data_50457 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50457 _Entry.Title ; Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to talazoparib ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-03 _Entry.Accession_date 2020-09-03 _Entry.Last_release_date 2020-09-03 _Entry.Original_release_date 2020-09-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to talazoparib' loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tom Ogden . E.H. . 0000-0002-5778-2002 50457 2 Ji-Chun Yang . . . 0000-0003-1933-5372 50457 3 David Neuhaus . . . 0000-0002-8561-7485 50457 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50457 heteronucl_NOEs 1 50457 heteronucl_T1_relaxation 1 50457 heteronucl_T1rho_relaxation 1 50457 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 324 50457 '1H chemical shifts' 324 50457 'T1 relaxation values' 297 50457 'T1rho relaxation values' 289 50457 'heteronuclear NOE values' 316 50457 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-04-13 2020-09-03 update BMRB 'update entry citation' 50457 1 . . 2020-09-15 2020-09-03 original author 'original release' 50457 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50454 'human PARP-1 CAT domain HN, N, CA and CB assignments and backbone amide group 15N relaxation data' 50457 BMRB 50455 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to veliparib' 50457 BMRB 50456 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to olaparib' 50457 BMRB 50458 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to EB-47' 50457 BMRB 50459 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L765F mutant' 50457 BMRB 50460 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L765A mutant' 50457 BMRB 50461 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L713F mutant' 50457 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50457 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33511412 _Citation.DOI 10.1093/nar/gkab020 _Citation.Full_citation . _Citation.Title ; Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 49 _Citation.Journal_issue 4 _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 2266 _Citation.Page_last 2288 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tom Ogden . E.H. . . 50457 1 2 Ji-Chun Yang . . . . 50457 1 3 Marianne Schimpl . . . . 50457 1 4 Laura Easton . E. . . 50457 1 5 Elizabeth Underwood . . . . 50457 1 6 Philip Rawlins . B. . . 50457 1 7 Michael McCauley . M. . . 50457 1 8 Marie-France Langelier . . . . 50457 1 9 John Pascal . M. . . 50457 1 10 Kevin Embrey . J. . . 50457 1 11 David Neuhaus . . . . 50457 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50457 _Assembly.ID 1 _Assembly.Name PARP-1_CAT_domain_talazoparib_complex _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'The talazoparib is PARP inhibitor.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PARP-1_CAT_domain 1 $entity_1 . . yes native no no . protein . 50457 1 2 talazoparib 2 $entity_2YQ . . no native no no . ligand . 50457 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50457 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTVNPGTKSKLPKPVQDLIK MIFDVESMKKAMVEYEIDLQ KMPLGKLSKRQIQAAYSILS EVQQAVSQGSSDSQILDLSN RFYTLIPHDFGMKKPPLLNN ADSVQAKAEMLDNLLDIEVA YSLLRGGSDDSSKDPIDVNY EKLKTDIKVVDRDSEEAEII RKYVKNTHATTHNAYDLEVI DIFKIEREGECQRYKPFKQL HNRRLLWHGSRTTNFAGILS QGLRIAPPEAPVTGYMFGKG IYFADMVSKSANYCHTSQGD PIGLILLGEVALGNMYELKH ASHISKLPKGKHSVKGLGKT TPDPSANISLDGVDVPLGTG ISSGVNDTSLLYNEYIVYDI AQVNLKYLLKLKFNFKTSLW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first residue in the sequence supplied here is a non-native glycine arising from cloning. The remaining residues are residues 656-1014 of human PARP-1 (the isoform having Ala at position 762). ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 360 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 655 GLY . 50457 1 2 656 THR . 50457 1 3 657 VAL . 50457 1 4 658 ASN . 50457 1 5 659 PRO . 50457 1 6 660 GLY . 50457 1 7 661 THR . 50457 1 8 662 LYS . 50457 1 9 663 SER . 50457 1 10 664 LYS . 50457 1 11 665 LEU . 50457 1 12 666 PRO . 50457 1 13 667 LYS . 50457 1 14 668 PRO . 50457 1 15 669 VAL . 50457 1 16 670 GLN . 50457 1 17 671 ASP . 50457 1 18 672 LEU . 50457 1 19 673 ILE . 50457 1 20 674 LYS . 50457 1 21 675 MET . 50457 1 22 676 ILE . 50457 1 23 677 PHE . 50457 1 24 678 ASP . 50457 1 25 679 VAL . 50457 1 26 680 GLU . 50457 1 27 681 SER . 50457 1 28 682 MET . 50457 1 29 683 LYS . 50457 1 30 684 LYS . 50457 1 31 685 ALA . 50457 1 32 686 MET . 50457 1 33 687 VAL . 50457 1 34 688 GLU . 50457 1 35 689 TYR . 50457 1 36 690 GLU . 50457 1 37 691 ILE . 50457 1 38 692 ASP . 50457 1 39 693 LEU . 50457 1 40 694 GLN . 50457 1 41 695 LYS . 50457 1 42 696 MET . 50457 1 43 697 PRO . 50457 1 44 698 LEU . 50457 1 45 699 GLY . 50457 1 46 700 LYS . 50457 1 47 701 LEU . 50457 1 48 702 SER . 50457 1 49 703 LYS . 50457 1 50 704 ARG . 50457 1 51 705 GLN . 50457 1 52 706 ILE . 50457 1 53 707 GLN . 50457 1 54 708 ALA . 50457 1 55 709 ALA . 50457 1 56 710 TYR . 50457 1 57 711 SER . 50457 1 58 712 ILE . 50457 1 59 713 LEU . 50457 1 60 714 SER . 50457 1 61 715 GLU . 50457 1 62 716 VAL . 50457 1 63 717 GLN . 50457 1 64 718 GLN . 50457 1 65 719 ALA . 50457 1 66 720 VAL . 50457 1 67 721 SER . 50457 1 68 722 GLN . 50457 1 69 723 GLY . 50457 1 70 724 SER . 50457 1 71 725 SER . 50457 1 72 726 ASP . 50457 1 73 727 SER . 50457 1 74 728 GLN . 50457 1 75 729 ILE . 50457 1 76 730 LEU . 50457 1 77 731 ASP . 50457 1 78 732 LEU . 50457 1 79 733 SER . 50457 1 80 734 ASN . 50457 1 81 735 ARG . 50457 1 82 736 PHE . 50457 1 83 737 TYR . 50457 1 84 738 THR . 50457 1 85 739 LEU . 50457 1 86 740 ILE . 50457 1 87 741 PRO . 50457 1 88 742 HIS . 50457 1 89 743 ASP . 50457 1 90 744 PHE . 50457 1 91 745 GLY . 50457 1 92 746 MET . 50457 1 93 747 LYS . 50457 1 94 748 LYS . 50457 1 95 749 PRO . 50457 1 96 750 PRO . 50457 1 97 751 LEU . 50457 1 98 752 LEU . 50457 1 99 753 ASN . 50457 1 100 754 ASN . 50457 1 101 755 ALA . 50457 1 102 756 ASP . 50457 1 103 757 SER . 50457 1 104 758 VAL . 50457 1 105 759 GLN . 50457 1 106 760 ALA . 50457 1 107 761 LYS . 50457 1 108 762 ALA . 50457 1 109 763 GLU . 50457 1 110 764 MET . 50457 1 111 765 LEU . 50457 1 112 766 ASP . 50457 1 113 767 ASN . 50457 1 114 768 LEU . 50457 1 115 769 LEU . 50457 1 116 770 ASP . 50457 1 117 771 ILE . 50457 1 118 772 GLU . 50457 1 119 773 VAL . 50457 1 120 774 ALA . 50457 1 121 775 TYR . 50457 1 122 776 SER . 50457 1 123 777 LEU . 50457 1 124 778 LEU . 50457 1 125 779 ARG . 50457 1 126 780 GLY . 50457 1 127 781 GLY . 50457 1 128 782 SER . 50457 1 129 783 ASP . 50457 1 130 784 ASP . 50457 1 131 785 SER . 50457 1 132 786 SER . 50457 1 133 787 LYS . 50457 1 134 788 ASP . 50457 1 135 789 PRO . 50457 1 136 790 ILE . 50457 1 137 791 ASP . 50457 1 138 792 VAL . 50457 1 139 793 ASN . 50457 1 140 794 TYR . 50457 1 141 795 GLU . 50457 1 142 796 LYS . 50457 1 143 797 LEU . 50457 1 144 798 LYS . 50457 1 145 799 THR . 50457 1 146 800 ASP . 50457 1 147 801 ILE . 50457 1 148 802 LYS . 50457 1 149 803 VAL . 50457 1 150 804 VAL . 50457 1 151 805 ASP . 50457 1 152 806 ARG . 50457 1 153 807 ASP . 50457 1 154 808 SER . 50457 1 155 809 GLU . 50457 1 156 810 GLU . 50457 1 157 811 ALA . 50457 1 158 812 GLU . 50457 1 159 813 ILE . 50457 1 160 814 ILE . 50457 1 161 815 ARG . 50457 1 162 816 LYS . 50457 1 163 817 TYR . 50457 1 164 818 VAL . 50457 1 165 819 LYS . 50457 1 166 820 ASN . 50457 1 167 821 THR . 50457 1 168 822 HIS . 50457 1 169 823 ALA . 50457 1 170 824 THR . 50457 1 171 825 THR . 50457 1 172 826 HIS . 50457 1 173 827 ASN . 50457 1 174 828 ALA . 50457 1 175 829 TYR . 50457 1 176 830 ASP . 50457 1 177 831 LEU . 50457 1 178 832 GLU . 50457 1 179 833 VAL . 50457 1 180 834 ILE . 50457 1 181 835 ASP . 50457 1 182 836 ILE . 50457 1 183 837 PHE . 50457 1 184 838 LYS . 50457 1 185 839 ILE . 50457 1 186 840 GLU . 50457 1 187 841 ARG . 50457 1 188 842 GLU . 50457 1 189 843 GLY . 50457 1 190 844 GLU . 50457 1 191 845 CYS . 50457 1 192 846 GLN . 50457 1 193 847 ARG . 50457 1 194 848 TYR . 50457 1 195 849 LYS . 50457 1 196 850 PRO . 50457 1 197 851 PHE . 50457 1 198 852 LYS . 50457 1 199 853 GLN . 50457 1 200 854 LEU . 50457 1 201 855 HIS . 50457 1 202 856 ASN . 50457 1 203 857 ARG . 50457 1 204 858 ARG . 50457 1 205 859 LEU . 50457 1 206 860 LEU . 50457 1 207 861 TRP . 50457 1 208 862 HIS . 50457 1 209 863 GLY . 50457 1 210 864 SER . 50457 1 211 865 ARG . 50457 1 212 866 THR . 50457 1 213 867 THR . 50457 1 214 868 ASN . 50457 1 215 869 PHE . 50457 1 216 870 ALA . 50457 1 217 871 GLY . 50457 1 218 872 ILE . 50457 1 219 873 LEU . 50457 1 220 874 SER . 50457 1 221 875 GLN . 50457 1 222 876 GLY . 50457 1 223 877 LEU . 50457 1 224 878 ARG . 50457 1 225 879 ILE . 50457 1 226 880 ALA . 50457 1 227 881 PRO . 50457 1 228 882 PRO . 50457 1 229 883 GLU . 50457 1 230 884 ALA . 50457 1 231 885 PRO . 50457 1 232 886 VAL . 50457 1 233 887 THR . 50457 1 234 888 GLY . 50457 1 235 889 TYR . 50457 1 236 890 MET . 50457 1 237 891 PHE . 50457 1 238 892 GLY . 50457 1 239 893 LYS . 50457 1 240 894 GLY . 50457 1 241 895 ILE . 50457 1 242 896 TYR . 50457 1 243 897 PHE . 50457 1 244 898 ALA . 50457 1 245 899 ASP . 50457 1 246 900 MET . 50457 1 247 901 VAL . 50457 1 248 902 SER . 50457 1 249 903 LYS . 50457 1 250 904 SER . 50457 1 251 905 ALA . 50457 1 252 906 ASN . 50457 1 253 907 TYR . 50457 1 254 908 CYS . 50457 1 255 909 HIS . 50457 1 256 910 THR . 50457 1 257 911 SER . 50457 1 258 912 GLN . 50457 1 259 913 GLY . 50457 1 260 914 ASP . 50457 1 261 915 PRO . 50457 1 262 916 ILE . 50457 1 263 917 GLY . 50457 1 264 918 LEU . 50457 1 265 919 ILE . 50457 1 266 920 LEU . 50457 1 267 921 LEU . 50457 1 268 922 GLY . 50457 1 269 923 GLU . 50457 1 270 924 VAL . 50457 1 271 925 ALA . 50457 1 272 926 LEU . 50457 1 273 927 GLY . 50457 1 274 928 ASN . 50457 1 275 929 MET . 50457 1 276 930 TYR . 50457 1 277 931 GLU . 50457 1 278 932 LEU . 50457 1 279 933 LYS . 50457 1 280 934 HIS . 50457 1 281 935 ALA . 50457 1 282 936 SER . 50457 1 283 937 HIS . 50457 1 284 938 ILE . 50457 1 285 939 SER . 50457 1 286 940 LYS . 50457 1 287 941 LEU . 50457 1 288 942 PRO . 50457 1 289 943 LYS . 50457 1 290 944 GLY . 50457 1 291 945 LYS . 50457 1 292 946 HIS . 50457 1 293 947 SER . 50457 1 294 948 VAL . 50457 1 295 949 LYS . 50457 1 296 950 GLY . 50457 1 297 951 LEU . 50457 1 298 952 GLY . 50457 1 299 953 LYS . 50457 1 300 954 THR . 50457 1 301 955 THR . 50457 1 302 956 PRO . 50457 1 303 957 ASP . 50457 1 304 958 PRO . 50457 1 305 959 SER . 50457 1 306 960 ALA . 50457 1 307 961 ASN . 50457 1 308 962 ILE . 50457 1 309 963 SER . 50457 1 310 964 LEU . 50457 1 311 965 ASP . 50457 1 312 966 GLY . 50457 1 313 967 VAL . 50457 1 314 968 ASP . 50457 1 315 969 VAL . 50457 1 316 970 PRO . 50457 1 317 971 LEU . 50457 1 318 972 GLY . 50457 1 319 973 THR . 50457 1 320 974 GLY . 50457 1 321 975 ILE . 50457 1 322 976 SER . 50457 1 323 977 SER . 50457 1 324 978 GLY . 50457 1 325 979 VAL . 50457 1 326 980 ASN . 50457 1 327 981 ASP . 50457 1 328 982 THR . 50457 1 329 983 SER . 50457 1 330 984 LEU . 50457 1 331 985 LEU . 50457 1 332 986 TYR . 50457 1 333 987 ASN . 50457 1 334 988 GLU . 50457 1 335 989 TYR . 50457 1 336 990 ILE . 50457 1 337 991 VAL . 50457 1 338 992 TYR . 50457 1 339 993 ASP . 50457 1 340 994 ILE . 50457 1 341 995 ALA . 50457 1 342 996 GLN . 50457 1 343 997 VAL . 50457 1 344 998 ASN . 50457 1 345 999 LEU . 50457 1 346 1000 LYS . 50457 1 347 1001 TYR . 50457 1 348 1002 LEU . 50457 1 349 1003 LEU . 50457 1 350 1004 LYS . 50457 1 351 1005 LEU . 50457 1 352 1006 LYS . 50457 1 353 1007 PHE . 50457 1 354 1008 ASN . 50457 1 355 1009 PHE . 50457 1 356 1010 LYS . 50457 1 357 1011 THR . 50457 1 358 1012 SER . 50457 1 359 1013 LEU . 50457 1 360 1014 TRP . 50457 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 50457 1 . THR 2 2 50457 1 . VAL 3 3 50457 1 . ASN 4 4 50457 1 . PRO 5 5 50457 1 . GLY 6 6 50457 1 . THR 7 7 50457 1 . LYS 8 8 50457 1 . SER 9 9 50457 1 . LYS 10 10 50457 1 . LEU 11 11 50457 1 . PRO 12 12 50457 1 . LYS 13 13 50457 1 . PRO 14 14 50457 1 . VAL 15 15 50457 1 . GLN 16 16 50457 1 . ASP 17 17 50457 1 . LEU 18 18 50457 1 . ILE 19 19 50457 1 . LYS 20 20 50457 1 . MET 21 21 50457 1 . ILE 22 22 50457 1 . PHE 23 23 50457 1 . ASP 24 24 50457 1 . VAL 25 25 50457 1 . GLU 26 26 50457 1 . SER 27 27 50457 1 . MET 28 28 50457 1 . LYS 29 29 50457 1 . LYS 30 30 50457 1 . ALA 31 31 50457 1 . MET 32 32 50457 1 . VAL 33 33 50457 1 . GLU 34 34 50457 1 . TYR 35 35 50457 1 . GLU 36 36 50457 1 . ILE 37 37 50457 1 . ASP 38 38 50457 1 . LEU 39 39 50457 1 . GLN 40 40 50457 1 . LYS 41 41 50457 1 . MET 42 42 50457 1 . PRO 43 43 50457 1 . LEU 44 44 50457 1 . GLY 45 45 50457 1 . LYS 46 46 50457 1 . LEU 47 47 50457 1 . SER 48 48 50457 1 . LYS 49 49 50457 1 . ARG 50 50 50457 1 . GLN 51 51 50457 1 . ILE 52 52 50457 1 . GLN 53 53 50457 1 . ALA 54 54 50457 1 . ALA 55 55 50457 1 . TYR 56 56 50457 1 . SER 57 57 50457 1 . ILE 58 58 50457 1 . LEU 59 59 50457 1 . SER 60 60 50457 1 . GLU 61 61 50457 1 . VAL 62 62 50457 1 . GLN 63 63 50457 1 . GLN 64 64 50457 1 . ALA 65 65 50457 1 . VAL 66 66 50457 1 . SER 67 67 50457 1 . GLN 68 68 50457 1 . GLY 69 69 50457 1 . SER 70 70 50457 1 . SER 71 71 50457 1 . ASP 72 72 50457 1 . SER 73 73 50457 1 . GLN 74 74 50457 1 . ILE 75 75 50457 1 . LEU 76 76 50457 1 . ASP 77 77 50457 1 . LEU 78 78 50457 1 . SER 79 79 50457 1 . ASN 80 80 50457 1 . ARG 81 81 50457 1 . PHE 82 82 50457 1 . TYR 83 83 50457 1 . THR 84 84 50457 1 . LEU 85 85 50457 1 . ILE 86 86 50457 1 . PRO 87 87 50457 1 . HIS 88 88 50457 1 . ASP 89 89 50457 1 . PHE 90 90 50457 1 . GLY 91 91 50457 1 . MET 92 92 50457 1 . LYS 93 93 50457 1 . LYS 94 94 50457 1 . PRO 95 95 50457 1 . PRO 96 96 50457 1 . LEU 97 97 50457 1 . LEU 98 98 50457 1 . ASN 99 99 50457 1 . ASN 100 100 50457 1 . ALA 101 101 50457 1 . ASP 102 102 50457 1 . SER 103 103 50457 1 . VAL 104 104 50457 1 . GLN 105 105 50457 1 . ALA 106 106 50457 1 . LYS 107 107 50457 1 . ALA 108 108 50457 1 . GLU 109 109 50457 1 . MET 110 110 50457 1 . LEU 111 111 50457 1 . ASP 112 112 50457 1 . ASN 113 113 50457 1 . LEU 114 114 50457 1 . LEU 115 115 50457 1 . ASP 116 116 50457 1 . ILE 117 117 50457 1 . GLU 118 118 50457 1 . VAL 119 119 50457 1 . ALA 120 120 50457 1 . TYR 121 121 50457 1 . SER 122 122 50457 1 . LEU 123 123 50457 1 . LEU 124 124 50457 1 . ARG 125 125 50457 1 . GLY 126 126 50457 1 . GLY 127 127 50457 1 . SER 128 128 50457 1 . ASP 129 129 50457 1 . ASP 130 130 50457 1 . SER 131 131 50457 1 . SER 132 132 50457 1 . LYS 133 133 50457 1 . ASP 134 134 50457 1 . PRO 135 135 50457 1 . ILE 136 136 50457 1 . ASP 137 137 50457 1 . VAL 138 138 50457 1 . ASN 139 139 50457 1 . TYR 140 140 50457 1 . GLU 141 141 50457 1 . LYS 142 142 50457 1 . LEU 143 143 50457 1 . LYS 144 144 50457 1 . THR 145 145 50457 1 . ASP 146 146 50457 1 . ILE 147 147 50457 1 . LYS 148 148 50457 1 . VAL 149 149 50457 1 . VAL 150 150 50457 1 . ASP 151 151 50457 1 . ARG 152 152 50457 1 . ASP 153 153 50457 1 . SER 154 154 50457 1 . GLU 155 155 50457 1 . GLU 156 156 50457 1 . ALA 157 157 50457 1 . GLU 158 158 50457 1 . ILE 159 159 50457 1 . ILE 160 160 50457 1 . ARG 161 161 50457 1 . LYS 162 162 50457 1 . TYR 163 163 50457 1 . VAL 164 164 50457 1 . LYS 165 165 50457 1 . ASN 166 166 50457 1 . THR 167 167 50457 1 . HIS 168 168 50457 1 . ALA 169 169 50457 1 . THR 170 170 50457 1 . THR 171 171 50457 1 . HIS 172 172 50457 1 . ASN 173 173 50457 1 . ALA 174 174 50457 1 . TYR 175 175 50457 1 . ASP 176 176 50457 1 . LEU 177 177 50457 1 . GLU 178 178 50457 1 . VAL 179 179 50457 1 . ILE 180 180 50457 1 . ASP 181 181 50457 1 . ILE 182 182 50457 1 . PHE 183 183 50457 1 . LYS 184 184 50457 1 . ILE 185 185 50457 1 . GLU 186 186 50457 1 . ARG 187 187 50457 1 . GLU 188 188 50457 1 . GLY 189 189 50457 1 . GLU 190 190 50457 1 . CYS 191 191 50457 1 . GLN 192 192 50457 1 . ARG 193 193 50457 1 . TYR 194 194 50457 1 . LYS 195 195 50457 1 . PRO 196 196 50457 1 . PHE 197 197 50457 1 . LYS 198 198 50457 1 . GLN 199 199 50457 1 . LEU 200 200 50457 1 . HIS 201 201 50457 1 . ASN 202 202 50457 1 . ARG 203 203 50457 1 . ARG 204 204 50457 1 . LEU 205 205 50457 1 . LEU 206 206 50457 1 . TRP 207 207 50457 1 . HIS 208 208 50457 1 . GLY 209 209 50457 1 . SER 210 210 50457 1 . ARG 211 211 50457 1 . THR 212 212 50457 1 . THR 213 213 50457 1 . ASN 214 214 50457 1 . PHE 215 215 50457 1 . ALA 216 216 50457 1 . GLY 217 217 50457 1 . ILE 218 218 50457 1 . LEU 219 219 50457 1 . SER 220 220 50457 1 . GLN 221 221 50457 1 . GLY 222 222 50457 1 . LEU 223 223 50457 1 . ARG 224 224 50457 1 . ILE 225 225 50457 1 . ALA 226 226 50457 1 . PRO 227 227 50457 1 . PRO 228 228 50457 1 . GLU 229 229 50457 1 . ALA 230 230 50457 1 . PRO 231 231 50457 1 . VAL 232 232 50457 1 . THR 233 233 50457 1 . GLY 234 234 50457 1 . TYR 235 235 50457 1 . MET 236 236 50457 1 . PHE 237 237 50457 1 . GLY 238 238 50457 1 . LYS 239 239 50457 1 . GLY 240 240 50457 1 . ILE 241 241 50457 1 . TYR 242 242 50457 1 . PHE 243 243 50457 1 . ALA 244 244 50457 1 . ASP 245 245 50457 1 . MET 246 246 50457 1 . VAL 247 247 50457 1 . SER 248 248 50457 1 . LYS 249 249 50457 1 . SER 250 250 50457 1 . ALA 251 251 50457 1 . ASN 252 252 50457 1 . TYR 253 253 50457 1 . CYS 254 254 50457 1 . HIS 255 255 50457 1 . THR 256 256 50457 1 . SER 257 257 50457 1 . GLN 258 258 50457 1 . GLY 259 259 50457 1 . ASP 260 260 50457 1 . PRO 261 261 50457 1 . ILE 262 262 50457 1 . GLY 263 263 50457 1 . LEU 264 264 50457 1 . ILE 265 265 50457 1 . LEU 266 266 50457 1 . LEU 267 267 50457 1 . GLY 268 268 50457 1 . GLU 269 269 50457 1 . VAL 270 270 50457 1 . ALA 271 271 50457 1 . LEU 272 272 50457 1 . GLY 273 273 50457 1 . ASN 274 274 50457 1 . MET 275 275 50457 1 . TYR 276 276 50457 1 . GLU 277 277 50457 1 . LEU 278 278 50457 1 . LYS 279 279 50457 1 . HIS 280 280 50457 1 . ALA 281 281 50457 1 . SER 282 282 50457 1 . HIS 283 283 50457 1 . ILE 284 284 50457 1 . SER 285 285 50457 1 . LYS 286 286 50457 1 . LEU 287 287 50457 1 . PRO 288 288 50457 1 . LYS 289 289 50457 1 . GLY 290 290 50457 1 . LYS 291 291 50457 1 . HIS 292 292 50457 1 . SER 293 293 50457 1 . VAL 294 294 50457 1 . LYS 295 295 50457 1 . GLY 296 296 50457 1 . LEU 297 297 50457 1 . GLY 298 298 50457 1 . LYS 299 299 50457 1 . THR 300 300 50457 1 . THR 301 301 50457 1 . PRO 302 302 50457 1 . ASP 303 303 50457 1 . PRO 304 304 50457 1 . SER 305 305 50457 1 . ALA 306 306 50457 1 . ASN 307 307 50457 1 . ILE 308 308 50457 1 . SER 309 309 50457 1 . LEU 310 310 50457 1 . ASP 311 311 50457 1 . GLY 312 312 50457 1 . VAL 313 313 50457 1 . ASP 314 314 50457 1 . VAL 315 315 50457 1 . PRO 316 316 50457 1 . LEU 317 317 50457 1 . GLY 318 318 50457 1 . THR 319 319 50457 1 . GLY 320 320 50457 1 . ILE 321 321 50457 1 . SER 322 322 50457 1 . SER 323 323 50457 1 . GLY 324 324 50457 1 . VAL 325 325 50457 1 . ASN 326 326 50457 1 . ASP 327 327 50457 1 . THR 328 328 50457 1 . SER 329 329 50457 1 . LEU 330 330 50457 1 . LEU 331 331 50457 1 . TYR 332 332 50457 1 . ASN 333 333 50457 1 . GLU 334 334 50457 1 . TYR 335 335 50457 1 . ILE 336 336 50457 1 . VAL 337 337 50457 1 . TYR 338 338 50457 1 . ASP 339 339 50457 1 . ILE 340 340 50457 1 . ALA 341 341 50457 1 . GLN 342 342 50457 1 . VAL 343 343 50457 1 . ASN 344 344 50457 1 . LEU 345 345 50457 1 . LYS 346 346 50457 1 . TYR 347 347 50457 1 . LEU 348 348 50457 1 . LEU 349 349 50457 1 . LYS 350 350 50457 1 . LEU 351 351 50457 1 . LYS 352 352 50457 1 . PHE 353 353 50457 1 . ASN 354 354 50457 1 . PHE 355 355 50457 1 . LYS 356 356 50457 1 . THR 357 357 50457 1 . SER 358 358 50457 1 . LEU 359 359 50457 1 . TRP 360 360 50457 1 stop_ save_ save_entity_2YQ _Entity.Sf_category entity _Entity.Sf_framecode entity_2YQ _Entity.Entry_ID 50457 _Entity.ID 2 _Entity.BMRB_code 2YQ _Entity.Name entity_2YQ _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 2YQ _Entity.Nonpolymer_comp_label $chem_comp_2YQ _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 380.351 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one BMRB 50457 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one BMRB 50457 2 2YQ 'Three letter code' 50457 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 2YQ $chem_comp_2YQ 50457 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50457 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50457 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50457 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET28 . . . 50457 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_2YQ _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_2YQ _Chem_comp.Entry_ID 50457 _Chem_comp.ID 2YQ _Chem_comp.Provenance PDB _Chem_comp.Name (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 2YQ _Chem_comp.PDB_code 2YQ _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-09-19 _Chem_comp.Modified_date 2014-09-19 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 2YQ _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 28 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C19 H14 F2 N6 O' _Chem_comp.Formula_weight 380.351 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 4PJT _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one C19 H14 F2 N6 O ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cn1c(ncn1)C2C(Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F SMILES 'OpenEye OEToolkits' 1.9.2 50457 2YQ Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.9.2 50457 2YQ Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5 SMILES_CANONICAL CACTVS 3.385 50457 2YQ Cn1ncnc1[CH]2[CH](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5 SMILES CACTVS 3.385 50457 2YQ Fc1ccc(cc1)C5Nc2c3c(cc(F)c2)C(=O)NN=C3C5c4ncnn4C SMILES ACDLabs 12.01 50457 2YQ HWGQMRYQVZSGDQ-HZPDHXFCSA-N InChIKey InChI 1.03 50457 2YQ ; InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 ; InChI InChI 1.03 50457 2YQ stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one 'SYSTEMATIC NAME' ACDLabs 12.01 50457 2YQ stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . -40.407 . 6.031 . -10.033 . 0.857 0.275 2.161 1 . 50457 2YQ N3 N3 N3 N2 . N . . N 0 . . . 1 no no . . . . -37.973 . 8.792 . -8.263 . 0.262 -0.140 -1.887 2 . 50457 2YQ C4 C4 C4 C1 . C . . N 0 . . . 1 no no . . . . -41.662 . 7.736 . -11.107 . -0.323 2.367 2.246 3 . 50457 2YQ C5 C5 C5 C2 . C . . R 0 . . . 1 no no . . . . -38.479 . 6.427 . -8.591 . 1.273 -1.056 0.150 4 . 50457 2YQ C6 C6 C6 C3 . C . . S 0 . . . 1 no no . . . . -38.016 . 7.491 . -7.597 . 0.417 -1.361 -1.083 5 . 50457 2YQ C7 C7 C7 C4 . C . . N 0 . . . 1 yes no . . . . -38.921 . 9.160 . -9.119 . -0.234 1.003 -1.259 6 . 50457 2YQ C8 C8 C8 C5 . C . . N 0 . . . 1 yes no . . . . -39.131 . 10.516 . -9.329 . -0.912 1.985 -1.952 7 . 50457 2YQ C10 C10 C10 C6 . C . . N 0 . . . 1 yes no . . . . -41.022 . 10.039 . -10.746 . -1.224 3.255 0.076 8 . 50457 2YQ C13 C13 C13 C7 . C . . N 0 . . . 1 yes no . . . . -34.319 . 6.639 . -7.456 . -3.317 -1.578 -0.576 9 . 50457 2YQ C15 C15 C15 C8 . C . . N 0 . . . 1 yes no . . . . -35.409 . 5.741 . -5.541 . -2.293 -3.461 0.497 10 . 50457 2YQ C17 C17 C17 C9 . C . . N 0 . . . 1 yes no . . . . -38.731 . 5.196 . -7.860 . 2.685 -0.751 -0.282 11 . 50457 2YQ F2 F2 F2 F1 . F . . N 0 . . . 1 no no . . . . -33.114 . 5.374 . -5.855 . -4.646 -3.187 0.548 12 . 50457 2YQ C14 C14 C14 C10 . C . . N 0 . . . 1 yes no . . . . -34.253 . 5.927 . -6.276 . -3.429 -2.746 0.160 13 . 50457 2YQ C12 C12 C12 C11 . C . . N 0 . . . 1 yes no . . . . -35.545 . 7.171 . -7.867 . -2.073 -1.131 -0.977 14 . 50457 2YQ C16 C16 C16 C12 . C . . N 0 . . . 1 yes no . . . . -36.633 . 6.267 . -5.944 . -1.049 -3.015 0.090 15 . 50457 2YQ C11 C11 C11 C13 . C . . N 0 . . . 1 yes no . . . . -36.698 . 6.987 . -7.116 . -0.939 -1.849 -0.644 16 . 50457 2YQ N6 N6 N6 N3 . N . . N 0 . . . 1 yes no . . . . -39.651 . 4.949 . -6.902 . 3.051 0.220 -1.078 17 . 50457 2YQ C18 C18 C18 C14 . C . . N 0 . . . 1 yes no . . . . -39.468 . 3.676 . -6.466 . 4.373 0.194 -1.243 18 . 50457 2YQ N5 N5 N5 N4 . N . . N 0 . . . 1 yes no . . . . -38.438 . 3.094 . -7.116 . 4.868 -0.798 -0.551 19 . 50457 2YQ N4 N4 N4 N5 . N . . N 0 . . . 1 yes no . . . . -37.967 . 4.098 . -7.964 . 3.787 -1.426 0.089 20 . 50457 2YQ C19 C19 C19 C15 . C . . N 0 . . . 1 no no . . . . -36.799 . 3.728 . -8.806 . 3.848 -2.586 0.981 21 . 50457 2YQ C3 C3 C3 C16 . C . . N 0 . . . 1 no no . . . . -39.600 . 6.903 . -9.440 . 0.702 0.134 0.879 22 . 50457 2YQ C2 C2 C2 C17 . C . . N 0 . . . 1 yes no . . . . -39.791 . 8.252 . -9.680 . -0.032 1.147 0.123 23 . 50457 2YQ C9 C9 C9 C18 . C . . N 0 . . . 1 yes no . . . . -40.159 . 10.944 . -10.130 . -1.401 3.103 -1.286 24 . 50457 2YQ F1 F1 F1 F2 . F . . N 0 . . . 1 no no . . . . -40.323 . 12.244 . -10.276 . -2.059 4.057 -1.981 25 . 50457 2YQ C1 C1 C1 C19 . C . . N 0 . . . 1 yes no . . . . -40.844 . 8.684 . -10.497 . -0.542 2.277 0.797 26 . 50457 2YQ O O O O1 . O . . N 0 . . . 1 no no . . . . -42.593 . 8.036 . -11.858 . -0.742 3.319 2.880 27 . 50457 2YQ N2 N2 N2 N6 . N . . N 0 . . . 1 no no . . . . -41.444 . 6.467 . -10.872 . 0.352 1.372 2.861 28 . 50457 2YQ H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -37.109 . 8.824 . -8.766 . 0.498 -0.128 -2.828 29 . 50457 2YQ H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -37.628 . 6.239 . -9.262 . 1.276 -1.921 0.813 30 . 50457 2YQ H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . -38.724 . 7.526 . -6.756 . 0.904 -2.131 -1.682 31 . 50457 2YQ H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -38.481 . 11.239 . -8.859 . -1.063 1.884 -3.017 32 . 50457 2YQ H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -41.809 . 10.383 . -11.400 . -1.613 4.127 0.580 33 . 50457 2YQ H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -33.433 . 6.784 . -8.056 . -4.203 -1.020 -0.840 34 . 50457 2YQ H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -35.361 . 5.170 . -4.626 . -2.378 -4.372 1.072 35 . 50457 2YQ H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -35.596 . 7.736 . -8.786 . -1.985 -0.221 -1.551 36 . 50457 2YQ H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . -37.519 . 6.113 . -5.346 . -0.164 -3.578 0.347 37 . 50457 2YQ H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . -40.064 . 3.196 . -5.704 . 4.943 0.881 -1.851 38 . 50457 2YQ H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . -36.510 . 2.688 . -8.596 . 3.751 -3.500 0.395 39 . 50457 2YQ H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . -37.067 . 3.827 . -9.868 . 4.802 -2.591 1.507 40 . 50457 2YQ H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . -35.956 . 4.396 . -8.577 . 3.034 -2.531 1.705 41 . 50457 2YQ H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -42.035 . 5.786 . -11.304 . 0.490 1.422 3.820 42 . 50457 2YQ stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB O C4 no N 1 . 50457 2YQ 2 . SING C4 N2 no N 2 . 50457 2YQ 3 . SING C4 C1 no N 3 . 50457 2YQ 4 . SING N2 N1 no N 4 . 50457 2YQ 5 . DOUB C10 C1 yes N 5 . 50457 2YQ 6 . SING C10 C9 yes N 6 . 50457 2YQ 7 . SING C1 C2 yes N 7 . 50457 2YQ 8 . SING F1 C9 no N 8 . 50457 2YQ 9 . DOUB C9 C8 yes N 9 . 50457 2YQ 10 . DOUB N1 C3 no N 10 . 50457 2YQ 11 . SING C2 C3 no N 11 . 50457 2YQ 12 . DOUB C2 C7 yes N 12 . 50457 2YQ 13 . SING C3 C5 no N 13 . 50457 2YQ 14 . SING C8 C7 yes N 14 . 50457 2YQ 15 . SING C7 N3 no N 15 . 50457 2YQ 16 . SING C19 N4 no N 16 . 50457 2YQ 17 . SING C5 C17 no N 17 . 50457 2YQ 18 . SING C5 C6 no N 18 . 50457 2YQ 19 . SING N3 C6 no N 19 . 50457 2YQ 20 . SING N4 C17 yes N 20 . 50457 2YQ 21 . SING N4 N5 yes N 21 . 50457 2YQ 22 . DOUB C12 C13 yes N 22 . 50457 2YQ 23 . SING C12 C11 yes N 23 . 50457 2YQ 24 . DOUB C17 N6 yes N 24 . 50457 2YQ 25 . SING C6 C11 no N 25 . 50457 2YQ 26 . SING C13 C14 yes N 26 . 50457 2YQ 27 . DOUB N5 C18 yes N 27 . 50457 2YQ 28 . DOUB C11 C16 yes N 28 . 50457 2YQ 29 . SING N6 C18 yes N 29 . 50457 2YQ 30 . SING C14 F2 no N 30 . 50457 2YQ 31 . DOUB C14 C15 yes N 31 . 50457 2YQ 32 . SING C16 C15 yes N 32 . 50457 2YQ 33 . SING N3 H1 no N 33 . 50457 2YQ 34 . SING C5 H2 no N 34 . 50457 2YQ 35 . SING C6 H3 no N 35 . 50457 2YQ 36 . SING C8 H4 no N 36 . 50457 2YQ 37 . SING C10 H5 no N 37 . 50457 2YQ 38 . SING C13 H6 no N 38 . 50457 2YQ 39 . SING C15 H7 no N 39 . 50457 2YQ 40 . SING C12 H8 no N 40 . 50457 2YQ 41 . SING C16 H9 no N 41 . 50457 2YQ 42 . SING C18 H10 no N 42 . 50457 2YQ 43 . SING C19 H11 no N 43 . 50457 2YQ 44 . SING C19 H12 no N 44 . 50457 2YQ 45 . SING C19 H13 no N 45 . 50457 2YQ 46 . SING N2 H14 no N 46 . 50457 2YQ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50457 _Sample.ID 1 _Sample.Name 15N_labelled_CAT_domain_talazoparib_complex _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human PARP-1 CAT domain' [U-15N] . . 1 $entity_1 . . 0.4 . . mM . . . . 50457 1 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50457 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50457 1 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50457 1 5 talazoparib 'natural abundance' . . 2 $entity_2YQ . . 0.2 . . mM . . . . 50457 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50457 _Sample_condition_list.ID 1 _Sample_condition_list.Name 25degC _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 50457 1 pH 7.0 . pH 50457 1 pressure 1 . atm 50457 1 temperature 298 . K 50457 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50457 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version '3.2 and 3.5' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50457 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50457 _Software.ID 2 _Software.Type . _Software.Name MddNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50457 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50457 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 8.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50457 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50457 _Software.ID 4 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50457 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50457 _Software.ID 5 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50457 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50457 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Avance_800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50457 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50457 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50457 1 3 '2D 1H-15N TROSY-based steady-state 15N{1H} NOE measurement' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50457 1 4 '2D 1H-15N TROSY-based 15N T1 measurement' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50457 1 5 '2D 1H-15N TROSY-based 15N T1rho measurement' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50457 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50457 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 50457 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 50457 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 50457 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50457 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Tal_NH_25 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 50457 1 2 '3D 15N-separated NOESY' . . . 50457 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 50457 1 5 $software_5 . . 50457 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 VAL H H 1 8.311 0.02 . 1 . . . . . 657 V HN . 50457 1 2 . 1 . 1 3 3 VAL N N 15 123.129 0.1 . 1 . . . . . 657 V N . 50457 1 3 . 1 . 1 4 4 ASN H H 1 8.662 0.02 . 1 . . . . . 658 N HN . 50457 1 4 . 1 . 1 4 4 ASN N N 15 124.632 0.1 . 1 . . . . . 658 N N . 50457 1 5 . 1 . 1 6 6 GLY H H 1 9.011 0.02 . 1 . . . . . 660 G HN . 50457 1 6 . 1 . 1 6 6 GLY N N 15 110.792 0.1 . 1 . . . . . 660 G N . 50457 1 7 . 1 . 1 7 7 THR H H 1 7.979 0.02 . 1 . . . . . 661 T HN . 50457 1 8 . 1 . 1 7 7 THR N N 15 113.404 0.1 . 1 . . . . . 661 T N . 50457 1 9 . 1 . 1 8 8 LYS H H 1 8.478 0.02 . 1 . . . . . 662 K HN . 50457 1 10 . 1 . 1 8 8 LYS N N 15 122.394 0.1 . 1 . . . . . 662 K N . 50457 1 11 . 1 . 1 9 9 SER H H 1 8.622 0.02 . 1 . . . . . 663 S HN . 50457 1 12 . 1 . 1 9 9 SER N N 15 117.285 0.1 . 1 . . . . . 663 S N . 50457 1 13 . 1 . 1 10 10 LYS H H 1 9.624 0.02 . 1 . . . . . 664 K HN . 50457 1 14 . 1 . 1 10 10 LYS N N 15 128.252 0.1 . 1 . . . . . 664 K N . 50457 1 15 . 1 . 1 11 11 LEU H H 1 8.497 0.02 . 1 . . . . . 665 L HN . 50457 1 16 . 1 . 1 11 11 LEU N N 15 123.091 0.1 . 1 . . . . . 665 L N . 50457 1 17 . 1 . 1 13 13 LYS H H 1 9.449 0.02 . 1 . . . . . 667 K HN . 50457 1 18 . 1 . 1 13 13 LYS N N 15 127.085 0.1 . 1 . . . . . 667 K N . 50457 1 19 . 1 . 1 15 15 VAL H H 1 7.149 0.02 . 1 . . . . . 669 V HN . 50457 1 20 . 1 . 1 15 15 VAL N N 15 114.813 0.1 . 1 . . . . . 669 V N . 50457 1 21 . 1 . 1 16 16 GLN H H 1 8.044 0.02 . 1 . . . . . 670 Q HN . 50457 1 22 . 1 . 1 16 16 GLN N N 15 119.801 0.1 . 1 . . . . . 670 Q N . 50457 1 23 . 1 . 1 17 17 ASP H H 1 8.501 0.02 . 1 . . . . . 671 D HN . 50457 1 24 . 1 . 1 17 17 ASP N N 15 116.898 0.1 . 1 . . . . . 671 D N . 50457 1 25 . 1 . 1 18 18 LEU H H 1 7.529 0.02 . 1 . . . . . 672 L HN . 50457 1 26 . 1 . 1 18 18 LEU N N 15 123.371 0.1 . 1 . . . . . 672 L N . 50457 1 27 . 1 . 1 19 19 ILE H H 1 8.244 0.02 . 1 . . . . . 673 I HN . 50457 1 28 . 1 . 1 19 19 ILE N N 15 119.420 0.1 . 1 . . . . . 673 I N . 50457 1 29 . 1 . 1 20 20 LYS H H 1 8.257 0.02 . 1 . . . . . 674 K HN . 50457 1 30 . 1 . 1 20 20 LYS N N 15 118.187 0.1 . 1 . . . . . 674 K N . 50457 1 31 . 1 . 1 21 21 MET H H 1 7.540 0.02 . 1 . . . . . 675 M HN . 50457 1 32 . 1 . 1 21 21 MET N N 15 116.351 0.1 . 1 . . . . . 675 M N . 50457 1 33 . 1 . 1 22 22 ILE H H 1 8.150 0.02 . 1 . . . . . 676 I HN . 50457 1 34 . 1 . 1 22 22 ILE N N 15 115.071 0.1 . 1 . . . . . 676 I N . 50457 1 35 . 1 . 1 23 23 PHE H H 1 7.517 0.02 . 1 . . . . . 677 F HN . 50457 1 36 . 1 . 1 23 23 PHE N N 15 117.343 0.1 . 1 . . . . . 677 F N . 50457 1 37 . 1 . 1 24 24 ASP H H 1 6.857 0.02 . 1 . . . . . 678 D HN . 50457 1 38 . 1 . 1 24 24 ASP N N 15 118.716 0.1 . 1 . . . . . 678 D N . 50457 1 39 . 1 . 1 25 25 VAL H H 1 8.716 0.02 . 1 . . . . . 679 V HN . 50457 1 40 . 1 . 1 25 25 VAL N N 15 129.618 0.1 . 1 . . . . . 679 V N . 50457 1 41 . 1 . 1 26 26 GLU H H 1 8.442 0.02 . 1 . . . . . 680 E HN . 50457 1 42 . 1 . 1 26 26 GLU N N 15 121.096 0.1 . 1 . . . . . 680 E N . 50457 1 43 . 1 . 1 27 27 SER H H 1 7.933 0.02 . 1 . . . . . 681 S HN . 50457 1 44 . 1 . 1 27 27 SER N N 15 117.150 0.1 . 1 . . . . . 681 S N . 50457 1 45 . 1 . 1 28 28 MET H H 1 7.532 0.02 . 1 . . . . . 682 M HN . 50457 1 46 . 1 . 1 28 28 MET N N 15 122.588 0.1 . 1 . . . . . 682 M N . 50457 1 47 . 1 . 1 29 29 LYS H H 1 8.017 0.02 . 1 . . . . . 683 K HN . 50457 1 48 . 1 . 1 29 29 LYS N N 15 117.944 0.1 . 1 . . . . . 683 K N . 50457 1 49 . 1 . 1 30 30 LYS H H 1 8.281 0.02 . 1 . . . . . 684 K HN . 50457 1 50 . 1 . 1 30 30 LYS N N 15 118.668 0.1 . 1 . . . . . 684 K N . 50457 1 51 . 1 . 1 31 31 ALA H H 1 7.588 0.02 . 1 . . . . . 685 A HN . 50457 1 52 . 1 . 1 31 31 ALA N N 15 120.975 0.1 . 1 . . . . . 685 A N . 50457 1 53 . 1 . 1 32 32 MET H H 1 7.427 0.02 . 1 . . . . . 686 M HN . 50457 1 54 . 1 . 1 32 32 MET N N 15 114.815 0.1 . 1 . . . . . 686 M N . 50457 1 55 . 1 . 1 33 33 VAL H H 1 8.432 0.02 . 1 . . . . . 687 V HN . 50457 1 56 . 1 . 1 33 33 VAL N N 15 120.214 0.1 . 1 . . . . . 687 V N . 50457 1 57 . 1 . 1 34 34 GLU H H 1 8.226 0.02 . 1 . . . . . 688 E HN . 50457 1 58 . 1 . 1 34 34 GLU N N 15 123.357 0.1 . 1 . . . . . 688 E N . 50457 1 59 . 1 . 1 35 35 TYR H H 1 7.474 0.02 . 1 . . . . . 689 Y HN . 50457 1 60 . 1 . 1 35 35 TYR N N 15 117.920 0.1 . 1 . . . . . 689 Y N . 50457 1 61 . 1 . 1 36 36 GLU H H 1 7.965 0.02 . 1 . . . . . 690 E HN . 50457 1 62 . 1 . 1 36 36 GLU N N 15 110.241 0.1 . 1 . . . . . 690 E N . 50457 1 63 . 1 . 1 37 37 ILE H H 1 7.474 0.02 . 1 . . . . . 691 I HN . 50457 1 64 . 1 . 1 37 37 ILE N N 15 118.382 0.1 . 1 . . . . . 691 I N . 50457 1 65 . 1 . 1 38 38 ASP H H 1 8.034 0.02 . 1 . . . . . 692 D HN . 50457 1 66 . 1 . 1 38 38 ASP N N 15 124.128 0.1 . 1 . . . . . 692 D N . 50457 1 67 . 1 . 1 39 39 LEU H H 1 8.221 0.02 . 1 . . . . . 693 L HN . 50457 1 68 . 1 . 1 39 39 LEU N N 15 127.830 0.1 . 1 . . . . . 693 L N . 50457 1 69 . 1 . 1 40 40 GLN H H 1 8.212 0.02 . 1 . . . . . 694 Q HN . 50457 1 70 . 1 . 1 40 40 GLN N N 15 116.285 0.1 . 1 . . . . . 694 Q N . 50457 1 71 . 1 . 1 41 41 LYS H H 1 7.113 0.02 . 1 . . . . . 695 K HN . 50457 1 72 . 1 . 1 41 41 LYS N N 15 117.725 0.1 . 1 . . . . . 695 K N . 50457 1 73 . 1 . 1 42 42 MET H H 1 8.451 0.02 . 1 . . . . . 696 M HN . 50457 1 74 . 1 . 1 42 42 MET N N 15 121.490 0.1 . 1 . . . . . 696 M N . 50457 1 75 . 1 . 1 44 44 LEU H H 1 8.225 0.02 . 1 . . . . . 698 L HN . 50457 1 76 . 1 . 1 44 44 LEU N N 15 120.623 0.1 . 1 . . . . . 698 L N . 50457 1 77 . 1 . 1 46 46 LYS H H 1 7.911 0.02 . 1 . . . . . 700 K HN . 50457 1 78 . 1 . 1 46 46 LYS N N 15 118.802 0.1 . 1 . . . . . 700 K N . 50457 1 79 . 1 . 1 47 47 LEU H H 1 7.318 0.02 . 1 . . . . . 701 L HN . 50457 1 80 . 1 . 1 47 47 LEU N N 15 122.116 0.1 . 1 . . . . . 701 L N . 50457 1 81 . 1 . 1 48 48 SER H H 1 8.182 0.02 . 1 . . . . . 702 S HN . 50457 1 82 . 1 . 1 48 48 SER N N 15 117.980 0.1 . 1 . . . . . 702 S N . 50457 1 83 . 1 . 1 49 49 LYS H H 1 9.069 0.02 . 1 . . . . . 703 K HN . 50457 1 84 . 1 . 1 49 49 LYS N N 15 125.982 0.1 . 1 . . . . . 703 K N . 50457 1 85 . 1 . 1 50 50 ARG H H 1 8.356 0.02 . 1 . . . . . 704 R HN . 50457 1 86 . 1 . 1 50 50 ARG N N 15 117.737 0.1 . 1 . . . . . 704 R N . 50457 1 87 . 1 . 1 51 51 GLN H H 1 7.601 0.02 . 1 . . . . . 705 Q HN . 50457 1 88 . 1 . 1 51 51 GLN N N 15 120.704 0.1 . 1 . . . . . 705 Q N . 50457 1 89 . 1 . 1 52 52 ILE H H 1 7.752 0.02 . 1 . . . . . 706 I HN . 50457 1 90 . 1 . 1 52 52 ILE N N 15 119.381 0.1 . 1 . . . . . 706 I N . 50457 1 91 . 1 . 1 53 53 GLN H H 1 8.565 0.02 . 1 . . . . . 707 Q HN . 50457 1 92 . 1 . 1 53 53 GLN N N 15 118.266 0.1 . 1 . . . . . 707 Q N . 50457 1 93 . 1 . 1 54 54 ALA H H 1 7.915 0.02 . 1 . . . . . 708 A HN . 50457 1 94 . 1 . 1 54 54 ALA N N 15 121.257 0.1 . 1 . . . . . 708 A N . 50457 1 95 . 1 . 1 55 55 ALA H H 1 8.203 0.02 . 1 . . . . . 709 A HN . 50457 1 96 . 1 . 1 55 55 ALA N N 15 123.258 0.1 . 1 . . . . . 709 A N . 50457 1 97 . 1 . 1 56 56 TYR H H 1 8.665 0.02 . 1 . . . . . 710 Y HN . 50457 1 98 . 1 . 1 56 56 TYR N N 15 120.868 0.1 . 1 . . . . . 710 Y N . 50457 1 99 . 1 . 1 57 57 SER H H 1 7.847 0.02 . 1 . . . . . 711 S HN . 50457 1 100 . 1 . 1 57 57 SER N N 15 113.065 0.1 . 1 . . . . . 711 S N . 50457 1 101 . 1 . 1 58 58 ILE H H 1 7.723 0.02 . 1 . . . . . 712 I HN . 50457 1 102 . 1 . 1 58 58 ILE N N 15 122.034 0.1 . 1 . . . . . 712 I N . 50457 1 103 . 1 . 1 59 59 LEU H H 1 8.225 0.02 . 1 . . . . . 713 L HN . 50457 1 104 . 1 . 1 59 59 LEU N N 15 119.229 0.1 . 1 . . . . . 713 L N . 50457 1 105 . 1 . 1 60 60 SER H H 1 8.604 0.02 . 1 . . . . . 714 S HN . 50457 1 106 . 1 . 1 60 60 SER N N 15 116.477 0.1 . 1 . . . . . 714 S N . 50457 1 107 . 1 . 1 61 61 GLU H H 1 8.056 0.02 . 1 . . . . . 715 E HN . 50457 1 108 . 1 . 1 61 61 GLU N N 15 124.446 0.1 . 1 . . . . . 715 E N . 50457 1 109 . 1 . 1 62 62 VAL H H 1 8.969 0.02 . 1 . . . . . 716 V HN . 50457 1 110 . 1 . 1 62 62 VAL N N 15 122.884 0.1 . 1 . . . . . 716 V N . 50457 1 111 . 1 . 1 63 63 GLN H H 1 8.472 0.02 . 1 . . . . . 717 Q HN . 50457 1 112 . 1 . 1 63 63 GLN N N 15 119.369 0.1 . 1 . . . . . 717 Q N . 50457 1 113 . 1 . 1 64 64 GLN H H 1 7.816 0.02 . 1 . . . . . 718 Q HN . 50457 1 114 . 1 . 1 64 64 GLN N N 15 119.083 0.1 . 1 . . . . . 718 Q N . 50457 1 115 . 1 . 1 65 65 ALA H H 1 8.119 0.02 . 1 . . . . . 719 A HN . 50457 1 116 . 1 . 1 65 65 ALA N N 15 123.314 0.1 . 1 . . . . . 719 A N . 50457 1 117 . 1 . 1 66 66 VAL H H 1 8.863 0.02 . 1 . . . . . 720 V HN . 50457 1 118 . 1 . 1 66 66 VAL N N 15 118.859 0.1 . 1 . . . . . 720 V N . 50457 1 119 . 1 . 1 67 67 SER H H 1 8.266 0.02 . 1 . . . . . 721 S HN . 50457 1 120 . 1 . 1 67 67 SER N N 15 116.383 0.1 . 1 . . . . . 721 S N . 50457 1 121 . 1 . 1 68 68 GLN H H 1 8.006 0.02 . 1 . . . . . 722 Q HN . 50457 1 122 . 1 . 1 68 68 GLN N N 15 117.865 0.1 . 1 . . . . . 722 Q N . 50457 1 123 . 1 . 1 69 69 GLY H H 1 7.758 0.02 . 1 . . . . . 723 G HN . 50457 1 124 . 1 . 1 69 69 GLY N N 15 108.947 0.1 . 1 . . . . . 723 G N . 50457 1 125 . 1 . 1 70 70 SER H H 1 8.281 0.02 . 1 . . . . . 724 S HN . 50457 1 126 . 1 . 1 70 70 SER N N 15 115.671 0.1 . 1 . . . . . 724 S N . 50457 1 127 . 1 . 1 71 71 SER H H 1 8.606 0.02 . 1 . . . . . 725 S HN . 50457 1 128 . 1 . 1 71 71 SER N N 15 116.924 0.1 . 1 . . . . . 725 S N . 50457 1 129 . 1 . 1 72 72 ASP H H 1 8.852 0.02 . 1 . . . . . 726 D HN . 50457 1 130 . 1 . 1 72 72 ASP N N 15 122.596 0.1 . 1 . . . . . 726 D N . 50457 1 131 . 1 . 1 73 73 SER H H 1 8.545 0.02 . 1 . . . . . 727 S HN . 50457 1 132 . 1 . 1 73 73 SER N N 15 115.209 0.1 . 1 . . . . . 727 S N . 50457 1 133 . 1 . 1 74 74 GLN H H 1 7.747 0.02 . 1 . . . . . 728 Q HN . 50457 1 134 . 1 . 1 74 74 GLN N N 15 123.404 0.1 . 1 . . . . . 728 Q N . 50457 1 135 . 1 . 1 75 75 ILE H H 1 7.933 0.02 . 1 . . . . . 729 I HN . 50457 1 136 . 1 . 1 75 75 ILE N N 15 119.667 0.1 . 1 . . . . . 729 I N . 50457 1 137 . 1 . 1 76 76 LEU H H 1 8.489 0.02 . 1 . . . . . 730 L HN . 50457 1 138 . 1 . 1 76 76 LEU N N 15 125.197 0.1 . 1 . . . . . 730 L N . 50457 1 139 . 1 . 1 77 77 ASP H H 1 7.777 0.02 . 1 . . . . . 731 D HN . 50457 1 140 . 1 . 1 77 77 ASP N N 15 118.729 0.1 . 1 . . . . . 731 D N . 50457 1 141 . 1 . 1 78 78 LEU H H 1 8.098 0.02 . 1 . . . . . 732 L HN . 50457 1 142 . 1 . 1 78 78 LEU N N 15 118.659 0.1 . 1 . . . . . 732 L N . 50457 1 143 . 1 . 1 79 79 SER H H 1 8.368 0.02 . 1 . . . . . 733 S HN . 50457 1 144 . 1 . 1 79 79 SER N N 15 115.100 0.1 . 1 . . . . . 733 S N . 50457 1 145 . 1 . 1 80 80 ASN H H 1 8.676 0.02 . 1 . . . . . 734 N HN . 50457 1 146 . 1 . 1 80 80 ASN N N 15 118.618 0.1 . 1 . . . . . 734 N N . 50457 1 147 . 1 . 1 81 81 ARG H H 1 8.384 0.02 . 1 . . . . . 735 R HN . 50457 1 148 . 1 . 1 81 81 ARG N N 15 121.920 0.1 . 1 . . . . . 735 R N . 50457 1 149 . 1 . 1 82 82 PHE H H 1 8.400 0.02 . 1 . . . . . 736 F HN . 50457 1 150 . 1 . 1 82 82 PHE N N 15 122.754 0.1 . 1 . . . . . 736 F N . 50457 1 151 . 1 . 1 83 83 TYR H H 1 8.213 0.02 . 1 . . . . . 737 Y HN . 50457 1 152 . 1 . 1 83 83 TYR N N 15 115.809 0.1 . 1 . . . . . 737 Y N . 50457 1 153 . 1 . 1 84 84 THR H H 1 7.823 0.02 . 1 . . . . . 738 T HN . 50457 1 154 . 1 . 1 84 84 THR N N 15 115.502 0.1 . 1 . . . . . 738 T N . 50457 1 155 . 1 . 1 85 85 LEU H H 1 7.236 0.02 . 1 . . . . . 739 L HN . 50457 1 156 . 1 . 1 85 85 LEU N N 15 122.510 0.1 . 1 . . . . . 739 L N . 50457 1 157 . 1 . 1 86 86 ILE H H 1 7.849 0.02 . 1 . . . . . 740 I HN . 50457 1 158 . 1 . 1 86 86 ILE N N 15 117.180 0.1 . 1 . . . . . 740 I N . 50457 1 159 . 1 . 1 88 88 HIS H H 1 9.138 0.02 . 1 . . . . . 742 H HN . 50457 1 160 . 1 . 1 88 88 HIS N N 15 123.275 0.1 . 1 . . . . . 742 H N . 50457 1 161 . 1 . 1 89 89 ASP H H 1 8.629 0.02 . 1 . . . . . 743 D HN . 50457 1 162 . 1 . 1 89 89 ASP N N 15 121.384 0.1 . 1 . . . . . 743 D N . 50457 1 163 . 1 . 1 90 90 PHE H H 1 8.560 0.02 . 1 . . . . . 744 F HN . 50457 1 164 . 1 . 1 90 90 PHE N N 15 122.786 0.1 . 1 . . . . . 744 F N . 50457 1 165 . 1 . 1 91 91 GLY H H 1 8.722 0.02 . 1 . . . . . 745 G HN . 50457 1 166 . 1 . 1 91 91 GLY N N 15 111.084 0.1 . 1 . . . . . 745 G N . 50457 1 167 . 1 . 1 92 92 MET H H 1 9.048 0.02 . 1 . . . . . 746 M HN . 50457 1 168 . 1 . 1 92 92 MET N N 15 124.816 0.1 . 1 . . . . . 746 M N . 50457 1 169 . 1 . 1 93 93 LYS H H 1 7.825 0.02 . 1 . . . . . 747 K HN . 50457 1 170 . 1 . 1 93 93 LYS N N 15 120.692 0.1 . 1 . . . . . 747 K N . 50457 1 171 . 1 . 1 94 94 LYS H H 1 8.193 0.02 . 1 . . . . . 748 K HN . 50457 1 172 . 1 . 1 94 94 LYS N N 15 122.095 0.1 . 1 . . . . . 748 K N . 50457 1 173 . 1 . 1 97 97 LEU H H 1 8.435 0.02 . 1 . . . . . 751 L HN . 50457 1 174 . 1 . 1 97 97 LEU N N 15 124.224 0.1 . 1 . . . . . 751 L N . 50457 1 175 . 1 . 1 98 98 LEU H H 1 7.917 0.02 . 1 . . . . . 752 L HN . 50457 1 176 . 1 . 1 98 98 LEU N N 15 124.061 0.1 . 1 . . . . . 752 L N . 50457 1 177 . 1 . 1 99 99 ASN H H 1 7.364 0.02 . 1 . . . . . 753 N HN . 50457 1 178 . 1 . 1 99 99 ASN N N 15 114.070 0.1 . 1 . . . . . 753 N N . 50457 1 179 . 1 . 1 100 100 ASN H H 1 7.450 0.02 . 1 . . . . . 754 N HN . 50457 1 180 . 1 . 1 100 100 ASN N N 15 111.888 0.1 . 1 . . . . . 754 N N . 50457 1 181 . 1 . 1 101 101 ALA H H 1 9.116 0.02 . 1 . . . . . 755 A HN . 50457 1 182 . 1 . 1 101 101 ALA N N 15 124.241 0.1 . 1 . . . . . 755 A N . 50457 1 183 . 1 . 1 102 102 ASP H H 1 8.417 0.02 . 1 . . . . . 756 D HN . 50457 1 184 . 1 . 1 102 102 ASP N N 15 118.312 0.1 . 1 . . . . . 756 D N . 50457 1 185 . 1 . 1 103 103 SER H H 1 8.367 0.02 . 1 . . . . . 757 S HN . 50457 1 186 . 1 . 1 103 103 SER N N 15 117.182 0.1 . 1 . . . . . 757 S N . 50457 1 187 . 1 . 1 104 104 VAL H H 1 7.431 0.02 . 1 . . . . . 758 V HN . 50457 1 188 . 1 . 1 104 104 VAL N N 15 122.330 0.1 . 1 . . . . . 758 V N . 50457 1 189 . 1 . 1 105 105 GLN H H 1 8.200 0.02 . 1 . . . . . 759 Q HN . 50457 1 190 . 1 . 1 105 105 GLN N N 15 118.613 0.1 . 1 . . . . . 759 Q N . 50457 1 191 . 1 . 1 106 106 ALA H H 1 8.062 0.02 . 1 . . . . . 760 A HN . 50457 1 192 . 1 . 1 106 106 ALA N N 15 120.134 0.1 . 1 . . . . . 760 A N . 50457 1 193 . 1 . 1 107 107 LYS H H 1 7.937 0.02 . 1 . . . . . 761 K HN . 50457 1 194 . 1 . 1 107 107 LYS N N 15 116.550 0.1 . 1 . . . . . 761 K N . 50457 1 195 . 1 . 1 108 108 ALA H H 1 8.652 0.02 . 1 . . . . . 762 A HN . 50457 1 196 . 1 . 1 108 108 ALA N N 15 125.220 0.1 . 1 . . . . . 762 A N . 50457 1 197 . 1 . 1 109 109 GLU H H 1 8.030 0.02 . 1 . . . . . 763 E HN . 50457 1 198 . 1 . 1 109 109 GLU N N 15 116.380 0.1 . 1 . . . . . 763 E N . 50457 1 199 . 1 . 1 110 110 MET H H 1 7.442 0.02 . 1 . . . . . 764 M HN . 50457 1 200 . 1 . 1 110 110 MET N N 15 119.030 0.1 . 1 . . . . . 764 M N . 50457 1 201 . 1 . 1 111 111 LEU H H 1 8.214 0.02 . 1 . . . . . 765 L HN . 50457 1 202 . 1 . 1 111 111 LEU N N 15 118.632 0.1 . 1 . . . . . 765 L N . 50457 1 203 . 1 . 1 112 112 ASP H H 1 8.447 0.02 . 1 . . . . . 766 D HN . 50457 1 204 . 1 . 1 112 112 ASP N N 15 119.243 0.1 . 1 . . . . . 766 D N . 50457 1 205 . 1 . 1 113 113 ASN H H 1 7.787 0.02 . 1 . . . . . 767 N HN . 50457 1 206 . 1 . 1 113 113 ASN N N 15 117.919 0.1 . 1 . . . . . 767 N N . 50457 1 207 . 1 . 1 114 114 LEU H H 1 9.099 0.02 . 1 . . . . . 768 L HN . 50457 1 208 . 1 . 1 114 114 LEU N N 15 120.269 0.1 . 1 . . . . . 768 L N . 50457 1 209 . 1 . 1 115 115 LEU H H 1 8.700 0.02 . 1 . . . . . 769 L HN . 50457 1 210 . 1 . 1 115 115 LEU N N 15 120.145 0.1 . 1 . . . . . 769 L N . 50457 1 211 . 1 . 1 116 116 ASP H H 1 7.314 0.02 . 1 . . . . . 770 D HN . 50457 1 212 . 1 . 1 116 116 ASP N N 15 119.648 0.1 . 1 . . . . . 770 D N . 50457 1 213 . 1 . 1 117 117 ILE H H 1 8.860 0.02 . 1 . . . . . 771 I HN . 50457 1 214 . 1 . 1 117 117 ILE N N 15 128.749 0.1 . 1 . . . . . 771 I N . 50457 1 215 . 1 . 1 118 118 GLU H H 1 8.771 0.02 . 1 . . . . . 772 E HN . 50457 1 216 . 1 . 1 118 118 GLU N N 15 122.042 0.1 . 1 . . . . . 772 E N . 50457 1 217 . 1 . 1 119 119 VAL H H 1 7.779 0.02 . 1 . . . . . 773 V HN . 50457 1 218 . 1 . 1 119 119 VAL N N 15 119.438 0.1 . 1 . . . . . 773 V N . 50457 1 219 . 1 . 1 120 120 ALA H H 1 8.067 0.02 . 1 . . . . . 774 A HN . 50457 1 220 . 1 . 1 120 120 ALA N N 15 122.601 0.1 . 1 . . . . . 774 A N . 50457 1 221 . 1 . 1 121 121 TYR H H 1 9.405 0.02 . 1 . . . . . 775 Y HN . 50457 1 222 . 1 . 1 121 121 TYR N N 15 118.285 0.1 . 1 . . . . . 775 Y N . 50457 1 223 . 1 . 1 122 122 SER H H 1 8.840 0.02 . 1 . . . . . 776 S HN . 50457 1 224 . 1 . 1 122 122 SER N N 15 115.255 0.1 . 1 . . . . . 776 S N . 50457 1 225 . 1 . 1 123 123 LEU H H 1 8.172 0.02 . 1 . . . . . 777 L HN . 50457 1 226 . 1 . 1 123 123 LEU N N 15 122.993 0.1 . 1 . . . . . 777 L N . 50457 1 227 . 1 . 1 124 124 LEU H H 1 7.938 0.02 . 1 . . . . . 778 L HN . 50457 1 228 . 1 . 1 124 124 LEU N N 15 119.828 0.1 . 1 . . . . . 778 L N . 50457 1 229 . 1 . 1 125 125 ARG H H 1 7.782 0.02 . 1 . . . . . 779 R HN . 50457 1 230 . 1 . 1 125 125 ARG N N 15 116.990 0.1 . 1 . . . . . 779 R N . 50457 1 231 . 1 . 1 126 126 GLY H H 1 7.765 0.02 . 1 . . . . . 780 G HN . 50457 1 232 . 1 . 1 126 126 GLY N N 15 108.085 0.1 . 1 . . . . . 780 G N . 50457 1 233 . 1 . 1 127 127 GLY H H 1 7.997 0.02 . 1 . . . . . 781 G HN . 50457 1 234 . 1 . 1 127 127 GLY N N 15 107.656 0.1 . 1 . . . . . 781 G N . 50457 1 235 . 1 . 1 128 128 SER H H 1 8.289 0.02 . 1 . . . . . 782 S HN . 50457 1 236 . 1 . 1 128 128 SER N N 15 115.178 0.1 . 1 . . . . . 782 S N . 50457 1 237 . 1 . 1 129 129 ASP H H 1 8.458 0.02 . 1 . . . . . 783 D HN . 50457 1 238 . 1 . 1 129 129 ASP N N 15 123.125 0.1 . 1 . . . . . 783 D N . 50457 1 239 . 1 . 1 130 130 ASP H H 1 8.181 0.02 . 1 . . . . . 784 D HN . 50457 1 240 . 1 . 1 130 130 ASP N N 15 120.561 0.1 . 1 . . . . . 784 D N . 50457 1 241 . 1 . 1 131 131 SER H H 1 8.622 0.02 . 1 . . . . . 785 S HN . 50457 1 242 . 1 . 1 131 131 SER N N 15 119.878 0.1 . 1 . . . . . 785 S N . 50457 1 243 . 1 . 1 132 132 SER H H 1 8.707 0.02 . 1 . . . . . 786 S HN . 50457 1 244 . 1 . 1 132 132 SER N N 15 117.369 0.1 . 1 . . . . . 786 S N . 50457 1 245 . 1 . 1 133 133 LYS H H 1 7.432 0.02 . 1 . . . . . 787 K HN . 50457 1 246 . 1 . 1 133 133 LYS N N 15 122.196 0.1 . 1 . . . . . 787 K N . 50457 1 247 . 1 . 1 134 134 ASP H H 1 9.001 0.02 . 1 . . . . . 788 D HN . 50457 1 248 . 1 . 1 134 134 ASP N N 15 125.761 0.1 . 1 . . . . . 788 D N . 50457 1 249 . 1 . 1 136 136 ILE H H 1 8.957 0.02 . 1 . . . . . 790 I HN . 50457 1 250 . 1 . 1 136 136 ILE N N 15 117.805 0.1 . 1 . . . . . 790 I N . 50457 1 251 . 1 . 1 137 137 ASP H H 1 7.333 0.02 . 1 . . . . . 791 D HN . 50457 1 252 . 1 . 1 137 137 ASP N N 15 121.308 0.1 . 1 . . . . . 791 D N . 50457 1 253 . 1 . 1 138 138 VAL H H 1 7.800 0.02 . 1 . . . . . 792 V HN . 50457 1 254 . 1 . 1 138 138 VAL N N 15 121.162 0.1 . 1 . . . . . 792 V N . 50457 1 255 . 1 . 1 139 139 ASN H H 1 8.022 0.02 . 1 . . . . . 793 N HN . 50457 1 256 . 1 . 1 139 139 ASN N N 15 118.918 0.1 . 1 . . . . . 793 N N . 50457 1 257 . 1 . 1 140 140 TYR H H 1 8.517 0.02 . 1 . . . . . 794 Y HN . 50457 1 258 . 1 . 1 140 140 TYR N N 15 119.011 0.1 . 1 . . . . . 794 Y N . 50457 1 259 . 1 . 1 141 141 GLU H H 1 8.265 0.02 . 1 . . . . . 795 E HN . 50457 1 260 . 1 . 1 141 141 GLU N N 15 120.801 0.1 . 1 . . . . . 795 E N . 50457 1 261 . 1 . 1 142 142 LYS H H 1 7.621 0.02 . 1 . . . . . 796 K HN . 50457 1 262 . 1 . 1 142 142 LYS N N 15 117.208 0.1 . 1 . . . . . 796 K N . 50457 1 263 . 1 . 1 143 143 LEU H H 1 7.389 0.02 . 1 . . . . . 797 L HN . 50457 1 264 . 1 . 1 143 143 LEU N N 15 114.063 0.1 . 1 . . . . . 797 L N . 50457 1 265 . 1 . 1 144 144 LYS H H 1 7.577 0.02 . 1 . . . . . 798 K HN . 50457 1 266 . 1 . 1 144 144 LYS N N 15 114.402 0.1 . 1 . . . . . 798 K N . 50457 1 267 . 1 . 1 145 145 THR H H 1 8.401 0.02 . 1 . . . . . 799 T HN . 50457 1 268 . 1 . 1 145 145 THR N N 15 114.503 0.1 . 1 . . . . . 799 T N . 50457 1 269 . 1 . 1 146 146 ASP H H 1 8.344 0.02 . 1 . . . . . 800 D HN . 50457 1 270 . 1 . 1 146 146 ASP N N 15 128.280 0.1 . 1 . . . . . 800 D N . 50457 1 271 . 1 . 1 147 147 ILE H H 1 8.147 0.02 . 1 . . . . . 801 I HN . 50457 1 272 . 1 . 1 147 147 ILE N N 15 125.876 0.1 . 1 . . . . . 801 I N . 50457 1 273 . 1 . 1 148 148 LYS H H 1 8.812 0.02 . 1 . . . . . 802 K HN . 50457 1 274 . 1 . 1 148 148 LYS N N 15 125.830 0.1 . 1 . . . . . 802 K N . 50457 1 275 . 1 . 1 149 149 VAL H H 1 9.220 0.02 . 1 . . . . . 803 V HN . 50457 1 276 . 1 . 1 149 149 VAL N N 15 123.541 0.1 . 1 . . . . . 803 V N . 50457 1 277 . 1 . 1 150 150 VAL H H 1 8.635 0.02 . 1 . . . . . 804 V HN . 50457 1 278 . 1 . 1 150 150 VAL N N 15 131.068 0.1 . 1 . . . . . 804 V N . 50457 1 279 . 1 . 1 151 151 ASP H H 1 8.812 0.02 . 1 . . . . . 805 D HN . 50457 1 280 . 1 . 1 151 151 ASP N N 15 128.433 0.1 . 1 . . . . . 805 D N . 50457 1 281 . 1 . 1 152 152 ARG H H 1 8.827 0.02 . 1 . . . . . 806 R HN . 50457 1 282 . 1 . 1 152 152 ARG N N 15 126.837 0.1 . 1 . . . . . 806 R N . 50457 1 283 . 1 . 1 153 153 ASP H H 1 8.511 0.02 . 1 . . . . . 807 D HN . 50457 1 284 . 1 . 1 153 153 ASP N N 15 117.450 0.1 . 1 . . . . . 807 D N . 50457 1 285 . 1 . 1 154 154 SER H H 1 7.674 0.02 . 1 . . . . . 808 S HN . 50457 1 286 . 1 . 1 154 154 SER N N 15 115.315 0.1 . 1 . . . . . 808 S N . 50457 1 287 . 1 . 1 155 155 GLU H H 1 9.020 0.02 . 1 . . . . . 809 E HN . 50457 1 288 . 1 . 1 155 155 GLU N N 15 123.589 0.1 . 1 . . . . . 809 E N . 50457 1 289 . 1 . 1 156 156 GLU H H 1 8.631 0.02 . 1 . . . . . 810 E HN . 50457 1 290 . 1 . 1 156 156 GLU N N 15 118.092 0.1 . 1 . . . . . 810 E N . 50457 1 291 . 1 . 1 157 157 ALA H H 1 7.426 0.02 . 1 . . . . . 811 A HN . 50457 1 292 . 1 . 1 157 157 ALA N N 15 119.441 0.1 . 1 . . . . . 811 A N . 50457 1 293 . 1 . 1 158 158 GLU H H 1 7.763 0.02 . 1 . . . . . 812 E HN . 50457 1 294 . 1 . 1 158 158 GLU N N 15 118.328 0.1 . 1 . . . . . 812 E N . 50457 1 295 . 1 . 1 159 159 ILE H H 1 8.072 0.02 . 1 . . . . . 813 I HN . 50457 1 296 . 1 . 1 159 159 ILE N N 15 120.450 0.1 . 1 . . . . . 813 I N . 50457 1 297 . 1 . 1 160 160 ILE H H 1 7.730 0.02 . 1 . . . . . 814 I HN . 50457 1 298 . 1 . 1 160 160 ILE N N 15 119.799 0.1 . 1 . . . . . 814 I N . 50457 1 299 . 1 . 1 161 161 ARG H H 1 8.865 0.02 . 1 . . . . . 815 R HN . 50457 1 300 . 1 . 1 161 161 ARG N N 15 118.338 0.1 . 1 . . . . . 815 R N . 50457 1 301 . 1 . 1 162 162 LYS H H 1 8.227 0.02 . 1 . . . . . 816 K HN . 50457 1 302 . 1 . 1 162 162 LYS N N 15 121.805 0.1 . 1 . . . . . 816 K N . 50457 1 303 . 1 . 1 163 163 TYR H H 1 8.450 0.02 . 1 . . . . . 817 Y HN . 50457 1 304 . 1 . 1 163 163 TYR N N 15 122.281 0.1 . 1 . . . . . 817 Y N . 50457 1 305 . 1 . 1 164 164 VAL H H 1 8.405 0.02 . 1 . . . . . 818 V HN . 50457 1 306 . 1 . 1 164 164 VAL N N 15 119.568 0.1 . 1 . . . . . 818 V N . 50457 1 307 . 1 . 1 165 165 LYS H H 1 8.115 0.02 . 1 . . . . . 819 K HN . 50457 1 308 . 1 . 1 165 165 LYS N N 15 117.151 0.1 . 1 . . . . . 819 K N . 50457 1 309 . 1 . 1 166 166 ASN H H 1 9.196 0.02 . 1 . . . . . 820 N HN . 50457 1 310 . 1 . 1 166 166 ASN N N 15 115.324 0.1 . 1 . . . . . 820 N N . 50457 1 311 . 1 . 1 167 167 THR H H 1 7.416 0.02 . 1 . . . . . 821 T HN . 50457 1 312 . 1 . 1 167 167 THR N N 15 106.271 0.1 . 1 . . . . . 821 T N . 50457 1 313 . 1 . 1 168 168 HIS H H 1 6.961 0.02 . 1 . . . . . 822 H HN . 50457 1 314 . 1 . 1 168 168 HIS N N 15 120.327 0.1 . 1 . . . . . 822 H N . 50457 1 315 . 1 . 1 174 174 ALA H H 1 8.474 0.02 . 1 . . . . . 828 A HN . 50457 1 316 . 1 . 1 174 174 ALA N N 15 121.517 0.1 . 1 . . . . . 828 A N . 50457 1 317 . 1 . 1 175 175 TYR H H 1 6.877 0.02 . 1 . . . . . 829 Y HN . 50457 1 318 . 1 . 1 175 175 TYR N N 15 110.844 0.1 . 1 . . . . . 829 Y N . 50457 1 319 . 1 . 1 176 176 ASP H H 1 8.176 0.02 . 1 . . . . . 830 D HN . 50457 1 320 . 1 . 1 176 176 ASP N N 15 118.676 0.1 . 1 . . . . . 830 D N . 50457 1 321 . 1 . 1 178 178 GLU H H 1 8.651 0.02 . 1 . . . . . 832 E HN . 50457 1 322 . 1 . 1 178 178 GLU N N 15 121.982 0.1 . 1 . . . . . 832 E N . 50457 1 323 . 1 . 1 179 179 VAL H H 1 9.123 0.02 . 1 . . . . . 833 V HN . 50457 1 324 . 1 . 1 179 179 VAL N N 15 125.884 0.1 . 1 . . . . . 833 V N . 50457 1 325 . 1 . 1 180 180 ILE H H 1 8.962 0.02 . 1 . . . . . 834 I HN . 50457 1 326 . 1 . 1 180 180 ILE N N 15 129.366 0.1 . 1 . . . . . 834 I N . 50457 1 327 . 1 . 1 181 181 ASP H H 1 7.229 0.02 . 1 . . . . . 835 D HN . 50457 1 328 . 1 . 1 181 181 ASP N N 15 114.390 0.1 . 1 . . . . . 835 D N . 50457 1 329 . 1 . 1 182 182 ILE H H 1 8.610 0.02 . 1 . . . . . 836 I HN . 50457 1 330 . 1 . 1 182 182 ILE N N 15 119.873 0.1 . 1 . . . . . 836 I N . 50457 1 331 . 1 . 1 183 183 PHE H H 1 9.396 0.02 . 1 . . . . . 837 F HN . 50457 1 332 . 1 . 1 183 183 PHE N N 15 123.681 0.1 . 1 . . . . . 837 F N . 50457 1 333 . 1 . 1 184 184 LYS H H 1 9.640 0.02 . 1 . . . . . 838 K HN . 50457 1 334 . 1 . 1 184 184 LYS N N 15 126.519 0.1 . 1 . . . . . 838 K N . 50457 1 335 . 1 . 1 185 185 ILE H H 1 7.897 0.02 . 1 . . . . . 839 I HN . 50457 1 336 . 1 . 1 185 185 ILE N N 15 120.042 0.1 . 1 . . . . . 839 I N . 50457 1 337 . 1 . 1 186 186 GLU H H 1 8.124 0.02 . 1 . . . . . 840 E HN . 50457 1 338 . 1 . 1 186 186 GLU N N 15 119.462 0.1 . 1 . . . . . 840 E N . 50457 1 339 . 1 . 1 187 187 ARG H H 1 9.750 0.02 . 1 . . . . . 841 R HN . 50457 1 340 . 1 . 1 187 187 ARG N N 15 131.579 0.1 . 1 . . . . . 841 R N . 50457 1 341 . 1 . 1 188 188 GLU H H 1 8.939 0.02 . 1 . . . . . 842 E HN . 50457 1 342 . 1 . 1 188 188 GLU N N 15 128.291 0.1 . 1 . . . . . 842 E N . 50457 1 343 . 1 . 1 189 189 GLY H H 1 9.164 0.02 . 1 . . . . . 843 G HN . 50457 1 344 . 1 . 1 189 189 GLY N N 15 114.736 0.1 . 1 . . . . . 843 G N . 50457 1 345 . 1 . 1 190 190 GLU H H 1 7.822 0.02 . 1 . . . . . 844 E HN . 50457 1 346 . 1 . 1 190 190 GLU N N 15 124.699 0.1 . 1 . . . . . 844 E N . 50457 1 347 . 1 . 1 191 191 CYS H H 1 9.148 0.02 . 1 . . . . . 845 C HN . 50457 1 348 . 1 . 1 191 191 CYS N N 15 118.064 0.1 . 1 . . . . . 845 C N . 50457 1 349 . 1 . 1 192 192 GLN H H 1 8.431 0.02 . 1 . . . . . 846 Q HN . 50457 1 350 . 1 . 1 192 192 GLN N N 15 119.782 0.1 . 1 . . . . . 846 Q N . 50457 1 351 . 1 . 1 193 193 ARG H H 1 7.600 0.02 . 1 . . . . . 847 R HN . 50457 1 352 . 1 . 1 193 193 ARG N N 15 120.424 0.1 . 1 . . . . . 847 R N . 50457 1 353 . 1 . 1 194 194 TYR H H 1 8.212 0.02 . 1 . . . . . 848 Y HN . 50457 1 354 . 1 . 1 194 194 TYR N N 15 118.307 0.1 . 1 . . . . . 848 Y N . 50457 1 355 . 1 . 1 195 195 LYS H H 1 7.248 0.02 . 1 . . . . . 849 K HN . 50457 1 356 . 1 . 1 195 195 LYS N N 15 118.274 0.1 . 1 . . . . . 849 K N . 50457 1 357 . 1 . 1 197 197 PHE H H 1 8.105 0.02 . 1 . . . . . 851 F HN . 50457 1 358 . 1 . 1 197 197 PHE N N 15 115.580 0.1 . 1 . . . . . 851 F N . 50457 1 359 . 1 . 1 198 198 LYS H H 1 7.349 0.02 . 1 . . . . . 852 K HN . 50457 1 360 . 1 . 1 198 198 LYS N N 15 119.909 0.1 . 1 . . . . . 852 K N . 50457 1 361 . 1 . 1 199 199 GLN H H 1 7.013 0.02 . 1 . . . . . 853 Q HN . 50457 1 362 . 1 . 1 199 199 GLN N N 15 110.713 0.1 . 1 . . . . . 853 Q N . 50457 1 363 . 1 . 1 200 200 LEU H H 1 7.582 0.02 . 1 . . . . . 854 L HN . 50457 1 364 . 1 . 1 200 200 LEU N N 15 123.495 0.1 . 1 . . . . . 854 L N . 50457 1 365 . 1 . 1 201 201 HIS H H 1 7.808 0.02 . 1 . . . . . 855 H HN . 50457 1 366 . 1 . 1 201 201 HIS N N 15 118.344 0.1 . 1 . . . . . 855 H N . 50457 1 367 . 1 . 1 202 202 ASN H H 1 8.645 0.02 . 1 . . . . . 856 N HN . 50457 1 368 . 1 . 1 202 202 ASN N N 15 112.764 0.1 . 1 . . . . . 856 N N . 50457 1 369 . 1 . 1 203 203 ARG H H 1 7.990 0.02 . 1 . . . . . 857 R HN . 50457 1 370 . 1 . 1 203 203 ARG N N 15 118.773 0.1 . 1 . . . . . 857 R N . 50457 1 371 . 1 . 1 204 204 ARG H H 1 8.363 0.02 . 1 . . . . . 858 R HN . 50457 1 372 . 1 . 1 204 204 ARG N N 15 122.272 0.1 . 1 . . . . . 858 R N . 50457 1 373 . 1 . 1 205 205 LEU H H 1 8.175 0.02 . 1 . . . . . 859 L HN . 50457 1 374 . 1 . 1 205 205 LEU N N 15 125.495 0.1 . 1 . . . . . 859 L N . 50457 1 375 . 1 . 1 206 206 LEU H H 1 8.792 0.02 . 1 . . . . . 860 L HN . 50457 1 376 . 1 . 1 206 206 LEU N N 15 126.462 0.1 . 1 . . . . . 860 L N . 50457 1 377 . 1 . 1 207 207 TRP H H 1 8.632 0.02 . 1 . . . . . 861 W HN . 50457 1 378 . 1 . 1 207 207 TRP N N 15 119.578 0.1 . 1 . . . . . 861 W N . 50457 1 379 . 1 . 1 208 208 HIS H H 1 8.975 0.02 . 1 . . . . . 862 H HN . 50457 1 380 . 1 . 1 208 208 HIS N N 15 115.917 0.1 . 1 . . . . . 862 H N . 50457 1 381 . 1 . 1 210 210 SER H H 1 7.310 0.02 . 1 . . . . . 864 S HN . 50457 1 382 . 1 . 1 210 210 SER N N 15 111.890 0.1 . 1 . . . . . 864 S N . 50457 1 383 . 1 . 1 211 211 ARG H H 1 7.713 0.02 . 1 . . . . . 865 R HN . 50457 1 384 . 1 . 1 211 211 ARG N N 15 121.482 0.1 . 1 . . . . . 865 R N . 50457 1 385 . 1 . 1 212 212 THR H H 1 9.442 0.02 . 1 . . . . . 866 T HN . 50457 1 386 . 1 . 1 212 212 THR N N 15 120.153 0.1 . 1 . . . . . 866 T N . 50457 1 387 . 1 . 1 213 213 THR H H 1 7.604 0.02 . 1 . . . . . 867 T HN . 50457 1 388 . 1 . 1 213 213 THR N N 15 106.810 0.1 . 1 . . . . . 867 T N . 50457 1 389 . 1 . 1 214 214 ASN H H 1 7.995 0.02 . 1 . . . . . 868 N HN . 50457 1 390 . 1 . 1 214 214 ASN N N 15 117.564 0.1 . 1 . . . . . 868 N N . 50457 1 391 . 1 . 1 215 215 PHE H H 1 7.888 0.02 . 1 . . . . . 869 F HN . 50457 1 392 . 1 . 1 215 215 PHE N N 15 118.591 0.1 . 1 . . . . . 869 F N . 50457 1 393 . 1 . 1 216 216 ALA H H 1 9.282 0.02 . 1 . . . . . 870 A HN . 50457 1 394 . 1 . 1 216 216 ALA N N 15 125.528 0.1 . 1 . . . . . 870 A N . 50457 1 395 . 1 . 1 217 217 GLY H H 1 9.016 0.02 . 1 . . . . . 871 G HN . 50457 1 396 . 1 . 1 217 217 GLY N N 15 109.721 0.1 . 1 . . . . . 871 G N . 50457 1 397 . 1 . 1 218 218 ILE H H 1 8.492 0.02 . 1 . . . . . 872 I HN . 50457 1 398 . 1 . 1 218 218 ILE N N 15 122.224 0.1 . 1 . . . . . 872 I N . 50457 1 399 . 1 . 1 219 219 LEU H H 1 8.704 0.02 . 1 . . . . . 873 L HN . 50457 1 400 . 1 . 1 219 219 LEU N N 15 117.192 0.1 . 1 . . . . . 873 L N . 50457 1 401 . 1 . 1 220 220 SER H H 1 8.063 0.02 . 1 . . . . . 874 S HN . 50457 1 402 . 1 . 1 220 220 SER N N 15 112.403 0.1 . 1 . . . . . 874 S N . 50457 1 403 . 1 . 1 221 221 GLN H H 1 8.531 0.02 . 1 . . . . . 875 Q HN . 50457 1 404 . 1 . 1 221 221 GLN N N 15 116.696 0.1 . 1 . . . . . 875 Q N . 50457 1 405 . 1 . 1 222 222 GLY H H 1 8.071 0.02 . 1 . . . . . 876 G HN . 50457 1 406 . 1 . 1 222 222 GLY N N 15 114.021 0.1 . 1 . . . . . 876 G N . 50457 1 407 . 1 . 1 223 223 LEU H H 1 8.579 0.02 . 1 . . . . . 877 L HN . 50457 1 408 . 1 . 1 223 223 LEU N N 15 117.435 0.1 . 1 . . . . . 877 L N . 50457 1 409 . 1 . 1 224 224 ARG H H 1 8.587 0.02 . 1 . . . . . 878 R HN . 50457 1 410 . 1 . 1 224 224 ARG N N 15 125.775 0.1 . 1 . . . . . 878 R N . 50457 1 411 . 1 . 1 225 225 ILE H H 1 7.793 0.02 . 1 . . . . . 879 I HN . 50457 1 412 . 1 . 1 225 225 ILE N N 15 119.960 0.1 . 1 . . . . . 879 I N . 50457 1 413 . 1 . 1 226 226 ALA H H 1 8.541 0.02 . 1 . . . . . 880 A HN . 50457 1 414 . 1 . 1 226 226 ALA N N 15 131.584 0.1 . 1 . . . . . 880 A N . 50457 1 415 . 1 . 1 229 229 GLU H H 1 9.414 0.02 . 1 . . . . . 883 E HN . 50457 1 416 . 1 . 1 229 229 GLU N N 15 113.669 0.1 . 1 . . . . . 883 E N . 50457 1 417 . 1 . 1 230 230 ALA H H 1 7.197 0.02 . 1 . . . . . 884 A HN . 50457 1 418 . 1 . 1 230 230 ALA N N 15 120.174 0.1 . 1 . . . . . 884 A N . 50457 1 419 . 1 . 1 234 234 GLY H H 1 8.691 0.02 . 1 . . . . . 888 G HN . 50457 1 420 . 1 . 1 234 234 GLY N N 15 113.520 0.1 . 1 . . . . . 888 G N . 50457 1 421 . 1 . 1 235 235 TYR H H 1 7.342 0.02 . 1 . . . . . 889 Y HN . 50457 1 422 . 1 . 1 235 235 TYR N N 15 116.212 0.1 . 1 . . . . . 889 Y N . 50457 1 423 . 1 . 1 236 236 MET H H 1 9.527 0.02 . 1 . . . . . 890 M HN . 50457 1 424 . 1 . 1 236 236 MET N N 15 127.886 0.1 . 1 . . . . . 890 M N . 50457 1 425 . 1 . 1 237 237 PHE H H 1 8.128 0.02 . 1 . . . . . 891 F HN . 50457 1 426 . 1 . 1 237 237 PHE N N 15 113.575 0.1 . 1 . . . . . 891 F N . 50457 1 427 . 1 . 1 238 238 GLY H H 1 7.534 0.02 . 1 . . . . . 892 G HN . 50457 1 428 . 1 . 1 238 238 GLY N N 15 104.278 0.1 . 1 . . . . . 892 G N . 50457 1 429 . 1 . 1 239 239 LYS H H 1 8.878 0.02 . 1 . . . . . 893 K HN . 50457 1 430 . 1 . 1 239 239 LYS N N 15 120.741 0.1 . 1 . . . . . 893 K N . 50457 1 431 . 1 . 1 240 240 GLY H H 1 6.939 0.02 . 1 . . . . . 894 G HN . 50457 1 432 . 1 . 1 240 240 GLY N N 15 110.640 0.1 . 1 . . . . . 894 G N . 50457 1 433 . 1 . 1 242 242 TYR H H 1 8.948 0.02 . 1 . . . . . 896 Y HN . 50457 1 434 . 1 . 1 242 242 TYR N N 15 127.295 0.1 . 1 . . . . . 896 Y N . 50457 1 435 . 1 . 1 243 243 PHE H H 1 10.132 0.02 . 1 . . . . . 897 F HN . 50457 1 436 . 1 . 1 243 243 PHE N N 15 117.334 0.1 . 1 . . . . . 897 F N . 50457 1 437 . 1 . 1 244 244 ALA H H 1 9.324 0.02 . 1 . . . . . 898 A HN . 50457 1 438 . 1 . 1 244 244 ALA N N 15 120.196 0.1 . 1 . . . . . 898 A N . 50457 1 439 . 1 . 1 245 245 ASP H H 1 9.118 0.02 . 1 . . . . . 899 D HN . 50457 1 440 . 1 . 1 245 245 ASP N N 15 116.165 0.1 . 1 . . . . . 899 D N . 50457 1 441 . 1 . 1 247 247 VAL H H 1 8.296 0.02 . 1 . . . . . 901 V HN . 50457 1 442 . 1 . 1 247 247 VAL N N 15 126.907 0.1 . 1 . . . . . 901 V N . 50457 1 443 . 1 . 1 248 248 SER H H 1 6.781 0.02 . 1 . . . . . 902 S HN . 50457 1 444 . 1 . 1 248 248 SER N N 15 113.124 0.1 . 1 . . . . . 902 S N . 50457 1 445 . 1 . 1 249 249 LYS H H 1 6.989 0.02 . 1 . . . . . 903 K HN . 50457 1 446 . 1 . 1 249 249 LYS N N 15 120.721 0.1 . 1 . . . . . 903 K N . 50457 1 447 . 1 . 1 250 250 SER H H 1 6.618 0.02 . 1 . . . . . 904 S HN . 50457 1 448 . 1 . 1 250 250 SER N N 15 113.062 0.1 . 1 . . . . . 904 S N . 50457 1 449 . 1 . 1 251 251 ALA H H 1 9.026 0.02 . 1 . . . . . 905 A HN . 50457 1 450 . 1 . 1 251 251 ALA N N 15 124.490 0.1 . 1 . . . . . 905 A N . 50457 1 451 . 1 . 1 252 252 ASN H H 1 7.285 0.02 . 1 . . . . . 906 N HN . 50457 1 452 . 1 . 1 252 252 ASN N N 15 116.902 0.1 . 1 . . . . . 906 N N . 50457 1 453 . 1 . 1 253 253 TYR H H 1 7.447 0.02 . 1 . . . . . 907 Y HN . 50457 1 454 . 1 . 1 253 253 TYR N N 15 116.133 0.1 . 1 . . . . . 907 Y N . 50457 1 455 . 1 . 1 254 254 CYS H H 1 7.382 0.02 . 1 . . . . . 908 C HN . 50457 1 456 . 1 . 1 254 254 CYS N N 15 117.248 0.1 . 1 . . . . . 908 C N . 50457 1 457 . 1 . 1 255 255 HIS H H 1 7.386 0.02 . 1 . . . . . 909 H HN . 50457 1 458 . 1 . 1 255 255 HIS N N 15 112.362 0.1 . 1 . . . . . 909 H N . 50457 1 459 . 1 . 1 256 256 THR H H 1 7.229 0.02 . 1 . . . . . 910 T HN . 50457 1 460 . 1 . 1 256 256 THR N N 15 107.597 0.1 . 1 . . . . . 910 T N . 50457 1 461 . 1 . 1 257 257 SER H H 1 7.982 0.02 . 1 . . . . . 911 S HN . 50457 1 462 . 1 . 1 257 257 SER N N 15 112.988 0.1 . 1 . . . . . 911 S N . 50457 1 463 . 1 . 1 258 258 GLN H H 1 8.375 0.02 . 1 . . . . . 912 Q HN . 50457 1 464 . 1 . 1 258 258 GLN N N 15 119.198 0.1 . 1 . . . . . 912 Q N . 50457 1 465 . 1 . 1 259 259 GLY H H 1 8.064 0.02 . 1 . . . . . 913 G HN . 50457 1 466 . 1 . 1 259 259 GLY N N 15 104.246 0.1 . 1 . . . . . 913 G N . 50457 1 467 . 1 . 1 260 260 ASP H H 1 7.222 0.02 . 1 . . . . . 914 D HN . 50457 1 468 . 1 . 1 260 260 ASP N N 15 119.419 0.1 . 1 . . . . . 914 D N . 50457 1 469 . 1 . 1 262 262 ILE H H 1 7.767 0.02 . 1 . . . . . 916 I HN . 50457 1 470 . 1 . 1 262 262 ILE N N 15 121.999 0.1 . 1 . . . . . 916 I N . 50457 1 471 . 1 . 1 263 263 GLY H H 1 9.091 0.02 . 1 . . . . . 917 G HN . 50457 1 472 . 1 . 1 263 263 GLY N N 15 113.650 0.1 . 1 . . . . . 917 G N . 50457 1 473 . 1 . 1 264 264 LEU H H 1 9.577 0.02 . 1 . . . . . 918 L HN . 50457 1 474 . 1 . 1 264 264 LEU N N 15 120.907 0.1 . 1 . . . . . 918 L N . 50457 1 475 . 1 . 1 265 265 ILE H H 1 8.393 0.02 . 1 . . . . . 919 I HN . 50457 1 476 . 1 . 1 265 265 ILE N N 15 115.800 0.1 . 1 . . . . . 919 I N . 50457 1 477 . 1 . 1 267 267 LEU H H 1 8.874 0.02 . 1 . . . . . 921 L HN . 50457 1 478 . 1 . 1 267 267 LEU N N 15 118.316 0.1 . 1 . . . . . 921 L N . 50457 1 479 . 1 . 1 268 268 GLY H H 1 9.541 0.02 . 1 . . . . . 922 G HN . 50457 1 480 . 1 . 1 268 268 GLY N N 15 109.870 0.1 . 1 . . . . . 922 G N . 50457 1 481 . 1 . 1 269 269 GLU H H 1 8.861 0.02 . 1 . . . . . 923 E HN . 50457 1 482 . 1 . 1 269 269 GLU N N 15 126.217 0.1 . 1 . . . . . 923 E N . 50457 1 483 . 1 . 1 270 270 VAL H H 1 8.815 0.02 . 1 . . . . . 924 V HN . 50457 1 484 . 1 . 1 270 270 VAL N N 15 127.547 0.1 . 1 . . . . . 924 V N . 50457 1 485 . 1 . 1 271 271 ALA H H 1 8.194 0.02 . 1 . . . . . 925 A HN . 50457 1 486 . 1 . 1 271 271 ALA N N 15 130.539 0.1 . 1 . . . . . 925 A N . 50457 1 487 . 1 . 1 272 272 LEU H H 1 7.653 0.02 . 1 . . . . . 926 L HN . 50457 1 488 . 1 . 1 272 272 LEU N N 15 123.587 0.1 . 1 . . . . . 926 L N . 50457 1 489 . 1 . 1 273 273 GLY H H 1 7.316 0.02 . 1 . . . . . 927 G HN . 50457 1 490 . 1 . 1 273 273 GLY N N 15 104.419 0.1 . 1 . . . . . 927 G N . 50457 1 491 . 1 . 1 274 274 ASN H H 1 11.675 0.02 . 1 . . . . . 928 N HN . 50457 1 492 . 1 . 1 274 274 ASN N N 15 128.196 0.1 . 1 . . . . . 928 N N . 50457 1 493 . 1 . 1 275 275 MET H H 1 8.886 0.02 . 1 . . . . . 929 M HN . 50457 1 494 . 1 . 1 275 275 MET N N 15 125.933 0.1 . 1 . . . . . 929 M N . 50457 1 495 . 1 . 1 276 276 TYR H H 1 9.736 0.02 . 1 . . . . . 930 Y HN . 50457 1 496 . 1 . 1 276 276 TYR N N 15 128.578 0.1 . 1 . . . . . 930 Y N . 50457 1 497 . 1 . 1 277 277 GLU H H 1 8.740 0.02 . 1 . . . . . 931 E HN . 50457 1 498 . 1 . 1 277 277 GLU N N 15 128.471 0.1 . 1 . . . . . 931 E N . 50457 1 499 . 1 . 1 278 278 LEU H H 1 8.894 0.02 . 1 . . . . . 932 L HN . 50457 1 500 . 1 . 1 278 278 LEU N N 15 125.130 0.1 . 1 . . . . . 932 L N . 50457 1 501 . 1 . 1 279 279 LYS H H 1 8.756 0.02 . 1 . . . . . 933 K HN . 50457 1 502 . 1 . 1 279 279 LYS N N 15 117.937 0.1 . 1 . . . . . 933 K N . 50457 1 503 . 1 . 1 280 280 HIS H H 1 7.248 0.02 . 1 . . . . . 934 H HN . 50457 1 504 . 1 . 1 280 280 HIS N N 15 112.928 0.1 . 1 . . . . . 934 H N . 50457 1 505 . 1 . 1 281 281 ALA H H 1 8.492 0.02 . 1 . . . . . 935 A HN . 50457 1 506 . 1 . 1 281 281 ALA N N 15 122.403 0.1 . 1 . . . . . 935 A N . 50457 1 507 . 1 . 1 282 282 SER H H 1 7.809 0.02 . 1 . . . . . 936 S HN . 50457 1 508 . 1 . 1 282 282 SER N N 15 116.343 0.1 . 1 . . . . . 936 S N . 50457 1 509 . 1 . 1 284 284 ILE H H 1 7.003 0.02 . 1 . . . . . 938 I HN . 50457 1 510 . 1 . 1 284 284 ILE N N 15 127.703 0.1 . 1 . . . . . 938 I N . 50457 1 511 . 1 . 1 286 286 LYS H H 1 7.432 0.02 . 1 . . . . . 940 K HN . 50457 1 512 . 1 . 1 286 286 LYS N N 15 120.501 0.1 . 1 . . . . . 940 K N . 50457 1 513 . 1 . 1 287 287 LEU H H 1 8.752 0.02 . 1 . . . . . 941 L HN . 50457 1 514 . 1 . 1 287 287 LEU N N 15 125.622 0.1 . 1 . . . . . 941 L N . 50457 1 515 . 1 . 1 289 289 LYS H H 1 8.199 0.02 . 1 . . . . . 943 K HN . 50457 1 516 . 1 . 1 289 289 LYS N N 15 121.817 0.1 . 1 . . . . . 943 K N . 50457 1 517 . 1 . 1 290 290 GLY H H 1 8.770 0.02 . 1 . . . . . 944 G HN . 50457 1 518 . 1 . 1 290 290 GLY N N 15 113.676 0.1 . 1 . . . . . 944 G N . 50457 1 519 . 1 . 1 291 291 LYS H H 1 7.532 0.02 . 1 . . . . . 945 K HN . 50457 1 520 . 1 . 1 291 291 LYS N N 15 116.480 0.1 . 1 . . . . . 945 K N . 50457 1 521 . 1 . 1 292 292 HIS H H 1 9.534 0.02 . 1 . . . . . 946 H HN . 50457 1 522 . 1 . 1 292 292 HIS N N 15 117.487 0.1 . 1 . . . . . 946 H N . 50457 1 523 . 1 . 1 293 293 SER H H 1 8.229 0.02 . 1 . . . . . 947 S HN . 50457 1 524 . 1 . 1 293 293 SER N N 15 113.694 0.1 . 1 . . . . . 947 S N . 50457 1 525 . 1 . 1 294 294 VAL H H 1 9.191 0.02 . 1 . . . . . 948 V HN . 50457 1 526 . 1 . 1 294 294 VAL N N 15 120.561 0.1 . 1 . . . . . 948 V N . 50457 1 527 . 1 . 1 295 295 LYS H H 1 8.073 0.02 . 1 . . . . . 949 K HN . 50457 1 528 . 1 . 1 295 295 LYS N N 15 125.751 0.1 . 1 . . . . . 949 K N . 50457 1 529 . 1 . 1 296 296 GLY H H 1 9.287 0.02 . 1 . . . . . 950 G HN . 50457 1 530 . 1 . 1 296 296 GLY N N 15 115.662 0.1 . 1 . . . . . 950 G N . 50457 1 531 . 1 . 1 297 297 LEU H H 1 8.425 0.02 . 1 . . . . . 951 L HN . 50457 1 532 . 1 . 1 297 297 LEU N N 15 124.874 0.1 . 1 . . . . . 951 L N . 50457 1 533 . 1 . 1 298 298 GLY H H 1 9.061 0.02 . 1 . . . . . 952 G HN . 50457 1 534 . 1 . 1 298 298 GLY N N 15 109.416 0.1 . 1 . . . . . 952 G N . 50457 1 535 . 1 . 1 299 299 LYS H H 1 7.812 0.02 . 1 . . . . . 953 K HN . 50457 1 536 . 1 . 1 299 299 LYS N N 15 121.174 0.1 . 1 . . . . . 953 K N . 50457 1 537 . 1 . 1 300 300 THR H H 1 7.624 0.02 . 1 . . . . . 954 T HN . 50457 1 538 . 1 . 1 300 300 THR N N 15 116.254 0.1 . 1 . . . . . 954 T N . 50457 1 539 . 1 . 1 301 301 THR H H 1 9.309 0.02 . 1 . . . . . 955 T HN . 50457 1 540 . 1 . 1 301 301 THR N N 15 120.906 0.1 . 1 . . . . . 955 T N . 50457 1 541 . 1 . 1 303 303 ASP H H 1 8.570 0.02 . 1 . . . . . 957 D HN . 50457 1 542 . 1 . 1 303 303 ASP N N 15 126.361 0.1 . 1 . . . . . 957 D N . 50457 1 543 . 1 . 1 305 305 SER H H 1 8.512 0.02 . 1 . . . . . 959 S HN . 50457 1 544 . 1 . 1 305 305 SER N N 15 115.148 0.1 . 1 . . . . . 959 S N . 50457 1 545 . 1 . 1 306 306 ALA H H 1 7.682 0.02 . 1 . . . . . 960 A HN . 50457 1 546 . 1 . 1 306 306 ALA N N 15 123.534 0.1 . 1 . . . . . 960 A N . 50457 1 547 . 1 . 1 307 307 ASN H H 1 7.107 0.02 . 1 . . . . . 961 N HN . 50457 1 548 . 1 . 1 307 307 ASN N N 15 116.664 0.1 . 1 . . . . . 961 N N . 50457 1 549 . 1 . 1 308 308 ILE H H 1 7.849 0.02 . 1 . . . . . 962 I HN . 50457 1 550 . 1 . 1 308 308 ILE N N 15 116.938 0.1 . 1 . . . . . 962 I N . 50457 1 551 . 1 . 1 309 309 SER H H 1 8.278 0.02 . 1 . . . . . 963 S HN . 50457 1 552 . 1 . 1 309 309 SER N N 15 116.008 0.1 . 1 . . . . . 963 S N . 50457 1 553 . 1 . 1 310 310 LEU H H 1 9.245 0.02 . 1 . . . . . 964 L HN . 50457 1 554 . 1 . 1 310 310 LEU N N 15 128.874 0.1 . 1 . . . . . 964 L N . 50457 1 555 . 1 . 1 311 311 ASP H H 1 9.270 0.02 . 1 . . . . . 965 D HN . 50457 1 556 . 1 . 1 311 311 ASP N N 15 127.881 0.1 . 1 . . . . . 965 D N . 50457 1 557 . 1 . 1 312 312 GLY H H 1 8.106 0.02 . 1 . . . . . 966 G HN . 50457 1 558 . 1 . 1 312 312 GLY N N 15 102.468 0.1 . 1 . . . . . 966 G N . 50457 1 559 . 1 . 1 313 313 VAL H H 1 7.523 0.02 . 1 . . . . . 967 V HN . 50457 1 560 . 1 . 1 313 313 VAL N N 15 121.701 0.1 . 1 . . . . . 967 V N . 50457 1 561 . 1 . 1 314 314 ASP H H 1 8.336 0.02 . 1 . . . . . 968 D HN . 50457 1 562 . 1 . 1 314 314 ASP N N 15 126.530 0.1 . 1 . . . . . 968 D N . 50457 1 563 . 1 . 1 315 315 VAL H H 1 9.150 0.02 . 1 . . . . . 969 V HN . 50457 1 564 . 1 . 1 315 315 VAL N N 15 123.588 0.1 . 1 . . . . . 969 V N . 50457 1 565 . 1 . 1 317 317 LEU H H 1 6.854 0.02 . 1 . . . . . 971 L HN . 50457 1 566 . 1 . 1 317 317 LEU N N 15 111.493 0.1 . 1 . . . . . 971 L N . 50457 1 567 . 1 . 1 318 318 GLY H H 1 8.753 0.02 . 1 . . . . . 972 G HN . 50457 1 568 . 1 . 1 318 318 GLY N N 15 106.487 0.1 . 1 . . . . . 972 G N . 50457 1 569 . 1 . 1 319 319 THR H H 1 7.719 0.02 . 1 . . . . . 973 T HN . 50457 1 570 . 1 . 1 319 319 THR N N 15 108.256 0.1 . 1 . . . . . 973 T N . 50457 1 571 . 1 . 1 320 320 GLY H H 1 8.379 0.02 . 1 . . . . . 974 G HN . 50457 1 572 . 1 . 1 320 320 GLY N N 15 108.594 0.1 . 1 . . . . . 974 G N . 50457 1 573 . 1 . 1 321 321 ILE H H 1 9.333 0.02 . 1 . . . . . 975 I HN . 50457 1 574 . 1 . 1 321 321 ILE N N 15 122.692 0.1 . 1 . . . . . 975 I N . 50457 1 575 . 1 . 1 322 322 SER H H 1 8.508 0.02 . 1 . . . . . 976 S HN . 50457 1 576 . 1 . 1 322 322 SER N N 15 114.948 0.1 . 1 . . . . . 976 S N . 50457 1 577 . 1 . 1 324 324 GLY H H 1 8.473 0.02 . 1 . . . . . 978 G HN . 50457 1 578 . 1 . 1 324 324 GLY N N 15 110.587 0.1 . 1 . . . . . 978 G N . 50457 1 579 . 1 . 1 325 325 VAL H H 1 7.796 0.02 . 1 . . . . . 979 V HN . 50457 1 580 . 1 . 1 325 325 VAL N N 15 121.694 0.1 . 1 . . . . . 979 V N . 50457 1 581 . 1 . 1 326 326 ASN H H 1 8.574 0.02 . 1 . . . . . 980 N HN . 50457 1 582 . 1 . 1 326 326 ASN N N 15 123.514 0.1 . 1 . . . . . 980 N N . 50457 1 583 . 1 . 1 327 327 ASP H H 1 8.961 0.02 . 1 . . . . . 981 D HN . 50457 1 584 . 1 . 1 327 327 ASP N N 15 119.842 0.1 . 1 . . . . . 981 D N . 50457 1 585 . 1 . 1 328 328 THR H H 1 6.955 0.02 . 1 . . . . . 982 T HN . 50457 1 586 . 1 . 1 328 328 THR N N 15 109.417 0.1 . 1 . . . . . 982 T N . 50457 1 587 . 1 . 1 329 329 SER H H 1 8.474 0.02 . 1 . . . . . 983 S HN . 50457 1 588 . 1 . 1 329 329 SER N N 15 120.717 0.1 . 1 . . . . . 983 S N . 50457 1 589 . 1 . 1 330 330 LEU H H 1 8.122 0.02 . 1 . . . . . 984 L HN . 50457 1 590 . 1 . 1 330 330 LEU N N 15 124.761 0.1 . 1 . . . . . 984 L N . 50457 1 591 . 1 . 1 331 331 LEU H H 1 9.124 0.02 . 1 . . . . . 985 L HN . 50457 1 592 . 1 . 1 331 331 LEU N N 15 123.187 0.1 . 1 . . . . . 985 L N . 50457 1 593 . 1 . 1 332 332 TYR H H 1 7.147 0.02 . 1 . . . . . 986 Y HN . 50457 1 594 . 1 . 1 332 332 TYR N N 15 113.753 0.1 . 1 . . . . . 986 Y N . 50457 1 595 . 1 . 1 333 333 ASN H H 1 10.449 0.02 . 1 . . . . . 987 N HN . 50457 1 596 . 1 . 1 333 333 ASN N N 15 118.561 0.1 . 1 . . . . . 987 N N . 50457 1 597 . 1 . 1 334 334 GLU H H 1 8.449 0.02 . 1 . . . . . 988 E HN . 50457 1 598 . 1 . 1 334 334 GLU N N 15 117.690 0.1 . 1 . . . . . 988 E N . 50457 1 599 . 1 . 1 336 336 ILE H H 1 9.219 0.02 . 1 . . . . . 990 I HN . 50457 1 600 . 1 . 1 336 336 ILE N N 15 122.932 0.1 . 1 . . . . . 990 I N . 50457 1 601 . 1 . 1 337 337 VAL H H 1 7.626 0.02 . 1 . . . . . 991 V HN . 50457 1 602 . 1 . 1 337 337 VAL N N 15 112.561 0.1 . 1 . . . . . 991 V N . 50457 1 603 . 1 . 1 338 338 TYR H H 1 8.907 0.02 . 1 . . . . . 992 Y HN . 50457 1 604 . 1 . 1 338 338 TYR N N 15 117.987 0.1 . 1 . . . . . 992 Y N . 50457 1 605 . 1 . 1 339 339 ASP H H 1 6.839 0.02 . 1 . . . . . 993 D HN . 50457 1 606 . 1 . 1 339 339 ASP N N 15 119.904 0.1 . 1 . . . . . 993 D N . 50457 1 607 . 1 . 1 340 340 ILE H H 1 8.493 0.02 . 1 . . . . . 994 I HN . 50457 1 608 . 1 . 1 340 340 ILE N N 15 120.812 0.1 . 1 . . . . . 994 I N . 50457 1 609 . 1 . 1 341 341 ALA H H 1 9.153 0.02 . 1 . . . . . 995 A HN . 50457 1 610 . 1 . 1 341 341 ALA N N 15 122.955 0.1 . 1 . . . . . 995 A N . 50457 1 611 . 1 . 1 342 342 GLN H H 1 7.138 0.02 . 1 . . . . . 996 Q HN . 50457 1 612 . 1 . 1 342 342 GLN N N 15 113.759 0.1 . 1 . . . . . 996 Q N . 50457 1 613 . 1 . 1 343 343 VAL H H 1 6.749 0.02 . 1 . . . . . 997 V HN . 50457 1 614 . 1 . 1 343 343 VAL N N 15 115.835 0.1 . 1 . . . . . 997 V N . 50457 1 615 . 1 . 1 344 344 ASN H H 1 8.751 0.02 . 1 . . . . . 998 N HN . 50457 1 616 . 1 . 1 344 344 ASN N N 15 125.261 0.1 . 1 . . . . . 998 N N . 50457 1 617 . 1 . 1 345 345 LEU H H 1 10.234 0.02 . 1 . . . . . 999 L HN . 50457 1 618 . 1 . 1 345 345 LEU N N 15 128.954 0.1 . 1 . . . . . 999 L N . 50457 1 619 . 1 . 1 346 346 LYS H H 1 8.184 0.02 . 1 . . . . . 1000 K HN . 50457 1 620 . 1 . 1 346 346 LYS N N 15 118.261 0.1 . 1 . . . . . 1000 K N . 50457 1 621 . 1 . 1 347 347 TYR H H 1 8.337 0.02 . 1 . . . . . 1001 Y HN . 50457 1 622 . 1 . 1 347 347 TYR N N 15 113.006 0.1 . 1 . . . . . 1001 Y N . 50457 1 623 . 1 . 1 348 348 LEU H H 1 9.401 0.02 . 1 . . . . . 1002 L HN . 50457 1 624 . 1 . 1 348 348 LEU N N 15 123.404 0.1 . 1 . . . . . 1002 L N . 50457 1 625 . 1 . 1 349 349 LEU H H 1 9.832 0.02 . 1 . . . . . 1003 L HN . 50457 1 626 . 1 . 1 349 349 LEU N N 15 127.635 0.1 . 1 . . . . . 1003 L N . 50457 1 627 . 1 . 1 350 350 LYS H H 1 8.627 0.02 . 1 . . . . . 1004 K HN . 50457 1 628 . 1 . 1 350 350 LYS N N 15 121.882 0.1 . 1 . . . . . 1004 K N . 50457 1 629 . 1 . 1 351 351 LEU H H 1 9.389 0.02 . 1 . . . . . 1005 L HN . 50457 1 630 . 1 . 1 351 351 LEU N N 15 128.187 0.1 . 1 . . . . . 1005 L N . 50457 1 631 . 1 . 1 352 352 LYS H H 1 9.136 0.02 . 1 . . . . . 1006 K HN . 50457 1 632 . 1 . 1 352 352 LYS N N 15 122.322 0.1 . 1 . . . . . 1006 K N . 50457 1 633 . 1 . 1 353 353 PHE H H 1 9.252 0.02 . 1 . . . . . 1007 F HN . 50457 1 634 . 1 . 1 353 353 PHE N N 15 127.817 0.1 . 1 . . . . . 1007 F N . 50457 1 635 . 1 . 1 354 354 ASN H H 1 8.729 0.02 . 1 . . . . . 1008 N HN . 50457 1 636 . 1 . 1 354 354 ASN N N 15 122.517 0.1 . 1 . . . . . 1008 N N . 50457 1 637 . 1 . 1 355 355 PHE H H 1 8.672 0.02 . 1 . . . . . 1009 F HN . 50457 1 638 . 1 . 1 355 355 PHE N N 15 124.697 0.1 . 1 . . . . . 1009 F N . 50457 1 639 . 1 . 1 356 356 LYS H H 1 8.456 0.02 . 1 . . . . . 1010 K HN . 50457 1 640 . 1 . 1 356 356 LYS N N 15 122.838 0.1 . 1 . . . . . 1010 K N . 50457 1 641 . 1 . 1 357 357 THR H H 1 8.256 0.02 . 1 . . . . . 1011 T HN . 50457 1 642 . 1 . 1 357 357 THR N N 15 114.490 0.1 . 1 . . . . . 1011 T N . 50457 1 643 . 1 . 1 358 358 SER H H 1 8.244 0.02 . 1 . . . . . 1012 S HN . 50457 1 644 . 1 . 1 358 358 SER N N 15 117.807 0.1 . 1 . . . . . 1012 S N . 50457 1 645 . 1 . 1 359 359 LEU H H 1 8.127 0.02 . 1 . . . . . 1013 L HN . 50457 1 646 . 1 . 1 359 359 LEU N N 15 124.219 0.1 . 1 . . . . . 1013 L N . 50457 1 647 . 1 . 1 360 360 TRP H H 1 7.493 0.02 . 1 . . . . . 1014 W HN . 50457 1 648 . 1 . 1 360 360 TRP N N 15 125.248 0.1 . 1 . . . . . 1014 W N . 50457 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 50457 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details ; The pulse sequences used are those described in: Lakomek et al. (2012), J. Biomol. NMR, 53, 209-21. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D 1H-15N TROSY-based steady-state 15N{1H} NOE measurement' 1 $sample_1 . 50457 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 VAL N N 15 . 1 1 3 3 VAL H H 1 -0.478 0.008 . . . 657 VAL N . 657 VAL H 50457 1 2 . 1 1 4 4 ASN N N 15 . 1 1 4 4 ASN H H 1 -0.015 0.026 . . . 658 ASN N . 658 ASN H 50457 1 3 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.180 0.039 . . . 660 GLY N . 660 GLY H 50457 1 4 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.333 0.013 . . . 661 THR N . 661 THR H 50457 1 5 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.622 0.044 . . . 662 LYS N . 662 LYS H 50457 1 6 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.551 0.042 . . . 663 SER N . 663 SER H 50457 1 7 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.522 0.064 . . . 664 LYS N . 664 LYS H 50457 1 8 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.304 0.019 . . . 665 LEU N . 665 LEU H 50457 1 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.499 0.080 . . . 669 VAL N . 669 VAL H 50457 1 10 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 1.147 0.136 . . . 670 GLN N . 670 GLN H 50457 1 11 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.459 0.079 . . . 671 ASP N . 671 ASP H 50457 1 12 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 1.196 0.118 . . . 672 LEU N . 672 LEU H 50457 1 13 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.734 0.079 . . . 673 ILE N . 673 ILE H 50457 1 14 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.908 0.110 . . . 674 LYS N . 674 LYS H 50457 1 15 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.612 0.037 . . . 675 MET N . 675 MET H 50457 1 16 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.598 0.205 . . . 676 ILE N . 676 ILE H 50457 1 17 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.609 0.078 . . . 677 PHE N . 677 PHE H 50457 1 18 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.273 0.042 . . . 678 ASP N . 678 ASP H 50457 1 19 . 1 1 25 25 VAL N N 15 . 1 1 25 25 VAL H H 1 0.673 0.079 . . . 679 VAL N . 679 VAL H 50457 1 20 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.724 0.069 . . . 680 GLU N . 680 GLU H 50457 1 21 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.721 0.076 . . . 681 SER N . 681 SER H 50457 1 22 . 1 1 28 28 MET N N 15 . 1 1 28 28 MET H H 1 0.539 0.097 . . . 682 MET N . 682 MET H 50457 1 23 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.647 0.030 . . . 683 LYS N . 683 LYS H 50457 1 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.809 0.072 . . . 684 LYS N . 684 LYS H 50457 1 25 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.723 0.070 . . . 685 ALA N . 685 ALA H 50457 1 26 . 1 1 32 32 MET N N 15 . 1 1 32 32 MET H H 1 0.720 0.094 . . . 686 MET N . 686 MET H 50457 1 27 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.659 0.098 . . . 687 VAL N . 687 VAL H 50457 1 28 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.879 0.073 . . . 688 GLU N . 688 GLU H 50457 1 29 . 1 1 35 35 TYR N N 15 . 1 1 35 35 TYR H H 1 0.894 0.096 . . . 689 TYR N . 689 TYR H 50457 1 30 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.848 0.153 . . . 690 GLU N . 690 GLU H 50457 1 31 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.494 0.065 . . . 691 ILE N . 691 ILE H 50457 1 32 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.256 0.086 . . . 692 ASP N . 692 ASP H 50457 1 33 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.737 0.098 . . . 693 LEU N . 693 LEU H 50457 1 34 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.680 0.060 . . . 694 GLN N . 694 GLN H 50457 1 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.663 0.091 . . . 695 LYS N . 695 LYS H 50457 1 36 . 1 1 42 42 MET N N 15 . 1 1 42 42 MET H H 1 0.448 0.066 . . . 696 MET N . 696 MET H 50457 1 37 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.377 0.027 . . . 698 LEU N . 698 LEU H 50457 1 38 . 1 1 46 46 LYS N N 15 . 1 1 46 46 LYS H H 1 0.744 0.047 . . . 700 LYS N . 700 LYS H 50457 1 39 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.099 0.185 . . . 701 LEU N . 701 LEU H 50457 1 40 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 0.392 0.092 . . . 702 SER N . 702 SER H 50457 1 41 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.782 0.139 . . . 703 LYS N . 703 LYS H 50457 1 42 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.941 0.117 . . . 704 ARG N . 704 ARG H 50457 1 43 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 0.695 0.054 . . . 705 GLN N . 705 GLN H 50457 1 44 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.731 0.081 . . . 706 ILE N . 706 ILE H 50457 1 45 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.726 0.088 . . . 707 GLN N . 707 GLN H 50457 1 46 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.845 0.075 . . . 708 ALA N . 708 ALA H 50457 1 47 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.730 0.063 . . . 709 ALA N . 709 ALA H 50457 1 48 . 1 1 56 56 TYR N N 15 . 1 1 56 56 TYR H H 1 0.421 0.097 . . . 710 TYR N . 710 TYR H 50457 1 49 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.901 0.071 . . . 711 SER N . 711 SER H 50457 1 50 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.818 0.073 . . . 712 ILE N . 712 ILE H 50457 1 51 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.707 0.115 . . . 713 LEU N . 713 LEU H 50457 1 52 . 1 1 60 60 SER N N 15 . 1 1 60 60 SER H H 1 0.678 0.092 . . . 714 SER N . 714 SER H 50457 1 53 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.837 0.093 . . . 715 GLU N . 715 GLU H 50457 1 54 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.440 0.060 . . . 716 VAL N . 716 VAL H 50457 1 55 . 1 1 63 63 GLN N N 15 . 1 1 63 63 GLN H H 1 0.734 0.056 . . . 717 GLN N . 717 GLN H 50457 1 56 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.570 0.058 . . . 718 GLN N . 718 GLN H 50457 1 57 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.830 0.080 . . . 719 ALA N . 719 ALA H 50457 1 58 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.776 0.070 . . . 720 VAL N . 720 VAL H 50457 1 59 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.777 0.055 . . . 721 SER N . 721 SER H 50457 1 60 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.557 0.044 . . . 722 GLN N . 722 GLN H 50457 1 61 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.325 0.027 . . . 723 GLY N . 723 GLY H 50457 1 62 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.197 0.015 . . . 724 SER N . 724 SER H 50457 1 63 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.402 0.027 . . . 725 SER N . 725 SER H 50457 1 64 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.407 0.050 . . . 726 ASP N . 726 ASP H 50457 1 65 . 1 1 73 73 SER N N 15 . 1 1 73 73 SER H H 1 0.698 0.033 . . . 727 SER N . 727 SER H 50457 1 66 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.521 0.050 . . . 728 GLN N . 728 GLN H 50457 1 67 . 1 1 75 75 ILE N N 15 . 1 1 75 75 ILE H H 1 0.641 0.056 . . . 729 ILE N . 729 ILE H 50457 1 68 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.656 0.062 . . . 730 LEU N . 730 LEU H 50457 1 69 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.640 0.052 . . . 731 ASP N . 731 ASP H 50457 1 70 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.618 0.088 . . . 732 LEU N . 732 LEU H 50457 1 71 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.577 0.064 . . . 733 SER N . 733 SER H 50457 1 72 . 1 1 80 80 ASN N N 15 . 1 1 80 80 ASN H H 1 0.762 0.078 . . . 734 ASN N . 734 ASN H 50457 1 73 . 1 1 81 81 ARG N N 15 . 1 1 81 81 ARG H H 1 0.703 0.076 . . . 735 ARG N . 735 ARG H 50457 1 74 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.396 0.040 . . . 736 PHE N . 736 PHE H 50457 1 75 . 1 1 83 83 TYR N N 15 . 1 1 83 83 TYR H H 1 0.626 0.090 . . . 737 TYR N . 737 TYR H 50457 1 76 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 0.511 0.058 . . . 738 THR N . 738 THR H 50457 1 77 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.591 0.061 . . . 739 LEU N . 739 LEU H 50457 1 78 . 1 1 88 88 HIS N N 15 . 1 1 88 88 HIS H H 1 1.024 0.214 . . . 742 HIS N . 742 HIS H 50457 1 79 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.601 0.101 . . . 743 ASP N . 743 ASP H 50457 1 80 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.063 0.048 . . . 744 PHE N . 744 PHE H 50457 1 81 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.326 0.026 . . . 745 GLY N . 745 GLY H 50457 1 82 . 1 1 92 92 MET N N 15 . 1 1 92 92 MET H H 1 0.594 0.219 . . . 746 MET N . 746 MET H 50457 1 83 . 1 1 93 93 LYS N N 15 . 1 1 93 93 LYS H H 1 0.182 0.034 . . . 747 LYS N . 747 LYS H 50457 1 84 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.148 0.027 . . . 748 LYS N . 748 LYS H 50457 1 85 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.541 0.049 . . . 751 LEU N . 751 LEU H 50457 1 86 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.772 0.116 . . . 752 LEU N . 752 LEU H 50457 1 87 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 0.635 0.038 . . . 753 ASN N . 753 ASN H 50457 1 88 . 1 1 100 100 ASN N N 15 . 1 1 100 100 ASN H H 1 0.557 0.031 . . . 754 ASN N . 754 ASN H 50457 1 89 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.679 0.112 . . . 755 ALA N . 755 ALA H 50457 1 90 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.552 0.048 . . . 756 ASP N . 756 ASP H 50457 1 91 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.683 0.047 . . . 757 SER N . 757 SER H 50457 1 92 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.461 0.018 . . . 758 VAL N . 758 VAL H 50457 1 93 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.724 0.047 . . . 759 GLN N . 759 GLN H 50457 1 94 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.635 0.057 . . . 760 ALA N . 760 ALA H 50457 1 95 . 1 1 107 107 LYS N N 15 . 1 1 107 107 LYS H H 1 1.000 0.112 . . . 761 LYS N . 761 LYS H 50457 1 96 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.749 0.071 . . . 762 ALA N . 762 ALA H 50457 1 97 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 0.729 0.072 . . . 763 GLU N . 763 GLU H 50457 1 98 . 1 1 110 110 MET N N 15 . 1 1 110 110 MET H H 1 0.963 0.135 . . . 764 MET N . 764 MET H 50457 1 99 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 0.220 0.013 . . . 765 LEU N . 765 LEU H 50457 1 100 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.704 0.099 . . . 766 ASP N . 766 ASP H 50457 1 101 . 1 1 113 113 ASN N N 15 . 1 1 113 113 ASN H H 1 0.701 0.094 . . . 767 ASN N . 767 ASN H 50457 1 102 . 1 1 114 114 LEU N N 15 . 1 1 114 114 LEU H H 1 0.558 0.092 . . . 768 LEU N . 768 LEU H 50457 1 103 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.787 0.110 . . . 769 LEU N . 769 LEU H 50457 1 104 . 1 1 116 116 ASP N N 15 . 1 1 116 116 ASP H H 1 0.743 0.078 . . . 770 ASP N . 770 ASP H 50457 1 105 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 0.749 0.135 . . . 771 ILE N . 771 ILE H 50457 1 106 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.681 0.160 . . . 772 GLU N . 772 GLU H 50457 1 107 . 1 1 119 119 VAL N N 15 . 1 1 119 119 VAL H H 1 1.314 0.151 . . . 773 VAL N . 773 VAL H 50457 1 108 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.763 0.099 . . . 774 ALA N . 774 ALA H 50457 1 109 . 1 1 121 121 TYR N N 15 . 1 1 121 121 TYR H H 1 0.870 0.115 . . . 775 TYR N . 775 TYR H 50457 1 110 . 1 1 122 122 SER N N 15 . 1 1 122 122 SER H H 1 0.450 0.058 . . . 776 SER N . 776 SER H 50457 1 111 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.682 0.082 . . . 777 LEU N . 777 LEU H 50457 1 112 . 1 1 124 124 LEU N N 15 . 1 1 124 124 LEU H H 1 0.722 0.067 . . . 778 LEU N . 778 LEU H 50457 1 113 . 1 1 125 125 ARG N N 15 . 1 1 125 125 ARG H H 1 0.673 0.045 . . . 779 ARG N . 779 ARG H 50457 1 114 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.558 0.027 . . . 780 GLY N . 780 GLY H 50457 1 115 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.387 0.015 . . . 781 GLY N . 781 GLY H 50457 1 116 . 1 1 128 128 SER N N 15 . 1 1 128 128 SER H H 1 0.184 0.023 . . . 782 SER N . 782 SER H 50457 1 117 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.421 0.030 . . . 783 ASP N . 783 ASP H 50457 1 118 . 1 1 130 130 ASP N N 15 . 1 1 130 130 ASP H H 1 0.249 0.011 . . . 784 ASP N . 784 ASP H 50457 1 119 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.344 0.050 . . . 785 SER N . 785 SER H 50457 1 120 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.303 0.039 . . . 786 SER N . 786 SER H 50457 1 121 . 1 1 133 133 LYS N N 15 . 1 1 133 133 LYS H H 1 0.461 0.018 . . . 787 LYS N . 787 LYS H 50457 1 122 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.307 0.043 . . . 788 ASP N . 788 ASP H 50457 1 123 . 1 1 136 136 ILE N N 15 . 1 1 136 136 ILE H H 1 0.600 0.066 . . . 790 ILE N . 790 ILE H 50457 1 124 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.807 0.127 . . . 791 ASP N . 791 ASP H 50457 1 125 . 1 1 138 138 VAL N N 15 . 1 1 138 138 VAL H H 1 0.688 0.108 . . . 792 VAL N . 792 VAL H 50457 1 126 . 1 1 139 139 ASN N N 15 . 1 1 139 139 ASN H H 1 0.629 0.067 . . . 793 ASN N . 793 ASN H 50457 1 127 . 1 1 140 140 TYR N N 15 . 1 1 140 140 TYR H H 1 0.581 0.105 . . . 794 TYR N . 794 TYR H 50457 1 128 . 1 1 141 141 GLU N N 15 . 1 1 141 141 GLU H H 1 0.729 0.084 . . . 795 GLU N . 795 GLU H 50457 1 129 . 1 1 142 142 LYS N N 15 . 1 1 142 142 LYS H H 1 0.610 0.084 . . . 796 LYS N . 796 LYS H 50457 1 130 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.868 0.065 . . . 797 LEU N . 797 LEU H 50457 1 131 . 1 1 144 144 LYS N N 15 . 1 1 144 144 LYS H H 1 0.430 0.073 . . . 798 LYS N . 798 LYS H 50457 1 132 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 0.809 0.082 . . . 799 THR N . 799 THR H 50457 1 133 . 1 1 146 146 ASP N N 15 . 1 1 146 146 ASP H H 1 0.471 0.131 . . . 800 ASP N . 800 ASP H 50457 1 134 . 1 1 147 147 ILE N N 15 . 1 1 147 147 ILE H H 1 0.693 0.099 . . . 801 ILE N . 801 ILE H 50457 1 135 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 0.643 0.077 . . . 802 LYS N . 802 LYS H 50457 1 136 . 1 1 149 149 VAL N N 15 . 1 1 149 149 VAL H H 1 0.710 0.067 . . . 803 VAL N . 803 VAL H 50457 1 137 . 1 1 150 150 VAL N N 15 . 1 1 150 150 VAL H H 1 0.761 0.102 . . . 804 VAL N . 804 VAL H 50457 1 138 . 1 1 151 151 ASP N N 15 . 1 1 151 151 ASP H H 1 0.920 0.086 . . . 805 ASP N . 805 ASP H 50457 1 139 . 1 1 152 152 ARG N N 15 . 1 1 152 152 ARG H H 1 0.375 0.061 . . . 806 ARG N . 806 ARG H 50457 1 140 . 1 1 153 153 ASP N N 15 . 1 1 153 153 ASP H H 1 0.658 0.033 . . . 807 ASP N . 807 ASP H 50457 1 141 . 1 1 154 154 SER N N 15 . 1 1 154 154 SER H H 1 0.234 0.043 . . . 808 SER N . 808 SER H 50457 1 142 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.709 0.080 . . . 809 GLU N . 809 GLU H 50457 1 143 . 1 1 156 156 GLU N N 15 . 1 1 156 156 GLU H H 1 0.493 0.070 . . . 810 GLU N . 810 GLU H 50457 1 144 . 1 1 157 157 ALA N N 15 . 1 1 157 157 ALA H H 1 0.736 0.098 . . . 811 ALA N . 811 ALA H 50457 1 145 . 1 1 158 158 GLU N N 15 . 1 1 158 158 GLU H H 1 0.783 0.063 . . . 812 GLU N . 812 GLU H 50457 1 146 . 1 1 159 159 ILE N N 15 . 1 1 159 159 ILE H H 1 0.817 0.083 . . . 813 ILE N . 813 ILE H 50457 1 147 . 1 1 160 160 ILE N N 15 . 1 1 160 160 ILE H H 1 0.937 0.141 . . . 814 ILE N . 814 ILE H 50457 1 148 . 1 1 161 161 ARG N N 15 . 1 1 161 161 ARG H H 1 0.681 0.123 . . . 815 ARG N . 815 ARG H 50457 1 149 . 1 1 162 162 LYS N N 15 . 1 1 162 162 LYS H H 1 0.613 0.035 . . . 816 LYS N . 816 LYS H 50457 1 150 . 1 1 163 163 TYR N N 15 . 1 1 163 163 TYR H H 1 0.586 0.034 . . . 817 TYR N . 817 TYR H 50457 1 151 . 1 1 164 164 VAL N N 15 . 1 1 164 164 VAL H H 1 0.746 0.093 . . . 818 VAL N . 818 VAL H 50457 1 152 . 1 1 165 165 LYS N N 15 . 1 1 165 165 LYS H H 1 0.282 0.141 . . . 819 LYS N . 819 LYS H 50457 1 153 . 1 1 166 166 ASN N N 15 . 1 1 166 166 ASN H H 1 0.715 0.160 . . . 820 ASN N . 820 ASN H 50457 1 154 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 0.852 0.116 . . . 821 THR N . 821 THR H 50457 1 155 . 1 1 168 168 HIS N N 15 . 1 1 168 168 HIS H H 1 0.899 0.265 . . . 822 HIS N . 822 HIS H 50457 1 156 . 1 1 174 174 ALA N N 15 . 1 1 174 174 ALA H H 1 0.644 0.045 . . . 828 ALA N . 828 ALA H 50457 1 157 . 1 1 175 175 TYR N N 15 . 1 1 175 175 TYR H H 1 0.337 0.039 . . . 829 TYR N . 829 TYR H 50457 1 158 . 1 1 176 176 ASP N N 15 . 1 1 176 176 ASP H H 1 0.742 0.070 . . . 830 ASP N . 830 ASP H 50457 1 159 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.664 0.061 . . . 832 GLU N . 832 GLU H 50457 1 160 . 1 1 179 179 VAL N N 15 . 1 1 179 179 VAL H H 1 0.638 0.076 . . . 833 VAL N . 833 VAL H 50457 1 161 . 1 1 180 180 ILE N N 15 . 1 1 180 180 ILE H H 1 0.539 0.102 . . . 834 ILE N . 834 ILE H 50457 1 162 . 1 1 181 181 ASP N N 15 . 1 1 181 181 ASP H H 1 0.690 0.060 . . . 835 ASP N . 835 ASP H 50457 1 163 . 1 1 182 182 ILE N N 15 . 1 1 182 182 ILE H H 1 0.344 0.061 . . . 836 ILE N . 836 ILE H 50457 1 164 . 1 1 183 183 PHE N N 15 . 1 1 183 183 PHE H H 1 0.772 0.131 . . . 837 PHE N . 837 PHE H 50457 1 165 . 1 1 184 184 LYS N N 15 . 1 1 184 184 LYS H H 1 0.897 0.117 . . . 838 LYS N . 838 LYS H 50457 1 166 . 1 1 185 185 ILE N N 15 . 1 1 185 185 ILE H H 1 0.137 0.137 . . . 839 ILE N . 839 ILE H 50457 1 167 . 1 1 186 186 GLU N N 15 . 1 1 186 186 GLU H H 1 1.090 0.388 . . . 840 GLU N . 840 GLU H 50457 1 168 . 1 1 187 187 ARG N N 15 . 1 1 187 187 ARG H H 1 0.524 0.276 . . . 841 ARG N . 841 ARG H 50457 1 169 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.557 0.164 . . . 842 GLU N . 842 GLU H 50457 1 170 . 1 1 189 189 GLY N N 15 . 1 1 189 189 GLY H H 1 0.322 0.210 . . . 843 GLY N . 843 GLY H 50457 1 171 . 1 1 190 190 GLU N N 15 . 1 1 190 190 GLU H H 1 0.594 0.118 . . . 844 GLU N . 844 GLU H 50457 1 172 . 1 1 191 191 CYS N N 15 . 1 1 191 191 CYS H H 1 0.915 0.240 . . . 845 CYS N . 845 CYS H 50457 1 173 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 0.674 0.108 . . . 846 GLN N . 846 GLN H 50457 1 174 . 1 1 193 193 ARG N N 15 . 1 1 193 193 ARG H H 1 0.654 0.077 . . . 847 ARG N . 847 ARG H 50457 1 175 . 1 1 194 194 TYR N N 15 . 1 1 194 194 TYR H H 1 0.730 0.114 . . . 848 TYR N . 848 TYR H 50457 1 176 . 1 1 195 195 LYS N N 15 . 1 1 195 195 LYS H H 1 0.423 0.121 . . . 849 LYS N . 849 LYS H 50457 1 177 . 1 1 197 197 PHE N N 15 . 1 1 197 197 PHE H H 1 0.727 0.113 . . . 851 PHE N . 851 PHE H 50457 1 178 . 1 1 198 198 LYS N N 15 . 1 1 198 198 LYS H H 1 0.660 0.102 . . . 852 LYS N . 852 LYS H 50457 1 179 . 1 1 199 199 GLN N N 15 . 1 1 199 199 GLN H H 1 0.244 0.082 . . . 853 GLN N . 853 GLN H 50457 1 180 . 1 1 200 200 LEU N N 15 . 1 1 200 200 LEU H H 1 0.447 0.045 . . . 854 LEU N . 854 LEU H 50457 1 181 . 1 1 201 201 HIS N N 15 . 1 1 201 201 HIS H H 1 0.820 0.100 . . . 855 HIS N . 855 HIS H 50457 1 182 . 1 1 202 202 ASN N N 15 . 1 1 202 202 ASN H H 1 0.845 0.100 . . . 856 ASN N . 856 ASN H 50457 1 183 . 1 1 203 203 ARG N N 15 . 1 1 203 203 ARG H H 1 0.684 0.068 . . . 857 ARG N . 857 ARG H 50457 1 184 . 1 1 204 204 ARG N N 15 . 1 1 204 204 ARG H H 1 0.731 0.083 . . . 858 ARG N . 858 ARG H 50457 1 185 . 1 1 205 205 LEU N N 15 . 1 1 205 205 LEU H H 1 0.909 0.147 . . . 859 LEU N . 859 LEU H 50457 1 186 . 1 1 206 206 LEU N N 15 . 1 1 206 206 LEU H H 1 1.033 0.188 . . . 860 LEU N . 860 LEU H 50457 1 187 . 1 1 207 207 TRP N N 15 . 1 1 207 207 TRP H H 1 0.668 0.076 . . . 861 TRP N . 861 TRP H 50457 1 188 . 1 1 208 208 HIS N N 15 . 1 1 208 208 HIS H H 1 0.459 0.082 . . . 862 HIS N . 862 HIS H 50457 1 189 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.703 0.082 . . . 864 SER N . 864 SER H 50457 1 190 . 1 1 211 211 ARG N N 15 . 1 1 211 211 ARG H H 1 0.923 0.080 . . . 865 ARG N . 865 ARG H 50457 1 191 . 1 1 212 212 THR N N 15 . 1 1 212 212 THR H H 1 0.758 0.141 . . . 866 THR N . 866 THR H 50457 1 192 . 1 1 213 213 THR N N 15 . 1 1 213 213 THR H H 1 0.493 0.077 . . . 867 THR N . 867 THR H 50457 1 193 . 1 1 214 214 ASN N N 15 . 1 1 214 214 ASN H H 1 0.666 0.071 . . . 868 ASN N . 868 ASN H 50457 1 194 . 1 1 215 215 PHE N N 15 . 1 1 215 215 PHE H H 1 0.719 0.084 . . . 869 PHE N . 869 PHE H 50457 1 195 . 1 1 216 216 ALA N N 15 . 1 1 216 216 ALA H H 1 0.818 0.104 . . . 870 ALA N . 870 ALA H 50457 1 196 . 1 1 217 217 GLY N N 15 . 1 1 217 217 GLY H H 1 1.122 0.189 . . . 871 GLY N . 871 GLY H 50457 1 197 . 1 1 218 218 ILE N N 15 . 1 1 218 218 ILE H H 1 0.450 0.063 . . . 872 ILE N . 872 ILE H 50457 1 198 . 1 1 219 219 LEU N N 15 . 1 1 219 219 LEU H H 1 0.361 0.102 . . . 873 LEU N . 873 LEU H 50457 1 199 . 1 1 220 220 SER N N 15 . 1 1 220 220 SER H H 1 1.022 0.166 . . . 874 SER N . 874 SER H 50457 1 200 . 1 1 221 221 GLN N N 15 . 1 1 221 221 GLN H H 1 0.729 0.072 . . . 875 GLN N . 875 GLN H 50457 1 201 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.905 0.172 . . . 876 GLY N . 876 GLY H 50457 1 202 . 1 1 223 223 LEU N N 15 . 1 1 223 223 LEU H H 1 0.833 0.125 . . . 877 LEU N . 877 LEU H 50457 1 203 . 1 1 224 224 ARG N N 15 . 1 1 224 224 ARG H H 1 0.199 0.054 . . . 878 ARG N . 878 ARG H 50457 1 204 . 1 1 225 225 ILE N N 15 . 1 1 225 225 ILE H H 1 0.737 0.136 . . . 879 ILE N . 879 ILE H 50457 1 205 . 1 1 226 226 ALA N N 15 . 1 1 226 226 ALA H H 1 0.558 0.078 . . . 880 ALA N . 880 ALA H 50457 1 206 . 1 1 229 229 GLU N N 15 . 1 1 229 229 GLU H H 1 0.676 0.067 . . . 883 GLU N . 883 GLU H 50457 1 207 . 1 1 230 230 ALA N N 15 . 1 1 230 230 ALA H H 1 0.765 0.067 . . . 884 ALA N . 884 ALA H 50457 1 208 . 1 1 234 234 GLY N N 15 . 1 1 234 234 GLY H H 1 0.710 0.130 . . . 888 GLY N . 888 GLY H 50457 1 209 . 1 1 235 235 TYR N N 15 . 1 1 235 235 TYR H H 1 0.534 0.034 . . . 889 TYR N . 889 TYR H 50457 1 210 . 1 1 236 236 MET N N 15 . 1 1 236 236 MET H H 1 0.580 0.092 . . . 890 MET N . 890 MET H 50457 1 211 . 1 1 237 237 PHE N N 15 . 1 1 237 237 PHE H H 1 0.822 0.125 . . . 891 PHE N . 891 PHE H 50457 1 212 . 1 1 238 238 GLY N N 15 . 1 1 238 238 GLY H H 1 0.426 0.067 . . . 892 GLY N . 892 GLY H 50457 1 213 . 1 1 239 239 LYS N N 15 . 1 1 239 239 LYS H H 1 0.393 0.068 . . . 893 LYS N . 893 LYS H 50457 1 214 . 1 1 240 240 GLY N N 15 . 1 1 240 240 GLY H H 1 0.394 0.072 . . . 894 GLY N . 894 GLY H 50457 1 215 . 1 1 242 242 TYR N N 15 . 1 1 242 242 TYR H H 1 0.723 0.273 . . . 896 TYR N . 896 TYR H 50457 1 216 . 1 1 243 243 PHE N N 15 . 1 1 243 243 PHE H H 1 0.033 0.177 . . . 897 PHE N . 897 PHE H 50457 1 217 . 1 1 244 244 ALA N N 15 . 1 1 244 244 ALA H H 1 0.769 0.128 . . . 898 ALA N . 898 ALA H 50457 1 218 . 1 1 247 247 VAL N N 15 . 1 1 247 247 VAL H H 1 0.327 0.195 . . . 901 VAL N . 901 VAL H 50457 1 219 . 1 1 249 249 LYS N N 15 . 1 1 249 249 LYS H H 1 0.495 0.159 . . . 903 LYS N . 903 LYS H 50457 1 220 . 1 1 250 250 SER N N 15 . 1 1 250 250 SER H H 1 0.833 0.135 . . . 904 SER N . 904 SER H 50457 1 221 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.426 0.115 . . . 905 ALA N . 905 ALA H 50457 1 222 . 1 1 252 252 ASN N N 15 . 1 1 252 252 ASN H H 1 0.709 0.085 . . . 906 ASN N . 906 ASN H 50457 1 223 . 1 1 253 253 TYR N N 15 . 1 1 253 253 TYR H H 1 0.845 0.119 . . . 907 TYR N . 907 TYR H 50457 1 224 . 1 1 254 254 CYS N N 15 . 1 1 254 254 CYS H H 1 0.907 0.094 . . . 908 CYS N . 908 CYS H 50457 1 225 . 1 1 255 255 HIS N N 15 . 1 1 255 255 HIS H H 1 0.582 0.070 . . . 909 HIS N . 909 HIS H 50457 1 226 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 0.673 0.053 . . . 910 THR N . 910 THR H 50457 1 227 . 1 1 257 257 SER N N 15 . 1 1 257 257 SER H H 1 0.811 0.127 . . . 911 SER N . 911 SER H 50457 1 228 . 1 1 258 258 GLN N N 15 . 1 1 258 258 GLN H H 1 0.692 0.076 . . . 912 GLN N . 912 GLN H 50457 1 229 . 1 1 259 259 GLY N N 15 . 1 1 259 259 GLY H H 1 0.480 0.131 . . . 913 GLY N . 913 GLY H 50457 1 230 . 1 1 260 260 ASP N N 15 . 1 1 260 260 ASP H H 1 0.549 0.034 . . . 914 ASP N . 914 ASP H 50457 1 231 . 1 1 262 262 ILE N N 15 . 1 1 262 262 ILE H H 1 0.722 0.043 . . . 916 ILE N . 916 ILE H 50457 1 232 . 1 1 263 263 GLY N N 15 . 1 1 263 263 GLY H H 1 0.638 0.081 . . . 917 GLY N . 917 GLY H 50457 1 233 . 1 1 264 264 LEU N N 15 . 1 1 264 264 LEU H H 1 0.912 0.175 . . . 918 LEU N . 918 LEU H 50457 1 234 . 1 1 265 265 ILE N N 15 . 1 1 265 265 ILE H H 1 0.804 0.103 . . . 919 ILE N . 919 ILE H 50457 1 235 . 1 1 267 267 LEU N N 15 . 1 1 267 267 LEU H H 1 0.870 0.117 . . . 921 LEU N . 921 LEU H 50457 1 236 . 1 1 268 268 GLY N N 15 . 1 1 268 268 GLY H H 1 0.744 0.135 . . . 922 GLY N . 922 GLY H 50457 1 237 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.932 0.238 . . . 923 GLU N . 923 GLU H 50457 1 238 . 1 1 270 270 VAL N N 15 . 1 1 270 270 VAL H H 1 0.568 0.130 . . . 924 VAL N . 924 VAL H 50457 1 239 . 1 1 271 271 ALA N N 15 . 1 1 271 271 ALA H H 1 0.433 0.124 . . . 925 ALA N . 925 ALA H 50457 1 240 . 1 1 272 272 LEU N N 15 . 1 1 272 272 LEU H H 1 0.798 0.054 . . . 926 LEU N . 926 LEU H 50457 1 241 . 1 1 273 273 GLY N N 15 . 1 1 273 273 GLY H H 1 0.444 0.089 . . . 927 GLY N . 927 GLY H 50457 1 242 . 1 1 274 274 ASN N N 15 . 1 1 274 274 ASN H H 1 0.418 0.113 . . . 928 ASN N . 928 ASN H 50457 1 243 . 1 1 275 275 MET N N 15 . 1 1 275 275 MET H H 1 0.862 0.120 . . . 929 MET N . 929 MET H 50457 1 244 . 1 1 276 276 TYR N N 15 . 1 1 276 276 TYR H H 1 0.246 0.168 . . . 930 TYR N . 930 TYR H 50457 1 245 . 1 1 277 277 GLU N N 15 . 1 1 277 277 GLU H H 1 0.599 0.077 . . . 931 GLU N . 931 GLU H 50457 1 246 . 1 1 278 278 LEU N N 15 . 1 1 278 278 LEU H H 1 0.297 0.123 . . . 932 LEU N . 932 LEU H 50457 1 247 . 1 1 279 279 LYS N N 15 . 1 1 279 279 LYS H H 1 0.644 0.120 . . . 933 LYS N . 933 LYS H 50457 1 248 . 1 1 280 280 HIS N N 15 . 1 1 280 280 HIS H H 1 0.699 0.059 . . . 934 HIS N . 934 HIS H 50457 1 249 . 1 1 281 281 ALA N N 15 . 1 1 281 281 ALA H H 1 0.441 0.021 . . . 935 ALA N . 935 ALA H 50457 1 250 . 1 1 282 282 SER N N 15 . 1 1 282 282 SER H H 1 0.447 0.086 . . . 936 SER N . 936 SER H 50457 1 251 . 1 1 284 284 ILE N N 15 . 1 1 284 284 ILE H H 1 0.136 0.038 . . . 938 ILE N . 938 ILE H 50457 1 252 . 1 1 286 286 LYS N N 15 . 1 1 286 286 LYS H H 1 0.091 0.101 . . . 940 LYS N . 940 LYS H 50457 1 253 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.706 0.138 . . . 941 LEU N . 941 LEU H 50457 1 254 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 0.696 0.046 . . . 943 LYS N . 943 LYS H 50457 1 255 . 1 1 290 290 GLY N N 15 . 1 1 290 290 GLY H H 1 0.223 0.212 . . . 944 GLY N . 944 GLY H 50457 1 256 . 1 1 291 291 LYS N N 15 . 1 1 291 291 LYS H H 1 0.730 0.063 . . . 945 LYS N . 945 LYS H 50457 1 257 . 1 1 292 292 HIS N N 15 . 1 1 292 292 HIS H H 1 0.755 0.160 . . . 946 HIS N . 946 HIS H 50457 1 258 . 1 1 294 294 VAL N N 15 . 1 1 294 294 VAL H H 1 0.750 0.139 . . . 948 VAL N . 948 VAL H 50457 1 259 . 1 1 295 295 LYS N N 15 . 1 1 295 295 LYS H H 1 0.833 0.101 . . . 949 LYS N . 949 LYS H 50457 1 260 . 1 1 297 297 LEU N N 15 . 1 1 297 297 LEU H H 1 0.503 0.132 . . . 951 LEU N . 951 LEU H 50457 1 261 . 1 1 298 298 GLY N N 15 . 1 1 298 298 GLY H H 1 1.103 0.160 . . . 952 GLY N . 952 GLY H 50457 1 262 . 1 1 299 299 LYS N N 15 . 1 1 299 299 LYS H H 1 0.744 0.095 . . . 953 LYS N . 953 LYS H 50457 1 263 . 1 1 301 301 THR N N 15 . 1 1 301 301 THR H H 1 0.564 0.091 . . . 955 THR N . 955 THR H 50457 1 264 . 1 1 303 303 ASP N N 15 . 1 1 303 303 ASP H H 1 0.408 0.119 . . . 957 ASP N . 957 ASP H 50457 1 265 . 1 1 305 305 SER N N 15 . 1 1 305 305 SER H H 1 0.634 0.042 . . . 959 SER N . 959 SER H 50457 1 266 . 1 1 306 306 ALA N N 15 . 1 1 306 306 ALA H H 1 0.700 0.073 . . . 960 ALA N . 960 ALA H 50457 1 267 . 1 1 307 307 ASN N N 15 . 1 1 307 307 ASN H H 1 0.648 0.036 . . . 961 ASN N . 961 ASN H 50457 1 268 . 1 1 308 308 ILE N N 15 . 1 1 308 308 ILE H H 1 0.717 0.040 . . . 962 ILE N . 962 ILE H 50457 1 269 . 1 1 309 309 SER N N 15 . 1 1 309 309 SER H H 1 0.673 0.042 . . . 963 SER N . 963 SER H 50457 1 270 . 1 1 310 310 LEU N N 15 . 1 1 310 310 LEU H H 1 0.655 0.094 . . . 964 LEU N . 964 LEU H 50457 1 271 . 1 1 311 311 ASP N N 15 . 1 1 311 311 ASP H H 1 0.654 0.090 . . . 965 ASP N . 965 ASP H 50457 1 272 . 1 1 312 312 GLY N N 15 . 1 1 312 312 GLY H H 1 0.495 0.069 . . . 966 GLY N . 966 GLY H 50457 1 273 . 1 1 313 313 VAL N N 15 . 1 1 313 313 VAL H H 1 0.504 0.041 . . . 967 VAL N . 967 VAL H 50457 1 274 . 1 1 314 314 ASP N N 15 . 1 1 314 314 ASP H H 1 0.774 0.138 . . . 968 ASP N . 968 ASP H 50457 1 275 . 1 1 315 315 VAL N N 15 . 1 1 315 315 VAL H H 1 1.126 0.156 . . . 969 VAL N . 969 VAL H 50457 1 276 . 1 1 317 317 LEU N N 15 . 1 1 317 317 LEU H H 1 0.252 0.061 . . . 971 LEU N . 971 LEU H 50457 1 277 . 1 1 318 318 GLY N N 15 . 1 1 318 318 GLY H H 1 0.825 0.085 . . . 972 GLY N . 972 GLY H 50457 1 278 . 1 1 319 319 THR N N 15 . 1 1 319 319 THR H H 1 0.597 0.055 . . . 973 THR N . 973 THR H 50457 1 279 . 1 1 320 320 GLY N N 15 . 1 1 320 320 GLY H H 1 0.734 0.086 . . . 974 GLY N . 974 GLY H 50457 1 280 . 1 1 321 321 ILE N N 15 . 1 1 321 321 ILE H H 1 0.771 0.101 . . . 975 ILE N . 975 ILE H 50457 1 281 . 1 1 322 322 SER N N 15 . 1 1 322 322 SER H H 1 0.609 0.073 . . . 976 SER N . 976 SER H 50457 1 282 . 1 1 324 324 GLY N N 15 . 1 1 324 324 GLY H H 1 0.746 0.080 . . . 978 GLY N . 978 GLY H 50457 1 283 . 1 1 325 325 VAL N N 15 . 1 1 325 325 VAL H H 1 0.614 0.049 . . . 979 VAL N . 979 VAL H 50457 1 284 . 1 1 326 326 ASN N N 15 . 1 1 326 326 ASN H H 1 0.375 0.328 . . . 980 ASN N . 980 ASN H 50457 1 285 . 1 1 327 327 ASP N N 15 . 1 1 327 327 ASP H H 1 0.442 0.136 . . . 981 ASP N . 981 ASP H 50457 1 286 . 1 1 328 328 THR N N 15 . 1 1 328 328 THR H H 1 0.344 0.029 . . . 982 THR N . 982 THR H 50457 1 287 . 1 1 329 329 SER N N 15 . 1 1 329 329 SER H H 1 0.543 0.074 . . . 983 SER N . 983 SER H 50457 1 288 . 1 1 330 330 LEU N N 15 . 1 1 330 330 LEU H H 1 0.751 0.120 . . . 984 LEU N . 984 LEU H 50457 1 289 . 1 1 331 331 LEU N N 15 . 1 1 331 331 LEU H H 1 0.904 0.177 . . . 985 LEU N . 985 LEU H 50457 1 290 . 1 1 332 332 TYR N N 15 . 1 1 332 332 TYR H H 1 0.725 0.124 . . . 986 TYR N . 986 TYR H 50457 1 291 . 1 1 333 333 ASN N N 15 . 1 1 333 333 ASN H H 1 0.707 0.210 . . . 987 ASN N . 987 ASN H 50457 1 292 . 1 1 334 334 GLU N N 15 . 1 1 334 334 GLU H H 1 0.841 0.116 . . . 988 GLU N . 988 GLU H 50457 1 293 . 1 1 336 336 ILE N N 15 . 1 1 336 336 ILE H H 1 0.811 0.122 . . . 990 ILE N . 990 ILE H 50457 1 294 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.388 0.066 . . . 991 VAL N . 991 VAL H 50457 1 295 . 1 1 338 338 TYR N N 15 . 1 1 338 338 TYR H H 1 0.703 0.124 . . . 992 TYR N . 992 TYR H 50457 1 296 . 1 1 339 339 ASP N N 15 . 1 1 339 339 ASP H H 1 0.667 0.060 . . . 993 ASP N . 993 ASP H 50457 1 297 . 1 1 340 340 ILE N N 15 . 1 1 340 340 ILE H H 1 0.674 0.063 . . . 994 ILE N . 994 ILE H 50457 1 298 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.732 0.100 . . . 995 ALA N . 995 ALA H 50457 1 299 . 1 1 342 342 GLN N N 15 . 1 1 342 342 GLN H H 1 0.726 0.118 . . . 996 GLN N . 996 GLN H 50457 1 300 . 1 1 343 343 VAL N N 15 . 1 1 343 343 VAL H H 1 0.819 0.088 . . . 997 VAL N . 997 VAL H 50457 1 301 . 1 1 344 344 ASN N N 15 . 1 1 344 344 ASN H H 1 0.653 0.089 . . . 998 ASN N . 998 ASN H 50457 1 302 . 1 1 346 346 LYS N N 15 . 1 1 346 346 LYS H H 1 0.845 0.188 . . . 1000 LYS N . 1000 LYS H 50457 1 303 . 1 1 347 347 TYR N N 15 . 1 1 347 347 TYR H H 1 0.601 0.108 . . . 1001 TYR N . 1001 TYR H 50457 1 304 . 1 1 348 348 LEU N N 15 . 1 1 348 348 LEU H H 1 0.885 0.181 . . . 1002 LEU N . 1002 LEU H 50457 1 305 . 1 1 349 349 LEU N N 15 . 1 1 349 349 LEU H H 1 0.865 0.127 . . . 1003 LEU N . 1003 LEU H 50457 1 306 . 1 1 350 350 LYS N N 15 . 1 1 350 350 LYS H H 1 0.841 0.046 . . . 1004 LYS N . 1004 LYS H 50457 1 307 . 1 1 351 351 LEU N N 15 . 1 1 351 351 LEU H H 1 0.487 0.102 . . . 1005 LEU N . 1005 LEU H 50457 1 308 . 1 1 352 352 LYS N N 15 . 1 1 352 352 LYS H H 1 0.785 0.101 . . . 1006 LYS N . 1006 LYS H 50457 1 309 . 1 1 353 353 PHE N N 15 . 1 1 353 353 PHE H H 1 0.717 0.179 . . . 1007 PHE N . 1007 PHE H 50457 1 310 . 1 1 354 354 ASN N N 15 . 1 1 354 354 ASN H H 1 0.559 0.078 . . . 1008 ASN N . 1008 ASN H 50457 1 311 . 1 1 355 355 PHE N N 15 . 1 1 355 355 PHE H H 1 0.034 0.021 . . . 1009 PHE N . 1009 PHE H 50457 1 312 . 1 1 356 356 LYS N N 15 . 1 1 356 356 LYS H H 1 0.396 0.040 . . . 1010 LYS N . 1010 LYS H 50457 1 313 . 1 1 357 357 THR N N 15 . 1 1 357 357 THR H H 1 0.240 0.025 . . . 1011 THR N . 1011 THR H 50457 1 314 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.198 0.016 . . . 1012 SER N . 1012 SER H 50457 1 315 . 1 1 359 359 LEU N N 15 . 1 1 359 359 LEU H H 1 -0.010 0.006 . . . 1013 LEU N . 1013 LEU H 50457 1 316 . 1 1 360 360 TRP N N 15 . 1 1 360 360 TRP H H 1 -0.195 0.003 . . . 1014 TRP N . 1014 TRP H 50457 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 50457 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details ; The pulse sequences used are those described in: Lakomek et al. (2012), J. Biomol. NMR, 53, 209-21. ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 '2D 1H-15N TROSY-based 15N T1 measurement' 1 $sample_1 . 50457 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 VAL N N 15 1121 20 . . 657 VAL N 50457 1 2 . 1 1 4 4 ASN N N 15 1165 106 . . 658 ASN N 50457 1 3 . 1 1 6 6 GLY N N 15 1018 118 . . 660 GLY N 50457 1 4 . 1 1 7 7 THR N N 15 1036 39 . . 661 THR N 50457 1 5 . 1 1 9 9 SER N N 15 1718 237 . . 663 SER N 50457 1 6 . 1 1 10 10 LYS N N 15 1767 195 . . 664 LYS N 50457 1 7 . 1 1 11 11 LEU N N 15 1214 48 . . 665 LEU N 50457 1 8 . 1 1 15 15 VAL N N 15 2265 442 . . 669 VAL N 50457 1 9 . 1 1 16 16 GLN N N 15 3125 360 . . 670 GLN N 50457 1 10 . 1 1 17 17 ASP N N 15 2543 201 . . 671 ASP N 50457 1 11 . 1 1 18 18 LEU N N 15 3412 424 . . 672 LEU N 50457 1 12 . 1 1 19 19 ILE N N 15 2277 231 . . 673 ILE N 50457 1 13 . 1 1 20 20 LYS N N 15 2905 189 . . 674 LYS N 50457 1 14 . 1 1 21 21 MET N N 15 3584 101 . . 675 MET N 50457 1 15 . 1 1 22 22 ILE N N 15 2602 451 . . 676 ILE N 50457 1 16 . 1 1 23 23 PHE N N 15 3660 533 . . 677 PHE N 50457 1 17 . 1 1 24 24 ASP N N 15 2929 234 . . 678 ASP N 50457 1 18 . 1 1 25 25 VAL N N 15 2430 174 . . 679 VAL N 50457 1 19 . 1 1 26 26 GLU N N 15 3333 277 . . 680 GLU N 50457 1 20 . 1 1 27 27 SER N N 15 3541 121 . . 681 SER N 50457 1 21 . 1 1 28 28 MET N N 15 2518 553 . . 682 MET N 50457 1 22 . 1 1 29 29 LYS N N 15 2633 200 . . 683 LYS N 50457 1 23 . 1 1 30 30 LYS N N 15 3037 344 . . 684 LYS N 50457 1 24 . 1 1 31 31 ALA N N 15 2738 174 . . 685 ALA N 50457 1 25 . 1 1 32 32 MET N N 15 3425 581 . . 686 MET N 50457 1 26 . 1 1 33 33 VAL N N 15 2895 211 . . 687 VAL N 50457 1 27 . 1 1 34 34 GLU N N 15 3320 66 . . 688 GLU N 50457 1 28 . 1 1 35 35 TYR N N 15 3134 274 . . 689 TYR N 50457 1 29 . 1 1 36 36 GLU N N 15 2549 361 . . 690 GLU N 50457 1 30 . 1 1 37 37 ILE N N 15 2754 386 . . 691 ILE N 50457 1 31 . 1 1 38 38 ASP N N 15 2620 192 . . 692 ASP N 50457 1 32 . 1 1 39 39 LEU N N 15 3451 371 . . 693 LEU N 50457 1 33 . 1 1 40 40 GLN N N 15 3619 86 . . 694 GLN N 50457 1 34 . 1 1 41 41 LYS N N 15 2885 377 . . 695 LYS N 50457 1 35 . 1 1 42 42 MET N N 15 3307 184 . . 696 MET N 50457 1 36 . 1 1 44 44 LEU N N 15 2224 166 . . 698 LEU N 50457 1 37 . 1 1 46 46 LYS N N 15 2950 63 . . 700 LYS N 50457 1 38 . 1 1 47 47 LEU N N 15 1496 439 . . 701 LEU N 50457 1 39 . 1 1 48 48 SER N N 15 1792 284 . . 702 SER N 50457 1 40 . 1 1 50 50 ARG N N 15 3179 269 . . 704 ARG N 50457 1 41 . 1 1 51 51 GLN N N 15 3145 215 . . 705 GLN N 50457 1 42 . 1 1 52 52 ILE N N 15 3200 153 . . 706 ILE N 50457 1 43 . 1 1 53 53 GLN N N 15 3185 256 . . 707 GLN N 50457 1 44 . 1 1 54 54 ALA N N 15 2498 157 . . 708 ALA N 50457 1 45 . 1 1 55 55 ALA N N 15 3472 146 . . 709 ALA N 50457 1 46 . 1 1 56 56 TYR N N 15 3314 276 . . 710 TYR N 50457 1 47 . 1 1 57 57 SER N N 15 3387 453 . . 711 SER N 50457 1 48 . 1 1 58 58 ILE N N 15 3237 327 . . 712 ILE N 50457 1 49 . 1 1 59 59 LEU N N 15 3141 227 . . 713 LEU N 50457 1 50 . 1 1 60 60 SER N N 15 2811 211 . . 714 SER N 50457 1 51 . 1 1 61 61 GLU N N 15 3313 132 . . 715 GLU N 50457 1 52 . 1 1 62 62 VAL N N 15 2889 272 . . 716 VAL N 50457 1 53 . 1 1 63 63 GLN N N 15 2678 354 . . 717 GLN N 50457 1 54 . 1 1 64 64 GLN N N 15 2734 147 . . 718 GLN N 50457 1 55 . 1 1 65 65 ALA N N 15 2820 279 . . 719 ALA N 50457 1 56 . 1 1 66 66 VAL N N 15 2465 175 . . 720 VAL N 50457 1 57 . 1 1 67 67 SER N N 15 2776 164 . . 721 SER N 50457 1 58 . 1 1 68 68 GLN N N 15 2904 121 . . 722 GLN N 50457 1 59 . 1 1 69 69 GLY N N 15 2436 111 . . 723 GLY N 50457 1 60 . 1 1 70 70 SER N N 15 1244 38 . . 724 SER N 50457 1 61 . 1 1 71 71 SER N N 15 1384 98 . . 725 SER N 50457 1 62 . 1 1 72 72 ASP N N 15 2036 103 . . 726 ASP N 50457 1 63 . 1 1 73 73 SER N N 15 3170 101 . . 727 SER N 50457 1 64 . 1 1 74 74 GLN N N 15 2014 81 . . 728 GLN N 50457 1 65 . 1 1 75 75 ILE N N 15 2819 191 . . 729 ILE N 50457 1 66 . 1 1 76 76 LEU N N 15 2565 198 . . 730 LEU N 50457 1 67 . 1 1 77 77 ASP N N 15 2547 127 . . 731 ASP N 50457 1 68 . 1 1 78 78 LEU N N 15 2556 371 . . 732 LEU N 50457 1 69 . 1 1 79 79 SER N N 15 954 42 . . 733 SER N 50457 1 70 . 1 1 80 80 ASN N N 15 3296 245 . . 734 ASN N 50457 1 71 . 1 1 81 81 ARG N N 15 3053 263 . . 735 ARG N 50457 1 72 . 1 1 82 82 PHE N N 15 1823 215 . . 736 PHE N 50457 1 73 . 1 1 83 83 TYR N N 15 2910 277 . . 737 TYR N 50457 1 74 . 1 1 84 84 THR N N 15 2720 104 . . 738 THR N 50457 1 75 . 1 1 85 85 LEU N N 15 2562 194 . . 739 LEU N 50457 1 76 . 1 1 86 86 ILE N N 15 2521 145 . . 740 ILE N 50457 1 77 . 1 1 88 88 HIS N N 15 3041 307 . . 742 HIS N 50457 1 78 . 1 1 89 89 ASP N N 15 2614 355 . . 743 ASP N 50457 1 79 . 1 1 90 90 PHE N N 15 2550 144 . . 744 PHE N 50457 1 80 . 1 1 91 91 GLY N N 15 2121 112 . . 745 GLY N 50457 1 81 . 1 1 92 92 MET N N 15 2724 836 . . 746 MET N 50457 1 82 . 1 1 93 93 LYS N N 15 2080 63 . . 747 LYS N 50457 1 83 . 1 1 94 94 LYS N N 15 2035 29 . . 748 LYS N 50457 1 84 . 1 1 97 97 LEU N N 15 2385 325 . . 751 LEU N 50457 1 85 . 1 1 98 98 LEU N N 15 1927 183 . . 752 LEU N 50457 1 86 . 1 1 99 99 ASN N N 15 2823 90 . . 753 ASN N 50457 1 87 . 1 1 100 100 ASN N N 15 2746 136 . . 754 ASN N 50457 1 88 . 1 1 101 101 ALA N N 15 2895 804 . . 755 ALA N 50457 1 89 . 1 1 102 102 ASP N N 15 2650 141 . . 756 ASP N 50457 1 90 . 1 1 103 103 SER N N 15 3057 231 . . 757 SER N 50457 1 91 . 1 1 104 104 VAL N N 15 2115 64 . . 758 VAL N 50457 1 92 . 1 1 105 105 GLN N N 15 2949 110 . . 759 GLN N 50457 1 93 . 1 1 106 106 ALA N N 15 3199 223 . . 760 ALA N 50457 1 94 . 1 1 107 107 LYS N N 15 2670 285 . . 761 LYS N 50457 1 95 . 1 1 108 108 ALA N N 15 3354 413 . . 762 ALA N 50457 1 96 . 1 1 109 109 GLU N N 15 3286 433 . . 763 GLU N 50457 1 97 . 1 1 110 110 MET N N 15 3574 450 . . 764 MET N 50457 1 98 . 1 1 111 111 LEU N N 15 1259 13 . . 765 LEU N 50457 1 99 . 1 1 112 112 ASP N N 15 3011 109 . . 766 ASP N 50457 1 100 . 1 1 113 113 ASN N N 15 2449 565 . . 767 ASN N 50457 1 101 . 1 1 114 114 LEU N N 15 1974 443 . . 768 LEU N 50457 1 102 . 1 1 115 115 LEU N N 15 2261 474 . . 769 LEU N 50457 1 103 . 1 1 116 116 ASP N N 15 2916 301 . . 770 ASP N 50457 1 104 . 1 1 117 117 ILE N N 15 2534 345 . . 771 ILE N 50457 1 105 . 1 1 119 119 VAL N N 15 2206 177 . . 773 VAL N 50457 1 106 . 1 1 120 120 ALA N N 15 1952 214 . . 774 ALA N 50457 1 107 . 1 1 121 121 TYR N N 15 2455 414 . . 775 TYR N 50457 1 108 . 1 1 122 122 SER N N 15 2764 220 . . 776 SER N 50457 1 109 . 1 1 123 123 LEU N N 15 2778 194 . . 777 LEU N 50457 1 110 . 1 1 124 124 LEU N N 15 2810 61 . . 778 LEU N 50457 1 111 . 1 1 125 125 ARG N N 15 2869 246 . . 779 ARG N 50457 1 112 . 1 1 126 126 GLY N N 15 1296 43 . . 780 GLY N 50457 1 113 . 1 1 127 127 GLY N N 15 1115 20 . . 781 GLY N 50457 1 114 . 1 1 128 128 SER N N 15 1353 94 . . 782 SER N 50457 1 115 . 1 1 129 129 ASP N N 15 1348 47 . . 783 ASP N 50457 1 116 . 1 1 130 130 ASP N N 15 1259 10 . . 784 ASP N 50457 1 117 . 1 1 131 131 SER N N 15 2342 298 . . 785 SER N 50457 1 118 . 1 1 132 132 SER N N 15 1434 49 . . 786 SER N 50457 1 119 . 1 1 133 133 LYS N N 15 2088 187 . . 787 LYS N 50457 1 120 . 1 1 134 134 ASP N N 15 2001 134 . . 788 ASP N 50457 1 121 . 1 1 136 136 ILE N N 15 2709 177 . . 790 ILE N 50457 1 122 . 1 1 137 137 ASP N N 15 3245 167 . . 791 ASP N 50457 1 123 . 1 1 138 138 VAL N N 15 3075 328 . . 792 VAL N 50457 1 124 . 1 1 139 139 ASN N N 15 3452 145 . . 793 ASN N 50457 1 125 . 1 1 140 140 TYR N N 15 3100 309 . . 794 TYR N 50457 1 126 . 1 1 141 141 GLU N N 15 3153 212 . . 795 GLU N 50457 1 127 . 1 1 142 142 LYS N N 15 3408 417 . . 796 LYS N 50457 1 128 . 1 1 143 143 LEU N N 15 2577 208 . . 797 LEU N 50457 1 129 . 1 1 144 144 LYS N N 15 3293 313 . . 798 LYS N 50457 1 130 . 1 1 145 145 THR N N 15 3036 220 . . 799 THR N 50457 1 131 . 1 1 146 146 ASP N N 15 3195 471 . . 800 ASP N 50457 1 132 . 1 1 148 148 LYS N N 15 3111 279 . . 802 LYS N 50457 1 133 . 1 1 149 149 VAL N N 15 3261 252 . . 803 VAL N 50457 1 134 . 1 1 150 150 VAL N N 15 3146 491 . . 804 VAL N 50457 1 135 . 1 1 151 151 ASP N N 15 2793 291 . . 805 ASP N 50457 1 136 . 1 1 152 152 ARG N N 15 2820 387 . . 806 ARG N 50457 1 137 . 1 1 153 153 ASP N N 15 2671 42 . . 807 ASP N 50457 1 138 . 1 1 154 154 SER N N 15 2624 164 . . 808 SER N 50457 1 139 . 1 1 155 155 GLU N N 15 2243 239 . . 809 GLU N 50457 1 140 . 1 1 156 156 GLU N N 15 1812 393 . . 810 GLU N 50457 1 141 . 1 1 157 157 ALA N N 15 3291 218 . . 811 ALA N 50457 1 142 . 1 1 158 158 GLU N N 15 2896 165 . . 812 GLU N 50457 1 143 . 1 1 159 159 ILE N N 15 2925 172 . . 813 ILE N 50457 1 144 . 1 1 160 160 ILE N N 15 2966 323 . . 814 ILE N 50457 1 145 . 1 1 162 162 LYS N N 15 3058 154 . . 816 LYS N 50457 1 146 . 1 1 163 163 TYR N N 15 1769 248 . . 817 TYR N 50457 1 147 . 1 1 164 164 VAL N N 15 3087 504 . . 818 VAL N 50457 1 148 . 1 1 165 165 LYS N N 15 1463 220 . . 819 LYS N 50457 1 149 . 1 1 166 166 ASN N N 15 3269 198 . . 820 ASN N 50457 1 150 . 1 1 167 167 THR N N 15 3185 423 . . 821 THR N 50457 1 151 . 1 1 168 168 HIS N N 15 2213 350 . . 822 HIS N 50457 1 152 . 1 1 174 174 ALA N N 15 2995 171 . . 828 ALA N 50457 1 153 . 1 1 175 175 TYR N N 15 1857 139 . . 829 TYR N 50457 1 154 . 1 1 176 176 ASP N N 15 2975 279 . . 830 ASP N 50457 1 155 . 1 1 178 178 GLU N N 15 3130 258 . . 832 GLU N 50457 1 156 . 1 1 179 179 VAL N N 15 2880 247 . . 833 VAL N 50457 1 157 . 1 1 180 180 ILE N N 15 2872 742 . . 834 ILE N 50457 1 158 . 1 1 181 181 ASP N N 15 3413 315 . . 835 ASP N 50457 1 159 . 1 1 182 182 ILE N N 15 2437 58 . . 836 ILE N 50457 1 160 . 1 1 183 183 PHE N N 15 2794 495 . . 837 PHE N 50457 1 161 . 1 1 184 184 LYS N N 15 2849 320 . . 838 LYS N 50457 1 162 . 1 1 185 185 ILE N N 15 1947 158 . . 839 ILE N 50457 1 163 . 1 1 186 186 GLU N N 15 1872 445 . . 840 GLU N 50457 1 164 . 1 1 188 188 GLU N N 15 2589 390 . . 842 GLU N 50457 1 165 . 1 1 190 190 GLU N N 15 2435 796 . . 844 GLU N 50457 1 166 . 1 1 192 192 GLN N N 15 2309 140 . . 846 GLN N 50457 1 167 . 1 1 193 193 ARG N N 15 3145 133 . . 847 ARG N 50457 1 168 . 1 1 194 194 TYR N N 15 3186 438 . . 848 TYR N 50457 1 169 . 1 1 197 197 PHE N N 15 3039 551 . . 851 PHE N 50457 1 170 . 1 1 198 198 LYS N N 15 2517 246 . . 852 LYS N 50457 1 171 . 1 1 199 199 GLN N N 15 1699 139 . . 853 GLN N 50457 1 172 . 1 1 200 200 LEU N N 15 2206 297 . . 854 LEU N 50457 1 173 . 1 1 201 201 HIS N N 15 2198 233 . . 855 HIS N 50457 1 174 . 1 1 202 202 ASN N N 15 2219 49 . . 856 ASN N 50457 1 175 . 1 1 203 203 ARG N N 15 2992 46 . . 857 ARG N 50457 1 176 . 1 1 204 204 ARG N N 15 3051 259 . . 858 ARG N 50457 1 177 . 1 1 205 205 LEU N N 15 2160 528 . . 859 LEU N 50457 1 178 . 1 1 206 206 LEU N N 15 3091 421 . . 860 LEU N 50457 1 179 . 1 1 207 207 TRP N N 15 3098 133 . . 861 TRP N 50457 1 180 . 1 1 208 208 HIS N N 15 2575 413 . . 862 HIS N 50457 1 181 . 1 1 210 210 SER N N 15 3238 293 . . 864 SER N 50457 1 182 . 1 1 211 211 ARG N N 15 2618 125 . . 865 ARG N 50457 1 183 . 1 1 212 212 THR N N 15 2883 351 . . 866 THR N 50457 1 184 . 1 1 213 213 THR N N 15 2522 414 . . 867 THR N 50457 1 185 . 1 1 214 214 ASN N N 15 1846 535 . . 868 ASN N 50457 1 186 . 1 1 215 215 PHE N N 15 3210 274 . . 869 PHE N 50457 1 187 . 1 1 216 216 ALA N N 15 3342 515 . . 870 ALA N 50457 1 188 . 1 1 217 217 GLY N N 15 2686 731 . . 871 GLY N 50457 1 189 . 1 1 218 218 ILE N N 15 2160 84 . . 872 ILE N 50457 1 190 . 1 1 219 219 LEU N N 15 1802 78 . . 873 LEU N 50457 1 191 . 1 1 220 220 SER N N 15 2472 286 . . 874 SER N 50457 1 192 . 1 1 221 221 GLN N N 15 2846 363 . . 875 GLN N 50457 1 193 . 1 1 222 222 GLY N N 15 2953 487 . . 876 GLY N 50457 1 194 . 1 1 223 223 LEU N N 15 2719 403 . . 877 LEU N 50457 1 195 . 1 1 224 224 ARG N N 15 2148 90 . . 878 ARG N 50457 1 196 . 1 1 225 225 ILE N N 15 2525 338 . . 879 ILE N 50457 1 197 . 1 1 226 226 ALA N N 15 2505 245 . . 880 ALA N 50457 1 198 . 1 1 229 229 GLU N N 15 3243 173 . . 883 GLU N 50457 1 199 . 1 1 230 230 ALA N N 15 3105 393 . . 884 ALA N 50457 1 200 . 1 1 234 234 GLY N N 15 2450 390 . . 888 GLY N 50457 1 201 . 1 1 235 235 TYR N N 15 2172 117 . . 889 TYR N 50457 1 202 . 1 1 236 236 MET N N 15 2805 270 . . 890 MET N 50457 1 203 . 1 1 238 238 GLY N N 15 2402 312 . . 892 GLY N 50457 1 204 . 1 1 239 239 LYS N N 15 2998 194 . . 893 LYS N 50457 1 205 . 1 1 240 240 GLY N N 15 3071 272 . . 894 GLY N 50457 1 206 . 1 1 242 242 TYR N N 15 1111 789 . . 896 TYR N 50457 1 207 . 1 1 244 244 ALA N N 15 2918 493 . . 898 ALA N 50457 1 208 . 1 1 245 245 ASP N N 15 1099 823 . . 899 ASP N 50457 1 209 . 1 1 249 249 LYS N N 15 3036 350 . . 903 LYS N 50457 1 210 . 1 1 251 251 ALA N N 15 2986 945 . . 905 ALA N 50457 1 211 . 1 1 252 252 ASN N N 15 2815 438 . . 906 ASN N 50457 1 212 . 1 1 253 253 TYR N N 15 2802 280 . . 907 TYR N 50457 1 213 . 1 1 254 254 CYS N N 15 2718 467 . . 908 CYS N 50457 1 214 . 1 1 255 255 HIS N N 15 3088 258 . . 909 HIS N 50457 1 215 . 1 1 256 256 THR N N 15 3582 343 . . 910 THR N 50457 1 216 . 1 1 257 257 SER N N 15 2193 264 . . 911 SER N 50457 1 217 . 1 1 258 258 GLN N N 15 2957 179 . . 912 GLN N 50457 1 218 . 1 1 259 259 GLY N N 15 1843 186 . . 913 GLY N 50457 1 219 . 1 1 260 260 ASP N N 15 3280 243 . . 914 ASP N 50457 1 220 . 1 1 262 262 ILE N N 15 2972 154 . . 916 ILE N 50457 1 221 . 1 1 263 263 GLY N N 15 3160 254 . . 917 GLY N 50457 1 222 . 1 1 264 264 LEU N N 15 3246 429 . . 918 LEU N 50457 1 223 . 1 1 265 265 ILE N N 15 3267 630 . . 919 ILE N 50457 1 224 . 1 1 267 267 LEU N N 15 3535 332 . . 921 LEU N 50457 1 225 . 1 1 270 270 VAL N N 15 2388 259 . . 924 VAL N 50457 1 226 . 1 1 271 271 ALA N N 15 2531 244 . . 925 ALA N 50457 1 227 . 1 1 272 272 LEU N N 15 3059 212 . . 926 LEU N 50457 1 228 . 1 1 275 275 MET N N 15 3181 236 . . 929 MET N 50457 1 229 . 1 1 276 276 TYR N N 15 1730 498 . . 930 TYR N 50457 1 230 . 1 1 277 277 GLU N N 15 2754 376 . . 931 GLU N 50457 1 231 . 1 1 278 278 LEU N N 15 3539 656 . . 932 LEU N 50457 1 232 . 1 1 279 279 LYS N N 15 3258 705 . . 933 LYS N 50457 1 233 . 1 1 280 280 HIS N N 15 2609 217 . . 934 HIS N 50457 1 234 . 1 1 281 281 ALA N N 15 1406 77 . . 935 ALA N 50457 1 235 . 1 1 282 282 SER N N 15 3014 143 . . 936 SER N 50457 1 236 . 1 1 284 284 ILE N N 15 1570 61 . . 938 ILE N 50457 1 237 . 1 1 286 286 LYS N N 15 2186 207 . . 940 LYS N 50457 1 238 . 1 1 289 289 LYS N N 15 3129 189 . . 943 LYS N 50457 1 239 . 1 1 290 290 GLY N N 15 161 109 . . 944 GLY N 50457 1 240 . 1 1 291 291 LYS N N 15 3342 139 . . 945 LYS N 50457 1 241 . 1 1 292 292 HIS N N 15 2908 514 . . 946 HIS N 50457 1 242 . 1 1 293 293 SER N N 15 3036 190 . . 947 SER N 50457 1 243 . 1 1 294 294 VAL N N 15 2917 376 . . 948 VAL N 50457 1 244 . 1 1 295 295 LYS N N 15 3416 932 . . 949 LYS N 50457 1 245 . 1 1 296 296 GLY N N 15 3465 768 . . 950 GLY N 50457 1 246 . 1 1 297 297 LEU N N 15 2185 384 . . 951 LEU N 50457 1 247 . 1 1 298 298 GLY N N 15 2475 242 . . 952 GLY N 50457 1 248 . 1 1 299 299 LYS N N 15 2517 334 . . 953 LYS N 50457 1 249 . 1 1 300 300 THR N N 15 2235 338 . . 954 THR N 50457 1 250 . 1 1 301 301 THR N N 15 3187 418 . . 955 THR N 50457 1 251 . 1 1 303 303 ASP N N 15 3431 542 . . 957 ASP N 50457 1 252 . 1 1 305 305 SER N N 15 2943 200 . . 959 SER N 50457 1 253 . 1 1 306 306 ALA N N 15 3522 245 . . 960 ALA N 50457 1 254 . 1 1 307 307 ASN N N 15 2506 102 . . 961 ASN N 50457 1 255 . 1 1 308 308 ILE N N 15 3271 180 . . 962 ILE N 50457 1 256 . 1 1 309 309 SER N N 15 3094 509 . . 963 SER N 50457 1 257 . 1 1 310 310 LEU N N 15 2647 666 . . 964 LEU N 50457 1 258 . 1 1 311 311 ASP N N 15 3482 516 . . 965 ASP N 50457 1 259 . 1 1 312 312 GLY N N 15 1870 336 . . 966 GLY N 50457 1 260 . 1 1 313 313 VAL N N 15 2662 143 . . 967 VAL N 50457 1 261 . 1 1 314 314 ASP N N 15 2473 347 . . 968 ASP N 50457 1 262 . 1 1 315 315 VAL N N 15 2156 173 . . 969 VAL N 50457 1 263 . 1 1 317 317 LEU N N 15 947 36 . . 971 LEU N 50457 1 264 . 1 1 318 318 GLY N N 15 2138 173 . . 972 GLY N 50457 1 265 . 1 1 319 319 THR N N 15 2664 110 . . 973 THR N 50457 1 266 . 1 1 320 320 GLY N N 15 2708 136 . . 974 GLY N 50457 1 267 . 1 1 321 321 ILE N N 15 2910 368 . . 975 ILE N 50457 1 268 . 1 1 322 322 SER N N 15 2880 280 . . 976 SER N 50457 1 269 . 1 1 324 324 GLY N N 15 2397 255 . . 978 GLY N 50457 1 270 . 1 1 325 325 VAL N N 15 2399 145 . . 979 VAL N 50457 1 271 . 1 1 326 326 ASN N N 15 1702 358 . . 980 ASN N 50457 1 272 . 1 1 327 327 ASP N N 15 2794 927 . . 981 ASP N 50457 1 273 . 1 1 328 328 THR N N 15 2604 215 . . 982 THR N 50457 1 274 . 1 1 329 329 SER N N 15 2356 234 . . 983 SER N 50457 1 275 . 1 1 330 330 LEU N N 15 1921 140 . . 984 LEU N 50457 1 276 . 1 1 331 331 LEU N N 15 2791 244 . . 985 LEU N 50457 1 277 . 1 1 332 332 TYR N N 15 1972 239 . . 986 TYR N 50457 1 278 . 1 1 334 334 GLU N N 15 2506 228 . . 988 GLU N 50457 1 279 . 1 1 336 336 ILE N N 15 3164 369 . . 990 ILE N 50457 1 280 . 1 1 337 337 VAL N N 15 1992 281 . . 991 VAL N 50457 1 281 . 1 1 338 338 TYR N N 15 2830 384 . . 992 TYR N 50457 1 282 . 1 1 339 339 ASP N N 15 3340 218 . . 993 ASP N 50457 1 283 . 1 1 340 340 ILE N N 15 2317 118 . . 994 ILE N 50457 1 284 . 1 1 341 341 ALA N N 15 2732 447 . . 995 ALA N 50457 1 285 . 1 1 342 342 GLN N N 15 1972 486 . . 996 GLN N 50457 1 286 . 1 1 343 343 VAL N N 15 2564 204 . . 997 VAL N 50457 1 287 . 1 1 344 344 ASN N N 15 2807 536 . . 998 ASN N 50457 1 288 . 1 1 346 346 LYS N N 15 1517 288 . . 1000 LYS N 50457 1 289 . 1 1 350 350 LYS N N 15 3365 257 . . 1004 LYS N 50457 1 290 . 1 1 351 351 LEU N N 15 3294 378 . . 1005 LEU N 50457 1 291 . 1 1 352 352 LYS N N 15 3547 464 . . 1006 LYS N 50457 1 292 . 1 1 353 353 PHE N N 15 2666 205 . . 1007 PHE N 50457 1 293 . 1 1 354 354 ASN N N 15 3350 260 . . 1008 ASN N 50457 1 294 . 1 1 355 355 PHE N N 15 1323 65 . . 1009 PHE N 50457 1 295 . 1 1 356 356 LYS N N 15 1951 283 . . 1010 LYS N 50457 1 296 . 1 1 357 357 THR N N 15 954 21 . . 1011 THR N 50457 1 297 . 1 1 359 359 LEU N N 15 910 8 . . 1013 LEU N 50457 1 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Entry_ID 50457 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name . _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 800 _Heteronucl_T1rho_list.Temp_calibration_method na _Heteronucl_T1rho_list.Temp_control_method na _Heteronucl_T1rho_list.T1rho_coherence_type Nz _Heteronucl_T1rho_list.T1rho_val_units ms _Heteronucl_T1rho_list.Rex_units ms _Heteronucl_T1rho_list.Details ; The pulse sequences used are those described in: Lakomek et al. (2012), J. Biomol. NMR, 53, 209-21. The B1 field strength and offset for the T1rho experiments were 1.56 KHz and 117.074 ppm respectively. The T1rho values given here are all corrected for 15N offset using equation (1) of Lakomek et al. ; _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 5 '2D 1H-15N TROSY-based 15N T1rho measurement' 1 $sample_1 . 50457 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 3 3 VAL N N 15 133.53 2.60 . . . . 657 VAL N 50457 1 2 . 1 1 4 4 ASN N N 15 70.20 3.30 . . . . 658 ASN N 50457 1 3 . 1 1 6 6 GLY N N 15 49.81 1.63 . . . . 660 GLY N 50457 1 4 . 1 1 7 7 THR N N 15 46.96 0.32 . . . . 661 THR N 50457 1 5 . 1 1 9 9 SER N N 15 36.89 1.98 . . . . 663 SER N 50457 1 6 . 1 1 10 10 LYS N N 15 29.11 0.96 . . . . 664 LYS N 50457 1 7 . 1 1 11 11 LEU N N 15 59.80 1.14 . . . . 665 LEU N 50457 1 8 . 1 1 15 15 VAL N N 15 23.43 1.24 . . . . 669 VAL N 50457 1 9 . 1 1 16 16 GLN N N 15 21.50 0.46 . . . . 670 GLN N 50457 1 10 . 1 1 17 17 ASP N N 15 24.00 1.24 . . . . 671 ASP N 50457 1 11 . 1 1 18 18 LEU N N 15 20.89 1.28 . . . . 672 LEU N 50457 1 12 . 1 1 19 19 ILE N N 15 13.31 1.65 . . . . 673 ILE N 50457 1 13 . 1 1 20 20 LYS N N 15 17.49 0.79 . . . . 674 LYS N 50457 1 14 . 1 1 21 21 MET N N 15 22.68 0.75 . . . . 675 MET N 50457 1 15 . 1 1 22 22 ILE N N 15 30.49 3.48 . . . . 676 ILE N 50457 1 16 . 1 1 23 23 PHE N N 15 24.99 2.09 . . . . 677 PHE N 50457 1 17 . 1 1 24 24 ASP N N 15 26.47 0.40 . . . . 678 ASP N 50457 1 18 . 1 1 25 25 VAL N N 15 19.03 1.16 . . . . 679 VAL N 50457 1 19 . 1 1 26 26 GLU N N 15 23.39 1.61 . . . . 680 GLU N 50457 1 20 . 1 1 27 27 SER N N 15 18.47 1.41 . . . . 681 SER N 50457 1 21 . 1 1 28 28 MET N N 15 19.84 1.52 . . . . 682 MET N 50457 1 22 . 1 1 29 29 LYS N N 15 30.85 2.67 . . . . 683 LYS N 50457 1 23 . 1 1 30 30 LYS N N 15 22.06 0.82 . . . . 684 LYS N 50457 1 24 . 1 1 31 31 ALA N N 15 21.10 0.92 . . . . 685 ALA N 50457 1 25 . 1 1 32 32 MET N N 15 24.40 1.63 . . . . 686 MET N 50457 1 26 . 1 1 33 33 VAL N N 15 21.19 0.91 . . . . 687 VAL N 50457 1 27 . 1 1 34 34 GLU N N 15 13.87 0.64 . . . . 688 GLU N 50457 1 28 . 1 1 35 35 TYR N N 15 24.60 1.31 . . . . 689 TYR N 50457 1 29 . 1 1 36 36 GLU N N 15 16.75 1.35 . . . . 690 GLU N 50457 1 30 . 1 1 37 37 ILE N N 15 22.98 0.65 . . . . 691 ILE N 50457 1 31 . 1 1 39 39 LEU N N 15 19.79 0.96 . . . . 693 LEU N 50457 1 32 . 1 1 40 40 GLN N N 15 21.73 0.27 . . . . 694 GLN N 50457 1 33 . 1 1 41 41 LYS N N 15 24.19 0.90 . . . . 695 LYS N 50457 1 34 . 1 1 42 42 MET N N 15 23.38 0.60 . . . . 696 MET N 50457 1 35 . 1 1 44 44 LEU N N 15 26.97 1.38 . . . . 698 LEU N 50457 1 36 . 1 1 46 46 LYS N N 15 23.32 1.04 . . . . 700 LYS N 50457 1 37 . 1 1 47 47 LEU N N 15 15.34 0.78 . . . . 701 LEU N 50457 1 38 . 1 1 48 48 SER N N 15 15.14 1.10 . . . . 702 SER N 50457 1 39 . 1 1 50 50 ARG N N 15 26.51 1.39 . . . . 704 ARG N 50457 1 40 . 1 1 51 51 GLN N N 15 20.28 0.74 . . . . 705 GLN N 50457 1 41 . 1 1 52 52 ILE N N 15 19.52 1.44 . . . . 706 ILE N 50457 1 42 . 1 1 53 53 GLN N N 15 17.93 0.60 . . . . 707 GLN N 50457 1 43 . 1 1 54 54 ALA N N 15 22.28 0.97 . . . . 708 ALA N 50457 1 44 . 1 1 55 55 ALA N N 15 16.67 0.63 . . . . 709 ALA N 50457 1 45 . 1 1 56 56 TYR N N 15 24.29 1.21 . . . . 710 TYR N 50457 1 46 . 1 1 57 57 SER N N 15 20.69 0.67 . . . . 711 SER N 50457 1 47 . 1 1 58 58 ILE N N 15 19.84 0.94 . . . . 712 ILE N 50457 1 48 . 1 1 59 59 LEU N N 15 16.33 0.96 . . . . 713 LEU N 50457 1 49 . 1 1 60 60 SER N N 15 23.65 1.84 . . . . 714 SER N 50457 1 50 . 1 1 61 61 GLU N N 15 17.65 0.89 . . . . 715 GLU N 50457 1 51 . 1 1 62 62 VAL N N 15 20.60 0.49 . . . . 716 VAL N 50457 1 52 . 1 1 63 63 GLN N N 15 26.20 1.03 . . . . 717 GLN N 50457 1 53 . 1 1 64 64 GLN N N 15 20.99 0.83 . . . . 718 GLN N 50457 1 54 . 1 1 65 65 ALA N N 15 9.47 1.68 . . . . 719 ALA N 50457 1 55 . 1 1 66 66 VAL N N 15 20.93 0.31 . . . . 720 VAL N 50457 1 56 . 1 1 67 67 SER N N 15 20.47 0.89 . . . . 721 SER N 50457 1 57 . 1 1 68 68 GLN N N 15 24.97 2.31 . . . . 722 GLN N 50457 1 58 . 1 1 69 69 GLY N N 15 24.96 0.71 . . . . 723 GLY N 50457 1 59 . 1 1 70 70 SER N N 15 40.48 0.71 . . . . 724 SER N 50457 1 60 . 1 1 71 71 SER N N 15 37.73 0.94 . . . . 725 SER N 50457 1 61 . 1 1 72 72 ASP N N 15 22.56 0.77 . . . . 726 ASP N 50457 1 62 . 1 1 73 73 SER N N 15 23.70 0.32 . . . . 727 SER N 50457 1 63 . 1 1 74 74 GLN N N 15 22.83 0.40 . . . . 728 GLN N 50457 1 64 . 1 1 75 75 ILE N N 15 22.65 1.00 . . . . 729 ILE N 50457 1 65 . 1 1 76 76 LEU N N 15 21.00 1.90 . . . . 730 LEU N 50457 1 66 . 1 1 77 77 ASP N N 15 22.31 0.92 . . . . 731 ASP N 50457 1 67 . 1 1 78 78 LEU N N 15 22.93 0.79 . . . . 732 LEU N 50457 1 68 . 1 1 80 80 ASN N N 15 19.20 0.66 . . . . 734 ASN N 50457 1 69 . 1 1 81 81 ARG N N 15 21.79 1.10 . . . . 735 ARG N 50457 1 70 . 1 1 82 82 PHE N N 15 23.82 1.04 . . . . 736 PHE N 50457 1 71 . 1 1 83 83 TYR N N 15 25.11 1.48 . . . . 737 TYR N 50457 1 72 . 1 1 84 84 THR N N 15 23.42 1.21 . . . . 738 THR N 50457 1 73 . 1 1 85 85 LEU N N 15 21.97 1.05 . . . . 739 LEU N 50457 1 74 . 1 1 86 86 ILE N N 15 24.09 0.77 . . . . 740 ILE N 50457 1 75 . 1 1 88 88 HIS N N 15 23.75 3.00 . . . . 742 HIS N 50457 1 76 . 1 1 89 89 ASP N N 15 16.37 0.76 . . . . 743 ASP N 50457 1 77 . 1 1 90 90 PHE N N 15 32.64 1.80 . . . . 744 PHE N 50457 1 78 . 1 1 91 91 GLY N N 15 24.87 0.49 . . . . 745 GLY N 50457 1 79 . 1 1 92 92 MET N N 15 11.46 2.33 . . . . 746 MET N 50457 1 80 . 1 1 93 93 LYS N N 15 22.70 0.51 . . . . 747 LYS N 50457 1 81 . 1 1 94 94 LYS N N 15 29.95 0.91 . . . . 748 LYS N 50457 1 82 . 1 1 97 97 LEU N N 15 24.75 1.48 . . . . 751 LEU N 50457 1 83 . 1 1 99 99 ASN N N 15 26.41 0.63 . . . . 753 ASN N 50457 1 84 . 1 1 100 100 ASN N N 15 22.83 0.64 . . . . 754 ASN N 50457 1 85 . 1 1 101 101 ALA N N 15 21.31 3.19 . . . . 755 ALA N 50457 1 86 . 1 1 102 102 ASP N N 15 23.88 0.68 . . . . 756 ASP N 50457 1 87 . 1 1 103 103 SER N N 15 20.69 0.76 . . . . 757 SER N 50457 1 88 . 1 1 104 104 VAL N N 15 25.11 1.05 . . . . 758 VAL N 50457 1 89 . 1 1 105 105 GLN N N 15 20.56 0.92 . . . . 759 GLN N 50457 1 90 . 1 1 106 106 ALA N N 15 20.64 0.62 . . . . 760 ALA N 50457 1 91 . 1 1 107 107 LYS N N 15 20.35 0.37 . . . . 761 LYS N 50457 1 92 . 1 1 108 108 ALA N N 15 20.42 0.57 . . . . 762 ALA N 50457 1 93 . 1 1 109 109 GLU N N 15 20.73 1.59 . . . . 763 GLU N 50457 1 94 . 1 1 110 110 MET N N 15 19.13 0.76 . . . . 764 MET N 50457 1 95 . 1 1 112 112 ASP N N 15 23.59 0.99 . . . . 766 ASP N 50457 1 96 . 1 1 113 113 ASN N N 15 21.19 1.31 . . . . 767 ASN N 50457 1 97 . 1 1 114 114 LEU N N 15 16.86 1.26 . . . . 768 LEU N 50457 1 98 . 1 1 115 115 LEU N N 15 19.95 2.19 . . . . 769 LEU N 50457 1 99 . 1 1 116 116 ASP N N 15 22.89 1.24 . . . . 770 ASP N 50457 1 100 . 1 1 117 117 ILE N N 15 19.94 0.72 . . . . 771 ILE N 50457 1 101 . 1 1 119 119 VAL N N 15 20.36 1.91 . . . . 773 VAL N 50457 1 102 . 1 1 121 121 TYR N N 15 18.25 0.78 . . . . 775 TYR N 50457 1 103 . 1 1 122 122 SER N N 15 20.41 2.27 . . . . 776 SER N 50457 1 104 . 1 1 123 123 LEU N N 15 28.21 2.13 . . . . 777 LEU N 50457 1 105 . 1 1 124 124 LEU N N 15 28.61 2.91 . . . . 778 LEU N 50457 1 106 . 1 1 125 125 ARG N N 15 22.76 0.78 . . . . 779 ARG N 50457 1 107 . 1 1 126 126 GLY N N 15 34.12 0.75 . . . . 780 GLY N 50457 1 108 . 1 1 127 127 GLY N N 15 50.39 1.43 . . . . 781 GLY N 50457 1 109 . 1 1 128 128 SER N N 15 47.15 0.96 . . . . 782 SER N 50457 1 110 . 1 1 129 129 ASP N N 15 42.73 2.21 . . . . 783 ASP N 50457 1 111 . 1 1 130 130 ASP N N 15 43.84 1.21 . . . . 784 ASP N 50457 1 112 . 1 1 131 131 SER N N 15 26.28 1.19 . . . . 785 SER N 50457 1 113 . 1 1 132 132 SER N N 15 33.79 1.10 . . . . 786 SER N 50457 1 114 . 1 1 133 133 LYS N N 15 25.17 0.53 . . . . 787 LYS N 50457 1 115 . 1 1 134 134 ASP N N 15 26.89 1.09 . . . . 788 ASP N 50457 1 116 . 1 1 136 136 ILE N N 15 21.97 0.75 . . . . 790 ILE N 50457 1 117 . 1 1 137 137 ASP N N 15 23.37 1.06 . . . . 791 ASP N 50457 1 118 . 1 1 138 138 VAL N N 15 20.27 0.46 . . . . 792 VAL N 50457 1 119 . 1 1 139 139 ASN N N 15 17.77 1.37 . . . . 793 ASN N 50457 1 120 . 1 1 140 140 TYR N N 15 17.41 0.98 . . . . 794 TYR N 50457 1 121 . 1 1 141 141 GLU N N 15 28.13 2.80 . . . . 795 GLU N 50457 1 122 . 1 1 142 142 LYS N N 15 23.99 1.25 . . . . 796 LYS N 50457 1 123 . 1 1 143 143 LEU N N 15 25.92 1.53 . . . . 797 LEU N 50457 1 124 . 1 1 144 144 LYS N N 15 22.53 1.21 . . . . 798 LYS N 50457 1 125 . 1 1 145 145 THR N N 15 25.82 1.62 . . . . 799 THR N 50457 1 126 . 1 1 146 146 ASP N N 15 35.41 2.32 . . . . 800 ASP N 50457 1 127 . 1 1 148 148 LYS N N 15 20.91 0.86 . . . . 802 LYS N 50457 1 128 . 1 1 149 149 VAL N N 15 23.20 0.31 . . . . 803 VAL N 50457 1 129 . 1 1 150 150 VAL N N 15 18.54 1.67 . . . . 804 VAL N 50457 1 130 . 1 1 151 151 ASP N N 15 24.53 0.80 . . . . 805 ASP N 50457 1 131 . 1 1 152 152 ARG N N 15 20.33 1.56 . . . . 806 ARG N 50457 1 132 . 1 1 153 153 ASP N N 15 24.34 0.70 . . . . 807 ASP N 50457 1 133 . 1 1 154 154 SER N N 15 26.78 0.65 . . . . 808 SER N 50457 1 134 . 1 1 155 155 GLU N N 15 23.44 1.09 . . . . 809 GLU N 50457 1 135 . 1 1 156 156 GLU N N 15 21.11 0.62 . . . . 810 GLU N 50457 1 136 . 1 1 157 157 ALA N N 15 21.92 1.54 . . . . 811 ALA N 50457 1 137 . 1 1 158 158 GLU N N 15 22.17 0.52 . . . . 812 GLU N 50457 1 138 . 1 1 159 159 ILE N N 15 22.41 0.90 . . . . 813 ILE N 50457 1 139 . 1 1 160 160 ILE N N 15 25.34 1.20 . . . . 814 ILE N 50457 1 140 . 1 1 162 162 LYS N N 15 21.08 0.48 . . . . 816 LYS N 50457 1 141 . 1 1 163 163 TYR N N 15 29.67 1.97 . . . . 817 TYR N 50457 1 142 . 1 1 164 164 VAL N N 15 18.60 2.12 . . . . 818 VAL N 50457 1 143 . 1 1 165 165 LYS N N 15 39.26 5.32 . . . . 819 LYS N 50457 1 144 . 1 1 166 166 ASN N N 15 22.18 2.10 . . . . 820 ASN N 50457 1 145 . 1 1 167 167 THR N N 15 22.33 1.06 . . . . 821 THR N 50457 1 146 . 1 1 168 168 HIS N N 15 12.79 1.52 . . . . 822 HIS N 50457 1 147 . 1 1 174 174 ALA N N 15 22.70 0.72 . . . . 828 ALA N 50457 1 148 . 1 1 175 175 TYR N N 15 34.90 2.39 . . . . 829 TYR N 50457 1 149 . 1 1 176 176 ASP N N 15 22.01 1.65 . . . . 830 ASP N 50457 1 150 . 1 1 178 178 GLU N N 15 20.95 0.92 . . . . 832 GLU N 50457 1 151 . 1 1 179 179 VAL N N 15 23.00 1.22 . . . . 833 VAL N 50457 1 152 . 1 1 180 180 ILE N N 15 16.61 1.08 . . . . 834 ILE N 50457 1 153 . 1 1 181 181 ASP N N 15 24.61 0.67 . . . . 835 ASP N 50457 1 154 . 1 1 182 182 ILE N N 15 26.14 0.94 . . . . 836 ILE N 50457 1 155 . 1 1 183 183 PHE N N 15 21.20 2.29 . . . . 837 PHE N 50457 1 156 . 1 1 184 184 LYS N N 15 21.28 3.40 . . . . 838 LYS N 50457 1 157 . 1 1 185 185 ILE N N 15 46.78 3.09 . . . . 839 ILE N 50457 1 158 . 1 1 186 186 GLU N N 15 29.11 4.95 . . . . 840 GLU N 50457 1 159 . 1 1 188 188 GLU N N 15 22.20 3.46 . . . . 842 GLU N 50457 1 160 . 1 1 190 190 GLU N N 15 19.00 0.50 . . . . 844 GLU N 50457 1 161 . 1 1 192 192 GLN N N 15 19.61 1.22 . . . . 846 GLN N 50457 1 162 . 1 1 193 193 ARG N N 15 20.36 1.45 . . . . 847 ARG N 50457 1 163 . 1 1 194 194 TYR N N 15 14.97 0.72 . . . . 848 TYR N 50457 1 164 . 1 1 197 197 PHE N N 15 23.82 2.75 . . . . 851 PHE N 50457 1 165 . 1 1 198 198 LYS N N 15 24.75 3.90 . . . . 852 LYS N 50457 1 166 . 1 1 199 199 GLN N N 15 23.68 2.59 . . . . 853 GLN N 50457 1 167 . 1 1 200 200 LEU N N 15 20.81 0.48 . . . . 854 LEU N 50457 1 168 . 1 1 201 201 HIS N N 15 19.33 1.49 . . . . 855 HIS N 50457 1 169 . 1 1 202 202 ASN N N 15 26.11 0.76 . . . . 856 ASN N 50457 1 170 . 1 1 203 203 ARG N N 15 41.15 3.09 . . . . 857 ARG N 50457 1 171 . 1 1 204 204 ARG N N 15 26.43 1.11 . . . . 858 ARG N 50457 1 172 . 1 1 205 205 LEU N N 15 32.27 1.88 . . . . 859 LEU N 50457 1 173 . 1 1 206 206 LEU N N 15 19.43 1.38 . . . . 860 LEU N 50457 1 174 . 1 1 207 207 TRP N N 15 25.00 1.60 . . . . 861 TRP N 50457 1 175 . 1 1 208 208 HIS N N 15 17.52 2.53 . . . . 862 HIS N 50457 1 176 . 1 1 210 210 SER N N 15 25.39 1.75 . . . . 864 SER N 50457 1 177 . 1 1 211 211 ARG N N 15 24.24 1.32 . . . . 865 ARG N 50457 1 178 . 1 1 212 212 THR N N 15 25.12 2.03 . . . . 866 THR N 50457 1 179 . 1 1 213 213 THR N N 15 17.30 1.57 . . . . 867 THR N 50457 1 180 . 1 1 215 215 PHE N N 15 21.94 1.13 . . . . 869 PHE N 50457 1 181 . 1 1 216 216 ALA N N 15 19.64 2.70 . . . . 870 ALA N 50457 1 182 . 1 1 217 217 GLY N N 15 22.39 2.36 . . . . 871 GLY N 50457 1 183 . 1 1 218 218 ILE N N 15 23.19 1.46 . . . . 872 ILE N 50457 1 184 . 1 1 219 219 LEU N N 15 27.81 2.20 . . . . 873 LEU N 50457 1 185 . 1 1 220 220 SER N N 15 20.30 2.11 . . . . 874 SER N 50457 1 186 . 1 1 221 221 GLN N N 15 21.02 0.86 . . . . 875 GLN N 50457 1 187 . 1 1 222 222 GLY N N 15 24.32 3.40 . . . . 876 GLY N 50457 1 188 . 1 1 223 223 LEU N N 15 26.60 1.47 . . . . 877 LEU N 50457 1 189 . 1 1 224 224 ARG N N 15 29.46 1.28 . . . . 878 ARG N 50457 1 190 . 1 1 225 225 ILE N N 15 23.65 3.65 . . . . 879 ILE N 50457 1 191 . 1 1 226 226 ALA N N 15 24.68 0.30 . . . . 880 ALA N 50457 1 192 . 1 1 229 229 GLU N N 15 23.13 1.79 . . . . 883 GLU N 50457 1 193 . 1 1 230 230 ALA N N 15 20.17 0.70 . . . . 884 ALA N 50457 1 194 . 1 1 234 234 GLY N N 15 16.27 1.01 . . . . 888 GLY N 50457 1 195 . 1 1 235 235 TYR N N 15 37.42 2.39 . . . . 889 TYR N 50457 1 196 . 1 1 236 236 MET N N 15 20.84 1.57 . . . . 890 MET N 50457 1 197 . 1 1 238 238 GLY N N 15 26.91 0.90 . . . . 892 GLY N 50457 1 198 . 1 1 239 239 LYS N N 15 24.90 1.73 . . . . 893 LYS N 50457 1 199 . 1 1 240 240 GLY N N 15 29.71 0.85 . . . . 894 GLY N 50457 1 200 . 1 1 242 242 TYR N N 15 16.81 5.39 . . . . 896 TYR N 50457 1 201 . 1 1 244 244 ALA N N 15 21.16 2.06 . . . . 898 ALA N 50457 1 202 . 1 1 245 245 ASP N N 15 21.52 7.18 . . . . 899 ASP N 50457 1 203 . 1 1 249 249 LYS N N 15 16.48 1.99 . . . . 903 LYS N 50457 1 204 . 1 1 251 251 ALA N N 15 14.09 1.29 . . . . 905 ALA N 50457 1 205 . 1 1 252 252 ASN N N 15 19.93 0.34 . . . . 906 ASN N 50457 1 206 . 1 1 253 253 TYR N N 15 20.39 1.55 . . . . 907 TYR N 50457 1 207 . 1 1 254 254 CYS N N 15 14.69 2.65 . . . . 908 CYS N 50457 1 208 . 1 1 255 255 HIS N N 15 24.92 1.17 . . . . 909 HIS N 50457 1 209 . 1 1 256 256 THR N N 15 21.52 0.90 . . . . 910 THR N 50457 1 210 . 1 1 257 257 SER N N 15 13.44 0.96 . . . . 911 SER N 50457 1 211 . 1 1 258 258 GLN N N 15 19.16 0.36 . . . . 912 GLN N 50457 1 212 . 1 1 259 259 GLY N N 15 19.55 0.89 . . . . 913 GLY N 50457 1 213 . 1 1 260 260 ASP N N 15 25.04 0.81 . . . . 914 ASP N 50457 1 214 . 1 1 262 262 ILE N N 15 20.29 0.23 . . . . 916 ILE N 50457 1 215 . 1 1 263 263 GLY N N 15 20.95 1.61 . . . . 917 GLY N 50457 1 216 . 1 1 264 264 LEU N N 15 20.15 1.42 . . . . 918 LEU N 50457 1 217 . 1 1 265 265 ILE N N 15 22.81 1.81 . . . . 919 ILE N 50457 1 218 . 1 1 267 267 LEU N N 15 20.19 1.47 . . . . 921 LEU N 50457 1 219 . 1 1 270 270 VAL N N 15 20.24 1.57 . . . . 924 VAL N 50457 1 220 . 1 1 271 271 ALA N N 15 23.24 1.78 . . . . 925 ALA N 50457 1 221 . 1 1 272 272 LEU N N 15 21.52 0.75 . . . . 926 LEU N 50457 1 222 . 1 1 275 275 MET N N 15 22.09 1.15 . . . . 929 MET N 50457 1 223 . 1 1 276 276 TYR N N 15 21.93 4.05 . . . . 930 TYR N 50457 1 224 . 1 1 277 277 GLU N N 15 23.45 0.91 . . . . 931 GLU N 50457 1 225 . 1 1 278 278 LEU N N 15 19.86 2.44 . . . . 932 LEU N 50457 1 226 . 1 1 279 279 LYS N N 15 20.96 3.00 . . . . 933 LYS N 50457 1 227 . 1 1 280 280 HIS N N 15 24.61 1.20 . . . . 934 HIS N 50457 1 228 . 1 1 281 281 ALA N N 15 36.32 1.38 . . . . 935 ALA N 50457 1 229 . 1 1 282 282 SER N N 15 24.21 1.08 . . . . 936 SER N 50457 1 230 . 1 1 284 284 ILE N N 15 36.63 1.33 . . . . 938 ILE N 50457 1 231 . 1 1 286 286 LYS N N 15 36.24 5.63 . . . . 940 LYS N 50457 1 232 . 1 1 289 289 LYS N N 15 22.14 0.43 . . . . 943 LYS N 50457 1 233 . 1 1 290 290 GLY N N 15 8.57 3.37 . . . . 944 GLY N 50457 1 234 . 1 1 291 291 LYS N N 15 22.09 1.16 . . . . 945 LYS N 50457 1 235 . 1 1 292 292 HIS N N 15 22.17 3.77 . . . . 946 HIS N 50457 1 236 . 1 1 293 293 SER N N 15 20.12 0.75 . . . . 947 SER N 50457 1 237 . 1 1 294 294 VAL N N 15 20.38 1.53 . . . . 948 VAL N 50457 1 238 . 1 1 295 295 LYS N N 15 22.30 2.18 . . . . 949 LYS N 50457 1 239 . 1 1 296 296 GLY N N 15 24.31 6.36 . . . . 950 GLY N 50457 1 240 . 1 1 297 297 LEU N N 15 28.12 2.24 . . . . 951 LEU N 50457 1 241 . 1 1 298 298 GLY N N 15 22.53 0.90 . . . . 952 GLY N 50457 1 242 . 1 1 299 299 LYS N N 15 21.89 1.32 . . . . 953 LYS N 50457 1 243 . 1 1 300 300 THR N N 15 20.18 1.81 . . . . 954 THR N 50457 1 244 . 1 1 301 301 THR N N 15 22.21 1.51 . . . . 955 THR N 50457 1 245 . 1 1 303 303 ASP N N 15 23.87 1.57 . . . . 957 ASP N 50457 1 246 . 1 1 305 305 SER N N 15 20.65 1.34 . . . . 959 SER N 50457 1 247 . 1 1 306 306 ALA N N 15 19.90 0.27 . . . . 960 ALA N 50457 1 248 . 1 1 307 307 ASN N N 15 24.38 0.69 . . . . 961 ASN N 50457 1 249 . 1 1 308 308 ILE N N 15 21.62 0.63 . . . . 962 ILE N 50457 1 250 . 1 1 309 309 SER N N 15 23.22 0.78 . . . . 963 SER N 50457 1 251 . 1 1 310 310 LEU N N 15 23.95 1.13 . . . . 964 LEU N 50457 1 252 . 1 1 311 311 ASP N N 15 22.69 1.99 . . . . 965 ASP N 50457 1 253 . 1 1 312 312 GLY N N 15 24.71 0.74 . . . . 966 GLY N 50457 1 254 . 1 1 313 313 VAL N N 15 22.91 0.71 . . . . 967 VAL N 50457 1 255 . 1 1 314 314 ASP N N 15 24.73 2.89 . . . . 968 ASP N 50457 1 256 . 1 1 315 315 VAL N N 15 22.75 1.53 . . . . 969 VAL N 50457 1 257 . 1 1 318 318 GLY N N 15 22.42 1.35 . . . . 972 GLY N 50457 1 258 . 1 1 319 319 THR N N 15 26.89 0.74 . . . . 973 THR N 50457 1 259 . 1 1 320 320 GLY N N 15 24.64 1.29 . . . . 974 GLY N 50457 1 260 . 1 1 321 321 ILE N N 15 22.02 1.86 . . . . 975 ILE N 50457 1 261 . 1 1 322 322 SER N N 15 21.90 1.11 . . . . 976 SER N 50457 1 262 . 1 1 324 324 GLY N N 15 21.89 0.71 . . . . 978 GLY N 50457 1 263 . 1 1 325 325 VAL N N 15 22.45 0.93 . . . . 979 VAL N 50457 1 264 . 1 1 326 326 ASN N N 15 19.21 2.21 . . . . 980 ASN N 50457 1 265 . 1 1 327 327 ASP N N 15 21.28 0.60 . . . . 981 ASP N 50457 1 266 . 1 1 328 328 THR N N 15 29.37 0.64 . . . . 982 THR N 50457 1 267 . 1 1 329 329 SER N N 15 22.40 1.14 . . . . 983 SER N 50457 1 268 . 1 1 330 330 LEU N N 15 20.45 1.59 . . . . 984 LEU N 50457 1 269 . 1 1 331 331 LEU N N 15 19.85 0.60 . . . . 985 LEU N 50457 1 270 . 1 1 332 332 TYR N N 15 24.78 0.28 . . . . 986 TYR N 50457 1 271 . 1 1 334 334 GLU N N 15 22.84 0.66 . . . . 988 GLU N 50457 1 272 . 1 1 336 336 ILE N N 15 16.91 1.38 . . . . 990 ILE N 50457 1 273 . 1 1 338 338 TYR N N 15 24.22 3.08 . . . . 992 TYR N 50457 1 274 . 1 1 339 339 ASP N N 15 23.21 1.31 . . . . 993 ASP N 50457 1 275 . 1 1 340 340 ILE N N 15 21.71 1.67 . . . . 994 ILE N 50457 1 276 . 1 1 341 341 ALA N N 15 20.02 2.81 . . . . 995 ALA N 50457 1 277 . 1 1 342 342 GLN N N 15 24.78 1.18 . . . . 996 GLN N 50457 1 278 . 1 1 343 343 VAL N N 15 22.59 1.52 . . . . 997 VAL N 50457 1 279 . 1 1 344 344 ASN N N 15 21.17 1.26 . . . . 998 ASN N 50457 1 280 . 1 1 346 346 LYS N N 15 14.66 1.51 . . . . 1000 LYS N 50457 1 281 . 1 1 350 350 LYS N N 15 23.36 0.76 . . . . 1004 LYS N 50457 1 282 . 1 1 351 351 LEU N N 15 24.22 3.62 . . . . 1005 LEU N 50457 1 283 . 1 1 352 352 LYS N N 15 25.00 1.53 . . . . 1006 LYS N 50457 1 284 . 1 1 353 353 PHE N N 15 20.12 1.88 . . . . 1007 PHE N 50457 1 285 . 1 1 354 354 ASN N N 15 25.20 1.52 . . . . 1008 ASN N 50457 1 286 . 1 1 355 355 PHE N N 15 61.22 1.93 . . . . 1009 PHE N 50457 1 287 . 1 1 356 356 LYS N N 15 31.90 0.52 . . . . 1010 LYS N 50457 1 288 . 1 1 357 357 THR N N 15 65.32 2.54 . . . . 1011 THR N 50457 1 289 . 1 1 359 359 LEU N N 15 233.01 2.58 . . . . 1013 LEU N 50457 1 stop_ save_