data_5266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5266 _Entry.Title ; 1H, 15N and 13C assignments of the focal adhesion targeting domain of focal adhesion kinase (FAT) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-01-28 _Entry.Accession_date 2002-01-28 _Entry.Last_release_date 2003-01-06 _Entry.Original_release_date 2003-01-06 _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 Gaohua Liu . . . 5266 2 Cristina Guibao . D . 5266 3 Jie Zheng . . . 5266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 125 5266 '13C chemical shifts' 270 5266 '15N chemical shifts' 125 5266 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 . . 2003-01-06 2002-01-28 original author . 5266 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5266 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22056595 _Citation.DOI . _Citation.PubMed_ID 12061723 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C Assignments of the Targeting (FAT) Domain of Focal Adhesion Kinase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 1 _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 75 _Citation.Page_last 76 _Citation.Year 2002 _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 Gaohua Liu . . . 5266 1 2 Cristina Guibao . D . 5266 1 3 Jie Zheng . . . 5266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FAT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FAT _Assembly.Entry_ID 5266 _Assembly.ID 1 _Assembly.Name 'FAT domain of Focal adhesion kinase (914-1053)' _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 5266 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 domain (914-1053)' 1 $FAT . . . native . . . . . 5266 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'FAT domain of Focal adhesion kinase (914-1053)' system 5266 1 FAT abbreviation 5266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAT _Entity.Sf_category entity _Entity.Sf_framecode FAT _Entity.Entry_ID 5266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Focal Adhesion Targeting domain of focal adhesion kinase (914-1053)' _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 ; MANLDRSNDKVYENVTGLVK AVIEMSSKIQPAPPEEYVPM VKEVGLALRTLLATVDESLP VLPASTHREIEMAQKLLNSD LAELINKMKLAQQYVMTSLQ QEYKKQMLTAAHALAVDAKN LLDVIDQARLKMISQSRPH ; _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 139 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The residues 2-139 of fat domain here are same as the residues 916-1053 of Focal adhesion kinase. ; _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 5677 . FAT . . . . . 96.40 146 100.00 100.00 1.47e-89 . . . . 5266 1 2 no BMRB 5924 . FAT . . . . . 96.40 134 100.00 100.00 1.30e-89 . . . . 5266 1 3 no PDB 1KTM . "Solution Structure Of Fat Domain Of Focal Adhesion Kinase" . . . . . 99.28 139 100.00 100.00 1.20e-92 . . . . 5266 1 4 no PDB 1PV3 . "Nmr Solution Structure Of The Avian Fat-Domain Of Focal Adhesion Kinase" . . . . . 96.40 146 100.00 100.00 1.47e-89 . . . . 5266 1 5 no PDB 1QVX . "Solution Structure Of The Fat Domain Of Focal Adhesion Kinase" . . . . . 96.40 134 100.00 100.00 1.30e-89 . . . . 5266 1 6 no PDB 2L6F . "Nmr Solution Structure Of Fat Domain Of Fak Complexed With Ld2 And Ld4 Motifs Of Paxillin" . . . . . 100.00 215 100.00 100.00 5.84e-95 . . . . 5266 1 7 no PDB 2L6G . "Fat-ld2 Double Labeled Construct With Free Ld4 Peptide" . . . . . 100.00 176 100.00 100.00 2.35e-93 . . . . 5266 1 8 no PDB 2L6H . "Fat Domain Of Focal Adhesion Kinase Tethered To Ld4 Motif Of Paxillin Via Ggs Linker" . . . . . 100.00 180 100.00 100.00 5.70e-95 . . . . 5266 1 9 no GB AAA48765 . "focal adhesion kinase [Gallus gallus]" . . . . . 99.28 1053 100.00 100.00 7.52e-84 . . . . 5266 1 10 no GB AAA48773 . "protein-tyrosine kinase [Gallus gallus]" . . . . . 99.28 359 99.28 99.28 2.60e-88 . . . . 5266 1 11 no GB EMC80181 . "Focal adhesion kinase 1, partial [Columba livia]" . . . . . 99.28 1043 99.28 100.00 2.69e-83 . . . . 5266 1 12 no GB EOA99770 . "Focal adhesion kinase 1, partial [Anas platyrhynchos]" . . . . . 99.28 1068 99.28 100.00 1.94e-83 . . . . 5266 1 13 no GB KFM11460 . "Focal adhesion kinase 1, partial [Aptenodytes forsteri]" . . . . . 99.28 1065 99.28 100.00 1.87e-83 . . . . 5266 1 14 no REF NP_990766 . "focal adhesion kinase 1 [Gallus gallus]" . . . . . 99.28 1053 100.00 100.00 7.52e-84 . . . . 5266 1 15 no REF XP_002191290 . "PREDICTED: focal adhesion kinase 1 isoform 1 [Taeniopygia guttata]" . . . . . 99.28 1051 97.83 99.28 1.30e-80 . . . . 5266 1 16 no REF XP_004174254 . "PREDICTED: focal adhesion kinase 1 isoform 2 [Taeniopygia guttata]" . . . . . 99.28 1054 97.83 99.28 1.30e-80 . . . . 5266 1 17 no REF XP_005021656 . "PREDICTED: focal adhesion kinase 1 isoform X1 [Anas platyrhynchos]" . . . . . 99.28 1099 99.28 100.00 2.64e-83 . . . . 5266 1 18 no REF XP_005021657 . "PREDICTED: focal adhesion kinase 1 isoform X2 [Anas platyrhynchos]" . . . . . 99.28 1096 99.28 100.00 2.46e-83 . . . . 5266 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" . . . . . 99.28 1053 100.00 100.00 7.52e-84 . . . . 5266 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 of focal adhesion kinase (914-1053)' common 5266 1 FAT abbreviation 5266 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 -1 MET . 5266 1 2 916 ALA . 5266 1 3 917 ASN . 5266 1 4 918 LEU . 5266 1 5 919 ASP . 5266 1 6 920 ARG . 5266 1 7 921 SER . 5266 1 8 922 ASN . 5266 1 9 923 ASP . 5266 1 10 924 LYS . 5266 1 11 925 VAL . 5266 1 12 926 TYR . 5266 1 13 927 GLU . 5266 1 14 928 ASN . 5266 1 15 929 VAL . 5266 1 16 930 THR . 5266 1 17 931 GLY . 5266 1 18 932 LEU . 5266 1 19 933 VAL . 5266 1 20 934 LYS . 5266 1 21 935 ALA . 5266 1 22 936 VAL . 5266 1 23 937 ILE . 5266 1 24 938 GLU . 5266 1 25 939 MET . 5266 1 26 940 SER . 5266 1 27 941 SER . 5266 1 28 942 LYS . 5266 1 29 943 ILE . 5266 1 30 944 GLN . 5266 1 31 945 PRO . 5266 1 32 946 ALA . 5266 1 33 947 PRO . 5266 1 34 948 PRO . 5266 1 35 949 GLU . 5266 1 36 950 GLU . 5266 1 37 951 TYR . 5266 1 38 952 VAL . 5266 1 39 953 PRO . 5266 1 40 954 MET . 5266 1 41 955 VAL . 5266 1 42 956 LYS . 5266 1 43 957 GLU . 5266 1 44 958 VAL . 5266 1 45 959 GLY . 5266 1 46 960 LEU . 5266 1 47 961 ALA . 5266 1 48 962 LEU . 5266 1 49 963 ARG . 5266 1 50 964 THR . 5266 1 51 965 LEU . 5266 1 52 966 LEU . 5266 1 53 967 ALA . 5266 1 54 968 THR . 5266 1 55 969 VAL . 5266 1 56 970 ASP . 5266 1 57 971 GLU . 5266 1 58 972 SER . 5266 1 59 973 LEU . 5266 1 60 974 PRO . 5266 1 61 975 VAL . 5266 1 62 976 LEU . 5266 1 63 977 PRO . 5266 1 64 978 ALA . 5266 1 65 979 SER . 5266 1 66 980 THR . 5266 1 67 981 HIS . 5266 1 68 982 ARG . 5266 1 69 983 GLU . 5266 1 70 984 ILE . 5266 1 71 985 GLU . 5266 1 72 986 MET . 5266 1 73 987 ALA . 5266 1 74 988 GLN . 5266 1 75 989 LYS . 5266 1 76 990 LEU . 5266 1 77 991 LEU . 5266 1 78 992 ASN . 5266 1 79 993 SER . 5266 1 80 994 ASP . 5266 1 81 995 LEU . 5266 1 82 996 ALA . 5266 1 83 997 GLU . 5266 1 84 998 LEU . 5266 1 85 999 ILE . 5266 1 86 1000 ASN . 5266 1 87 1001 LYS . 5266 1 88 1002 MET . 5266 1 89 1003 LYS . 5266 1 90 1004 LEU . 5266 1 91 1005 ALA . 5266 1 92 1006 GLN . 5266 1 93 1007 GLN . 5266 1 94 1008 TYR . 5266 1 95 1009 VAL . 5266 1 96 1010 MET . 5266 1 97 1011 THR . 5266 1 98 1012 SER . 5266 1 99 1013 LEU . 5266 1 100 1014 GLN . 5266 1 101 1015 GLN . 5266 1 102 1016 GLU . 5266 1 103 1017 TYR . 5266 1 104 1018 LYS . 5266 1 105 1019 LYS . 5266 1 106 1020 GLN . 5266 1 107 1021 MET . 5266 1 108 1022 LEU . 5266 1 109 1023 THR . 5266 1 110 1024 ALA . 5266 1 111 1025 ALA . 5266 1 112 1026 HIS . 5266 1 113 1027 ALA . 5266 1 114 1028 LEU . 5266 1 115 1029 ALA . 5266 1 116 1030 VAL . 5266 1 117 1031 ASP . 5266 1 118 1032 ALA . 5266 1 119 1033 LYS . 5266 1 120 1034 ASN . 5266 1 121 1035 LEU . 5266 1 122 1036 LEU . 5266 1 123 1037 ASP . 5266 1 124 1038 VAL . 5266 1 125 1039 ILE . 5266 1 126 1040 ASP . 5266 1 127 1041 GLN . 5266 1 128 1042 ALA . 5266 1 129 1043 ARG . 5266 1 130 1044 LEU . 5266 1 131 1045 LYS . 5266 1 132 1046 MET . 5266 1 133 1047 ILE . 5266 1 134 1048 SER . 5266 1 135 1049 GLN . 5266 1 136 1050 SER . 5266 1 137 1051 ARG . 5266 1 138 1052 PRO . 5266 1 139 1053 HIS . 5266 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5266 1 . ALA 2 2 5266 1 . ASN 3 3 5266 1 . LEU 4 4 5266 1 . ASP 5 5 5266 1 . ARG 6 6 5266 1 . SER 7 7 5266 1 . ASN 8 8 5266 1 . ASP 9 9 5266 1 . LYS 10 10 5266 1 . VAL 11 11 5266 1 . TYR 12 12 5266 1 . GLU 13 13 5266 1 . ASN 14 14 5266 1 . VAL 15 15 5266 1 . THR 16 16 5266 1 . GLY 17 17 5266 1 . LEU 18 18 5266 1 . VAL 19 19 5266 1 . LYS 20 20 5266 1 . ALA 21 21 5266 1 . VAL 22 22 5266 1 . ILE 23 23 5266 1 . GLU 24 24 5266 1 . MET 25 25 5266 1 . SER 26 26 5266 1 . SER 27 27 5266 1 . LYS 28 28 5266 1 . ILE 29 29 5266 1 . GLN 30 30 5266 1 . PRO 31 31 5266 1 . ALA 32 32 5266 1 . PRO 33 33 5266 1 . PRO 34 34 5266 1 . GLU 35 35 5266 1 . GLU 36 36 5266 1 . TYR 37 37 5266 1 . VAL 38 38 5266 1 . PRO 39 39 5266 1 . MET 40 40 5266 1 . VAL 41 41 5266 1 . LYS 42 42 5266 1 . GLU 43 43 5266 1 . VAL 44 44 5266 1 . GLY 45 45 5266 1 . LEU 46 46 5266 1 . ALA 47 47 5266 1 . LEU 48 48 5266 1 . ARG 49 49 5266 1 . THR 50 50 5266 1 . LEU 51 51 5266 1 . LEU 52 52 5266 1 . ALA 53 53 5266 1 . THR 54 54 5266 1 . VAL 55 55 5266 1 . ASP 56 56 5266 1 . GLU 57 57 5266 1 . SER 58 58 5266 1 . LEU 59 59 5266 1 . PRO 60 60 5266 1 . VAL 61 61 5266 1 . LEU 62 62 5266 1 . PRO 63 63 5266 1 . ALA 64 64 5266 1 . SER 65 65 5266 1 . THR 66 66 5266 1 . HIS 67 67 5266 1 . ARG 68 68 5266 1 . GLU 69 69 5266 1 . ILE 70 70 5266 1 . GLU 71 71 5266 1 . MET 72 72 5266 1 . ALA 73 73 5266 1 . GLN 74 74 5266 1 . LYS 75 75 5266 1 . LEU 76 76 5266 1 . LEU 77 77 5266 1 . ASN 78 78 5266 1 . SER 79 79 5266 1 . ASP 80 80 5266 1 . LEU 81 81 5266 1 . ALA 82 82 5266 1 . GLU 83 83 5266 1 . LEU 84 84 5266 1 . ILE 85 85 5266 1 . ASN 86 86 5266 1 . LYS 87 87 5266 1 . MET 88 88 5266 1 . LYS 89 89 5266 1 . LEU 90 90 5266 1 . ALA 91 91 5266 1 . GLN 92 92 5266 1 . GLN 93 93 5266 1 . TYR 94 94 5266 1 . VAL 95 95 5266 1 . MET 96 96 5266 1 . THR 97 97 5266 1 . SER 98 98 5266 1 . LEU 99 99 5266 1 . GLN 100 100 5266 1 . GLN 101 101 5266 1 . GLU 102 102 5266 1 . TYR 103 103 5266 1 . LYS 104 104 5266 1 . LYS 105 105 5266 1 . GLN 106 106 5266 1 . MET 107 107 5266 1 . LEU 108 108 5266 1 . THR 109 109 5266 1 . ALA 110 110 5266 1 . ALA 111 111 5266 1 . HIS 112 112 5266 1 . ALA 113 113 5266 1 . LEU 114 114 5266 1 . ALA 115 115 5266 1 . VAL 116 116 5266 1 . ASP 117 117 5266 1 . ALA 118 118 5266 1 . LYS 119 119 5266 1 . ASN 120 120 5266 1 . LEU 121 121 5266 1 . LEU 122 122 5266 1 . ASP 123 123 5266 1 . VAL 124 124 5266 1 . ILE 125 125 5266 1 . ASP 126 126 5266 1 . GLN 127 127 5266 1 . ALA 128 128 5266 1 . ARG 129 129 5266 1 . LEU 130 130 5266 1 . LYS 131 131 5266 1 . MET 132 132 5266 1 . ILE 133 133 5266 1 . SER 134 134 5266 1 . GLN 135 135 5266 1 . SER 136 136 5266 1 . ARG 137 137 5266 1 . PRO 138 138 5266 1 . HIS 139 139 5266 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 5266 _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 . . . . . . . . . . . . . . . . . . . . . 5266 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 5266 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5266 _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 of focal adhesion kinase (914-1053)' [U-15N] . . 1 $FAT . . 1.0 . . mL . . . . 5266 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5266 _Sample.ID 2 _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 of focal adhesion kinase (914-1053)' '[U-13C; U-15N]' . . 1 $FAT . . 2.0 . . mL . . . . 5266 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5266 _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 6.2 0.2 na 5266 1 temperature 310 1 K 5266 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5266 _Software.ID 1 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5266 _NMR_spectrometer.ID 1 _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 5266 _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 Varian INOVA . 600 . . . 5266 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 5266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HAQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 2 '1H-15N NOESYHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 3 '1H-15N TOCSYHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 6 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 7 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 8 '3D C13-edit NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 9 '3D HCCHTOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 10 '3D HCCHCOSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 11 '4D 15N-C13 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 12 '4D C13-C13 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5266 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HAQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N NOESYHSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N TOCSYHSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D C13-edit NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCHTOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCHCOSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '4D 15N-C13 NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5266 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '4D C13-C13 NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.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 5266 _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 0.0 internal direct 1.000000000 . . . . . . . . . 5266 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5266 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . . . . . . . 5266 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5266 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 5266 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5266 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _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 '1H-15N HAQC' . . . 5266 1 2 '1H-15N NOESYHSQC' . . . 5266 1 3 '1H-15N TOCSYHSQC' . . . 5266 1 4 HNCA . . . 5266 1 5 HNCACB . . . 5266 1 6 CBCACONH . . . 5266 1 7 HN(CO)CA . . . 5266 1 8 '3D C13-edit NOESY' . . . 5266 1 9 '3D HCCHTOCSY' . . . 5266 1 10 '3D HCCHCOSY' . . . 5266 1 11 '4D 15N-C13 NOESY' . . . 5266 1 12 '4D C13-C13 NOESY' . . . 5266 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 MET CA C 13 55.458 0.08 . . . . . . . . . . 5266 1 2 . 1 1 2 2 ALA N N 15 123.283 0.08 . . . . . . . . . . 5266 1 3 . 1 1 2 2 ALA H H 1 8.345 0.01 . . . . . . . . . . 5266 1 4 . 1 1 2 2 ALA CA C 13 52.659 0.08 . . . . . . . . . . 5266 1 5 . 1 1 2 2 ALA CB C 13 19.409 0.08 . . . . . . . . . . 5266 1 6 . 1 1 3 3 ASN N N 15 115.861 0.08 . . . . . . . . . . 5266 1 7 . 1 1 3 3 ASN H H 1 8.349 0.01 . . . . . . . . . . 5266 1 8 . 1 1 3 3 ASN CA C 13 52.918 0.08 . . . . . . . . . . 5266 1 9 . 1 1 3 3 ASN CB C 13 38.900 0.08 . . . . . . . . . . 5266 1 10 . 1 1 4 4 LEU N N 15 120.723 0.08 . . . . . . . . . . 5266 1 11 . 1 1 4 4 LEU H H 1 7.954 0.01 . . . . . . . . . . 5266 1 12 . 1 1 4 4 LEU CA C 13 54.801 0.08 . . . . . . . . . . 5266 1 13 . 1 1 4 4 LEU CB C 13 42.323 0.08 . . . . . . . . . . 5266 1 14 . 1 1 5 5 ASP N N 15 120.010 0.08 . . . . . . . . . . 5266 1 15 . 1 1 5 5 ASP H H 1 8.394 0.01 . . . . . . . . . . 5266 1 16 . 1 1 5 5 ASP CA C 13 54.318 0.08 . . . . . . . . . . 5266 1 17 . 1 1 5 5 ASP CB C 13 41.374 0.08 . . . . . . . . . . 5266 1 18 . 1 1 6 6 ARG CA C 13 54.291 0.08 . . . . . . . . . . 5266 1 19 . 1 1 7 7 SER N N 15 116.511 0.08 . . . . . . . . . . 5266 1 20 . 1 1 7 7 SER H H 1 8.550 0.01 . . . . . . . . . . 5266 1 21 . 1 1 7 7 SER CA C 13 61.283 0.08 . . . . . . . . . . 5266 1 22 . 1 1 7 7 SER CB C 13 63.068 0.08 . . . . . . . . . . 5266 1 23 . 1 1 8 8 ASN N N 15 118.164 0.08 . . . . . . . . . . 5266 1 24 . 1 1 8 8 ASN H H 1 8.567 0.01 . . . . . . . . . . 5266 1 25 . 1 1 8 8 ASN CA C 13 52.983 0.08 . . . . . . . . . . 5266 1 26 . 1 1 8 8 ASN CB C 13 38.740 0.08 . . . . . . . . . . 5266 1 27 . 1 1 9 9 ASP N N 15 117.548 0.08 . . . . . . . . . . 5266 1 28 . 1 1 9 9 ASP H H 1 7.590 0.01 . . . . . . . . . . 5266 1 29 . 1 1 9 9 ASP CA C 13 52.915 0.08 . . . . . . . . . . 5266 1 30 . 1 1 9 9 ASP CB C 13 41.739 0.08 . . . . . . . . . . 5266 1 31 . 1 1 10 10 LYS N N 15 124.935 0.08 . . . . . . . . . . 5266 1 32 . 1 1 10 10 LYS H H 1 8.665 0.01 . . . . . . . . . . 5266 1 33 . 1 1 10 10 LYS CA C 13 58.158 0.08 . . . . . . . . . . 5266 1 34 . 1 1 10 10 LYS CB C 13 32.494 0.08 . . . . . . . . . . 5266 1 35 . 1 1 11 11 VAL N N 15 117.451 0.08 . . . . . . . . . . 5266 1 36 . 1 1 11 11 VAL H H 1 7.998 0.01 . . . . . . . . . . 5266 1 37 . 1 1 11 11 VAL CA C 13 67.155 0.08 . . . . . . . . . . 5266 1 38 . 1 1 11 11 VAL CB C 13 31.063 0.08 . . . . . . . . . . 5266 1 39 . 1 1 12 12 TYR N N 15 119.298 0.08 . . . . . . . . . . 5266 1 40 . 1 1 12 12 TYR H H 1 8.051 0.01 . . . . . . . . . . 5266 1 41 . 1 1 12 12 TYR CA C 13 62.257 0.08 . . . . . . . . . . 5266 1 42 . 1 1 12 12 TYR CB C 13 38.740 0.08 . . . . . . . . . . 5266 1 43 . 1 1 13 13 GLU N N 15 118.628 0.08 . . . . . . . . . . 5266 1 44 . 1 1 13 13 GLU H H 1 8.506 0.01 . . . . . . . . . . 5266 1 45 . 1 1 13 13 GLU CA C 13 59.742 0.08 . . . . . . . . . . 5266 1 46 . 1 1 13 13 GLU CB C 13 29.884 0.08 . . . . . . . . . . 5266 1 47 . 1 1 14 14 ASN N N 15 115.896 0.08 . . . . . . . . . . 5266 1 48 . 1 1 14 14 ASN H H 1 8.413 0.01 . . . . . . . . . . 5266 1 49 . 1 1 14 14 ASN CA C 13 55.601 0.08 . . . . . . . . . . 5266 1 50 . 1 1 14 14 ASN CB C 13 39.376 0.08 . . . . . . . . . . 5266 1 51 . 1 1 15 15 VAL N N 15 124.255 0.08 . . . . . . . . . . 5266 1 52 . 1 1 15 15 VAL H H 1 9.076 0.01 . . . . . . . . . . 5266 1 53 . 1 1 15 15 VAL CA C 13 67.903 0.08 . . . . . . . . . . 5266 1 54 . 1 1 15 15 VAL CB C 13 31.158 0.08 . . . . . . . . . . 5266 1 55 . 1 1 16 16 THR N N 15 113.433 0.08 . . . . . . . . . . 5266 1 56 . 1 1 16 16 THR H H 1 8.388 0.01 . . . . . . . . . . 5266 1 57 . 1 1 16 16 THR CA C 13 67.652 0.08 . . . . . . . . . . 5266 1 58 . 1 1 16 16 THR CB C 13 67.949 0.08 . . . . . . . . . . 5266 1 59 . 1 1 17 17 GLY N N 15 106.241 0.08 . . . . . . . . . . 5266 1 60 . 1 1 17 17 GLY H H 1 8.382 0.01 . . . . . . . . . . 5266 1 61 . 1 1 17 17 GLY CA C 13 47.239 0.08 . . . . . . . . . . 5266 1 62 . 1 1 18 18 LEU N N 15 122.538 0.08 . . . . . . . . . . 5266 1 63 . 1 1 18 18 LEU H H 1 7.788 0.01 . . . . . . . . . . 5266 1 64 . 1 1 18 18 LEU CA C 13 57.991 0.08 . . . . . . . . . . 5266 1 65 . 1 1 18 18 LEU CB C 13 41.809 0.08 . . . . . . . . . . 5266 1 66 . 1 1 19 19 VAL N N 15 118.520 0.08 . . . . . . . . . . 5266 1 67 . 1 1 19 19 VAL H H 1 8.496 0.01 . . . . . . . . . . 5266 1 68 . 1 1 19 19 VAL CA C 13 68.010 0.08 . . . . . . . . . . 5266 1 69 . 1 1 19 19 VAL CB C 13 30.880 0.08 . . . . . . . . . . 5266 1 70 . 1 1 20 20 LYS N N 15 117.483 0.08 . . . . . . . . . . 5266 1 71 . 1 1 20 20 LYS H H 1 8.766 0.01 . . . . . . . . . . 5266 1 72 . 1 1 20 20 LYS CA C 13 60.749 0.08 . . . . . . . . . . 5266 1 73 . 1 1 20 20 LYS CB C 13 32.082 0.08 . . . . . . . . . . 5266 1 74 . 1 1 21 21 ALA N N 15 120.529 0.08 . . . . . . . . . . 5266 1 75 . 1 1 21 21 ALA H H 1 7.992 0.01 . . . . . . . . . . 5266 1 76 . 1 1 21 21 ALA CA C 13 55.193 0.08 . . . . . . . . . . 5266 1 77 . 1 1 21 21 ALA CB C 13 17.063 0.08 . . . . . . . . . . 5266 1 78 . 1 1 22 22 VAL N N 15 118.747 0.08 . . . . . . . . . . 5266 1 79 . 1 1 22 22 VAL H H 1 8.489 0.01 . . . . . . . . . . 5266 1 80 . 1 1 22 22 VAL CA C 13 67.488 0.08 . . . . . . . . . . 5266 1 81 . 1 1 22 22 VAL CB C 13 31.304 0.08 . . . . . . . . . . 5266 1 82 . 1 1 23 23 ILE N N 15 124.644 0.08 . . . . . . . . . . 5266 1 83 . 1 1 23 23 ILE H H 1 8.882 0.01 . . . . . . . . . . 5266 1 84 . 1 1 23 23 ILE CA C 13 66.479 0.08 . . . . . . . . . . 5266 1 85 . 1 1 23 23 ILE CB C 13 38.163 0.08 . . . . . . . . . . 5266 1 86 . 1 1 24 24 GLU N N 15 119.524 0.08 . . . . . . . . . . 5266 1 87 . 1 1 24 24 GLU H H 1 8.436 0.01 . . . . . . . . . . 5266 1 88 . 1 1 24 24 GLU CA C 13 59.681 0.08 . . . . . . . . . . 5266 1 89 . 1 1 24 24 GLU CB C 13 29.170 0.08 . . . . . . . . . . 5266 1 90 . 1 1 25 25 MET N N 15 116.900 0.08 . . . . . . . . . . 5266 1 91 . 1 1 25 25 MET H H 1 8.215 0.01 . . . . . . . . . . 5266 1 92 . 1 1 25 25 MET CA C 13 59.375 0.08 . . . . . . . . . . 5266 1 93 . 1 1 25 25 MET CB C 13 33.369 0.08 . . . . . . . . . . 5266 1 94 . 1 1 26 26 SER N N 15 112.008 0.08 . . . . . . . . . . 5266 1 95 . 1 1 26 26 SER H H 1 8.559 0.01 . . . . . . . . . . 5266 1 96 . 1 1 26 26 SER CA C 13 62.778 0.08 . . . . . . . . . . 5266 1 97 . 1 1 26 26 SER CB C 13 62.676 0.08 . . . . . . . . . . 5266 1 98 . 1 1 27 27 SER N N 15 113.433 0.08 . . . . . . . . . . 5266 1 99 . 1 1 27 27 SER H H 1 8.060 0.01 . . . . . . . . . . 5266 1 100 . 1 1 27 27 SER CA C 13 60.603 0.08 . . . . . . . . . . 5266 1 101 . 1 1 27 27 SER CB C 13 63.555 0.08 . . . . . . . . . . 5266 1 102 . 1 1 28 28 LYS N N 15 118.228 0.08 . . . . . . . . . . 5266 1 103 . 1 1 28 28 LYS H H 1 7.905 0.01 . . . . . . . . . . 5266 1 104 . 1 1 28 28 LYS CA C 13 57.654 0.08 . . . . . . . . . . 5266 1 105 . 1 1 28 28 LYS CB C 13 34.051 0.08 . . . . . . . . . . 5266 1 106 . 1 1 29 29 ILE N N 15 115.280 0.08 . . . . . . . . . . 5266 1 107 . 1 1 29 29 ILE H H 1 8.019 0.01 . . . . . . . . . . 5266 1 108 . 1 1 29 29 ILE CA C 13 64.048 0.08 . . . . . . . . . . 5266 1 109 . 1 1 29 29 ILE CB C 13 38.528 0.08 . . . . . . . . . . 5266 1 110 . 1 1 30 30 GLN N N 15 118.131 0.08 . . . . . . . . . . 5266 1 111 . 1 1 30 30 GLN H H 1 8.209 0.01 . . . . . . . . . . 5266 1 112 . 1 1 30 30 GLN CA C 13 61.957 0.08 . . . . . . . . . . 5266 1 113 . 1 1 30 30 GLN CB C 13 25.685 0.08 . . . . . . . . . . 5266 1 114 . 1 1 31 31 PRO CA C 13 63.777 0.08 . . . . . . . . . . 5266 1 115 . 1 1 31 31 PRO CB C 13 31.507 0.08 . . . . . . . . . . 5266 1 116 . 1 1 32 32 ALA N N 15 121.468 0.08 . . . . . . . . . . 5266 1 117 . 1 1 32 32 ALA H H 1 7.111 0.01 . . . . . . . . . . 5266 1 118 . 1 1 32 32 ALA CA C 13 51.242 0.08 . . . . . . . . . . 5266 1 119 . 1 1 32 32 ALA CB C 13 19.409 0.08 . . . . . . . . . . 5266 1 120 . 1 1 33 33 PRO CA C 13 60.939 0.08 . . . . . . . . . . 5266 1 121 . 1 1 33 33 PRO CB C 13 30.933 0.08 . . . . . . . . . . 5266 1 122 . 1 1 34 34 PRO CA C 13 63.996 0.08 . . . . . . . . . . 5266 1 123 . 1 1 34 34 PRO CB C 13 31.743 0.08 . . . . . . . . . . 5266 1 124 . 1 1 35 35 GLU N N 15 115.863 0.08 . . . . . . . . . . 5266 1 125 . 1 1 35 35 GLU H H 1 9.480 0.01 . . . . . . . . . . 5266 1 126 . 1 1 35 35 GLU CA C 13 59.396 0.08 . . . . . . . . . . 5266 1 127 . 1 1 35 35 GLU CB C 13 28.415 0.08 . . . . . . . . . . 5266 1 128 . 1 1 36 36 GLU N N 15 115.701 0.08 . . . . . . . . . . 5266 1 129 . 1 1 36 36 GLU H H 1 8.070 0.01 . . . . . . . . . . 5266 1 130 . 1 1 36 36 GLU CA C 13 56.524 0.08 . . . . . . . . . . 5266 1 131 . 1 1 36 36 GLU CB C 13 30.528 0.08 . . . . . . . . . . 5266 1 132 . 1 1 37 37 TYR N N 15 115.961 0.08 . . . . . . . . . . 5266 1 133 . 1 1 37 37 TYR H H 1 7.879 0.01 . . . . . . . . . . 5266 1 134 . 1 1 37 37 TYR CA C 13 58.565 0.08 . . . . . . . . . . 5266 1 135 . 1 1 37 37 TYR CB C 13 37.755 0.08 . . . . . . . . . . 5266 1 136 . 1 1 38 38 VAL N N 15 117.451 0.08 . . . . . . . . . . 5266 1 137 . 1 1 38 38 VAL H H 1 8.336 0.01 . . . . . . . . . . 5266 1 138 . 1 1 38 38 VAL CA C 13 68.905 0.08 . . . . . . . . . . 5266 1 139 . 1 1 38 38 VAL CB C 13 29.115 0.08 . . . . . . . . . . 5266 1 140 . 1 1 39 39 PRO CA C 13 66.039 0.08 . . . . . . . . . . 5266 1 141 . 1 1 39 39 PRO CB C 13 30.958 0.08 . . . . . . . . . . 5266 1 142 . 1 1 40 40 MET N N 15 113.142 0.08 . . . . . . . . . . 5266 1 143 . 1 1 40 40 MET H H 1 7.244 0.01 . . . . . . . . . . 5266 1 144 . 1 1 40 40 MET CA C 13 59.299 0.08 . . . . . . . . . . 5266 1 145 . 1 1 40 40 MET CB C 13 32.949 0.08 . . . . . . . . . . 5266 1 146 . 1 1 41 41 VAL N N 15 119.557 0.08 . . . . . . . . . . 5266 1 147 . 1 1 41 41 VAL H H 1 8.288 0.01 . . . . . . . . . . 5266 1 148 . 1 1 41 41 VAL CA C 13 66.389 0.08 . . . . . . . . . . 5266 1 149 . 1 1 41 41 VAL CB C 13 31.173 0.08 . . . . . . . . . . 5266 1 150 . 1 1 42 42 LYS N N 15 119.816 0.08 . . . . . . . . . . 5266 1 151 . 1 1 42 42 LYS H H 1 8.908 0.01 . . . . . . . . . . 5266 1 152 . 1 1 42 42 LYS CA C 13 60.574 0.08 . . . . . . . . . . 5266 1 153 . 1 1 42 42 LYS CB C 13 32.082 0.08 . . . . . . . . . . 5266 1 154 . 1 1 43 43 GLU N N 15 115.313 0.08 . . . . . . . . . . 5266 1 155 . 1 1 43 43 GLU H H 1 7.648 0.01 . . . . . . . . . . 5266 1 156 . 1 1 43 43 GLU CA C 13 59.914 0.08 . . . . . . . . . . 5266 1 157 . 1 1 43 43 GLU CB C 13 29.473 0.08 . . . . . . . . . . 5266 1 158 . 1 1 44 44 VAL N N 15 118.552 0.08 . . . . . . . . . . 5266 1 159 . 1 1 44 44 VAL H H 1 7.345 0.01 . . . . . . . . . . 5266 1 160 . 1 1 44 44 VAL CA C 13 66.784 0.08 . . . . . . . . . . 5266 1 161 . 1 1 44 44 VAL CB C 13 31.523 0.08 . . . . . . . . . . 5266 1 162 . 1 1 45 45 GLY N N 15 105.269 0.08 . . . . . . . . . . 5266 1 163 . 1 1 45 45 GLY H H 1 8.743 0.01 . . . . . . . . . . 5266 1 164 . 1 1 45 45 GLY CA C 13 48.044 0.08 . . . . . . . . . . 5266 1 165 . 1 1 46 46 LEU N N 15 120.399 0.08 . . . . . . . . . . 5266 1 166 . 1 1 46 46 LEU H H 1 8.856 0.01 . . . . . . . . . . 5266 1 167 . 1 1 46 46 LEU CA C 13 57.890 0.08 . . . . . . . . . . 5266 1 168 . 1 1 46 46 LEU CB C 13 41.309 0.08 . . . . . . . . . . 5266 1 169 . 1 1 47 47 ALA N N 15 121.695 0.08 . . . . . . . . . . 5266 1 170 . 1 1 47 47 ALA H H 1 7.861 0.01 . . . . . . . . . . 5266 1 171 . 1 1 47 47 ALA CA C 13 54.783 0.08 . . . . . . . . . . 5266 1 172 . 1 1 47 47 ALA CB C 13 17.176 0.08 . . . . . . . . . . 5266 1 173 . 1 1 48 48 LEU N N 15 119.978 0.08 . . . . . . . . . . 5266 1 174 . 1 1 48 48 LEU H H 1 8.599 0.01 . . . . . . . . . . 5266 1 175 . 1 1 48 48 LEU CA C 13 57.534 0.08 . . . . . . . . . . 5266 1 176 . 1 1 48 48 LEU CB C 13 40.681 0.08 . . . . . . . . . . 5266 1 177 . 1 1 49 49 ARG N N 15 121.274 0.08 . . . . . . . . . . 5266 1 178 . 1 1 49 49 ARG H H 1 8.654 0.01 . . . . . . . . . . 5266 1 179 . 1 1 49 49 ARG CA C 13 60.891 0.08 . . . . . . . . . . 5266 1 180 . 1 1 49 49 ARG CB C 13 29.736 0.08 . . . . . . . . . . 5266 1 181 . 1 1 50 50 THR N N 15 113.207 0.08 . . . . . . . . . . 5266 1 182 . 1 1 50 50 THR H H 1 8.109 0.01 . . . . . . . . . . 5266 1 183 . 1 1 50 50 THR CA C 13 66.503 0.08 . . . . . . . . . . 5266 1 184 . 1 1 50 50 THR CB C 13 68.807 0.08 . . . . . . . . . . 5266 1 185 . 1 1 51 51 LEU N N 15 119.492 0.08 . . . . . . . . . . 5266 1 186 . 1 1 51 51 LEU H H 1 7.446 0.01 . . . . . . . . . . 5266 1 187 . 1 1 51 51 LEU CA C 13 58.194 0.08 . . . . . . . . . . 5266 1 188 . 1 1 51 51 LEU CB C 13 40.877 0.08 . . . . . . . . . . 5266 1 189 . 1 1 52 52 LEU N N 15 116.868 0.08 . . . . . . . . . . 5266 1 190 . 1 1 52 52 LEU H H 1 9.031 0.01 . . . . . . . . . . 5266 1 191 . 1 1 52 52 LEU CA C 13 59.211 0.08 . . . . . . . . . . 5266 1 192 . 1 1 52 52 LEU CB C 13 40.791 0.08 . . . . . . . . . . 5266 1 193 . 1 1 53 53 ALA N N 15 119.946 0.08 . . . . . . . . . . 5266 1 194 . 1 1 53 53 ALA H H 1 8.592 0.01 . . . . . . . . . . 5266 1 195 . 1 1 53 53 ALA CA C 13 55.603 0.08 . . . . . . . . . . 5266 1 196 . 1 1 53 53 ALA CB C 13 17.788 0.08 . . . . . . . . . . 5266 1 197 . 1 1 54 54 THR N N 15 115.475 0.08 . . . . . . . . . . 5266 1 198 . 1 1 54 54 THR H H 1 8.199 0.01 . . . . . . . . . . 5266 1 199 . 1 1 54 54 THR CA C 13 66.160 0.08 . . . . . . . . . . 5266 1 200 . 1 1 54 54 THR CB C 13 68.546 0.08 . . . . . . . . . . 5266 1 201 . 1 1 55 55 VAL N N 15 122.505 0.08 . . . . . . . . . . 5266 1 202 . 1 1 55 55 VAL H H 1 8.515 0.01 . . . . . . . . . . 5266 1 203 . 1 1 55 55 VAL CA C 13 67.687 0.08 . . . . . . . . . . 5266 1 204 . 1 1 55 55 VAL CB C 13 31.325 0.08 . . . . . . . . . . 5266 1 205 . 1 1 56 56 ASP N N 15 119.881 0.08 . . . . . . . . . . 5266 1 206 . 1 1 56 56 ASP H H 1 8.535 0.01 . . . . . . . . . . 5266 1 207 . 1 1 56 56 ASP CA C 13 58.032 0.08 . . . . . . . . . . 5266 1 208 . 1 1 56 56 ASP CB C 13 40.367 0.08 . . . . . . . . . . 5266 1 209 . 1 1 57 57 GLU N N 15 115.410 0.08 . . . . . . . . . . 5266 1 210 . 1 1 57 57 GLU H H 1 7.836 0.01 . . . . . . . . . . 5266 1 211 . 1 1 57 57 GLU CA C 13 58.275 0.08 . . . . . . . . . . 5266 1 212 . 1 1 57 57 GLU CB C 13 29.848 0.08 . . . . . . . . . . 5266 1 213 . 1 1 58 58 SER N N 15 112.526 0.08 . . . . . . . . . . 5266 1 214 . 1 1 58 58 SER H H 1 7.821 0.01 . . . . . . . . . . 5266 1 215 . 1 1 58 58 SER CA C 13 60.022 0.08 . . . . . . . . . . 5266 1 216 . 1 1 58 58 SER CB C 13 64.084 0.08 . . . . . . . . . . 5266 1 217 . 1 1 59 59 LEU N N 15 120.626 0.08 . . . . . . . . . . 5266 1 218 . 1 1 59 59 LEU H H 1 7.579 0.01 . . . . . . . . . . 5266 1 219 . 1 1 59 59 LEU CA C 13 60.022 0.08 . . . . . . . . . . 5266 1 220 . 1 1 59 59 LEU CB C 13 39.623 0.08 . . . . . . . . . . 5266 1 221 . 1 1 60 60 PRO CA C 13 65.747 0.08 . . . . . . . . . . 5266 1 222 . 1 1 60 60 PRO CB C 13 31.917 0.08 . . . . . . . . . . 5266 1 223 . 1 1 61 61 VAL N N 15 108.152 0.08 . . . . . . . . . . 5266 1 224 . 1 1 61 61 VAL H H 1 7.496 0.01 . . . . . . . . . . 5266 1 225 . 1 1 61 61 VAL CA C 13 61.402 0.08 . . . . . . . . . . 5266 1 226 . 1 1 61 61 VAL CB C 13 31.781 0.08 . . . . . . . . . . 5266 1 227 . 1 1 62 62 LEU N N 15 120.788 0.08 . . . . . . . . . . 5266 1 228 . 1 1 62 62 LEU H H 1 7.913 0.01 . . . . . . . . . . 5266 1 229 . 1 1 62 62 LEU CA C 13 52.486 0.08 . . . . . . . . . . 5266 1 230 . 1 1 62 62 LEU CB C 13 41.301 0.08 . . . . . . . . . . 5266 1 231 . 1 1 64 64 ALA CA C 13 54.668 0.08 . . . . . . . . . . 5266 1 232 . 1 1 64 64 ALA CB C 13 17.774 0.08 . . . . . . . . . . 5266 1 233 . 1 1 65 65 SER CA C 13 60.493 0.08 . . . . . . . . . . 5266 1 234 . 1 1 66 66 THR N N 15 111.198 0.08 . . . . . . . . . . 5266 1 235 . 1 1 66 66 THR H H 1 8.170 0.01 . . . . . . . . . . 5266 1 236 . 1 1 66 66 THR CA C 13 62.842 0.08 . . . . . . . . . . 5266 1 237 . 1 1 66 66 THR CB C 13 70.856 0.08 . . . . . . . . . . 5266 1 238 . 1 1 67 67 HIS N N 15 119.298 0.08 . . . . . . . . . . 5266 1 239 . 1 1 67 67 HIS H H 1 7.682 0.01 . . . . . . . . . . 5266 1 240 . 1 1 67 67 HIS CA C 13 59.097 0.08 . . . . . . . . . . 5266 1 241 . 1 1 67 67 HIS CB C 13 31.085 0.08 . . . . . . . . . . 5266 1 242 . 1 1 68 68 ARG H H 1 8.775 0.01 . . . . . . . . . . 5266 1 243 . 1 1 68 68 ARG CA C 13 59.949 0.08 . . . . . . . . . . 5266 1 244 . 1 1 68 68 ARG CB C 13 29.088 0.08 . . . . . . . . . . 5266 1 245 . 1 1 68 68 ARG NE N 15 117.840 0.08 . . . . . . . . . . 5266 1 246 . 1 1 69 69 GLU N N 15 117.580 0.08 . . . . . . . . . . 5266 1 247 . 1 1 69 69 GLU H H 1 8.285 0.01 . . . . . . . . . . 5266 1 248 . 1 1 69 69 GLU CA C 13 59.655 0.08 . . . . . . . . . . 5266 1 249 . 1 1 69 69 GLU CB C 13 29.480 0.08 . . . . . . . . . . 5266 1 250 . 1 1 70 70 ILE N N 15 119.816 0.08 . . . . . . . . . . 5266 1 251 . 1 1 70 70 ILE H H 1 7.863 0.01 . . . . . . . . . . 5266 1 252 . 1 1 70 70 ILE CA C 13 65.986 0.08 . . . . . . . . . . 5266 1 253 . 1 1 70 70 ILE CB C 13 37.828 0.08 . . . . . . . . . . 5266 1 254 . 1 1 71 71 GLU N N 15 119.816 0.08 . . . . . . . . . . 5266 1 255 . 1 1 71 71 GLU H H 1 8.884 0.01 . . . . . . . . . . 5266 1 256 . 1 1 71 71 GLU CA C 13 60.021 0.08 . . . . . . . . . . 5266 1 257 . 1 1 71 71 GLU CB C 13 29.348 0.08 . . . . . . . . . . 5266 1 258 . 1 1 72 72 MET N N 15 116.479 0.08 . . . . . . . . . . 5266 1 259 . 1 1 72 72 MET H H 1 8.380 0.01 . . . . . . . . . . 5266 1 260 . 1 1 72 72 MET CA C 13 58.422 0.08 . . . . . . . . . . 5266 1 261 . 1 1 72 72 MET CB C 13 32.236 0.08 . . . . . . . . . . 5266 1 262 . 1 1 73 73 ALA N N 15 121.533 0.08 . . . . . . . . . . 5266 1 263 . 1 1 73 73 ALA H H 1 7.868 0.01 . . . . . . . . . . 5266 1 264 . 1 1 73 73 ALA CA C 13 54.852 0.08 . . . . . . . . . . 5266 1 265 . 1 1 73 73 ALA CB C 13 18.672 0.08 . . . . . . . . . . 5266 1 266 . 1 1 74 74 GLN N N 15 115.928 0.08 . . . . . . . . . . 5266 1 267 . 1 1 74 74 GLN H H 1 8.356 0.01 . . . . . . . . . . 5266 1 268 . 1 1 74 74 GLN CA C 13 59.880 0.08 . . . . . . . . . . 5266 1 269 . 1 1 74 74 GLN CB C 13 30.721 0.08 . . . . . . . . . . 5266 1 270 . 1 1 75 75 LYS N N 15 118.261 0.08 . . . . . . . . . . 5266 1 271 . 1 1 75 75 LYS H H 1 8.165 0.01 . . . . . . . . . . 5266 1 272 . 1 1 75 75 LYS CA C 13 59.887 0.08 . . . . . . . . . . 5266 1 273 . 1 1 75 75 LYS CB C 13 32.310 0.08 . . . . . . . . . . 5266 1 274 . 1 1 76 76 LEU N N 15 118.453 0.08 . . . . . . . . . . 5266 1 275 . 1 1 76 76 LEU H H 1 7.787 0.01 . . . . . . . . . . 5266 1 276 . 1 1 76 76 LEU CA C 13 57.654 0.08 . . . . . . . . . . 5266 1 277 . 1 1 76 76 LEU CB C 13 41.573 0.08 . . . . . . . . . . 5266 1 278 . 1 1 77 77 LEU N N 15 115.863 0.08 . . . . . . . . . . 5266 1 279 . 1 1 77 77 LEU H H 1 7.293 0.01 . . . . . . . . . . 5266 1 280 . 1 1 77 77 LEU CA C 13 57.980 0.08 . . . . . . . . . . 5266 1 281 . 1 1 77 77 LEU CB C 13 40.801 0.08 . . . . . . . . . . 5266 1 282 . 1 1 78 78 ASN N N 15 116.868 0.08 . . . . . . . . . . 5266 1 283 . 1 1 78 78 ASN H H 1 7.636 0.01 . . . . . . . . . . 5266 1 284 . 1 1 78 78 ASN CA C 13 55.909 0.08 . . . . . . . . . . 5266 1 285 . 1 1 78 78 ASN CB C 13 37.640 0.08 . . . . . . . . . . 5266 1 286 . 1 1 79 79 SER N N 15 115.861 0.08 . . . . . . . . . . 5266 1 287 . 1 1 79 79 SER H H 1 8.372 0.01 . . . . . . . . . . 5266 1 288 . 1 1 79 79 SER CA C 13 62.099 0.08 . . . . . . . . . . 5266 1 289 . 1 1 79 79 SER CB C 13 62.238 0.08 . . . . . . . . . . 5266 1 290 . 1 1 80 80 ASP N N 15 121.566 0.08 . . . . . . . . . . 5266 1 291 . 1 1 80 80 ASP H H 1 8.784 0.01 . . . . . . . . . . 5266 1 292 . 1 1 80 80 ASP CA C 13 55.943 0.08 . . . . . . . . . . 5266 1 293 . 1 1 80 80 ASP CB C 13 38.434 0.08 . . . . . . . . . . 5266 1 294 . 1 1 81 81 LEU N N 15 121.015 0.08 . . . . . . . . . . 5266 1 295 . 1 1 81 81 LEU H H 1 8.542 0.01 . . . . . . . . . . 5266 1 296 . 1 1 81 81 LEU CA C 13 57.391 0.08 . . . . . . . . . . 5266 1 297 . 1 1 81 81 LEU CB C 13 40.773 0.08 . . . . . . . . . . 5266 1 298 . 1 1 82 82 ALA N N 15 120.496 0.08 . . . . . . . . . . 5266 1 299 . 1 1 82 82 ALA H H 1 8.711 0.01 . . . . . . . . . . 5266 1 300 . 1 1 82 82 ALA CA C 13 55.760 0.08 . . . . . . . . . . 5266 1 301 . 1 1 82 82 ALA CB C 13 17.709 0.08 . . . . . . . . . . 5266 1 302 . 1 1 83 83 GLU N N 15 117.580 0.08 . . . . . . . . . . 5266 1 303 . 1 1 83 83 GLU H H 1 8.088 0.01 . . . . . . . . . . 5266 1 304 . 1 1 83 83 GLU CA C 13 59.007 0.08 . . . . . . . . . . 5266 1 305 . 1 1 83 83 GLU CB C 13 29.207 0.08 . . . . . . . . . . 5266 1 306 . 1 1 84 84 LEU N N 15 119.686 0.08 . . . . . . . . . . 5266 1 307 . 1 1 84 84 LEU H H 1 8.065 0.01 . . . . . . . . . . 5266 1 308 . 1 1 84 84 LEU CA C 13 59.080 0.08 . . . . . . . . . . 5266 1 309 . 1 1 84 84 LEU CB C 13 41.739 0.08 . . . . . . . . . . 5266 1 310 . 1 1 85 85 ILE N N 15 117.224 0.08 . . . . . . . . . . 5266 1 311 . 1 1 85 85 ILE H H 1 8.719 0.01 . . . . . . . . . . 5266 1 312 . 1 1 85 85 ILE CA C 13 66.094 0.08 . . . . . . . . . . 5266 1 313 . 1 1 85 85 ILE CB C 13 38.382 0.08 . . . . . . . . . . 5266 1 314 . 1 1 86 86 ASN N N 15 117.645 0.08 . . . . . . . . . . 5266 1 315 . 1 1 86 86 ASN H H 1 8.492 0.01 . . . . . . . . . . 5266 1 316 . 1 1 86 86 ASN CA C 13 56.755 0.08 . . . . . . . . . . 5266 1 317 . 1 1 86 86 ASN CB C 13 38.357 0.08 . . . . . . . . . . 5266 1 318 . 1 1 87 87 LYS N N 15 115.863 0.08 . . . . . . . . . . 5266 1 319 . 1 1 87 87 LYS H H 1 8.674 0.01 . . . . . . . . . . 5266 1 320 . 1 1 87 87 LYS CA C 13 57.607 0.08 . . . . . . . . . . 5266 1 321 . 1 1 87 87 LYS CB C 13 30.679 0.08 . . . . . . . . . . 5266 1 322 . 1 1 88 88 MET N N 15 120.691 0.08 . . . . . . . . . . 5266 1 323 . 1 1 88 88 MET H H 1 8.617 0.01 . . . . . . . . . . 5266 1 324 . 1 1 88 88 MET CA C 13 59.324 0.08 . . . . . . . . . . 5266 1 325 . 1 1 88 88 MET CB C 13 33.743 0.08 . . . . . . . . . . 5266 1 326 . 1 1 89 89 LYS N N 15 117.030 0.08 . . . . . . . . . . 5266 1 327 . 1 1 89 89 LYS H H 1 8.443 0.01 . . . . . . . . . . 5266 1 328 . 1 1 89 89 LYS CA C 13 59.846 0.08 . . . . . . . . . . 5266 1 329 . 1 1 89 89 LYS CB C 13 32.292 0.08 . . . . . . . . . . 5266 1 330 . 1 1 90 90 LEU N N 15 119.330 0.08 . . . . . . . . . . 5266 1 331 . 1 1 90 90 LEU H H 1 7.649 0.01 . . . . . . . . . . 5266 1 332 . 1 1 90 90 LEU CA C 13 58.193 0.08 . . . . . . . . . . 5266 1 333 . 1 1 90 90 LEU CB C 13 40.633 0.08 . . . . . . . . . . 5266 1 334 . 1 1 91 91 ALA N N 15 119.946 0.08 . . . . . . . . . . 5266 1 335 . 1 1 91 91 ALA H H 1 8.490 0.01 . . . . . . . . . . 5266 1 336 . 1 1 91 91 ALA CA C 13 56.027 0.08 . . . . . . . . . . 5266 1 337 . 1 1 91 91 ALA CB C 13 17.804 0.08 . . . . . . . . . . 5266 1 338 . 1 1 92 92 GLN N N 15 111.975 0.08 . . . . . . . . . . 5266 1 339 . 1 1 92 92 GLN H H 1 8.091 0.01 . . . . . . . . . . 5266 1 340 . 1 1 92 92 GLN CA C 13 58.656 0.08 . . . . . . . . . . 5266 1 341 . 1 1 92 92 GLN CB C 13 29.277 0.08 . . . . . . . . . . 5266 1 342 . 1 1 93 93 GLN N N 15 117.872 0.08 . . . . . . . . . . 5266 1 343 . 1 1 93 93 GLN H H 1 8.098 0.01 . . . . . . . . . . 5266 1 344 . 1 1 93 93 GLN CA C 13 57.997 0.08 . . . . . . . . . . 5266 1 345 . 1 1 93 93 GLN CB C 13 29.049 0.08 . . . . . . . . . . 5266 1 346 . 1 1 94 94 TYR N N 15 114.600 0.08 . . . . . . . . . . 5266 1 347 . 1 1 94 94 TYR H H 1 7.933 0.01 . . . . . . . . . . 5266 1 348 . 1 1 94 94 TYR CA C 13 58.497 0.08 . . . . . . . . . . 5266 1 349 . 1 1 94 94 TYR CB C 13 36.997 0.08 . . . . . . . . . . 5266 1 350 . 1 1 95 95 VAL N N 15 118.617 0.08 . . . . . . . . . . 5266 1 351 . 1 1 95 95 VAL H H 1 7.277 0.01 . . . . . . . . . . 5266 1 352 . 1 1 95 95 VAL CA C 13 63.452 0.08 . . . . . . . . . . 5266 1 353 . 1 1 95 95 VAL CB C 13 32.461 0.08 . . . . . . . . . . 5266 1 354 . 1 1 96 96 MET N N 15 116.576 0.08 . . . . . . . . . . 5266 1 355 . 1 1 96 96 MET H H 1 8.635 0.01 . . . . . . . . . . 5266 1 356 . 1 1 96 96 MET CA C 13 56.499 0.08 . . . . . . . . . . 5266 1 357 . 1 1 96 96 MET CB C 13 31.085 0.08 . . . . . . . . . . 5266 1 358 . 1 1 97 97 THR CA C 13 61.743 0.08 . . . . . . . . . . 5266 1 359 . 1 1 97 97 THR CB C 13 72.758 0.08 . . . . . . . . . . 5266 1 360 . 1 1 98 98 SER CA C 13 60.561 0.08 . . . . . . . . . . 5266 1 361 . 1 1 99 99 LEU N N 15 120.723 0.08 . . . . . . . . . . 5266 1 362 . 1 1 99 99 LEU H H 1 7.888 0.01 . . . . . . . . . . 5266 1 363 . 1 1 99 99 LEU CA C 13 56.119 0.08 . . . . . . . . . . 5266 1 364 . 1 1 99 99 LEU CB C 13 42.815 0.08 . . . . . . . . . . 5266 1 365 . 1 1 100 100 GLN N N 15 118.520 0.08 . . . . . . . . . . 5266 1 366 . 1 1 100 100 GLN H H 1 7.885 0.01 . . . . . . . . . . 5266 1 367 . 1 1 100 100 GLN CA C 13 60.622 0.08 . . . . . . . . . . 5266 1 368 . 1 1 100 100 GLN CB C 13 28.604 0.08 . . . . . . . . . . 5266 1 369 . 1 1 101 101 GLN N N 15 114.146 0.08 . . . . . . . . . . 5266 1 370 . 1 1 101 101 GLN H H 1 8.272 0.01 . . . . . . . . . . 5266 1 371 . 1 1 101 101 GLN CA C 13 58.639 0.08 . . . . . . . . . . 5266 1 372 . 1 1 101 101 GLN CB C 13 28.073 0.08 . . . . . . . . . . 5266 1 373 . 1 1 102 102 GLU N N 15 118.974 0.08 . . . . . . . . . . 5266 1 374 . 1 1 102 102 GLU H H 1 7.489 0.01 . . . . . . . . . . 5266 1 375 . 1 1 102 102 GLU CA C 13 58.563 0.08 . . . . . . . . . . 5266 1 376 . 1 1 102 102 GLU CB C 13 28.566 0.08 . . . . . . . . . . 5266 1 377 . 1 1 103 103 TYR N N 15 115.993 0.08 . . . . . . . . . . 5266 1 378 . 1 1 103 103 TYR H H 1 7.984 0.01 . . . . . . . . . . 5266 1 379 . 1 1 103 103 TYR CA C 13 62.166 0.08 . . . . . . . . . . 5266 1 380 . 1 1 103 103 TYR CB C 13 37.073 0.08 . . . . . . . . . . 5266 1 381 . 1 1 104 104 LYS N N 15 120.043 0.08 . . . . . . . . . . 5266 1 382 . 1 1 104 104 LYS H H 1 8.432 0.01 . . . . . . . . . . 5266 1 383 . 1 1 104 104 LYS CA C 13 60.728 0.08 . . . . . . . . . . 5266 1 384 . 1 1 104 104 LYS CB C 13 32.724 0.08 . . . . . . . . . . 5266 1 385 . 1 1 105 105 LYS N N 15 117.904 0.08 . . . . . . . . . . 5266 1 386 . 1 1 105 105 LYS H H 1 7.864 0.01 . . . . . . . . . . 5266 1 387 . 1 1 105 105 LYS CA C 13 60.161 0.08 . . . . . . . . . . 5266 1 388 . 1 1 105 105 LYS CB C 13 31.625 0.08 . . . . . . . . . . 5266 1 389 . 1 1 106 106 GLN N N 15 116.803 0.08 . . . . . . . . . . 5266 1 390 . 1 1 106 106 GLN H H 1 8.068 0.01 . . . . . . . . . . 5266 1 391 . 1 1 106 106 GLN CA C 13 59.309 0.08 . . . . . . . . . . 5266 1 392 . 1 1 106 106 GLN CB C 13 27.947 0.08 . . . . . . . . . . 5266 1 393 . 1 1 107 107 MET N N 15 120.334 0.08 . . . . . . . . . . 5266 1 394 . 1 1 107 107 MET H H 1 8.544 0.01 . . . . . . . . . . 5266 1 395 . 1 1 107 107 MET CA C 13 60.250 0.08 . . . . . . . . . . 5266 1 396 . 1 1 107 107 MET CB C 13 33.439 0.08 . . . . . . . . . . 5266 1 397 . 1 1 108 108 LEU N N 15 118.002 0.08 . . . . . . . . . . 5266 1 398 . 1 1 108 108 LEU H H 1 7.996 0.01 . . . . . . . . . . 5266 1 399 . 1 1 108 108 LEU CA C 13 58.486 0.08 . . . . . . . . . . 5266 1 400 . 1 1 108 108 LEU CB C 13 41.017 0.08 . . . . . . . . . . 5266 1 401 . 1 1 109 109 THR N N 15 116.123 0.08 . . . . . . . . . . 5266 1 402 . 1 1 109 109 THR H H 1 8.473 0.01 . . . . . . . . . . 5266 1 403 . 1 1 109 109 THR CA C 13 66.783 0.08 . . . . . . . . . . 5266 1 404 . 1 1 109 109 THR CB C 13 68.739 0.08 . . . . . . . . . . 5266 1 405 . 1 1 110 110 ALA N N 15 123.639 0.08 . . . . . . . . . . 5266 1 406 . 1 1 110 110 ALA H H 1 7.962 0.01 . . . . . . . . . . 5266 1 407 . 1 1 110 110 ALA CA C 13 54.869 0.08 . . . . . . . . . . 5266 1 408 . 1 1 110 110 ALA CB C 13 17.597 0.08 . . . . . . . . . . 5266 1 409 . 1 1 111 111 ALA N N 15 119.298 0.08 . . . . . . . . . . 5266 1 410 . 1 1 111 111 ALA H H 1 8.525 0.01 . . . . . . . . . . 5266 1 411 . 1 1 111 111 ALA CA C 13 54.889 0.08 . . . . . . . . . . 5266 1 412 . 1 1 111 111 ALA CB C 13 18.242 0.08 . . . . . . . . . . 5266 1 413 . 1 1 112 112 HIS N N 15 116.576 0.08 . . . . . . . . . . 5266 1 414 . 1 1 112 112 HIS H H 1 8.456 0.01 . . . . . . . . . . 5266 1 415 . 1 1 112 112 HIS CA C 13 59.985 0.08 . . . . . . . . . . 5266 1 416 . 1 1 112 112 HIS CB C 13 29.734 0.08 . . . . . . . . . . 5266 1 417 . 1 1 113 113 ALA N N 15 119.298 0.08 . . . . . . . . . . 5266 1 418 . 1 1 113 113 ALA H H 1 7.945 0.01 . . . . . . . . . . 5266 1 419 . 1 1 113 113 ALA CA C 13 55.234 0.08 . . . . . . . . . . 5266 1 420 . 1 1 113 113 ALA CB C 13 17.557 0.08 . . . . . . . . . . 5266 1 421 . 1 1 114 114 LEU N N 15 115.410 0.08 . . . . . . . . . . 5266 1 422 . 1 1 114 114 LEU H H 1 7.578 0.01 . . . . . . . . . . 5266 1 423 . 1 1 114 114 LEU CA C 13 58.066 0.08 . . . . . . . . . . 5266 1 424 . 1 1 114 114 LEU CB C 13 42.558 0.08 . . . . . . . . . . 5266 1 425 . 1 1 115 115 ALA N N 15 117.321 0.08 . . . . . . . . . . 5266 1 426 . 1 1 115 115 ALA H H 1 7.589 0.01 . . . . . . . . . . 5266 1 427 . 1 1 115 115 ALA CA C 13 55.314 0.08 . . . . . . . . . . 5266 1 428 . 1 1 115 115 ALA CB C 13 19.294 0.08 . . . . . . . . . . 5266 1 429 . 1 1 116 116 VAL N N 15 115.604 0.08 . . . . . . . . . . 5266 1 430 . 1 1 116 116 VAL H H 1 8.105 0.01 . . . . . . . . . . 5266 1 431 . 1 1 116 116 VAL CA C 13 66.689 0.08 . . . . . . . . . . 5266 1 432 . 1 1 116 116 VAL CB C 13 31.675 0.08 . . . . . . . . . . 5266 1 433 . 1 1 117 117 ASP N N 15 119.784 0.08 . . . . . . . . . . 5266 1 434 . 1 1 117 117 ASP H H 1 9.198 0.01 . . . . . . . . . . 5266 1 435 . 1 1 117 117 ASP CA C 13 56.751 0.08 . . . . . . . . . . 5266 1 436 . 1 1 117 117 ASP CB C 13 38.061 0.08 . . . . . . . . . . 5266 1 437 . 1 1 118 118 ALA N N 15 127.300 0.08 . . . . . . . . . . 5266 1 438 . 1 1 118 118 ALA H H 1 8.571 0.01 . . . . . . . . . . 5266 1 439 . 1 1 118 118 ALA CA C 13 55.528 0.08 . . . . . . . . . . 5266 1 440 . 1 1 118 118 ALA CB C 13 17.950 0.08 . . . . . . . . . . 5266 1 441 . 1 1 119 119 LYS N N 15 118.455 0.08 . . . . . . . . . . 5266 1 442 . 1 1 119 119 LYS H H 1 7.709 0.01 . . . . . . . . . . 5266 1 443 . 1 1 119 119 LYS CA C 13 59.374 0.08 . . . . . . . . . . 5266 1 444 . 1 1 119 119 LYS CB C 13 31.364 0.08 . . . . . . . . . . 5266 1 445 . 1 1 120 120 ASN N N 15 116.349 0.08 . . . . . . . . . . 5266 1 446 . 1 1 120 120 ASN H H 1 8.255 0.01 . . . . . . . . . . 5266 1 447 . 1 1 120 120 ASN CA C 13 56.914 0.08 . . . . . . . . . . 5266 1 448 . 1 1 120 120 ASN CB C 13 38.175 0.08 . . . . . . . . . . 5266 1 449 . 1 1 121 121 LEU N N 15 118.697 0.08 . . . . . . . . . . 5266 1 450 . 1 1 121 121 LEU H H 1 7.794 0.01 . . . . . . . . . . 5266 1 451 . 1 1 121 121 LEU CA C 13 58.207 0.08 . . . . . . . . . . 5266 1 452 . 1 1 121 121 LEU CB C 13 41.087 0.08 . . . . . . . . . . 5266 1 453 . 1 1 122 122 LEU N N 15 118.682 0.08 . . . . . . . . . . 5266 1 454 . 1 1 122 122 LEU H H 1 7.844 0.01 . . . . . . . . . . 5266 1 455 . 1 1 122 122 LEU CA C 13 58.207 0.08 . . . . . . . . . . 5266 1 456 . 1 1 122 122 LEU CB C 13 41.267 0.08 . . . . . . . . . . 5266 1 457 . 1 1 123 123 ASP N N 15 116.835 0.08 . . . . . . . . . . 5266 1 458 . 1 1 123 123 ASP H H 1 8.428 0.01 . . . . . . . . . . 5266 1 459 . 1 1 123 123 ASP CA C 13 58.069 0.08 . . . . . . . . . . 5266 1 460 . 1 1 123 123 ASP CB C 13 39.909 0.08 . . . . . . . . . . 5266 1 461 . 1 1 124 124 VAL N N 15 118.617 0.08 . . . . . . . . . . 5266 1 462 . 1 1 124 124 VAL H H 1 8.197 0.01 . . . . . . . . . . 5266 1 463 . 1 1 124 124 VAL CA C 13 66.464 0.08 . . . . . . . . . . 5266 1 464 . 1 1 124 124 VAL CB C 13 32.121 0.08 . . . . . . . . . . 5266 1 465 . 1 1 125 125 ILE N N 15 121.728 0.08 . . . . . . . . . . 5266 1 466 . 1 1 125 125 ILE H H 1 8.419 0.01 . . . . . . . . . . 5266 1 467 . 1 1 125 125 ILE CA C 13 64.989 0.08 . . . . . . . . . . 5266 1 468 . 1 1 125 125 ILE CB C 13 36.812 0.08 . . . . . . . . . . 5266 1 469 . 1 1 126 126 ASP N N 15 121.339 0.08 . . . . . . . . . . 5266 1 470 . 1 1 126 126 ASP H H 1 9.658 0.01 . . . . . . . . . . 5266 1 471 . 1 1 126 126 ASP CA C 13 57.960 0.08 . . . . . . . . . . 5266 1 472 . 1 1 126 126 ASP CB C 13 40.021 0.08 . . . . . . . . . . 5266 1 473 . 1 1 127 127 GLN N N 15 116.479 0.08 . . . . . . . . . . 5266 1 474 . 1 1 127 127 GLN H H 1 8.180 0.01 . . . . . . . . . . 5266 1 475 . 1 1 127 127 GLN CA C 13 58.865 0.08 . . . . . . . . . . 5266 1 476 . 1 1 127 127 GLN CB C 13 28.302 0.08 . . . . . . . . . . 5266 1 477 . 1 1 128 128 ALA N N 15 122.894 0.08 . . . . . . . . . . 5266 1 478 . 1 1 128 128 ALA H H 1 8.234 0.01 . . . . . . . . . . 5266 1 479 . 1 1 128 128 ALA CA C 13 55.547 0.08 . . . . . . . . . . 5266 1 480 . 1 1 128 128 ALA CB C 13 19.257 0.08 . . . . . . . . . . 5266 1 481 . 1 1 129 129 ARG N N 15 116.155 0.08 . . . . . . . . . . 5266 1 482 . 1 1 129 129 ARG H H 1 8.797 0.01 . . . . . . . . . . 5266 1 483 . 1 1 129 129 ARG CA C 13 59.530 0.08 . . . . . . . . . . 5266 1 484 . 1 1 129 129 ARG CB C 13 30.455 0.08 . . . . . . . . . . 5266 1 485 . 1 1 130 130 LEU N N 15 117.904 0.08 . . . . . . . . . . 5266 1 486 . 1 1 130 130 LEU H H 1 8.083 0.01 . . . . . . . . . . 5266 1 487 . 1 1 130 130 LEU CA C 13 57.558 0.08 . . . . . . . . . . 5266 1 488 . 1 1 130 130 LEU CB C 13 41.637 0.08 . . . . . . . . . . 5266 1 489 . 1 1 131 131 LYS N N 15 118.228 0.08 . . . . . . . . . . 5266 1 490 . 1 1 131 131 LYS H H 1 7.897 0.01 . . . . . . . . . . 5266 1 491 . 1 1 131 131 LYS CA C 13 58.231 0.08 . . . . . . . . . . 5266 1 492 . 1 1 131 131 LYS CB C 13 32.312 0.08 . . . . . . . . . . 5266 1 493 . 1 1 132 132 MET N N 15 116.738 0.08 . . . . . . . . . . 5266 1 494 . 1 1 132 132 MET H H 1 7.883 0.01 . . . . . . . . . . 5266 1 495 . 1 1 132 132 MET CA C 13 57.699 0.08 . . . . . . . . . . 5266 1 496 . 1 1 132 132 MET CB C 13 33.291 0.08 . . . . . . . . . . 5266 1 497 . 1 1 133 133 ILE N N 15 117.354 0.08 . . . . . . . . . . 5266 1 498 . 1 1 133 133 ILE H H 1 7.960 0.01 . . . . . . . . . . 5266 1 499 . 1 1 133 133 ILE CA C 13 62.844 0.08 . . . . . . . . . . 5266 1 500 . 1 1 133 133 ILE CB C 13 38.551 0.08 . . . . . . . . . . 5266 1 501 . 1 1 134 134 SER N N 15 115.507 0.08 . . . . . . . . . . 5266 1 502 . 1 1 134 134 SER H H 1 8.164 0.01 . . . . . . . . . . 5266 1 503 . 1 1 134 134 SER CA C 13 59.578 0.08 . . . . . . . . . . 5266 1 504 . 1 1 134 134 SER CB C 13 63.628 0.08 . . . . . . . . . . 5266 1 505 . 1 1 135 135 GLN N N 15 119.138 0.08 . . . . . . . . . . 5266 1 506 . 1 1 135 135 GLN H H 1 8.152 0.01 . . . . . . . . . . 5266 1 507 . 1 1 135 135 GLN CA C 13 56.164 0.08 . . . . . . . . . . 5266 1 508 . 1 1 135 135 GLN CB C 13 29.230 0.08 . . . . . . . . . . 5266 1 509 . 1 1 136 136 SER CA C 13 58.523 0.08 . . . . . . . . . . 5266 1 510 . 1 1 136 136 SER CB C 13 64.080 0.08 . . . . . . . . . . 5266 1 511 . 1 1 137 137 ARG N N 15 121.825 0.08 . . . . . . . . . . 5266 1 512 . 1 1 137 137 ARG H H 1 8.177 0.01 . . . . . . . . . . 5266 1 513 . 1 1 137 137 ARG CA C 13 54.029 0.08 . . . . . . . . . . 5266 1 514 . 1 1 137 137 ARG CB C 13 30.501 0.08 . . . . . . . . . . 5266 1 515 . 1 1 138 138 PRO CA C 13 63.558 0.08 . . . . . . . . . . 5266 1 516 . 1 1 138 138 PRO CB C 13 32.040 0.08 . . . . . . . . . . 5266 1 517 . 1 1 139 139 HIS N N 15 122.149 0.08 . . . . . . . . . . 5266 1 518 . 1 1 139 139 HIS H H 1 7.948 0.01 . . . . . . . . . . 5266 1 519 . 1 1 139 139 HIS CA C 13 57.256 0.08 . . . . . . . . . . 5266 1 520 . 1 1 139 139 HIS CB C 13 30.647 0.08 . . . . . . . . . . 5266 1 stop_ save_