG C 13 33.579 0.05 . 1 . . . . . . . . 5677 1 981 . 1 1 100 100 GLN HG3 H 1 2.308 0.02 . 1 . . . . . . . . 5677 1 982 . 1 1 100 100 GLN HG2 H 1 2.308 0.02 . 1 . . . . . . . . 5677 1 983 . 1 1 100 100 GLN NE2 N 15 110.017 0.05 . 1 . . . . . . . . 5677 1 984 . 1 1 100 100 GLN HE21 H 1 6.723 0.02 . 2 . . . . . . . . 5677 1 985 . 1 1 100 100 GLN HE22 H 1 7.079 0.02 . 2 . . . . . . . . 5677 1 986 . 1 1 100 100 GLN C C 13 177.363 0.05 . 1 . . . . . . . . 5677 1 987 . 1 1 101 101 TYR N N 15 115.940 0.05 . 1 . . . . . . . . 5677 1 988 . 1 1 101 101 TYR H H 1 7.897 0.02 . 1 . . . . . . . . 5677 1 989 . 1 1 101 101 TYR CA C 13 58.605 0.05 . 1 . . . . . . . . 5677 1 990 . 1 1 101 101 TYR HA H 1 4.759 0.02 . 1 . . . . . . . . 5677 1 991 . 1 1 101 101 TYR CB C 13 37.450 0.05 . 1 . . . . . . . . 5677 1 992 . 1 1 101 101 TYR HB3 H 1 3.472 0.02 . 2 . . . . . . . . 5677 1 993 . 1 1 101 101 TYR HB2 H 1 2.747 0.02 . 2 . . . . . . . . 5677 1 994 . 1 1 101 101 TYR CD1 C 13 133.345 0.05 . 1 . . . . . . . . 5677 1 995 . 1 1 101 101 TYR HD1 H 1 7.427 0.02 . 1 . . . . . . . . 5677 1 996 . 1 1 101 101 TYR CE1 C 13 117.690 0.05 . 1 . . . . . . . . 5677 1 997 . 1 1 101 101 TYR HE1 H 1 6.843 0.02 . 1 . . . . . . . . 5677 1 998 . 1 1 101 101 TYR CE2 C 13 117.690 0.05 . 1 . . . . . . . . 5677 1 999 . 1 1 101 101 TYR HE2 H 1 6.843 0.02 . 1 . . . . . . . . 5677 1 1000 . 1 1 101 101 TYR CD2 C 13 133.345 0.05 . 1 . . . . . . . . 5677 1 1001 . 1 1 101 101 TYR HD2 H 1 7.427 0.02 . 1 . . . . . . . . 5677 1 1002 . 1 1 101 101 TYR C C 13 176.293 0.05 . 1 . . . . . . . . 5677 1 1003 . 1 1 102 102 VAL N N 15 121.129 0.05 . 1 . . . . . . . . 5677 1 1004 . 1 1 102 102 VAL H H 1 7.368 0.02 . 1 . . . . . . . . 5677 1 1005 . 1 1 102 102 VAL CA C 13 64.125 0.05 . 1 . . . . . . . . 5677 1 1006 . 1 1 102 102 VAL HA H 1 4.471 0.02 . 1 . . . . . . . . 5677 1 1007 . 1 1 102 102 VAL CB C 13 32.238 0.05 . 1 . . . . . . . . 5677 1 1008 . 1 1 102 102 VAL HB H 1 2.519 0.02 . 1 . . . . . . . . 5677 1 1009 . 1 1 102 102 VAL CG2 C 13 21.552 0.05 . 1 . . . . . . . . 5677 1 1010 . 1 1 102 102 VAL HG21 H 1 1.232 0.02 . 1 . . . . . . . . 5677 1 1011 . 1 1 102 102 VAL HG22 H 1 1.232 0.02 . 1 . . . . . . . . 5677 1 1012 . 1 1 102 102 VAL HG23 H 1 1.232 0.02 . 1 . . . . . . . . 5677 1 1013 . 1 1 102 102 VAL CG1 C 13 20.919 0.05 . 1 . . . . . . . . 5677 1 1014 . 1 1 102 102 VAL HG11 H 1 1.232 0.02 . 1 . . . . . . . . 5677 1 1015 . 1 1 102 102 VAL HG12 H 1 1.232 0.02 . 1 . . . . . . . . 5677 1 1016 . 1 1 102 102 VAL HG13 H 1 1.232 0.02 . 1 . . . . . . . . 5677 1 1017 . 1 1 102 102 VAL C C 13 175.142 0.05 . 1 . . . . . . . . 5677 1 1018 . 1 1 103 103 MET N N 15 118.411 0.05 . 1 . . . . . . . . 5677 1 1019 . 1 1 103 103 MET H H 1 8.700 0.02 . 1 . . . . . . . . 5677 1 1020 . 1 1 103 103 MET CA C 13 56.424 0.05 . 1 . . . . . . . . 5677 1 1021 . 1 1 103 103 MET HA H 1 4.643 0.02 . 1 . . . . . . . . 5677 1 1022 . 1 1 103 103 MET CB C 13 31.104 0.05 . 1 . . . . . . . . 5677 1 1023 . 1 1 103 103 MET HB3 H 1 2.764 0.02 . 1 . . . . . . . . 5677 1 1024 . 1 1 103 103 MET HB2 H 1 2.764 0.02 . 1 . . . . . . . . 5677 1 1025 . 1 1 103 103 MET CG C 13 33.039 0.05 . 1 . . . . . . . . 5677 1 1026 . 1 1 103 103 MET HG3 H 1 2.882 0.02 . 1 . . . . . . . . 5677 1 1027 . 1 1 103 103 MET HG2 H 1 2.882 0.02 . 1 . . . . . . . . 5677 1 1028 . 1 1 104 104 THR N N 15 110.603 0.05 . 1 . . . . . . . . 5677 1 1029 . 1 1 104 104 THR H H 1 8.133 0.02 . 1 . . . . . . . . 5677 1 1030 . 1 1 105 105 SER CA C 13 60.841 0.05 . 1 . . . . . . . . 5677 1 1031 . 1 1 105 105 SER CB C 13 62.816 0.05 . 1 . . . . . . . . 5677 1 1032 . 1 1 105 105 SER C C 13 175.967 0.05 . 1 . . . . . . . . 5677 1 1033 . 1 1 106 106 LEU N N 15 122.025 0.05 . 1 . . . . . . . . 5677 1 1034 . 1 1 106 106 LEU H H 1 7.968 0.02 . 1 . . . . . . . . 5677 1 1035 . 1 1 106 106 LEU CA C 13 56.032 0.05 . 1 . . . . . . . . 5677 1 1036 . 1 1 106 106 LEU HA H 1 4.451 0.02 . 1 . . . . . . . . 5677 1 1037 . 1 1 106 106 LEU CB C 13 42.212 0.05 . 1 . . . . . . . . 5677 1 1038 . 1 1 106 106 LEU HB3 H 1 1.551 0.02 . 2 . . . . . . . . 5677 1 1039 . 1 1 106 106 LEU HB2 H 1 1.745 0.02 . 2 . . . . . . . . 5677 1 1040 . 1 1 106 106 LEU CG C 13 25.154 0.05 . 1 . . . . . . . . 5677 1 1041 . 1 1 106 106 LEU HG H 1 1.738 0.02 . 1 . . . . . . . . 5677 1 1042 . 1 1 106 106 LEU CD1 C 13 23.140 0.05 . 1 . . . . . . . . 5677 1 1043 . 1 1 106 106 LEU CD2 C 13 23.140 0.05 . 1 . . . . . . . . 5677 1 1044 . 1 1 107 107 GLN N N 15 120.073 0.05 . 1 . . . . . . . . 5677 1 1045 . 1 1 107 107 GLN H H 1 7.897 0.02 . 1 . . . . . . . . 5677 1 1046 . 1 1 107 107 GLN CA C 13 60.643 0.05 . 1 . . . . . . . . 5677 1 1047 . 1 1 107 107 GLN HA H 1 4.098 0.02 . 1 . . . . . . . . 5677 1 1048 . 1 1 107 107 GLN CB C 13 28.519 0.05 . 1 . . . . . . . . 5677 1 1049 . 1 1 107 107 GLN HB3 H 1 2.759 0.02 . 2 . . . . . . . . 5677 1 1050 . 1 1 107 107 GLN HB2 H 1 2.455 0.02 . 2 . . . . . . . . 5677 1 1051 . 1 1 107 107 GLN CG C 13 34.201 0.05 . 1 . . . . . . . . 5677 1 1052 . 1 1 107 107 GLN HG3 H 1 2.852 0.02 . 2 . . . . . . . . 5677 1 1053 . 1 1 107 107 GLN HG2 H 1 2.596 0.02 . 2 . . . . . . . . 5677 1 1054 . 1 1 107 107 GLN NE2 N 15 111.951 0.05 . 1 . . . . . . . . 5677 1 1055 . 1 1 107 107 GLN HE21 H 1 7.320 0.02 . 2 . . . . . . . . 5677 1 1056 . 1 1 107 107 GLN HE22 H 1 7.817 0.02 . 2 . . . . . . . . 5677 1 1057 . 1 1 107 107 GLN C C 13 178.330 0.05 . 1 . . . . . . . . 5677 1 1058 . 1 1 108 108 GLN N N 15 116.384 0.05 . 1 . . . . . . . . 5677 1 1059 . 1 1 108 108 GLN H H 1 8.416 0.02 . 1 . . . . . . . . 5677 1 1060 . 1 1 108 108 GLN CA C 13 58.806 0.05 . 1 . . . . . . . . 5677 1 1061 . 1 1 108 108 GLN HA H 1 4.228 0.02 . 1 . . . . . . . . 5677 1 1062 . 1 1 108 108 GLN CB C 13 28.131 0.05 . 1 . . . . . . . . 5677 1 1063 . 1 1 108 108 GLN HB3 H 1 2.345 0.02 . 2 . . . . . . . . 5677 1 1064 . 1 1 108 108 GLN CG C 13 34.063 0.05 . 1 . . . . . . . . 5677 1 1065 . 1 1 108 108 GLN HG3 H 1 2.644 0.02 . 2 . . . . . . . . 5677 1 1066 . 1 1 108 108 GLN NE2 N 15 111.756 0.05 . 1 . . . . . . . . 5677 1 1067 . 1 1 108 108 GLN HE21 H 1 7.077 0.02 . 2 . . . . . . . . 5677 1 1068 . 1 1 108 108 GLN HE22 H 1 7.640 0.02 . 2 . . . . . . . . 5677 1 1069 . 1 1 108 108 GLN C C 13 178.491 0.05 . 1 . . . . . . . . 5677 1 1070 . 1 1 109 109 GLU N N 15 120.980 0.05 . 1 . . . . . . . . 5677 1 1071 . 1 1 109 109 GLU H H 1 7.683 0.02 . 1 . . . . . . . . 5677 1 1072 . 1 1 109 109 GLU CA C 13 58.806 0.05 . 1 . . . . . . . . 5677 1 1073 . 1 1 109 109 GLU HA H 1 4.209 0.02 . 1 . . . . . . . . 5677 1 1074 . 1 1 109 109 GLU CB C 13 28.759 0.05 . 1 . . . . . . . . 5677 1 1075 . 1 1 109 109 GLU HB3 H 1 1.861 0.02 . 2 . . . . . . . . 5677 1 1076 . 1 1 109 109 GLU HB2 H 1 2.225 0.02 . 2 . . . . . . . . 5677 1 1077 . 1 1 109 109 GLU CG C 13 34.962 0.05 . 1 . . . . . . . . 5677 1 1078 . 1 1 109 109 GLU HG3 H 1 2.225 0.02 . 2 . . . . . . . . 5677 1 1079 . 1 1 109 109 GLU HG2 H 1 2.020 0.02 . 2 . . . . . . . . 5677 1 1080 . 1 1 109 109 GLU C C 13 179.013 0.05 . 1 . . . . . . . . 5677 1 1081 . 1 1 110 110 TYR N N 15 117.399 0.05 . 1 . . . . . . . . 5677 1 1082 . 1 1 110 110 TYR H H 1 7.970 0.02 . 1 . . . . . . . . 5677 1 1083 . 1 1 110 110 TYR CA C 13 62.052 0.05 . 1 . . . . . . . . 5677 1 1084 . 1 1 110 110 TYR HA H 1 4.478 0.02 . 1 . . . . . . . . 5677 1 1085 . 1 1 110 110 TYR CB C 13 37.344 0.05 . 1 . . . . . . . . 5677 1 1086 . 1 1 110 110 TYR HB3 H 1 3.290 0.02 . 2 . . . . . . . . 5677 1 1087 . 1 1 110 110 TYR HB2 H 1 2.795 0.02 . 2 . . . . . . . . 5677 1 1088 . 1 1 110 110 TYR HD1 H 1 7.053 0.02 . 1 . . . . . . . . 5677 1 1089 . 1 1 110 110 TYR CE1 C 13 118.388 0.05 . 1 . . . . . . . . 5677 1 1090 . 1 1 110 110 TYR HE1 H 1 6.613 0.02 . 1 . . . . . . . . 5677 1 1091 . 1 1 110 110 TYR CE2 C 13 118.388 0.05 . 1 . . . . . . . . 5677 1 1092 . 1 1 110 110 TYR HE2 H 1 6.613 0.02 . 1 . . . . . . . . 5677 1 1093 . 1 1 110 110 TYR HD2 H 1 7.053 0.02 . 1 . . . . . . . . 5677 1 1094 . 1 1 110 110 TYR C C 13 178.914 0.05 . 1 . . . . . . . . 5677 1 1095 . 1 1 111 111 LYS N N 15 121.878 0.05 . 1 . . . . . . . . 5677 1 1096 . 1 1 111 111 LYS H H 1 8.522 0.02 . 1 . . . . . . . . 5677 1 1097 . 1 1 111 111 LYS CA C 13 60.743 0.05 . 1 . . . . . . . . 5677 1 1098 . 1 1 111 111 LYS HA H 1 4.275 0.02 . 1 . . . . . . . . 5677 1 1099 . 1 1 111 111 LYS CB C 13 32.737 0.05 . 1 . . . . . . . . 5677 1 1100 . 1 1 111 111 LYS HB3 H 1 1.973 0.02 . 1 . . . . . . . . 5677 1 1101 . 1 1 111 111 LYS HB2 H 1 1.973 0.02 . 1 . . . . . . . . 5677 1 1102 . 1 1 111 111 LYS CG C 13 25.975 0.05 . 1 . . . . . . . . 5677 1 1103 . 1 1 111 111 LYS HG3 H 1 1.640 0.02 . 1 . . . . . . . . 5677 1 1104 . 1 1 111 111 LYS HG2 H 1 1.640 0.02 . 1 . . . . . . . . 5677 1 1105 . 1 1 111 111 LYS CD C 13 30.606 0.05 . 1 . . . . . . . . 5677 1 1106 . 1 1 111 111 LYS HD3 H 1 1.928 0.02 . 1 . . . . . . . . 5677 1 1107 . 1 1 111 111 LYS HD2 H 1 1.928 0.02 . 1 . . . . . . . . 5677 1 1108 . 1 1 111 111 LYS CE C 13 42.704 0.05 . 1 . . . . . . . . 5677 1 1109 . 1 1 111 111 LYS HE3 H 1 3.119 0.02 . 1 . . . . . . . . 5677 1 1110 . 1 1 111 111 LYS HE2 H 1 3.119 0.02 . 1 . . . . . . . . 5677 1 1111 . 1 1 111 111 LYS C C 13 178.548 0.05 . 1 . . . . . . . . 5677 1 1112 . 1 1 112 112 LYS N N 15 119.488 0.05 . 1 . . . . . . . . 5677 1 1113 . 1 1 112 112 LYS H H 1 8.006 0.02 . 1 . . . . . . . . 5677 1 1114 . 1 1 112 112 LYS CA C 13 60.359 0.05 . 1 . . . . . . . . 5677 1 1115 . 1 1 112 112 LYS HA H 1 4.098 0.02 . 1 . . . . . . . . 5677 1 1116 . 1 1 112 112 LYS CB C 13 31.856 0.05 . 1 . . . . . . . . 5677 1 1117 . 1 1 112 112 LYS HB3 H 1 2.139 0.02 . 1 . . . . . . . . 5677 1 1118 . 1 1 112 112 LYS HB2 H 1 2.139 0.02 . 1 . . . . . . . . 5677 1 1119 . 1 1 112 112 LYS CG C 13 25.283 0.05 . 1 . . . . . . . . 5677 1 1120 . 1 1 112 112 LYS HG3 H 1 1.524 0.02 . 1 . . . . . . . . 5677 1 1121 . 1 1 112 112 LYS HG2 H 1 1.524 0.02 . 1 . . . . . . . . 5677 1 1122 . 1 1 112 112 LYS CD C 13 29.569 0.05 . 1 . . . . . . . . 5677 1 1123 . 1 1 112 112 LYS HD3 H 1 1.800 0.02 . 1 . . . . . . . . 5677 1 1124 . 1 1 112 112 LYS HD2 H 1 1.800 0.02 . 1 . . . . . . . . 5677 1 1125 . 1 1 112 112 LYS CE C 13 42.082 0.05 . 1 . . . . . . . . 5677 1 1126 . 1 1 112 112 LYS HE3 H 1 3.053 0.02 . 1 . . . . . . . . 5677 1 1127 . 1 1 112 112 LYS HE2 H 1 3.053 0.02 . 1 . . . . . . . . 5677 1 1128 . 1 1 112 112 LYS C C 13 179.825 0.05 . 1 . . . . . . . . 5677 1 1129 . 1 1 113 113 GLN N N 15 118.470 0.05 . 1 . . . . . . . . 5677 1 1130 . 1 1 113 113 GLN H H 1 8.026 0.02 . 1 . . . . . . . . 5677 1 1131 . 1 1 113 113 GLN CA C 13 59.434 0.05 . 1 . . . . . . . . 5677 1 1132 . 1 1 113 113 GLN HA H 1 4.285 0.02 . 1 . . . . . . . . 5677 1 1133 . 1 1 113 113 GLN CB C 13 28.256 0.05 . 1 . . . . . . . . 5677 1 1134 . 1 1 113 113 GLN HB3 H 1 2.333 0.02 . 1 . . . . . . . . 5677 1 1135 . 1 1 113 113 GLN HB2 H 1 2.333 0.02 . 1 . . . . . . . . 5677 1 1136 . 1 1 113 113 GLN CG C 13 34.063 0.05 . 1 . . . . . . . . 5677 1 1137 . 1 1 113 113 GLN HG3 H 1 2.587 0.02 . 1 . . . . . . . . 5677 1 1138 . 1 1 113 113 GLN HG2 H 1 2.587 0.02 . 1 . . . . . . . . 5677 1 1139 . 1 1 113 113 GLN NE2 N 15 110.929 0.05 . 1 . . . . . . . . 5677 1 1140 . 1 1 113 113 GLN HE21 H 1 6.621 0.02 . 2 . . . . . . . . 5677 1 1141 . 1 1 113 113 GLN HE22 H 1 7.817 0.02 . 2 . . . . . . . . 5677 1 1142 . 1 1 113 113 GLN C C 13 179.969 0.05 . 1 . . . . . . . . 5677 1 1143 . 1 1 114 114 MET N N 15 122.195 0.05 . 1 . . . . . . . . 5677 1 1144 . 1 1 114 114 MET H H 1 8.532 0.02 . 1 . . . . . . . . 5677 1 1145 . 1 1 114 114 MET CA C 13 60.126 0.05 . 1 . . . . . . . . 5677 1 1146 . 1 1 114 114 MET HA H 1 3.997 0.02 . 1 . . . . . . . . 5677 1 1147 . 1 1 114 114 MET CB C 13 32.888 0.05 . 1 . . . . . . . . 5677 1 1148 . 1 1 114 114 MET HB3 H 1 2.328 0.02 . 1 . . . . . . . . 5677 1 1149 . 1 1 114 114 MET HB2 H 1 2.328 0.02 . 1 . . . . . . . . 5677 1 1150 . 1 1 114 114 MET CG C 13 32.404 0.05 . 1 . . . . . . . . 5677 1 1151 . 1 1 114 114 MET HG3 H 1 2.676 0.02 . 1 . . . . . . . . 5677 1 1152 . 1 1 114 114 MET HG2 H 1 2.676 0.02 . 1 . . . . . . . . 5677 1 1153 . 1 1 114 114 MET C C 13 177.592 0.05 . 1 . . . . . . . . 5677 1 1154 . 1 1 115 115 LEU N N 15 120.014 0.05 . 1 . . . . . . . . 5677 1 1155 . 1 1 115 115 LEU H H 1 8.296 0.02 . 1 . . . . . . . . 5677 1 1156 . 1 1 115 115 LEU CA C 13 58.488 0.05 . 1 . . . . . . . . 5677 1 1157 . 1 1 115 115 LEU HA H 1 4.066 0.02 . 1 . . . . . . . . 5677 1 1158 . 1 1 115 115 LEU CB C 13 40.925 0.05 . 1 . . . . . . . . 5677 1 1159 . 1 1 115 115 LEU HB3 H 1 2.152 0.02 . 2 . . . . . . . . 5677 1 1160 . 1 1 115 115 LEU HB2 H 1 1.739 0.02 . 2 . . . . . . . . 5677 1 1161 . 1 1 115 115 LEU CG C 13 27.357 0.05 . 1 . . . . . . . . 5677 1 1162 . 1 1 115 115 LEU HG H 1 1.943 0.02 . 1 . . . . . . . . 5677 1 1163 . 1 1 115 115 LEU CD1 C 13 25.491 0.05 . 1 . . . . . . . . 5677 1 1164 . 1 1 115 115 LEU HD11 H 1 1.064 0.02 . 2 . . . . . . . . 5677 1 1165 . 1 1 115 115 LEU HD12 H 1 1.064 0.02 . 2 . . . . . . . . 5677 1 1166 . 1 1 115 115 LEU HD13 H 1 1.064 0.02 . 2 . . . . . . . . 5677 1 1167 . 1 1 115 115 LEU CD2 C 13 23.831 0.05 . 1 . . . . . . . . 5677 1 1168 . 1 1 115 115 LEU HD21 H 1 0.992 0.02 . 2 . . . . . . . . 5677 1 1169 . 1 1 115 115 LEU HD22 H 1 0.992 0.02 . 2 . . . . . . . . 5677 1 1170 . 1 1 115 115 LEU HD23 H 1 0.992 0.02 . 2 . . . . . . . . 5677 1 1171 . 1 1 115 115 LEU C C 13 180.324 0.05 . 1 . . . . . . . . 5677 1 1172 . 1 1 116 116 THR N N 15 118.513 0.05 . 1 . . . . . . . . 5677 1 1173 . 1 1 116 116 THR H H 1 8.494 0.02 . 1 . . . . . . . . 5677 1 1174 . 1 1 116 116 THR CA C 13 66.981 0.05 . 1 . . . . . . . . 5677 1 1175 . 1 1 116 116 THR HA H 1 4.156 0.02 . 1 . . . . . . . . 5677 1 1176 . 1 1 116 116 THR CB C 13 68.108 0.05 . 1 . . . . . . . . 5677 1 1177 . 1 1 116 116 THR HB H 1 4.419 0.02 . 1 . . . . . . . . 5677 1 1178 . 1 1 116 116 THR CG2 C 13 22.034 0.05 . 1 . . . . . . . . 5677 1 1179 . 1 1 116 116 THR HG21 H 1 1.434 0.02 . 1 . . . . . . . . 5677 1 1180 . 1 1 116 116 THR HG22 H 1 1.434 0.02 . 1 . . . . . . . . 5677 1 1181 . 1 1 116 116 THR HG23 H 1 1.434 0.02 . 1 . . . . . . . . 5677 1 1182 . 1 1 116 116 THR C C 13 176.769 0.05 . 1 . . . . . . . . 5677 1 1183 . 1 1 117 117 ALA N N 15 125.366 0.05 . 1 . . . . . . . . 5677 1 1184 . 1 1 117 117 ALA H H 1 7.901 0.02 . 1 . . . . . . . . 5677 1 1185 . 1 1 117 117 ALA CA C 13 54.932 0.05 . 1 . . . . . . . . 5677 1 1186 . 1 1 117 117 ALA HA H 1 4.479 0.02 . 1 . . . . . . . . 5677 1 1187 . 1 1 117 117 ALA CB C 13 17.724 0.05 . 1 . . . . . . . . 5677 1 1188 . 1 1 117 117 ALA HB1 H 1 1.677 0.02 . 1 . . . . . . . . 5677 1 1189 . 1 1 117 117 ALA HB2 H 1 1.677 0.02 . 1 . . . . . . . . 5677 1 1190 . 1 1 117 117 ALA HB3 H 1 1.677 0.02 . 1 . . . . . . . . 5677 1 1191 . 1 1 117 117 ALA C C 13 179.931 0.05 . 1 . . . . . . . . 5677 1 1192 . 1 1 118 118 ALA N N 15 121.619 0.05 . 1 . . . . . . . . 5677 1 1193 . 1 1 118 118 ALA H H 1 8.685 0.02 . 1 . . . . . . . . 5677 1 1194 . 1 1 118 118 ALA CA C 13 55.299 0.05 . 1 . . . . . . . . 5677 1 1195 . 1 1 118 118 ALA HA H 1 4.141 0.02 . 1 . . . . . . . . 5677 1 1196 . 1 1 118 118 ALA CB C 13 18.053 0.05 . 1 . . . . . . . . 5677 1 1197 . 1 1 118 118 ALA HB1 H 1 1.663 0.02 . 1 . . . . . . . . 5677 1 1198 . 1 1 118 118 ALA HB2 H 1 1.663 0.02 . 1 . . . . . . . . 5677 1 1199 . 1 1 118 118 ALA HB3 H 1 1.663 0.02 . 1 . . . . . . . . 5677 1 1200 . 1 1 118 118 ALA C C 13 178.551 0.05 . 1 . . . . . . . . 5677 1 1201 . 1 1 119 119 HIS N N 15 116.833 0.05 . 1 . . . . . . . . 5677 1 1202 . 1 1 119 119 HIS H H 1 8.352 0.02 . 1 . . . . . . . . 5677 1 1203 . 1 1 119 119 HIS CA C 13 59.120 0.05 . 1 . . . . . . . . 5677 1 1204 . 1 1 119 119 HIS HA H 1 4.438 0.02 . 1 . . . . . . . . 5677 1 1205 . 1 1 119 119 HIS CB C 13 28.497 0.05 . 1 . . . . . . . . 5677 1 1206 . 1 1 119 119 HIS HB3 H 1 4.486 0.02 . 1 . . . . . . . . 5677 1 1207 . 1 1 119 119 HIS HB2 H 1 4.486 0.02 . 1 . . . . . . . . 5677 1 1208 . 1 1 119 119 HIS HD2 H 1 7.405 0.02 . 3 . . . . . . . . 5677 1 1209 . 1 1 119 119 HIS C C 13 176.556 0.05 . 1 . . . . . . . . 5677 1 1210 . 1 1 120 120 ALA N N 15 121.660 0.05 . 1 . . . . . . . . 5677 1 1211 . 1 1 120 120 ALA H H 1 8.082 0.02 . 1 . . . . . . . . 5677 1 1212 . 1 1 120 120 ALA CA C 13 55.311 0.05 . 1 . . . . . . . . 5677 1 1213 . 1 1 120 120 ALA HA H 1 4.078 0.02 . 1 . . . . . . . . 5677 1 1214 . 1 1 120 120 ALA CB C 13 17.724 0.05 . 1 . . . . . . . . 5677 1 1215 . 1 1 120 120 ALA HB1 H 1 1.584 0.02 . 1 . . . . . . . . 5677 1 1216 . 1 1 120 120 ALA HB2 H 1 1.584 0.02 . 1 . . . . . . . . 5677 1 1217 . 1 1 120 120 ALA HB3 H 1 1.584 0.02 . 1 . . . . . . . . 5677 1 1218 . 1 1 120 120 ALA C C 13 178.685 0.05 . 1 . . . . . . . . 5677 1 1219 . 1 1 121 121 LEU N N 15 117.350 0.05 . 1 . . . . . . . . 5677 1 1220 . 1 1 121 121 LEU H H 1 7.649 0.02 . 1 . . . . . . . . 5677 1 1221 . 1 1 121 121 LEU CA C 13 58.492 0.05 . 1 . . . . . . . . 5677 1 1222 . 1 1 121 121 LEU HA H 1 4.388 0.02 . 1 . . . . . . . . 5677 1 1223 . 1 1 121 121 LEU CB C 13 42.788 0.05 . 1 . . . . . . . . 5677 1 1224 . 1 1 121 121 LEU HB3 H 1 2.061 0.02 . 1 . . . . . . . . 5677 1 1225 . 1 1 121 121 LEU HB2 H 1 2.061 0.02 . 1 . . . . . . . . 5677 1 1226 . 1 1 121 121 LEU CG C 13 28.007 0.05 . 1 . . . . . . . . 5677 1 1227 . 1 1 121 121 LEU HG H 1 1.795 0.02 . 1 . . . . . . . . 5677 1 1228 . 1 1 121 121 LEU CD1 C 13 26.688 0.05 . 1 . . . . . . . . 5677 1 1229 . 1 1 121 121 LEU HD11 H 1 0.980 0.02 . 2 . . . . . . . . 5677 1 1230 . 1 1 121 121 LEU HD12 H 1 0.980 0.02 . 2 . . . . . . . . 5677 1 1231 . 1 1 121 121 LEU HD13 H 1 0.980 0.02 . 2 . . . . . . . . 5677 1 1232 . 1 1 121 121 LEU CD2 C 13 26.688 0.05 . 1 . . . . . . . . 5677 1 1233 . 1 1 121 121 LEU HD21 H 1 1.079 0.02 . 2 . . . . . . . . 5677 1 1234 . 1 1 121 121 LEU HD22 H 1 1.079 0.02 . 2 . . . . . . . . 5677 1 1235 . 1 1 121 121 LEU HD23 H 1 1.079 0.02 . 2 . . . . . . . . 5677 1 1236 . 1 1 121 121 LEU C C 13 178.287 0.05 . 1 . . . . . . . . 5677 1 1237 . 1 1 122 122 ALA N N 15 119.847 0.05 . 1 . . . . . . . . 5677 1 1238 . 1 1 122 122 ALA H H 1 7.655 0.02 . 1 . . . . . . . . 5677 1 1239 . 1 1 122 122 ALA CA C 13 55.718 0.05 . 1 . . . . . . . . 5677 1 1240 . 1 1 122 122 ALA HA H 1 4.007 0.02 . 1 . . . . . . . . 5677 1 1241 . 1 1 122 122 ALA CB C 13 18.316 0.05 . 1 . . . . . . . . 5677 1 1242 . 1 1 122 122 ALA HB1 H 1 1.653 0.02 . 1 . . . . . . . . 5677 1 1243 . 1 1 122 122 ALA HB2 H 1 1.653 0.02 . 1 . . . . . . . . 5677 1 1244 . 1 1 122 122 ALA HB3 H 1 1.653 0.02 . 1 . . . . . . . . 5677 1 1245 . 1 1 123 123 VAL N N 15 119.787 0.05 . 1 . . . . . . . . 5677 1 1246 . 1 1 123 123 VAL H H 1 8.156 0.02 . 1 . . . . . . . . 5677 1 1247 . 1 1 123 123 VAL CA C 13 66.606 0.05 . 1 . . . . . . . . 5677 1 1248 . 1 1 123 123 VAL HA H 1 3.606 0.02 . 1 . . . . . . . . 5677 1 1249 . 1 1 123 123 VAL CB C 13 32.057 0.05 . 1 . . . . . . . . 5677 1 1250 . 1 1 123 123 VAL HB H 1 2.176 0.02 . 1 . . . . . . . . 5677 1 1251 . 1 1 123 123 VAL CG2 C 13 22.575 0.05 . 1 . . . . . . . . 5677 1 1252 . 1 1 123 123 VAL HG21 H 1 0.887 0.02 . 2 . . . . . . . . 5677 1 1253 . 1 1 123 123 VAL HG22 H 1 0.887 0.02 . 2 . . . . . . . . 5677 1 1254 . 1 1 123 123 VAL HG23 H 1 0.887 0.02 . 2 . . . . . . . . 5677 1 1255 . 1 1 123 123 VAL CG1 C 13 21.288 0.05 . 1 . . . . . . . . 5677 1 1256 . 1 1 123 123 VAL HG11 H 1 1.018 0.02 . 2 . . . . . . . . 5677 1 1257 . 1 1 123 123 VAL HG12 H 1 1.018 0.02 . 2 . . . . . . . . 5677 1 1258 . 1 1 123 123 VAL HG13 H 1 1.018 0.02 . 2 . . . . . . . . 5677 1 1259 . 1 1 123 123 VAL C C 13 179.031 0.05 . 1 . . . . . . . . 5677 1 1260 . 1 1 124 124 ASP N N 15 121.362 0.05 . 1 . . . . . . . . 5677 1 1261 . 1 1 124 124 ASP H H 1 9.039 0.02 . 1 . . . . . . . . 5677 1 1262 . 1 1 124 124 ASP CA C 13 57.026 0.05 . 1 . . . . . . . . 5677 1 1263 . 1 1 124 124 ASP HA H 1 4.721 0.02 . 1 . . . . . . . . 5677 1 1264 . 1 1 124 124 ASP CB C 13 38.286 0.05 . 1 . . . . . . . . 5677 1 1265 . 1 1 124 124 ASP HB3 H 1 2.980 0.02 . 2 . . . . . . . . 5677 1 1266 . 1 1 124 124 ASP HB2 H 1 2.635 0.02 . 2 . . . . . . . . 5677 1 1267 . 1 1 124 124 ASP C C 13 179.824 0.05 . 1 . . . . . . . . 5677 1 1268 . 1 1 125 125 ALA N N 15 126.993 0.05 . 1 . . . . . . . . 5677 1 1269 . 1 1 125 125 ALA H H 1 8.839 0.02 . 1 . . . . . . . . 5677 1 1270 . 1 1 125 125 ALA CA C 13 55.665 0.05 . 1 . . . . . . . . 5677 1 1271 . 1 1 125 125 ALA HA H 1 4.189 0.02 . 1 . . . . . . . . 5677 1 1272 . 1 1 125 125 ALA CB C 13 17.789 0.05 . 1 . . . . . . . . 5677 1 1273 . 1 1 125 125 ALA HB1 H 1 1.573 0.02 . 1 . . . . . . . . 5677 1 1274 . 1 1 125 125 ALA HB2 H 1 1.573 0.02 . 1 . . . . . . . . 5677 1 1275 . 1 1 125 125 ALA HB3 H 1 1.573 0.02 . 1 . . . . . . . . 5677 1 1276 . 1 1 125 125 ALA C C 13 177.958 0.05 . 1 . . . . . . . . 5677 1 1277 . 1 1 126 126 LYS N N 15 119.361 0.05 . 1 . . . . . . . . 5677 1 1278 . 1 1 126 126 LYS H H 1 7.737 0.02 . 1 . . . . . . . . 5677 1 1279 . 1 1 126 126 LYS CA C 13 59.487 0.05 . 1 . . . . . . . . 5677 1 1280 . 1 1 126 126 LYS HA H 1 4.057 0.02 . 1 . . . . . . . . 5677 1 1281 . 1 1 126 126 LYS CB C 13 31.743 0.05 . 1 . . . . . . . . 5677 1 1282 . 1 1 126 126 LYS HB3 H 1 1.996 0.02 . 1 . . . . . . . . 5677 1 1283 . 1 1 126 126 LYS HB2 H 1 1.996 0.02 . 1 . . . . . . . . 5677 1 1284 . 1 1 126 126 LYS CG C 13 25.350 0.05 . 1 . . . . . . . . 5677 1 1285 . 1 1 126 126 LYS HG3 H 1 1.585 0.02 . 1 . . . . . . . . 5677 1 1286 . 1 1 126 126 LYS HG2 H 1 1.585 0.02 . 1 . . . . . . . . 5677 1 1287 . 1 1 126 126 LYS CD C 13 29.036 0.05 . 1 . . . . . . . . 5677 1 1288 . 1 1 126 126 LYS HD3 H 1 1.719 0.02 . 1 . . . . . . . . 5677 1 1289 . 1 1 126 126 LYS HD2 H 1 1.719 0.02 . 1 . . . . . . . . 5677 1 1290 . 1 1 126 126 LYS CE C 13 42.359 0.05 . 1 . . . . . . . . 5677 1 1291 . 1 1 126 126 LYS HE3 H 1 3.139 0.02 . 1 . . . . . . . . 5677 1 1292 . 1 1 126 126 LYS HE2 H 1 3.139 0.02 . 1 . . . . . . . . 5677 1 1293 . 1 1 126 126 LYS C C 13 178.687 0.05 . 1 . . . . . . . . 5677 1 1294 . 1 1 127 127 ASN N N 15 118.063 0.05 . 1 . . . . . . . . 5677 1 1295 . 1 1 127 127 ASN H H 1 8.361 0.02 . 1 . . . . . . . . 5677 1 1296 . 1 1 127 127 ASN CA C 13 56.555 0.05 . 1 . . . . . . . . 5677 1 1297 . 1 1 127 127 ASN HA H 1 4.653 0.02 . 1 . . . . . . . . 5677 1 1298 . 1 1 127 127 ASN CB C 13 38.286 0.05 . 1 . . . . . . . . 5677 1 1299 . 1 1 127 127 ASN HB3 H 1 3.063 0.02 . 1 . . . . . . . . 5677 1 1300 . 1 1 127 127 ASN HB2 H 1 3.063 0.02 . 1 . . . . . . . . 5677 1 1301 . 1 1 127 127 ASN ND2 N 15 113.079 0.05 . 1 . . . . . . . . 5677 1 1302 . 1 1 127 127 ASN HD21 H 1 7.009 0.02 . 2 . . . . . . . . 5677 1 1303 . 1 1 127 127 ASN HD22 H 1 8.086 0.02 . 2 . . . . . . . . 5677 1 1304 . 1 1 127 127 ASN C C 13 177.362 0.05 . 1 . . . . . . . . 5677 1 1305 . 1 1 128 128 LEU N N 15 120.263 0.05 . 1 . . . . . . . . 5677 1 1306 . 1 1 128 128 LEU H H 1 7.783 0.02 . 1 . . . . . . . . 5677 1 1307 . 1 1 128 128 LEU CA C 13 58.387 0.05 . 1 . . . . . . . . 5677 1 1308 . 1 1 128 128 LEU HA H 1 4.144 0.02 . 1 . . . . . . . . 5677 1 1309 . 1 1 128 128 LEU CB C 13 40.851 0.05 . 1 . . . . . . . . 5677 1 1310 . 1 1 128 128 LEU CG C 13 26.734 0.05 . 1 . . . . . . . . 5677 1 1311 . 1 1 128 128 LEU CD1 C 13 24.244 0.05 . 1 . . . . . . . . 5677 1 1312 . 1 1 128 128 LEU CD2 C 13 24.244 0.05 . 1 . . . . . . . . 5677 1 1313 . 1 1 128 128 LEU C C 13 177.493 0.05 . 1 . . . . . . . . 5677 1 1314 . 1 1 129 129 LEU N N 15 119.811 0.05 . 1 . . . . . . . . 5677 1 1315 . 1 1 129 129 LEU H H 1 7.858 0.02 . 1 . . . . . . . . 5677 1 1316 . 1 1 129 129 LEU CA C 13 58.208 0.05 . 1 . . . . . . . . 5677 1 1317 . 1 1 129 129 LEU HA H 1 4.042 0.02 . 1 . . . . . . . . 5677 1 1318 . 1 1 129 129 LEU CB C 13 41.619 0.05 . 1 . . . . . . . . 5677 1 1319 . 1 1 129 129 LEU CG C 13 26.503 0.05 . 1 . . . . . . . . 5677 1 1320 . 1 1 129 129 LEU CD1 C 13 23.964 0.05 . 1 . . . . . . . . 5677 1 1321 . 1 1 129 129 LEU CD2 C 13 23.964 0.05 . 1 . . . . . . . . 5677 1 1322 . 1 1 129 129 LEU C C 13 177.631 0.05 . 1 . . . . . . . . 5677 1 1323 . 1 1 130 130 ASP N N 15 118.638 0.05 . 1 . . . . . . . . 5677 1 1324 . 1 1 130 130 ASP H H 1 8.278 0.02 . 1 . . . . . . . . 5677 1 1325 . 1 1 130 130 ASP CA C 13 57.944 0.05 . 1 . . . . . . . . 5677 1 1326 . 1 1 130 130 ASP HA H 1 4.805 0.02 . 1 . . . . . . . . 5677 1 1327 . 1 1 130 130 ASP CB C 13 40.237 0.05 . 1 . . . . . . . . 5677 1 1328 . 1 1 130 130 ASP HB3 H 1 3.020 0.02 . 2 . . . . . . . . 5677 1 1329 . 1 1 130 130 ASP HB2 H 1 2.881 0.02 . 2 . . . . . . . . 5677 1 1330 . 1 1 130 130 ASP C C 13 179.180 0.05 . 1 . . . . . . . . 5677 1 1331 . 1 1 131 131 VAL N N 15 120.123 0.05 . 1 . . . . . . . . 5677 1 1332 . 1 1 131 131 VAL H H 1 8.218 0.02 . 1 . . . . . . . . 5677 1 1333 . 1 1 131 131 VAL CA C 13 66.449 0.05 . 1 . . . . . . . . 5677 1 1334 . 1 1 131 131 VAL HA H 1 3.883 0.02 . 1 . . . . . . . . 5677 1 1335 . 1 1 131 131 VAL CB C 13 31.900 0.05 . 1 . . . . . . . . 5677 1 1336 . 1 1 131 131 VAL HB H 1 2.400 0.02 . 1 . . . . . . . . 5677 1 1337 . 1 1 131 131 VAL CG2 C 13 22.814 0.05 . 1 . . . . . . . . 5677 1 1338 . 1 1 131 131 VAL HG21 H 1 1.205 0.02 . 2 . . . . . . . . 5677 1 1339 . 1 1 131 131 VAL HG22 H 1 1.205 0.02 . 2 . . . . . . . . 5677 1 1340 . 1 1 131 131 VAL HG23 H 1 1.205 0.02 . 2 . . . . . . . . 5677 1 1341 . 1 1 131 131 VAL CG1 C 13 22.308 0.05 . 1 . . . . . . . . 5677 1 1342 . 1 1 131 131 VAL HG11 H 1 1.048 0.02 . 2 . . . . . . . . 5677 1 1343 . 1 1 131 131 VAL HG12 H 1 1.048 0.02 . 2 . . . . . . . . 5677 1 1344 . 1 1 131 131 VAL HG13 H 1 1.048 0.02 . 2 . . . . . . . . 5677 1 1345 . 1 1 131 131 VAL C C 13 179.338 0.05 . 1 . . . . . . . . 5677 1 1346 . 1 1 132 132 ILE N N 15 122.308 0.05 . 1 . . . . . . . . 5677 1 1347 . 1 1 132 132 ILE H H 1 8.374 0.02 . 1 . . . . . . . . 5677 1 1348 . 1 1 132 132 ILE CA C 13 65.035 0.05 . 1 . . . . . . . . 5677 1 1349 . 1 1 132 132 ILE HA H 1 3.835 0.02 . 1 . . . . . . . . 5677 1 1350 . 1 1 132 132 ILE CB C 13 37.030 0.05 . 1 . . . . . . . . 5677 1 1351 . 1 1 132 132 ILE HB H 1 2.250 0.02 . 1 . . . . . . . . 5677 1 1352 . 1 1 132 132 ILE CG1 C 13 29.293 0.05 . 2 . . . . . . . . 5677 1 1353 . 1 1 132 132 ILE HG13 H 1 1.339 0.02 . 1 . . . . . . . . 5677 1 1354 . 1 1 132 132 ILE HG12 H 1 1.339 0.02 . 1 . . . . . . . . 5677 1 1355 . 1 1 132 132 ILE CD1 C 13 13.323 0.05 . 1 . . . . . . . . 5677 1 1356 . 1 1 132 132 ILE HD11 H 1 0.914 0.02 . 1 . . . . . . . . 5677 1 1357 . 1 1 132 132 ILE HD12 H 1 0.914 0.02 . 1 . . . . . . . . 5677 1 1358 . 1 1 132 132 ILE HD13 H 1 0.914 0.02 . 1 . . . . . . . . 5677 1 1359 . 1 1 132 132 ILE CG2 C 13 17.126 0.05 . 1 . . . . . . . . 5677 1 1360 . 1 1 132 132 ILE HG21 H 1 1.115 0.02 . 1 . . . . . . . . 5677 1 1361 . 1 1 132 132 ILE HG22 H 1 1.115 0.02 . 1 . . . . . . . . 5677 1 1362 . 1 1 132 132 ILE HG23 H 1 1.115 0.02 . 1 . . . . . . . . 5677 1 1363 . 1 1 132 132 ILE C C 13 177.757 0.05 . 1 . . . . . . . . 5677 1 1364 . 1 1 133 133 ASP N N 15 122.077 0.05 . 1 . . . . . . . . 5677 1 1365 . 1 1 133 133 ASP H H 1 9.341 0.02 . 1 . . . . . . . . 5677 1 1366 . 1 1 133 133 ASP CA C 13 57.969 0.05 . 1 . . . . . . . . 5677 1 1367 . 1 1 133 133 ASP HA H 1 4.586 0.02 . 1 . . . . . . . . 5677 1 1368 . 1 1 133 133 ASP CB C 13 40.328 0.05 . 1 . . . . . . . . 5677 1 1369 . 1 1 133 133 ASP HB3 H 1 3.091 0.02 . 2 . . . . . . . . 5677 1 1370 . 1 1 133 133 ASP HB2 H 1 2.770 0.02 . 2 . . . . . . . . 5677 1 1371 . 1 1 133 133 ASP C C 13 179.803 0.05 . 1 . . . . . . . . 5677 1 1372 . 1 1 134 134 GLN N N 15 118.289 0.05 . 1 . . . . . . . . 5677 1 1373 . 1 1 134 134 GLN H H 1 8.332 0.02 . 1 . . . . . . . . 5677 1 1374 . 1 1 134 134 GLN CA C 13 58.911 0.05 . 1 . . . . . . . . 5677 1 1375 . 1 1 134 134 GLN HA H 1 4.168 0.02 . 1 . . . . . . . . 5677 1 1376 . 1 1 134 134 GLN CB C 13 28.497 0.05 . 1 . . . . . . . . 5677 1 1377 . 1 1 134 134 GLN HB3 H 1 2.320 0.02 . 1 . . . . . . . . 5677 1 1378 . 1 1 134 134 GLN HB2 H 1 2.320 0.02 . 1 . . . . . . . . 5677 1 1379 . 1 1 134 134 GLN CG C 13 34.409 0.05 . 1 . . . . . . . . 5677 1 1380 . 1 1 134 134 GLN HG3 H 1 2.699 0.02 . 2 . . . . . . . . 5677 1 1381 . 1 1 134 134 GLN HG2 H 1 2.622 0.02 . 2 . . . . . . . . 5677 1 1382 . 1 1 134 134 GLN NE2 N 15 112.554 0.05 . 1 . . . . . . . . 5677 1 1383 . 1 1 134 134 GLN HE21 H 1 6.938 0.02 . 2 . . . . . . . . 5677 1 1384 . 1 1 134 134 GLN HE22 H 1 7.623 0.02 . 2 . . . . . . . . 5677 1 1385 . 1 1 134 134 GLN C C 13 178.843 0.05 . 1 . . . . . . . . 5677 1 1386 . 1 1 135 135 ALA N N 15 123.876 0.05 . 1 . . . . . . . . 5677 1 1387 . 1 1 135 135 ALA H H 1 8.254 0.02 . 1 . . . . . . . . 5677 1 1388 . 1 1 135 135 ALA CA C 13 55.247 0.05 . 1 . . . . . . . . 5677 1 1389 . 1 1 135 135 ALA HA H 1 4.259 0.02 . 1 . . . . . . . . 5677 1 1390 . 1 1 135 135 ALA CB C 13 18.974 0.05 . 1 . . . . . . . . 5677 1 1391 . 1 1 135 135 ALA HB1 H 1 1.823 0.02 . 1 . . . . . . . . 5677 1 1392 . 1 1 135 135 ALA HB2 H 1 1.823 0.02 . 1 . . . . . . . . 5677 1 1393 . 1 1 135 135 ALA HB3 H 1 1.823 0.02 . 1 . . . . . . . . 5677 1 1394 . 1 1 135 135 ALA C C 13 179.703 0.05 . 1 . . . . . . . . 5677 1 1395 . 1 1 136 136 ARG N N 15 117.810 0.05 . 1 . . . . . . . . 5677 1 1396 . 1 1 136 136 ARG H H 1 8.591 0.02 . 1 . . . . . . . . 5677 1 1397 . 1 1 136 136 ARG CA C 13 59.330 0.05 . 1 . . . . . . . . 5677 1 1398 . 1 1 136 136 ARG HA H 1 4.019 0.02 . 1 . . . . . . . . 5677 1 1399 . 1 1 136 136 ARG CB C 13 30.382 0.05 . 1 . . . . . . . . 5677 1 1400 . 1 1 136 136 ARG HB3 H 1 2.017 0.02 . 1 . . . . . . . . 5677 1 1401 . 1 1 136 136 ARG HB2 H 1 2.017 0.02 . 1 . . . . . . . . 5677 1 1402 . 1 1 136 136 ARG CG C 13 27.776 0.05 . 1 . . . . . . . . 5677 1 1403 . 1 1 136 136 ARG HG3 H 1 1.882 0.02 . 2 . . . . . . . . 5677 1 1404 . 1 1 136 136 ARG HG2 H 1 1.696 0.02 . 2 . . . . . . . . 5677 1 1405 . 1 1 136 136 ARG CD C 13 44.018 0.05 . 1 . . . . . . . . 5677 1 1406 . 1 1 136 136 ARG HD3 H 1 3.174 0.02 . 1 . . . . . . . . 5677 1 1407 . 1 1 136 136 ARG HD2 H 1 3.174 0.02 . 1 . . . . . . . . 5677 1 1408 . 1 1 137 137 LEU N N 15 119.423 0.05 . 1 . . . . . . . . 5677 1 1409 . 1 1 137 137 LEU H H 1 7.917 0.02 . 1 . . . . . . . . 5677 1 1410 . 1 1 137 137 LEU CA C 13 57.352 0.05 . 1 . . . . . . . . 5677 1 1411 . 1 1 137 137 LEU HA H 1 4.252 0.02 . 1 . . . . . . . . 5677 1 1412 . 1 1 137 137 LEU CB C 13 41.882 0.05 . 1 . . . . . . . . 5677 1 1413 . 1 1 137 137 LEU CG C 13 27.081 0.05 . 1 . . . . . . . . 5677 1 1414 . 1 1 137 137 LEU CD1 C 13 24.980 0.05 . 1 . . . . . . . . 5677 1 1415 . 1 1 137 137 LEU CD2 C 13 23.522 0.05 . 1 . . . . . . . . 5677 1 1416 . 1 1 138 138 LYS N N 15 119.423 0.05 . 1 . . . . . . . . 5677 1 1417 . 1 1 138 138 LYS H H 1 7.917 0.02 . 1 . . . . . . . . 5677 1 1418 . 1 1 138 138 LYS CA C 13 58.126 0.05 . 1 . . . . . . . . 5677 1 1419 . 1 1 138 138 LYS HA H 1 4.258 0.02 . 1 . . . . . . . . 5677 1 1420 . 1 1 138 138 LYS CB C 13 32.423 0.05 . 1 . . . . . . . . 5677 1 1421 . 1 1 138 138 LYS HB3 H 1 2.079 0.02 . 1 . . . . . . . . 5677 1 1422 . 1 1 138 138 LYS HB2 H 1 2.079 0.02 . 1 . . . . . . . . 5677 1 1423 . 1 1 138 138 LYS CG C 13 25.421 0.05 . 1 . . . . . . . . 5677 1 1424 . 1 1 138 138 LYS HG3 H 1 1.589 0.02 . 1 . . . . . . . . 5677 1 1425 . 1 1 138 138 LYS HG2 H 1 1.589 0.02 . 1 . . . . . . . . 5677 1 1426 . 1 1 138 138 LYS CD C 13 29.362 0.05 . 1 . . . . . . . . 5677 1 1427 . 1 1 138 138 LYS HD3 H 1 1.753 0.02 . 1 . . . . . . . . 5677 1 1428 . 1 1 138 138 LYS HD2 H 1 1.753 0.02 . 1 . . . . . . . . 5677 1 1429 . 1 1 138 138 LYS CE C 13 42.290 0.05 . 1 . . . . . . . . 5677 1 1430 . 1 1 138 138 LYS HE3 H 1 3.090 0.02 . 1 . . . . . . . . 5677 1 1431 . 1 1 138 138 LYS HE2 H 1 3.090 0.02 . 1 . . . . . . . . 5677 1 1432 . 1 1 138 138 LYS C C 13 178.102 0.05 . 1 . . . . . . . . 5677 1 1433 . 1 1 139 139 MET N N 15 118.509 0.05 . 1 . . . . . . . . 5677 1 1434 . 1 1 139 139 MET H H 1 7.937 0.02 . 1 . . . . . . . . 5677 1 1435 . 1 1 139 139 MET CA C 13 57.550 0.05 . 1 . . . . . . . . 5677 1 1436 . 1 1 139 139 MET HA H 1 4.411 0.02 . 1 . . . . . . . . 5677 1 1437 . 1 1 139 139 MET CB C 13 33.209 0.05 . 1 . . . . . . . . 5677 1 1438 . 1 1 139 139 MET HB3 H 1 2.471 0.02 . 2 . . . . . . . . 5677 1 1439 . 1 1 139 139 MET HB2 H 1 2.289 0.02 . 2 . . . . . . . . 5677 1 1440 . 1 1 139 139 MET CG C 13 32.079 0.05 . 1 . . . . . . . . 5677 1 1441 . 1 1 139 139 MET HG3 H 1 2.862 0.02 . 2 . . . . . . . . 5677 1 1442 . 1 1 139 139 MET HG2 H 1 2.748 0.02 . 2 . . . . . . . . 5677 1 1443 . 1 1 139 139 MET C C 13 177.628 0.05 . 1 . . . . . . . . 5677 1 1444 . 1 1 140 140 ILE N N 15 119.097 0.05 . 1 . . . . . . . . 5677 1 1445 . 1 1 140 140 ILE H H 1 8.012 0.02 . 1 . . . . . . . . 5677 1 1446 . 1 1 140 140 ILE CA C 13 62.837 0.05 . 1 . . . . . . . . 5677 1 1447 . 1 1 140 140 ILE HA H 1 4.223 0.02 . 1 . . . . . . . . 5677 1 1448 . 1 1 140 140 ILE CB C 13 38.653 0.05 . 1 . . . . . . . . 5677 1 1449 . 1 1 140 140 ILE HB H 1 2.108 0.02 . 1 . . . . . . . . 5677 1 1450 . 1 1 140 140 ILE CG1 C 13 27.910 0.05 . 2 . . . . . . . . 5677 1 1451 . 1 1 140 140 ILE HG13 H 1 1.717 0.02 . 1 . . . . . . . . 5677 1 1452 . 1 1 140 140 ILE HG12 H 1 1.396 0.02 . 1 . . . . . . . . 5677 1 1453 . 1 1 140 140 ILE CD1 C 13 13.393 0.05 . 1 . . . . . . . . 5677 1 1454 . 1 1 140 140 ILE HD11 H 1 1.003 0.02 . 1 . . . . . . . . 5677 1 1455 . 1 1 140 140 ILE HD12 H 1 1.003 0.02 . 1 . . . . . . . . 5677 1 1456 . 1 1 140 140 ILE HD13 H 1 1.003 0.02 . 1 . . . . . . . . 5677 1 1457 . 1 1 140 140 ILE CG2 C 13 17.540 0.05 . 1 . . . . . . . . 5677 1 1458 . 1 1 140 140 ILE HG21 H 1 1.072 0.02 . 1 . . . . . . . . 5677 1 1459 . 1 1 140 140 ILE HG22 H 1 1.072 0.02 . 1 . . . . . . . . 5677 1 1460 . 1 1 140 140 ILE HG23 H 1 1.072 0.02 . 1 . . . . . . . . 5677 1 1461 . 1 1 140 140 ILE C C 13 177.403 0.05 . 1 . . . . . . . . 5677 1 1462 . 1 1 141 141 SER N N 15 117.288 0.05 . 1 . . . . . . . . 5677 1 1463 . 1 1 141 141 SER H H 1 8.202 0.02 . 1 . . . . . . . . 5677 1 1464 . 1 1 141 141 SER CA C 13 59.539 0.05 . 1 . . . . . . . . 5677 1 1465 . 1 1 141 141 SER HA H 1 4.535 0.02 . 1 . . . . . . . . 5677 1 1466 . 1 1 141 141 SER CB C 13 63.727 0.05 . 1 . . . . . . . . 5677 1 1467 . 1 1 141 141 SER HB3 H 1 4.081 0.02 . 1 . . . . . . . . 5677 1 1468 . 1 1 141 141 SER HB2 H 1 4.081 0.02 . 1 . . . . . . . . 5677 1 1469 . 1 1 141 141 SER C C 13 175.207 0.05 . 1 . . . . . . . . 5677 1 1470 . 1 1 142 142 GLN N N 15 120.921 0.05 . 1 . . . . . . . . 5677 1 1471 . 1 1 142 142 GLN H H 1 8.213 0.02 . 1 . . . . . . . . 5677 1 1472 . 1 1 142 142 GLN CA C 13 56.293 0.05 . 1 . . . . . . . . 5677 1 1473 . 1 1 142 142 GLN HA H 1 4.516 0.02 . 1 . . . . . . . . 5677 1 1474 . 1 1 142 142 GLN CB C 13 29.387 0.05 . 1 . . . . . . . . 5677 1 1475 . 1 1 142 142 GLN HB3 H 1 2.184 0.02 . 2 . . . . . . . . 5677 1 1476 . 1 1 142 142 GLN HB2 H 1 2.321 0.02 . 2 . . . . . . . . 5677 1 1477 . 1 1 142 142 GLN CG C 13 34.132 0.05 . 1 . . . . . . . . 5677 1 1478 . 1 1 142 142 GLN HG3 H 1 2.573 0.02 . 1 . . . . . . . . 5677 1 1479 . 1 1 142 142 GLN HG2 H 1 2.573 0.02 . 1 . . . . . . . . 5677 1 1480 . 1 1 142 142 GLN NE2 N 15 111.726 0.05 . 1 . . . . . . . . 5677 1 1481 . 1 1 142 142 GLN HE21 H 1 6.933 0.02 . 2 . . . . . . . . 5677 1 1482 . 1 1 142 142 GLN HE22 H 1 7.623 0.02 . 2 . . . . . . . . 5677 1 1483 . 1 1 142 142 GLN C C 13 176.191 0.05 . 1 . . . . . . . . 5677 1 1484 . 1 1 143 143 SER N N 15 116.042 0.05 . 1 . . . . . . . . 5677 1 1485 . 1 1 143 143 SER H H 1 8.200 0.02 . 1 . . . . . . . . 5677 1 1486 . 1 1 143 143 SER CA C 13 58.603 0.05 . 1 . . . . . . . . 5677 1 1487 . 1 1 143 143 SER HA H 1 4.603 0.02 . 1 . . . . . . . . 5677 1 1488 . 1 1 143 143 SER CB C 13 63.935 0.05 . 1 . . . . . . . . 5677 1 1489 . 1 1 143 143 SER HB3 H 1 4.038 0.02 . 2 . . . . . . . . 5677 1 1490 . 1 1 143 143 SER C C 13 174.118 0.05 . 1 . . . . . . . . 5677 1 1491 . 1 1 144 144 ARG N N 15 123.511 0.05 . 1 . . . . . . . . 5677 1 1492 . 1 1 144 144 ARG H H 1 8.205 0.02 . 1 . . . . . . . . 5677 1 1493 . 1 1 144 144 ARG CA C 13 54.095 0.05 . 1 . . . . . . . . 5677 1 1494 . 1 1 144 144 ARG CB C 13 30.487 0.05 . 1 . . . . . . . . 5677 1 1495 . 1 1 145 145 PRO CA C 13 63.606 0.05 . 1 . . . . . . . . 5677 1 1496 . 1 1 145 145 PRO HA H 1 4.546 0.02 . 1 . . . . . . . . 5677 1 1497 . 1 1 145 145 PRO CB C 13 32.074 0.05 . 1 . . . . . . . . 5677 1 1498 . 1 1 145 145 PRO CG C 13 27.495 0.05 . 1 . . . . . . . . 5677 1 1499 . 1 1 145 145 PRO CD C 13 51.060 0.05 . 1 . . . . . . . . 5677 1 1500 . 1 1 145 145 PRO C C 13 176.235 0.05 . 1 . . . . . . . . 5677 1 1501 . 1 1 146 146 HIS N N 15 123.414 0.05 . 1 . . . . . . . . 5677 1 1502 . 1 1 146 146 HIS H H 1 8.091 0.02 . 1 . . . . . . . . 5677 1 1503 . 1 1 146 146 HIS CA C 13 57.131 0.05 . 1 . . . . . . . . 5677 1 1504 . 1 1 146 146 HIS CB C 13 30.120 0.05 . 1 . . . . . . . . 5677 1 1505 . 1 1 146 146 HIS CD2 C 13 119.522 0.05 . 1 . . . . . . . . 5677 1 1506 . 1 1 146 146 HIS HD2 H 1 7.425 0.02 . 3 . . . . . . . . 5677 1 stop_ save_