data_50456 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50456 _Entry.Title ; Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to olaparib ; _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 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to olaparib' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tom Ogden . E.H. . 0000-0002-5778-2002 50456 2 Ji-Chun Yang . . . 0000-0003-1933-5372 50456 3 David Neuhaus . . . 0000-0002-8561-7485 50456 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50456 heteronucl_NOEs 1 50456 heteronucl_T1_relaxation 1 50456 heteronucl_T1rho_relaxation 1 50456 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 326 50456 '1H chemical shifts' 326 50456 'T1 relaxation values' 320 50456 'T1rho relaxation values' 311 50456 'heteronuclear NOE values' 308 50456 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' 50456 1 . . 2020-09-15 2020-09-03 original author 'original release' 50456 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' 50456 BMRB 50455 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to veliparib' 50456 BMRB 50457 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to talazoparib' 50456 BMRB 50458 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to EB-47' 50456 BMRB 50459 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L765F mutant' 50456 BMRB 50460 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L765A mutant' 50456 BMRB 50461 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L713F mutant' 50456 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50456 _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. . . 50456 1 2 Ji-Chun Yang . . . . 50456 1 3 Marianne Schimpl . . . . 50456 1 4 Laura Easton . E. . . 50456 1 5 Elizabeth Underwood . . . . 50456 1 6 Philip Rawlins . B. . . 50456 1 7 Michael McCauley . M. . . 50456 1 8 Marie-France Langelier . . . . 50456 1 9 John Pascal . M. . . 50456 1 10 Kevin Embrey . J. . . 50456 1 11 David Neuhaus . . . . 50456 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50456 _Assembly.ID 1 _Assembly.Name PARP-1_CAT_domain_olaparib_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 olaparib 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 . 50456 1 2 olaparib 2 $entity_09L . . no native no no . ligand . 50456 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50456 _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 . 50456 1 2 656 THR . 50456 1 3 657 VAL . 50456 1 4 658 ASN . 50456 1 5 659 PRO . 50456 1 6 660 GLY . 50456 1 7 661 THR . 50456 1 8 662 LYS . 50456 1 9 663 SER . 50456 1 10 664 LYS . 50456 1 11 665 LEU . 50456 1 12 666 PRO . 50456 1 13 667 LYS . 50456 1 14 668 PRO . 50456 1 15 669 VAL . 50456 1 16 670 GLN . 50456 1 17 671 ASP . 50456 1 18 672 LEU . 50456 1 19 673 ILE . 50456 1 20 674 LYS . 50456 1 21 675 MET . 50456 1 22 676 ILE . 50456 1 23 677 PHE . 50456 1 24 678 ASP . 50456 1 25 679 VAL . 50456 1 26 680 GLU . 50456 1 27 681 SER . 50456 1 28 682 MET . 50456 1 29 683 LYS . 50456 1 30 684 LYS . 50456 1 31 685 ALA . 50456 1 32 686 MET . 50456 1 33 687 VAL . 50456 1 34 688 GLU . 50456 1 35 689 TYR . 50456 1 36 690 GLU . 50456 1 37 691 ILE . 50456 1 38 692 ASP . 50456 1 39 693 LEU . 50456 1 40 694 GLN . 50456 1 41 695 LYS . 50456 1 42 696 MET . 50456 1 43 697 PRO . 50456 1 44 698 LEU . 50456 1 45 699 GLY . 50456 1 46 700 LYS . 50456 1 47 701 LEU . 50456 1 48 702 SER . 50456 1 49 703 LYS . 50456 1 50 704 ARG . 50456 1 51 705 GLN . 50456 1 52 706 ILE . 50456 1 53 707 GLN . 50456 1 54 708 ALA . 50456 1 55 709 ALA . 50456 1 56 710 TYR . 50456 1 57 711 SER . 50456 1 58 712 ILE . 50456 1 59 713 LEU . 50456 1 60 714 SER . 50456 1 61 715 GLU . 50456 1 62 716 VAL . 50456 1 63 717 GLN . 50456 1 64 718 GLN . 50456 1 65 719 ALA . 50456 1 66 720 VAL . 50456 1 67 721 SER . 50456 1 68 722 GLN . 50456 1 69 723 GLY . 50456 1 70 724 SER . 50456 1 71 725 SER . 50456 1 72 726 ASP . 50456 1 73 727 SER . 50456 1 74 728 GLN . 50456 1 75 729 ILE . 50456 1 76 730 LEU . 50456 1 77 731 ASP . 50456 1 78 732 LEU . 50456 1 79 733 SER . 50456 1 80 734 ASN . 50456 1 81 735 ARG . 50456 1 82 736 PHE . 50456 1 83 737 TYR . 50456 1 84 738 THR . 50456 1 85 739 LEU . 50456 1 86 740 ILE . 50456 1 87 741 PRO . 50456 1 88 742 HIS . 50456 1 89 743 ASP . 50456 1 90 744 PHE . 50456 1 91 745 GLY . 50456 1 92 746 MET . 50456 1 93 747 LYS . 50456 1 94 748 LYS . 50456 1 95 749 PRO . 50456 1 96 750 PRO . 50456 1 97 751 LEU . 50456 1 98 752 LEU . 50456 1 99 753 ASN . 50456 1 100 754 ASN . 50456 1 101 755 ALA . 50456 1 102 756 ASP . 50456 1 103 757 SER . 50456 1 104 758 VAL . 50456 1 105 759 GLN . 50456 1 106 760 ALA . 50456 1 107 761 LYS . 50456 1 108 762 ALA . 50456 1 109 763 GLU . 50456 1 110 764 MET . 50456 1 111 765 LEU . 50456 1 112 766 ASP . 50456 1 113 767 ASN . 50456 1 114 768 LEU . 50456 1 115 769 LEU . 50456 1 116 770 ASP . 50456 1 117 771 ILE . 50456 1 118 772 GLU . 50456 1 119 773 VAL . 50456 1 120 774 ALA . 50456 1 121 775 TYR . 50456 1 122 776 SER . 50456 1 123 777 LEU . 50456 1 124 778 LEU . 50456 1 125 779 ARG . 50456 1 126 780 GLY . 50456 1 127 781 GLY . 50456 1 128 782 SER . 50456 1 129 783 ASP . 50456 1 130 784 ASP . 50456 1 131 785 SER . 50456 1 132 786 SER . 50456 1 133 787 LYS . 50456 1 134 788 ASP . 50456 1 135 789 PRO . 50456 1 136 790 ILE . 50456 1 137 791 ASP . 50456 1 138 792 VAL . 50456 1 139 793 ASN . 50456 1 140 794 TYR . 50456 1 141 795 GLU . 50456 1 142 796 LYS . 50456 1 143 797 LEU . 50456 1 144 798 LYS . 50456 1 145 799 THR . 50456 1 146 800 ASP . 50456 1 147 801 ILE . 50456 1 148 802 LYS . 50456 1 149 803 VAL . 50456 1 150 804 VAL . 50456 1 151 805 ASP . 50456 1 152 806 ARG . 50456 1 153 807 ASP . 50456 1 154 808 SER . 50456 1 155 809 GLU . 50456 1 156 810 GLU . 50456 1 157 811 ALA . 50456 1 158 812 GLU . 50456 1 159 813 ILE . 50456 1 160 814 ILE . 50456 1 161 815 ARG . 50456 1 162 816 LYS . 50456 1 163 817 TYR . 50456 1 164 818 VAL . 50456 1 165 819 LYS . 50456 1 166 820 ASN . 50456 1 167 821 THR . 50456 1 168 822 HIS . 50456 1 169 823 ALA . 50456 1 170 824 THR . 50456 1 171 825 THR . 50456 1 172 826 HIS . 50456 1 173 827 ASN . 50456 1 174 828 ALA . 50456 1 175 829 TYR . 50456 1 176 830 ASP . 50456 1 177 831 LEU . 50456 1 178 832 GLU . 50456 1 179 833 VAL . 50456 1 180 834 ILE . 50456 1 181 835 ASP . 50456 1 182 836 ILE . 50456 1 183 837 PHE . 50456 1 184 838 LYS . 50456 1 185 839 ILE . 50456 1 186 840 GLU . 50456 1 187 841 ARG . 50456 1 188 842 GLU . 50456 1 189 843 GLY . 50456 1 190 844 GLU . 50456 1 191 845 CYS . 50456 1 192 846 GLN . 50456 1 193 847 ARG . 50456 1 194 848 TYR . 50456 1 195 849 LYS . 50456 1 196 850 PRO . 50456 1 197 851 PHE . 50456 1 198 852 LYS . 50456 1 199 853 GLN . 50456 1 200 854 LEU . 50456 1 201 855 HIS . 50456 1 202 856 ASN . 50456 1 203 857 ARG . 50456 1 204 858 ARG . 50456 1 205 859 LEU . 50456 1 206 860 LEU . 50456 1 207 861 TRP . 50456 1 208 862 HIS . 50456 1 209 863 GLY . 50456 1 210 864 SER . 50456 1 211 865 ARG . 50456 1 212 866 THR . 50456 1 213 867 THR . 50456 1 214 868 ASN . 50456 1 215 869 PHE . 50456 1 216 870 ALA . 50456 1 217 871 GLY . 50456 1 218 872 ILE . 50456 1 219 873 LEU . 50456 1 220 874 SER . 50456 1 221 875 GLN . 50456 1 222 876 GLY . 50456 1 223 877 LEU . 50456 1 224 878 ARG . 50456 1 225 879 ILE . 50456 1 226 880 ALA . 50456 1 227 881 PRO . 50456 1 228 882 PRO . 50456 1 229 883 GLU . 50456 1 230 884 ALA . 50456 1 231 885 PRO . 50456 1 232 886 VAL . 50456 1 233 887 THR . 50456 1 234 888 GLY . 50456 1 235 889 TYR . 50456 1 236 890 MET . 50456 1 237 891 PHE . 50456 1 238 892 GLY . 50456 1 239 893 LYS . 50456 1 240 894 GLY . 50456 1 241 895 ILE . 50456 1 242 896 TYR . 50456 1 243 897 PHE . 50456 1 244 898 ALA . 50456 1 245 899 ASP . 50456 1 246 900 MET . 50456 1 247 901 VAL . 50456 1 248 902 SER . 50456 1 249 903 LYS . 50456 1 250 904 SER . 50456 1 251 905 ALA . 50456 1 252 906 ASN . 50456 1 253 907 TYR . 50456 1 254 908 CYS . 50456 1 255 909 HIS . 50456 1 256 910 THR . 50456 1 257 911 SER . 50456 1 258 912 GLN . 50456 1 259 913 GLY . 50456 1 260 914 ASP . 50456 1 261 915 PRO . 50456 1 262 916 ILE . 50456 1 263 917 GLY . 50456 1 264 918 LEU . 50456 1 265 919 ILE . 50456 1 266 920 LEU . 50456 1 267 921 LEU . 50456 1 268 922 GLY . 50456 1 269 923 GLU . 50456 1 270 924 VAL . 50456 1 271 925 ALA . 50456 1 272 926 LEU . 50456 1 273 927 GLY . 50456 1 274 928 ASN . 50456 1 275 929 MET . 50456 1 276 930 TYR . 50456 1 277 931 GLU . 50456 1 278 932 LEU . 50456 1 279 933 LYS . 50456 1 280 934 HIS . 50456 1 281 935 ALA . 50456 1 282 936 SER . 50456 1 283 937 HIS . 50456 1 284 938 ILE . 50456 1 285 939 SER . 50456 1 286 940 LYS . 50456 1 287 941 LEU . 50456 1 288 942 PRO . 50456 1 289 943 LYS . 50456 1 290 944 GLY . 50456 1 291 945 LYS . 50456 1 292 946 HIS . 50456 1 293 947 SER . 50456 1 294 948 VAL . 50456 1 295 949 LYS . 50456 1 296 950 GLY . 50456 1 297 951 LEU . 50456 1 298 952 GLY . 50456 1 299 953 LYS . 50456 1 300 954 THR . 50456 1 301 955 THR . 50456 1 302 956 PRO . 50456 1 303 957 ASP . 50456 1 304 958 PRO . 50456 1 305 959 SER . 50456 1 306 960 ALA . 50456 1 307 961 ASN . 50456 1 308 962 ILE . 50456 1 309 963 SER . 50456 1 310 964 LEU . 50456 1 311 965 ASP . 50456 1 312 966 GLY . 50456 1 313 967 VAL . 50456 1 314 968 ASP . 50456 1 315 969 VAL . 50456 1 316 970 PRO . 50456 1 317 971 LEU . 50456 1 318 972 GLY . 50456 1 319 973 THR . 50456 1 320 974 GLY . 50456 1 321 975 ILE . 50456 1 322 976 SER . 50456 1 323 977 SER . 50456 1 324 978 GLY . 50456 1 325 979 VAL . 50456 1 326 980 ASN . 50456 1 327 981 ASP . 50456 1 328 982 THR . 50456 1 329 983 SER . 50456 1 330 984 LEU . 50456 1 331 985 LEU . 50456 1 332 986 TYR . 50456 1 333 987 ASN . 50456 1 334 988 GLU . 50456 1 335 989 TYR . 50456 1 336 990 ILE . 50456 1 337 991 VAL . 50456 1 338 992 TYR . 50456 1 339 993 ASP . 50456 1 340 994 ILE . 50456 1 341 995 ALA . 50456 1 342 996 GLN . 50456 1 343 997 VAL . 50456 1 344 998 ASN . 50456 1 345 999 LEU . 50456 1 346 1000 LYS . 50456 1 347 1001 TYR . 50456 1 348 1002 LEU . 50456 1 349 1003 LEU . 50456 1 350 1004 LYS . 50456 1 351 1005 LEU . 50456 1 352 1006 LYS . 50456 1 353 1007 PHE . 50456 1 354 1008 ASN . 50456 1 355 1009 PHE . 50456 1 356 1010 LYS . 50456 1 357 1011 THR . 50456 1 358 1012 SER . 50456 1 359 1013 LEU . 50456 1 360 1014 TRP . 50456 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 50456 1 . THR 2 2 50456 1 . VAL 3 3 50456 1 . ASN 4 4 50456 1 . PRO 5 5 50456 1 . GLY 6 6 50456 1 . THR 7 7 50456 1 . LYS 8 8 50456 1 . SER 9 9 50456 1 . LYS 10 10 50456 1 . LEU 11 11 50456 1 . PRO 12 12 50456 1 . LYS 13 13 50456 1 . PRO 14 14 50456 1 . VAL 15 15 50456 1 . GLN 16 16 50456 1 . ASP 17 17 50456 1 . LEU 18 18 50456 1 . ILE 19 19 50456 1 . LYS 20 20 50456 1 . MET 21 21 50456 1 . ILE 22 22 50456 1 . PHE 23 23 50456 1 . ASP 24 24 50456 1 . VAL 25 25 50456 1 . GLU 26 26 50456 1 . SER 27 27 50456 1 . MET 28 28 50456 1 . LYS 29 29 50456 1 . LYS 30 30 50456 1 . ALA 31 31 50456 1 . MET 32 32 50456 1 . VAL 33 33 50456 1 . GLU 34 34 50456 1 . TYR 35 35 50456 1 . GLU 36 36 50456 1 . ILE 37 37 50456 1 . ASP 38 38 50456 1 . LEU 39 39 50456 1 . GLN 40 40 50456 1 . LYS 41 41 50456 1 . MET 42 42 50456 1 . PRO 43 43 50456 1 . LEU 44 44 50456 1 . GLY 45 45 50456 1 . LYS 46 46 50456 1 . LEU 47 47 50456 1 . SER 48 48 50456 1 . LYS 49 49 50456 1 . ARG 50 50 50456 1 . GLN 51 51 50456 1 . ILE 52 52 50456 1 . GLN 53 53 50456 1 . ALA 54 54 50456 1 . ALA 55 55 50456 1 . TYR 56 56 50456 1 . SER 57 57 50456 1 . ILE 58 58 50456 1 . LEU 59 59 50456 1 . SER 60 60 50456 1 . GLU 61 61 50456 1 . VAL 62 62 50456 1 . GLN 63 63 50456 1 . GLN 64 64 50456 1 . ALA 65 65 50456 1 . VAL 66 66 50456 1 . SER 67 67 50456 1 . GLN 68 68 50456 1 . GLY 69 69 50456 1 . SER 70 70 50456 1 . SER 71 71 50456 1 . ASP 72 72 50456 1 . SER 73 73 50456 1 . GLN 74 74 50456 1 . ILE 75 75 50456 1 . LEU 76 76 50456 1 . ASP 77 77 50456 1 . LEU 78 78 50456 1 . SER 79 79 50456 1 . ASN 80 80 50456 1 . ARG 81 81 50456 1 . PHE 82 82 50456 1 . TYR 83 83 50456 1 . THR 84 84 50456 1 . LEU 85 85 50456 1 . ILE 86 86 50456 1 . PRO 87 87 50456 1 . HIS 88 88 50456 1 . ASP 89 89 50456 1 . PHE 90 90 50456 1 . GLY 91 91 50456 1 . MET 92 92 50456 1 . LYS 93 93 50456 1 . LYS 94 94 50456 1 . PRO 95 95 50456 1 . PRO 96 96 50456 1 . LEU 97 97 50456 1 . LEU 98 98 50456 1 . ASN 99 99 50456 1 . ASN 100 100 50456 1 . ALA 101 101 50456 1 . ASP 102 102 50456 1 . SER 103 103 50456 1 . VAL 104 104 50456 1 . GLN 105 105 50456 1 . ALA 106 106 50456 1 . LYS 107 107 50456 1 . ALA 108 108 50456 1 . GLU 109 109 50456 1 . MET 110 110 50456 1 . LEU 111 111 50456 1 . ASP 112 112 50456 1 . ASN 113 113 50456 1 . LEU 114 114 50456 1 . LEU 115 115 50456 1 . ASP 116 116 50456 1 . ILE 117 117 50456 1 . GLU 118 118 50456 1 . VAL 119 119 50456 1 . ALA 120 120 50456 1 . TYR 121 121 50456 1 . SER 122 122 50456 1 . LEU 123 123 50456 1 . LEU 124 124 50456 1 . ARG 125 125 50456 1 . GLY 126 126 50456 1 . GLY 127 127 50456 1 . SER 128 128 50456 1 . ASP 129 129 50456 1 . ASP 130 130 50456 1 . SER 131 131 50456 1 . SER 132 132 50456 1 . LYS 133 133 50456 1 . ASP 134 134 50456 1 . PRO 135 135 50456 1 . ILE 136 136 50456 1 . ASP 137 137 50456 1 . VAL 138 138 50456 1 . ASN 139 139 50456 1 . TYR 140 140 50456 1 . GLU 141 141 50456 1 . LYS 142 142 50456 1 . LEU 143 143 50456 1 . LYS 144 144 50456 1 . THR 145 145 50456 1 . ASP 146 146 50456 1 . ILE 147 147 50456 1 . LYS 148 148 50456 1 . VAL 149 149 50456 1 . VAL 150 150 50456 1 . ASP 151 151 50456 1 . ARG 152 152 50456 1 . ASP 153 153 50456 1 . SER 154 154 50456 1 . GLU 155 155 50456 1 . GLU 156 156 50456 1 . ALA 157 157 50456 1 . GLU 158 158 50456 1 . ILE 159 159 50456 1 . ILE 160 160 50456 1 . ARG 161 161 50456 1 . LYS 162 162 50456 1 . TYR 163 163 50456 1 . VAL 164 164 50456 1 . LYS 165 165 50456 1 . ASN 166 166 50456 1 . THR 167 167 50456 1 . HIS 168 168 50456 1 . ALA 169 169 50456 1 . THR 170 170 50456 1 . THR 171 171 50456 1 . HIS 172 172 50456 1 . ASN 173 173 50456 1 . ALA 174 174 50456 1 . TYR 175 175 50456 1 . ASP 176 176 50456 1 . LEU 177 177 50456 1 . GLU 178 178 50456 1 . VAL 179 179 50456 1 . ILE 180 180 50456 1 . ASP 181 181 50456 1 . ILE 182 182 50456 1 . PHE 183 183 50456 1 . LYS 184 184 50456 1 . ILE 185 185 50456 1 . GLU 186 186 50456 1 . ARG 187 187 50456 1 . GLU 188 188 50456 1 . GLY 189 189 50456 1 . GLU 190 190 50456 1 . CYS 191 191 50456 1 . GLN 192 192 50456 1 . ARG 193 193 50456 1 . TYR 194 194 50456 1 . LYS 195 195 50456 1 . PRO 196 196 50456 1 . PHE 197 197 50456 1 . LYS 198 198 50456 1 . GLN 199 199 50456 1 . LEU 200 200 50456 1 . HIS 201 201 50456 1 . ASN 202 202 50456 1 . ARG 203 203 50456 1 . ARG 204 204 50456 1 . LEU 205 205 50456 1 . LEU 206 206 50456 1 . TRP 207 207 50456 1 . HIS 208 208 50456 1 . GLY 209 209 50456 1 . SER 210 210 50456 1 . ARG 211 211 50456 1 . THR 212 212 50456 1 . THR 213 213 50456 1 . ASN 214 214 50456 1 . PHE 215 215 50456 1 . ALA 216 216 50456 1 . GLY 217 217 50456 1 . ILE 218 218 50456 1 . LEU 219 219 50456 1 . SER 220 220 50456 1 . GLN 221 221 50456 1 . GLY 222 222 50456 1 . LEU 223 223 50456 1 . ARG 224 224 50456 1 . ILE 225 225 50456 1 . ALA 226 226 50456 1 . PRO 227 227 50456 1 . PRO 228 228 50456 1 . GLU 229 229 50456 1 . ALA 230 230 50456 1 . PRO 231 231 50456 1 . VAL 232 232 50456 1 . THR 233 233 50456 1 . GLY 234 234 50456 1 . TYR 235 235 50456 1 . MET 236 236 50456 1 . PHE 237 237 50456 1 . GLY 238 238 50456 1 . LYS 239 239 50456 1 . GLY 240 240 50456 1 . ILE 241 241 50456 1 . TYR 242 242 50456 1 . PHE 243 243 50456 1 . ALA 244 244 50456 1 . ASP 245 245 50456 1 . MET 246 246 50456 1 . VAL 247 247 50456 1 . SER 248 248 50456 1 . LYS 249 249 50456 1 . SER 250 250 50456 1 . ALA 251 251 50456 1 . ASN 252 252 50456 1 . TYR 253 253 50456 1 . CYS 254 254 50456 1 . HIS 255 255 50456 1 . THR 256 256 50456 1 . SER 257 257 50456 1 . GLN 258 258 50456 1 . GLY 259 259 50456 1 . ASP 260 260 50456 1 . PRO 261 261 50456 1 . ILE 262 262 50456 1 . GLY 263 263 50456 1 . LEU 264 264 50456 1 . ILE 265 265 50456 1 . LEU 266 266 50456 1 . LEU 267 267 50456 1 . GLY 268 268 50456 1 . GLU 269 269 50456 1 . VAL 270 270 50456 1 . ALA 271 271 50456 1 . LEU 272 272 50456 1 . GLY 273 273 50456 1 . ASN 274 274 50456 1 . MET 275 275 50456 1 . TYR 276 276 50456 1 . GLU 277 277 50456 1 . LEU 278 278 50456 1 . LYS 279 279 50456 1 . HIS 280 280 50456 1 . ALA 281 281 50456 1 . SER 282 282 50456 1 . HIS 283 283 50456 1 . ILE 284 284 50456 1 . SER 285 285 50456 1 . LYS 286 286 50456 1 . LEU 287 287 50456 1 . PRO 288 288 50456 1 . LYS 289 289 50456 1 . GLY 290 290 50456 1 . LYS 291 291 50456 1 . HIS 292 292 50456 1 . SER 293 293 50456 1 . VAL 294 294 50456 1 . LYS 295 295 50456 1 . GLY 296 296 50456 1 . LEU 297 297 50456 1 . GLY 298 298 50456 1 . LYS 299 299 50456 1 . THR 300 300 50456 1 . THR 301 301 50456 1 . PRO 302 302 50456 1 . ASP 303 303 50456 1 . PRO 304 304 50456 1 . SER 305 305 50456 1 . ALA 306 306 50456 1 . ASN 307 307 50456 1 . ILE 308 308 50456 1 . SER 309 309 50456 1 . LEU 310 310 50456 1 . ASP 311 311 50456 1 . GLY 312 312 50456 1 . VAL 313 313 50456 1 . ASP 314 314 50456 1 . VAL 315 315 50456 1 . PRO 316 316 50456 1 . LEU 317 317 50456 1 . GLY 318 318 50456 1 . THR 319 319 50456 1 . GLY 320 320 50456 1 . ILE 321 321 50456 1 . SER 322 322 50456 1 . SER 323 323 50456 1 . GLY 324 324 50456 1 . VAL 325 325 50456 1 . ASN 326 326 50456 1 . ASP 327 327 50456 1 . THR 328 328 50456 1 . SER 329 329 50456 1 . LEU 330 330 50456 1 . LEU 331 331 50456 1 . TYR 332 332 50456 1 . ASN 333 333 50456 1 . GLU 334 334 50456 1 . TYR 335 335 50456 1 . ILE 336 336 50456 1 . VAL 337 337 50456 1 . TYR 338 338 50456 1 . ASP 339 339 50456 1 . ILE 340 340 50456 1 . ALA 341 341 50456 1 . GLN 342 342 50456 1 . VAL 343 343 50456 1 . ASN 344 344 50456 1 . LEU 345 345 50456 1 . LYS 346 346 50456 1 . TYR 347 347 50456 1 . LEU 348 348 50456 1 . LEU 349 349 50456 1 . LYS 350 350 50456 1 . LEU 351 351 50456 1 . LYS 352 352 50456 1 . PHE 353 353 50456 1 . ASN 354 354 50456 1 . PHE 355 355 50456 1 . LYS 356 356 50456 1 . THR 357 357 50456 1 . SER 358 358 50456 1 . LEU 359 359 50456 1 . TRP 360 360 50456 1 stop_ save_ save_entity_09L _Entity.Sf_category entity _Entity.Sf_framecode entity_09L _Entity.Entry_ID 50456 _Entity.ID 2 _Entity.BMRB_code 09L _Entity.Name entity_09L _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 09L _Entity.Nonpolymer_comp_label $chem_comp_09L _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 434.463 _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 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one BMRB 50456 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one BMRB 50456 2 09L 'Three letter code' 50456 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 09L $chem_comp_09L 50456 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 50456 _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 . . . . . . . . . . . . . 50456 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 50456 _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 . . . 50456 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_09L _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_09L _Chem_comp.Entry_ID 50456 _Chem_comp.ID 09L _Chem_comp.Provenance PDB _Chem_comp.Name 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 09L _Chem_comp.PDB_code 09L _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 09L _Chem_comp.Number_atoms_all 55 _Chem_comp.Number_atoms_nh 32 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) ; _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 Olaparib _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C24 H23 F N4 O3' _Chem_comp.Formula_weight 434.463 _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 3U9Y _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one C24 H23 F N4 O3 ; _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 FDLYAMZZIXQODN-UHFFFAOYSA-N InChIKey InChI 1.03 50456 09L Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5 SMILES CACTVS 3.370 50456 09L Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5 SMILES_CANONICAL CACTVS 3.370 50456 09L ; InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) ; InChI InChI 1.03 50456 09L O=C(N4CCN(C(=O)c1c(F)ccc(c1)CC3=NNC(=O)c2c3cccc2)CC4)C5CC5 SMILES ACDLabs 12.01 50456 09L c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F SMILES 'OpenEye OEToolkits' 1.7.2 50456 09L c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 50456 09L 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 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one 'SYSTEMATIC NAME' ACDLabs 12.01 50456 09L 4-[[3-(4-cyclopropylcarbonylpiperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 50456 09L 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 CAJ CAJ CAJ CAJ . C . . N 0 . . . 1 no no . . . . 5.975 . -4.357 . 24.294 . 7.828 2.714 -0.295 1 . 50456 09L CAK CAK CAK CAK . C . . N 0 . . . 1 no no . . . . 6.879 . -3.160 . 24.601 . 6.913 2.660 -1.520 2 . 50456 09L CAI CAI CAI CAI . C . . N 0 . . . 1 no no . . . . 6.678 . -3.621 . 23.159 . 6.859 1.543 -0.476 3 . 50456 09L CAL CAL CAL CAL . C . . N 0 . . . 1 no no . . . . 5.754 . -2.737 . 22.376 . 5.653 1.492 0.426 4 . 50456 09L OAB OAB OAB OAB . O . . N 0 . . . 1 no no . . . . 4.572 . -3.052 . 22.317 . 5.480 2.359 1.256 5 . 50456 09L NAE NAE NAE NAE . N . . N 0 . . . 1 no no . . . . 6.232 . -1.631 . 21.803 . 4.767 0.483 0.310 6 . 50456 09L CAM CAM CAM CAM . C . . N 0 . . . 1 no no . . . . 5.337 . -0.731 . 21.042 . 4.968 -0.577 -0.688 7 . 50456 09L CAO CAO CAO CAO . C . . N 0 . . . 1 no no . . . . 6.082 . 0.053 . 19.959 . 3.713 -0.668 -1.566 8 . 50456 09L CAN CAN CAN CAN . C . . N 0 . . . 1 no no . . . . 7.686 . -1.349 . 21.882 . 3.586 0.420 1.183 9 . 50456 09L CAP CAP CAP CAP . C . . N 0 . . . 1 no no . . . . 8.088 . 0.102 . 21.561 . 2.332 0.336 0.305 10 . 50456 09L NAF NAF NAF NAF . N . . N 0 . . . 1 no no . . . . 7.285 . 0.736 . 20.486 . 2.533 -0.730 -0.693 11 . 50456 09L CAQ CAQ CAQ CAQ . C . . N 0 . . . 1 no no . . . . 7.657 . 1.907 . 19.928 . 1.649 -1.742 -0.806 12 . 50456 09L OAC OAC OAC OAC . O . . N 0 . . . 1 no no . . . . 7.015 . 2.359 . 18.990 . 1.784 -2.572 -1.684 13 . 50456 09L CAR CAR CAR CAR . C . . N 0 . . . 1 yes no . . . . 8.944 . 2.640 . 20.289 . 0.517 -1.843 0.138 14 . 50456 09L CAS CAS CAS CAS . C . . N 0 . . . 1 yes no . . . . 9.650 . 3.137 . 19.187 . -0.352 -0.763 0.308 15 . 50456 09L CAU CAU CAU CAU . C . . N 0 . . . 1 yes no . . . . 9.435 . 2.805 . 21.608 . 0.307 -3.021 0.860 16 . 50456 09L FAA FAA FAA FAA . F . . N 0 . . . 1 no no . . . . 8.762 . 2.336 . 22.701 . 1.140 -4.073 0.698 17 . 50456 09L CAX CAX CAX CAX . C . . N 0 . . . 1 yes no . . . . 10.640 . 3.480 . 21.787 . -0.756 -3.107 1.741 18 . 50456 09L CAW CAW CAW CAW . C . . N 0 . . . 1 yes no . . . . 11.338 . 3.986 . 20.681 . -1.607 -2.031 1.907 19 . 50456 09L CAT CAT CAT CAT . C . . N 0 . . . 1 yes no . . . . 10.849 . 3.802 . 19.386 . -1.407 -0.863 1.190 20 . 50456 09L CAV CAV CAV CAV . C . . N 0 . . . 1 no no . . . . 11.617 . 4.381 . 18.221 . -2.345 0.301 1.374 21 . 50456 09L CAY CAY CAY CAY . C . . N 0 . . . 1 no no . . . . 11.814 . 3.461 . 17.030 . -3.483 0.190 0.392 22 . 50456 09L CAZ CAZ CAZ CAZ . C . . N 0 . . . 1 yes no . . . . 11.943 . 3.958 . 15.732 . -4.530 1.212 0.368 23 . 50456 09L CBB CBB CBB CBB . C . . N 0 . . . 1 yes no . . . . 11.859 . 5.331 . 15.501 . -4.517 2.302 1.240 24 . 50456 09L CBE CBE CBE CBE . C . . N 0 . . . 1 yes no . . . . 11.960 . 5.835 . 14.203 . -5.518 3.230 1.178 25 . 50456 09L CBF CBF CBF CBF . C . . N 0 . . . 1 yes no . . . . 12.142 . 4.938 . 13.156 . -6.552 3.105 0.258 26 . 50456 09L CBD CBD CBD CBD . C . . N 0 . . . 1 yes no . . . . 12.235 . 3.566 . 13.386 . -6.591 2.040 -0.615 27 . 50456 09L CBA CBA CBA CBA . C . . N 0 . . . 1 yes no . . . . 12.140 . 3.075 . 14.676 . -5.580 1.080 -0.570 28 . 50456 09L CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 12.213 . 1.714 . 14.970 . -5.565 -0.077 -1.473 29 . 50456 09L OAD OAD OAD OAD . O . . N 0 . . . 1 no no . . . . 12.390 . 0.853 . 14.104 . -6.448 -0.233 -2.298 30 . 50456 09L NAH NAH NAH NAH . N . . N 0 . . . 1 no no . . . . 12.071 . 1.332 . 16.317 . -4.554 -0.966 -1.372 31 . 50456 09L NAG NAG NAG NAG . N . . N 0 . . . 1 no no . . . . 11.896 . 2.142 . 17.239 . -3.530 -0.810 -0.437 32 . 50456 09L H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 4.906 . -4.522 . 24.492 . 8.889 2.517 -0.449 33 . 50456 09L H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 6.035 . -5.407 . 24.618 . 7.593 3.447 0.477 34 . 50456 09L H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 7.789 . -3.081 . 25.213 . 6.077 3.358 -1.555 35 . 50456 09L H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 6.662 . -2.198 . 25.088 . 7.373 2.429 -2.481 36 . 50456 09L H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 7.346 . -3.910 . 22.335 . 7.283 0.577 -0.750 37 . 50456 09L H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 4.884 . -0.014 . 21.743 . 5.832 -0.338 -1.308 38 . 50456 09L H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 4.558 . -1.340 . 20.559 . 5.133 -1.529 -0.182 39 . 50456 09L H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 5.401 . 0.812 . 19.547 . 3.650 0.213 -2.205 40 . 50456 09L H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 6.395 . -0.649 . 19.172 . 3.761 -1.566 -2.181 41 . 50456 09L H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 8.192 . -2.003 . 21.157 . 3.648 -0.463 1.818 42 . 50456 09L H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 8.012 . -1.566 . 22.910 . 3.542 1.315 1.803 43 . 50456 09L H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 9.140 . 0.098 . 21.239 . 1.467 0.097 0.924 44 . 50456 09L H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 7.958 . 0.699 . 22.476 . 2.170 1.291 -0.195 45 . 50456 09L H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 9.262 . 3.003 . 18.188 . -0.198 0.149 -0.249 46 . 50456 09L H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . 11.039 . 3.614 . 22.782 . -0.921 -4.016 2.300 47 . 50456 09L H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . 12.263 . 4.523 . 20.832 . -2.436 -2.103 2.596 48 . 50456 09L H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . 12.616 . 4.657 . 18.591 . -2.740 0.292 2.390 49 . 50456 09L H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . 11.061 . 5.261 . 17.867 . -1.806 1.233 1.202 50 . 50456 09L H19 H19 H19 H19 . H . . N 0 . . . 1 no no . . . . 11.715 . 6.008 . 16.330 . -3.720 2.411 1.960 51 . 50456 09L H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . 11.898 . 6.897 . 14.016 . -5.506 4.072 1.854 52 . 50456 09L H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 12.213 . 5.311 . 12.145 . -7.333 3.850 0.227 53 . 50456 09L H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 12.381 . 2.888 . 12.558 . -7.397 1.949 -1.328 54 . 50456 09L H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . 12.113 . 0.358 . 16.542 . -4.539 -1.733 -1.965 55 . 50456 09L 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 CBF CBD yes N 1 . 50456 09L 2 . SING CBF CBE yes N 2 . 50456 09L 3 . SING CBD CBA yes N 3 . 50456 09L 4 . DOUB OAD CBC no N 4 . 50456 09L 5 . DOUB CBE CBB yes N 5 . 50456 09L 6 . SING CBA CBC no N 6 . 50456 09L 7 . DOUB CBA CAZ yes N 7 . 50456 09L 8 . SING CBC NAH no N 8 . 50456 09L 9 . SING CBB CAZ yes N 9 . 50456 09L 10 . SING CAZ CAY no N 10 . 50456 09L 11 . SING NAH NAG no N 11 . 50456 09L 12 . DOUB CAY NAG no N 12 . 50456 09L 13 . SING CAY CAV no N 13 . 50456 09L 14 . SING CAV CAT no N 14 . 50456 09L 15 . DOUB OAC CAQ no N 15 . 50456 09L 16 . DOUB CAS CAT yes N 16 . 50456 09L 17 . SING CAS CAR yes N 17 . 50456 09L 18 . SING CAT CAW yes N 18 . 50456 09L 19 . SING CAQ CAR no N 19 . 50456 09L 20 . SING CAQ NAF no N 20 . 50456 09L 21 . SING CAO NAF no N 21 . 50456 09L 22 . SING CAO CAM no N 22 . 50456 09L 23 . DOUB CAR CAU yes N 23 . 50456 09L 24 . SING NAF CAP no N 24 . 50456 09L 25 . DOUB CAW CAX yes N 25 . 50456 09L 26 . SING CAM NAE no N 26 . 50456 09L 27 . SING CAP CAN no N 27 . 50456 09L 28 . SING CAU CAX yes N 28 . 50456 09L 29 . SING CAU FAA no N 29 . 50456 09L 30 . SING NAE CAN no N 30 . 50456 09L 31 . SING NAE CAL no N 31 . 50456 09L 32 . DOUB OAB CAL no N 32 . 50456 09L 33 . SING CAL CAI no N 33 . 50456 09L 34 . SING CAI CAJ no N 34 . 50456 09L 35 . SING CAI CAK no N 35 . 50456 09L 36 . SING CAJ CAK no N 36 . 50456 09L 37 . SING CAJ H1 no N 37 . 50456 09L 38 . SING CAJ H2 no N 38 . 50456 09L 39 . SING CAK H3 no N 39 . 50456 09L 40 . SING CAK H4 no N 40 . 50456 09L 41 . SING CAI H5 no N 41 . 50456 09L 42 . SING CAM H6 no N 42 . 50456 09L 43 . SING CAM H7 no N 43 . 50456 09L 44 . SING CAO H8 no N 44 . 50456 09L 45 . SING CAO H9 no N 45 . 50456 09L 46 . SING CAN H10 no N 46 . 50456 09L 47 . SING CAN H11 no N 47 . 50456 09L 48 . SING CAP H12 no N 48 . 50456 09L 49 . SING CAP H13 no N 49 . 50456 09L 50 . SING CAS H14 no N 50 . 50456 09L 51 . SING CAX H15 no N 51 . 50456 09L 52 . SING CAW H16 no N 52 . 50456 09L 53 . SING CAV H17 no N 53 . 50456 09L 54 . SING CAV H18 no N 54 . 50456 09L 55 . SING CBB H19 no N 55 . 50456 09L 56 . SING CBE H20 no N 56 . 50456 09L 57 . SING CBF H21 no N 57 . 50456 09L 58 . SING CBD H22 no N 58 . 50456 09L 59 . SING NAH H23 no N 59 . 50456 09L stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50456 _Sample.ID 1 _Sample.Name 15N_labelled_CAT_domain_olaparib_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 . . . . 50456 1 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50456 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50456 1 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50456 1 5 olaparib 'natural abundance' . . 2 $entity_09L . . 0.2 . . mM . . . . 50456 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 50456 _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 50456 1 pH 7.0 . pH 50456 1 pressure 1 . atm 50456 1 temperature 298 . K 50456 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50456 _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 . 50456 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50456 _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 . 50456 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50456 _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 . 50456 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50456 _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' . 50456 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50456 _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' . 50456 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 50456 _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 50456 _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 . . . . . . . . . . . . . . . . . 50456 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50456 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 . . . . . . . . . . . . . . . . . 50456 1 4 '2D 1H-15N TROSY-based 15N T1 measurement' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50456 1 5 '2D 1H-15N TROSY-based 15N T1rho measurement' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50456 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 50456 _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 . . 50456 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 . . 50456 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 . . 50456 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 50456 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Ola_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' . . . 50456 1 2 '3D 15N-separated NOESY' . . . 50456 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 . . 50456 1 5 $software_5 . . 50456 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 8.321 0.02 . 1 . . . . . 657 V HN . 50456 1 2 . 1 . 1 3 3 VAL N N 15 123.246 0.1 . 1 . . . . . 657 V N . 50456 1 3 . 1 . 1 4 4 ASN H H 1 8.680 0.02 . 1 . . . . . 658 N HN . 50456 1 4 . 1 . 1 4 4 ASN N N 15 124.756 0.1 . 1 . . . . . 658 N N . 50456 1 5 . 1 . 1 6 6 GLY H H 1 8.991 0.02 . 1 . . . . . 660 G HN . 50456 1 6 . 1 . 1 6 6 GLY N N 15 110.760 0.1 . 1 . . . . . 660 G N . 50456 1 7 . 1 . 1 7 7 THR H H 1 7.984 0.02 . 1 . . . . . 661 T HN . 50456 1 8 . 1 . 1 7 7 THR N N 15 113.442 0.1 . 1 . . . . . 661 T N . 50456 1 9 . 1 . 1 8 8 LYS H H 1 8.472 0.02 . 1 . . . . . 662 K HN . 50456 1 10 . 1 . 1 8 8 LYS N N 15 122.520 0.1 . 1 . . . . . 662 K N . 50456 1 11 . 1 . 1 9 9 SER H H 1 8.666 0.02 . 1 . . . . . 663 S HN . 50456 1 12 . 1 . 1 9 9 SER N N 15 117.284 0.1 . 1 . . . . . 663 S N . 50456 1 13 . 1 . 1 10 10 LYS H H 1 9.564 0.02 . 1 . . . . . 664 K HN . 50456 1 14 . 1 . 1 10 10 LYS N N 15 128.079 0.1 . 1 . . . . . 664 K N . 50456 1 15 . 1 . 1 11 11 LEU H H 1 8.479 0.02 . 1 . . . . . 665 L HN . 50456 1 16 . 1 . 1 11 11 LEU N N 15 123.232 0.1 . 1 . . . . . 665 L N . 50456 1 17 . 1 . 1 13 13 LYS H H 1 9.448 0.02 . 1 . . . . . 667 K HN . 50456 1 18 . 1 . 1 13 13 LYS N N 15 127.157 0.1 . 1 . . . . . 667 K N . 50456 1 19 . 1 . 1 15 15 VAL H H 1 7.153 0.02 . 1 . . . . . 669 V HN . 50456 1 20 . 1 . 1 15 15 VAL N N 15 114.986 0.1 . 1 . . . . . 669 V N . 50456 1 21 . 1 . 1 16 16 GLN H H 1 8.041 0.02 . 1 . . . . . 670 Q HN . 50456 1 22 . 1 . 1 16 16 GLN N N 15 119.744 0.1 . 1 . . . . . 670 Q N . 50456 1 23 . 1 . 1 17 17 ASP H H 1 8.482 0.02 . 1 . . . . . 671 D HN . 50456 1 24 . 1 . 1 17 17 ASP N N 15 116.970 0.1 . 1 . . . . . 671 D N . 50456 1 25 . 1 . 1 18 18 LEU H H 1 7.475 0.02 . 1 . . . . . 672 L HN . 50456 1 26 . 1 . 1 18 18 LEU N N 15 122.969 0.1 . 1 . . . . . 672 L N . 50456 1 27 . 1 . 1 19 19 ILE H H 1 8.200 0.02 . 1 . . . . . 673 I HN . 50456 1 28 . 1 . 1 19 19 ILE N N 15 119.132 0.1 . 1 . . . . . 673 I N . 50456 1 29 . 1 . 1 20 20 LYS H H 1 8.208 0.02 . 1 . . . . . 674 K HN . 50456 1 30 . 1 . 1 20 20 LYS N N 15 118.159 0.1 . 1 . . . . . 674 K N . 50456 1 31 . 1 . 1 21 21 MET H H 1 7.585 0.02 . 1 . . . . . 675 M HN . 50456 1 32 . 1 . 1 21 21 MET N N 15 116.258 0.1 . 1 . . . . . 675 M N . 50456 1 33 . 1 . 1 22 22 ILE H H 1 8.081 0.02 . 1 . . . . . 676 I HN . 50456 1 34 . 1 . 1 22 22 ILE N N 15 113.816 0.1 . 1 . . . . . 676 I N . 50456 1 35 . 1 . 1 23 23 PHE H H 1 7.472 0.02 . 1 . . . . . 677 F HN . 50456 1 36 . 1 . 1 23 23 PHE N N 15 118.080 0.1 . 1 . . . . . 677 F N . 50456 1 37 . 1 . 1 24 24 ASP H H 1 6.849 0.02 . 1 . . . . . 678 D HN . 50456 1 38 . 1 . 1 24 24 ASP N N 15 118.759 0.1 . 1 . . . . . 678 D N . 50456 1 39 . 1 . 1 25 25 VAL H H 1 8.714 0.02 . 1 . . . . . 679 V HN . 50456 1 40 . 1 . 1 25 25 VAL N N 15 129.453 0.1 . 1 . . . . . 679 V N . 50456 1 41 . 1 . 1 26 26 GLU H H 1 8.428 0.02 . 1 . . . . . 680 E HN . 50456 1 42 . 1 . 1 26 26 GLU N N 15 121.184 0.1 . 1 . . . . . 680 E N . 50456 1 43 . 1 . 1 27 27 SER H H 1 8.013 0.02 . 1 . . . . . 681 S HN . 50456 1 44 . 1 . 1 27 27 SER N N 15 116.857 0.1 . 1 . . . . . 681 S N . 50456 1 45 . 1 . 1 28 28 MET H H 1 7.512 0.02 . 1 . . . . . 682 M HN . 50456 1 46 . 1 . 1 28 28 MET N N 15 122.581 0.1 . 1 . . . . . 682 M N . 50456 1 47 . 1 . 1 29 29 LYS H H 1 7.962 0.02 . 1 . . . . . 683 K HN . 50456 1 48 . 1 . 1 29 29 LYS N N 15 117.970 0.1 . 1 . . . . . 683 K N . 50456 1 49 . 1 . 1 30 30 LYS H H 1 8.177 0.02 . 1 . . . . . 684 K HN . 50456 1 50 . 1 . 1 30 30 LYS N N 15 118.455 0.1 . 1 . . . . . 684 K N . 50456 1 51 . 1 . 1 31 31 ALA H H 1 7.672 0.02 . 1 . . . . . 685 A HN . 50456 1 52 . 1 . 1 31 31 ALA N N 15 121.212 0.1 . 1 . . . . . 685 A N . 50456 1 53 . 1 . 1 32 32 MET H H 1 7.461 0.02 . 1 . . . . . 686 M HN . 50456 1 54 . 1 . 1 32 32 MET N N 15 114.683 0.1 . 1 . . . . . 686 M N . 50456 1 55 . 1 . 1 33 33 VAL H H 1 8.348 0.02 . 1 . . . . . 687 V HN . 50456 1 56 . 1 . 1 33 33 VAL N N 15 120.060 0.1 . 1 . . . . . 687 V N . 50456 1 57 . 1 . 1 34 34 GLU H H 1 8.149 0.02 . 1 . . . . . 688 E HN . 50456 1 58 . 1 . 1 34 34 GLU N N 15 123.959 0.1 . 1 . . . . . 688 E N . 50456 1 59 . 1 . 1 35 35 TYR H H 1 7.428 0.02 . 1 . . . . . 689 Y HN . 50456 1 60 . 1 . 1 35 35 TYR N N 15 117.703 0.1 . 1 . . . . . 689 Y N . 50456 1 61 . 1 . 1 36 36 GLU H H 1 7.986 0.02 . 1 . . . . . 690 E HN . 50456 1 62 . 1 . 1 36 36 GLU N N 15 110.420 0.1 . 1 . . . . . 690 E N . 50456 1 63 . 1 . 1 37 37 ILE H H 1 7.483 0.02 . 1 . . . . . 691 I HN . 50456 1 64 . 1 . 1 37 37 ILE N N 15 118.773 0.1 . 1 . . . . . 691 I N . 50456 1 65 . 1 . 1 38 38 ASP H H 1 8.028 0.02 . 1 . . . . . 692 D HN . 50456 1 66 . 1 . 1 38 38 ASP N N 15 124.446 0.1 . 1 . . . . . 692 D N . 50456 1 67 . 1 . 1 39 39 LEU H H 1 8.201 0.02 . 1 . . . . . 693 L HN . 50456 1 68 . 1 . 1 39 39 LEU N N 15 127.565 0.1 . 1 . . . . . 693 L N . 50456 1 69 . 1 . 1 40 40 GLN H H 1 8.204 0.02 . 1 . . . . . 694 Q HN . 50456 1 70 . 1 . 1 40 40 GLN N N 15 116.429 0.1 . 1 . . . . . 694 Q N . 50456 1 71 . 1 . 1 41 41 LYS H H 1 7.088 0.02 . 1 . . . . . 695 K HN . 50456 1 72 . 1 . 1 41 41 LYS N N 15 117.705 0.1 . 1 . . . . . 695 K N . 50456 1 73 . 1 . 1 42 42 MET H H 1 8.442 0.02 . 1 . . . . . 696 M HN . 50456 1 74 . 1 . 1 42 42 MET N N 15 121.421 0.1 . 1 . . . . . 696 M N . 50456 1 75 . 1 . 1 44 44 LEU H H 1 8.332 0.02 . 1 . . . . . 698 L HN . 50456 1 76 . 1 . 1 44 44 LEU N N 15 120.947 0.1 . 1 . . . . . 698 L N . 50456 1 77 . 1 . 1 46 46 LYS H H 1 7.921 0.02 . 1 . . . . . 700 K HN . 50456 1 78 . 1 . 1 46 46 LYS N N 15 118.888 0.1 . 1 . . . . . 700 K N . 50456 1 79 . 1 . 1 47 47 LEU H H 1 7.174 0.02 . 1 . . . . . 701 L HN . 50456 1 80 . 1 . 1 47 47 LEU N N 15 122.241 0.1 . 1 . . . . . 701 L N . 50456 1 81 . 1 . 1 48 48 SER H H 1 8.157 0.02 . 1 . . . . . 702 S HN . 50456 1 82 . 1 . 1 48 48 SER N N 15 118.674 0.1 . 1 . . . . . 702 S N . 50456 1 83 . 1 . 1 49 49 LYS H H 1 9.018 0.02 . 1 . . . . . 703 K HN . 50456 1 84 . 1 . 1 49 49 LYS N N 15 124.506 0.1 . 1 . . . . . 703 K N . 50456 1 85 . 1 . 1 50 50 ARG H H 1 8.385 0.02 . 1 . . . . . 704 R HN . 50456 1 86 . 1 . 1 50 50 ARG N N 15 117.974 0.1 . 1 . . . . . 704 R N . 50456 1 87 . 1 . 1 51 51 GLN H H 1 7.614 0.02 . 1 . . . . . 705 Q HN . 50456 1 88 . 1 . 1 51 51 GLN N N 15 121.170 0.1 . 1 . . . . . 705 Q N . 50456 1 89 . 1 . 1 52 52 ILE H H 1 7.713 0.02 . 1 . . . . . 706 I HN . 50456 1 90 . 1 . 1 52 52 ILE N N 15 119.699 0.1 . 1 . . . . . 706 I N . 50456 1 91 . 1 . 1 53 53 GLN H H 1 8.596 0.02 . 1 . . . . . 707 Q HN . 50456 1 92 . 1 . 1 53 53 GLN N N 15 118.276 0.1 . 1 . . . . . 707 Q N . 50456 1 93 . 1 . 1 54 54 ALA H H 1 8.005 0.02 . 1 . . . . . 708 A HN . 50456 1 94 . 1 . 1 54 54 ALA N N 15 120.999 0.1 . 1 . . . . . 708 A N . 50456 1 95 . 1 . 1 55 55 ALA H H 1 8.250 0.02 . 1 . . . . . 709 A HN . 50456 1 96 . 1 . 1 55 55 ALA N N 15 124.081 0.1 . 1 . . . . . 709 A N . 50456 1 97 . 1 . 1 56 56 TYR H H 1 8.762 0.02 . 1 . . . . . 710 Y HN . 50456 1 98 . 1 . 1 56 56 TYR N N 15 120.817 0.1 . 1 . . . . . 710 Y N . 50456 1 99 . 1 . 1 57 57 SER H H 1 7.962 0.02 . 1 . . . . . 711 S HN . 50456 1 100 . 1 . 1 57 57 SER N N 15 113.089 0.1 . 1 . . . . . 711 S N . 50456 1 101 . 1 . 1 58 58 ILE H H 1 7.932 0.02 . 1 . . . . . 712 I HN . 50456 1 102 . 1 . 1 58 58 ILE N N 15 122.386 0.1 . 1 . . . . . 712 I N . 50456 1 103 . 1 . 1 59 59 LEU H H 1 8.180 0.02 . 1 . . . . . 713 L HN . 50456 1 104 . 1 . 1 59 59 LEU N N 15 119.386 0.1 . 1 . . . . . 713 L N . 50456 1 105 . 1 . 1 60 60 SER H H 1 8.493 0.02 . 1 . . . . . 714 S HN . 50456 1 106 . 1 . 1 60 60 SER N N 15 116.653 0.1 . 1 . . . . . 714 S N . 50456 1 107 . 1 . 1 61 61 GLU H H 1 8.085 0.02 . 1 . . . . . 715 E HN . 50456 1 108 . 1 . 1 61 61 GLU N N 15 124.663 0.1 . 1 . . . . . 715 E N . 50456 1 109 . 1 . 1 62 62 VAL H H 1 8.966 0.02 . 1 . . . . . 716 V HN . 50456 1 110 . 1 . 1 62 62 VAL N N 15 123.283 0.1 . 1 . . . . . 716 V N . 50456 1 111 . 1 . 1 63 63 GLN H H 1 8.379 0.02 . 1 . . . . . 717 Q HN . 50456 1 112 . 1 . 1 63 63 GLN N N 15 119.187 0.1 . 1 . . . . . 717 Q N . 50456 1 113 . 1 . 1 64 64 GLN H H 1 7.732 0.02 . 1 . . . . . 718 Q HN . 50456 1 114 . 1 . 1 64 64 GLN N N 15 119.348 0.1 . 1 . . . . . 718 Q N . 50456 1 115 . 1 . 1 65 65 ALA H H 1 8.130 0.02 . 1 . . . . . 719 A HN . 50456 1 116 . 1 . 1 65 65 ALA N N 15 123.496 0.1 . 1 . . . . . 719 A N . 50456 1 117 . 1 . 1 66 66 VAL H H 1 8.835 0.02 . 1 . . . . . 720 V HN . 50456 1 118 . 1 . 1 66 66 VAL N N 15 118.396 0.1 . 1 . . . . . 720 V N . 50456 1 119 . 1 . 1 67 67 SER H H 1 8.065 0.02 . 1 . . . . . 721 S HN . 50456 1 120 . 1 . 1 67 67 SER N N 15 115.992 0.1 . 1 . . . . . 721 S N . 50456 1 121 . 1 . 1 68 68 GLN H H 1 7.964 0.02 . 1 . . . . . 722 Q HN . 50456 1 122 . 1 . 1 68 68 GLN N N 15 117.787 0.1 . 1 . . . . . 722 Q N . 50456 1 123 . 1 . 1 69 69 GLY H H 1 7.755 0.02 . 1 . . . . . 723 G HN . 50456 1 124 . 1 . 1 69 69 GLY N N 15 108.991 0.1 . 1 . . . . . 723 G N . 50456 1 125 . 1 . 1 70 70 SER H H 1 8.281 0.02 . 1 . . . . . 724 S HN . 50456 1 126 . 1 . 1 70 70 SER N N 15 115.665 0.1 . 1 . . . . . 724 S N . 50456 1 127 . 1 . 1 71 71 SER H H 1 8.618 0.02 . 1 . . . . . 725 S HN . 50456 1 128 . 1 . 1 71 71 SER N N 15 117.035 0.1 . 1 . . . . . 725 S N . 50456 1 129 . 1 . 1 72 72 ASP H H 1 8.850 0.02 . 1 . . . . . 726 D HN . 50456 1 130 . 1 . 1 72 72 ASP N N 15 122.648 0.1 . 1 . . . . . 726 D N . 50456 1 131 . 1 . 1 73 73 SER H H 1 8.519 0.02 . 1 . . . . . 727 S HN . 50456 1 132 . 1 . 1 73 73 SER N N 15 115.399 0.1 . 1 . . . . . 727 S N . 50456 1 133 . 1 . 1 74 74 GLN H H 1 7.751 0.02 . 1 . . . . . 728 Q HN . 50456 1 134 . 1 . 1 74 74 GLN N N 15 123.395 0.1 . 1 . . . . . 728 Q N . 50456 1 135 . 1 . 1 75 75 ILE H H 1 7.956 0.02 . 1 . . . . . 729 I HN . 50456 1 136 . 1 . 1 75 75 ILE N N 15 119.679 0.1 . 1 . . . . . 729 I N . 50456 1 137 . 1 . 1 76 76 LEU H H 1 8.478 0.02 . 1 . . . . . 730 L HN . 50456 1 138 . 1 . 1 76 76 LEU N N 15 125.429 0.1 . 1 . . . . . 730 L N . 50456 1 139 . 1 . 1 77 77 ASP H H 1 7.788 0.02 . 1 . . . . . 731 D HN . 50456 1 140 . 1 . 1 77 77 ASP N N 15 118.851 0.1 . 1 . . . . . 731 D N . 50456 1 141 . 1 . 1 78 78 LEU H H 1 8.133 0.02 . 1 . . . . . 732 L HN . 50456 1 142 . 1 . 1 78 78 LEU N N 15 118.678 0.1 . 1 . . . . . 732 L N . 50456 1 143 . 1 . 1 79 79 SER H H 1 8.294 0.02 . 1 . . . . . 733 S HN . 50456 1 144 . 1 . 1 79 79 SER N N 15 115.007 0.1 . 1 . . . . . 733 S N . 50456 1 145 . 1 . 1 80 80 ASN H H 1 8.681 0.02 . 1 . . . . . 734 N HN . 50456 1 146 . 1 . 1 80 80 ASN N N 15 118.755 0.1 . 1 . . . . . 734 N N . 50456 1 147 . 1 . 1 81 81 ARG H H 1 8.446 0.02 . 1 . . . . . 735 R HN . 50456 1 148 . 1 . 1 81 81 ARG N N 15 121.944 0.1 . 1 . . . . . 735 R N . 50456 1 149 . 1 . 1 82 82 PHE H H 1 8.371 0.02 . 1 . . . . . 736 F HN . 50456 1 150 . 1 . 1 82 82 PHE N N 15 122.564 0.1 . 1 . . . . . 736 F N . 50456 1 151 . 1 . 1 83 83 TYR H H 1 8.177 0.02 . 1 . . . . . 737 Y HN . 50456 1 152 . 1 . 1 83 83 TYR N N 15 115.462 0.1 . 1 . . . . . 737 Y N . 50456 1 153 . 1 . 1 84 84 THR H H 1 7.831 0.02 . 1 . . . . . 738 T HN . 50456 1 154 . 1 . 1 84 84 THR N N 15 115.623 0.1 . 1 . . . . . 738 T N . 50456 1 155 . 1 . 1 85 85 LEU H H 1 7.271 0.02 . 1 . . . . . 739 L HN . 50456 1 156 . 1 . 1 85 85 LEU N N 15 122.683 0.1 . 1 . . . . . 739 L N . 50456 1 157 . 1 . 1 86 86 ILE H H 1 7.820 0.02 . 1 . . . . . 740 I HN . 50456 1 158 . 1 . 1 86 86 ILE N N 15 116.703 0.1 . 1 . . . . . 740 I N . 50456 1 159 . 1 . 1 88 88 HIS H H 1 9.043 0.02 . 1 . . . . . 742 H HN . 50456 1 160 . 1 . 1 88 88 HIS N N 15 123.238 0.1 . 1 . . . . . 742 H N . 50456 1 161 . 1 . 1 89 89 ASP H H 1 8.647 0.02 . 1 . . . . . 743 D HN . 50456 1 162 . 1 . 1 89 89 ASP N N 15 121.527 0.1 . 1 . . . . . 743 D N . 50456 1 163 . 1 . 1 90 90 PHE H H 1 8.539 0.02 . 1 . . . . . 744 F HN . 50456 1 164 . 1 . 1 90 90 PHE N N 15 122.915 0.1 . 1 . . . . . 744 F N . 50456 1 165 . 1 . 1 91 91 GLY H H 1 8.718 0.02 . 1 . . . . . 745 G HN . 50456 1 166 . 1 . 1 91 91 GLY N N 15 111.118 0.1 . 1 . . . . . 745 G N . 50456 1 167 . 1 . 1 92 92 MET H H 1 9.025 0.02 . 1 . . . . . 746 M HN . 50456 1 168 . 1 . 1 92 92 MET N N 15 124.694 0.1 . 1 . . . . . 746 M N . 50456 1 169 . 1 . 1 93 93 LYS H H 1 7.835 0.02 . 1 . . . . . 747 K HN . 50456 1 170 . 1 . 1 93 93 LYS N N 15 120.753 0.1 . 1 . . . . . 747 K N . 50456 1 171 . 1 . 1 94 94 LYS H H 1 8.199 0.02 . 1 . . . . . 748 K HN . 50456 1 172 . 1 . 1 94 94 LYS N N 15 122.247 0.1 . 1 . . . . . 748 K N . 50456 1 173 . 1 . 1 97 97 LEU H H 1 8.431 0.02 . 1 . . . . . 751 L HN . 50456 1 174 . 1 . 1 97 97 LEU N N 15 123.956 0.1 . 1 . . . . . 751 L N . 50456 1 175 . 1 . 1 98 98 LEU H H 1 7.937 0.02 . 1 . . . . . 752 L HN . 50456 1 176 . 1 . 1 98 98 LEU N N 15 123.203 0.1 . 1 . . . . . 752 L N . 50456 1 177 . 1 . 1 99 99 ASN H H 1 7.352 0.02 . 1 . . . . . 753 N HN . 50456 1 178 . 1 . 1 99 99 ASN N N 15 113.879 0.1 . 1 . . . . . 753 N N . 50456 1 179 . 1 . 1 100 100 ASN H H 1 7.491 0.02 . 1 . . . . . 754 N HN . 50456 1 180 . 1 . 1 100 100 ASN N N 15 112.628 0.1 . 1 . . . . . 754 N N . 50456 1 181 . 1 . 1 101 101 ALA H H 1 9.025 0.02 . 1 . . . . . 755 A HN . 50456 1 182 . 1 . 1 101 101 ALA N N 15 123.955 0.1 . 1 . . . . . 755 A N . 50456 1 183 . 1 . 1 102 102 ASP H H 1 8.419 0.02 . 1 . . . . . 756 D HN . 50456 1 184 . 1 . 1 102 102 ASP N N 15 118.473 0.1 . 1 . . . . . 756 D N . 50456 1 185 . 1 . 1 103 103 SER H H 1 8.305 0.02 . 1 . . . . . 757 S HN . 50456 1 186 . 1 . 1 103 103 SER N N 15 117.207 0.1 . 1 . . . . . 757 S N . 50456 1 187 . 1 . 1 104 104 VAL H H 1 7.408 0.02 . 1 . . . . . 758 V HN . 50456 1 188 . 1 . 1 104 104 VAL N N 15 122.154 0.1 . 1 . . . . . 758 V N . 50456 1 189 . 1 . 1 105 105 GLN H H 1 8.116 0.02 . 1 . . . . . 759 Q HN . 50456 1 190 . 1 . 1 105 105 GLN N N 15 118.500 0.1 . 1 . . . . . 759 Q N . 50456 1 191 . 1 . 1 106 106 ALA H H 1 8.128 0.02 . 1 . . . . . 760 A HN . 50456 1 192 . 1 . 1 106 106 ALA N N 15 120.603 0.1 . 1 . . . . . 760 A N . 50456 1 193 . 1 . 1 107 107 LYS H H 1 7.985 0.02 . 1 . . . . . 761 K HN . 50456 1 194 . 1 . 1 107 107 LYS N N 15 115.600 0.1 . 1 . . . . . 761 K N . 50456 1 195 . 1 . 1 108 108 ALA H H 1 8.590 0.02 . 1 . . . . . 762 A HN . 50456 1 196 . 1 . 1 108 108 ALA N N 15 125.363 0.1 . 1 . . . . . 762 A N . 50456 1 197 . 1 . 1 109 109 GLU H H 1 7.847 0.02 . 1 . . . . . 763 E HN . 50456 1 198 . 1 . 1 109 109 GLU N N 15 116.753 0.1 . 1 . . . . . 763 E N . 50456 1 199 . 1 . 1 110 110 MET H H 1 7.359 0.02 . 1 . . . . . 764 M HN . 50456 1 200 . 1 . 1 110 110 MET N N 15 119.003 0.1 . 1 . . . . . 764 M N . 50456 1 201 . 1 . 1 111 111 LEU H H 1 8.096 0.02 . 1 . . . . . 765 L HN . 50456 1 202 . 1 . 1 111 111 LEU N N 15 120.735 0.1 . 1 . . . . . 765 L N . 50456 1 203 . 1 . 1 112 112 ASP H H 1 8.715 0.02 . 1 . . . . . 766 D HN . 50456 1 204 . 1 . 1 112 112 ASP N N 15 120.034 0.1 . 1 . . . . . 766 D N . 50456 1 205 . 1 . 1 113 113 ASN H H 1 7.457 0.02 . 1 . . . . . 767 N HN . 50456 1 206 . 1 . 1 113 113 ASN N N 15 116.762 0.1 . 1 . . . . . 767 N N . 50456 1 207 . 1 . 1 114 114 LEU H H 1 8.757 0.02 . 1 . . . . . 768 L HN . 50456 1 208 . 1 . 1 114 114 LEU N N 15 120.107 0.1 . 1 . . . . . 768 L N . 50456 1 209 . 1 . 1 115 115 LEU H H 1 8.789 0.02 . 1 . . . . . 769 L HN . 50456 1 210 . 1 . 1 115 115 LEU N N 15 119.732 0.1 . 1 . . . . . 769 L N . 50456 1 211 . 1 . 1 116 116 ASP H H 1 7.264 0.02 . 1 . . . . . 770 D HN . 50456 1 212 . 1 . 1 116 116 ASP N N 15 117.496 0.1 . 1 . . . . . 770 D N . 50456 1 213 . 1 . 1 117 117 ILE H H 1 8.713 0.02 . 1 . . . . . 771 I HN . 50456 1 214 . 1 . 1 117 117 ILE N N 15 128.015 0.1 . 1 . . . . . 771 I N . 50456 1 215 . 1 . 1 118 118 GLU H H 1 8.774 0.02 . 1 . . . . . 772 E HN . 50456 1 216 . 1 . 1 118 118 GLU N N 15 121.172 0.1 . 1 . . . . . 772 E N . 50456 1 217 . 1 . 1 119 119 VAL H H 1 7.500 0.02 . 1 . . . . . 773 V HN . 50456 1 218 . 1 . 1 119 119 VAL N N 15 118.219 0.1 . 1 . . . . . 773 V N . 50456 1 219 . 1 . 1 120 120 ALA H H 1 7.907 0.02 . 1 . . . . . 774 A HN . 50456 1 220 . 1 . 1 120 120 ALA N N 15 122.254 0.1 . 1 . . . . . 774 A N . 50456 1 221 . 1 . 1 121 121 TYR H H 1 9.202 0.02 . 1 . . . . . 775 Y HN . 50456 1 222 . 1 . 1 121 121 TYR N N 15 118.036 0.1 . 1 . . . . . 775 Y N . 50456 1 223 . 1 . 1 122 122 SER H H 1 8.750 0.02 . 1 . . . . . 776 S HN . 50456 1 224 . 1 . 1 122 122 SER N N 15 115.242 0.1 . 1 . . . . . 776 S N . 50456 1 225 . 1 . 1 123 123 LEU H H 1 8.113 0.02 . 1 . . . . . 777 L HN . 50456 1 226 . 1 . 1 123 123 LEU N N 15 122.814 0.1 . 1 . . . . . 777 L N . 50456 1 227 . 1 . 1 124 124 LEU H H 1 7.914 0.02 . 1 . . . . . 778 L HN . 50456 1 228 . 1 . 1 124 124 LEU N N 15 119.884 0.1 . 1 . . . . . 778 L N . 50456 1 229 . 1 . 1 125 125 ARG H H 1 7.805 0.02 . 1 . . . . . 779 R HN . 50456 1 230 . 1 . 1 125 125 ARG N N 15 117.314 0.1 . 1 . . . . . 779 R N . 50456 1 231 . 1 . 1 126 126 GLY H H 1 7.776 0.02 . 1 . . . . . 780 G HN . 50456 1 232 . 1 . 1 126 126 GLY N N 15 108.132 0.1 . 1 . . . . . 780 G N . 50456 1 233 . 1 . 1 127 127 GLY H H 1 8.027 0.02 . 1 . . . . . 781 G HN . 50456 1 234 . 1 . 1 127 127 GLY N N 15 107.784 0.1 . 1 . . . . . 781 G N . 50456 1 235 . 1 . 1 128 128 SER H H 1 8.324 0.02 . 1 . . . . . 782 S HN . 50456 1 236 . 1 . 1 128 128 SER N N 15 115.317 0.1 . 1 . . . . . 782 S N . 50456 1 237 . 1 . 1 129 129 ASP H H 1 8.488 0.02 . 1 . . . . . 783 D HN . 50456 1 238 . 1 . 1 129 129 ASP N N 15 123.092 0.1 . 1 . . . . . 783 D N . 50456 1 239 . 1 . 1 130 130 ASP H H 1 8.197 0.02 . 1 . . . . . 784 D HN . 50456 1 240 . 1 . 1 130 130 ASP N N 15 120.671 0.1 . 1 . . . . . 784 D N . 50456 1 241 . 1 . 1 131 131 SER H H 1 8.617 0.02 . 1 . . . . . 785 S HN . 50456 1 242 . 1 . 1 131 131 SER N N 15 119.720 0.1 . 1 . . . . . 785 S N . 50456 1 243 . 1 . 1 132 132 SER H H 1 8.698 0.02 . 1 . . . . . 786 S HN . 50456 1 244 . 1 . 1 132 132 SER N N 15 117.395 0.1 . 1 . . . . . 786 S N . 50456 1 245 . 1 . 1 133 133 LYS H H 1 7.458 0.02 . 1 . . . . . 787 K HN . 50456 1 246 . 1 . 1 133 133 LYS N N 15 122.325 0.1 . 1 . . . . . 787 K N . 50456 1 247 . 1 . 1 134 134 ASP H H 1 9.010 0.02 . 1 . . . . . 788 D HN . 50456 1 248 . 1 . 1 134 134 ASP N N 15 125.763 0.1 . 1 . . . . . 788 D N . 50456 1 249 . 1 . 1 136 136 ILE H H 1 8.947 0.02 . 1 . . . . . 790 I HN . 50456 1 250 . 1 . 1 136 136 ILE N N 15 117.917 0.1 . 1 . . . . . 790 I N . 50456 1 251 . 1 . 1 137 137 ASP H H 1 7.335 0.02 . 1 . . . . . 791 D HN . 50456 1 252 . 1 . 1 137 137 ASP N N 15 121.083 0.1 . 1 . . . . . 791 D N . 50456 1 253 . 1 . 1 138 138 VAL H H 1 7.819 0.02 . 1 . . . . . 792 V HN . 50456 1 254 . 1 . 1 138 138 VAL N N 15 121.092 0.1 . 1 . . . . . 792 V N . 50456 1 255 . 1 . 1 139 139 ASN H H 1 7.992 0.02 . 1 . . . . . 793 N HN . 50456 1 256 . 1 . 1 139 139 ASN N N 15 118.848 0.1 . 1 . . . . . 793 N N . 50456 1 257 . 1 . 1 140 140 TYR H H 1 8.531 0.02 . 1 . . . . . 794 Y HN . 50456 1 258 . 1 . 1 140 140 TYR N N 15 119.194 0.1 . 1 . . . . . 794 Y N . 50456 1 259 . 1 . 1 141 141 GLU H H 1 8.340 0.02 . 1 . . . . . 795 E HN . 50456 1 260 . 1 . 1 141 141 GLU N N 15 120.949 0.1 . 1 . . . . . 795 E N . 50456 1 261 . 1 . 1 142 142 LYS H H 1 7.598 0.02 . 1 . . . . . 796 K HN . 50456 1 262 . 1 . 1 142 142 LYS N N 15 117.302 0.1 . 1 . . . . . 796 K N . 50456 1 263 . 1 . 1 143 143 LEU H H 1 7.433 0.02 . 1 . . . . . 797 L HN . 50456 1 264 . 1 . 1 143 143 LEU N N 15 113.784 0.1 . 1 . . . . . 797 L N . 50456 1 265 . 1 . 1 144 144 LYS H H 1 7.545 0.02 . 1 . . . . . 798 K HN . 50456 1 266 . 1 . 1 144 144 LYS N N 15 114.471 0.1 . 1 . . . . . 798 K N . 50456 1 267 . 1 . 1 145 145 THR H H 1 8.382 0.02 . 1 . . . . . 799 T HN . 50456 1 268 . 1 . 1 145 145 THR N N 15 114.392 0.1 . 1 . . . . . 799 T N . 50456 1 269 . 1 . 1 146 146 ASP H H 1 8.288 0.02 . 1 . . . . . 800 D HN . 50456 1 270 . 1 . 1 146 146 ASP N N 15 128.012 0.1 . 1 . . . . . 800 D N . 50456 1 271 . 1 . 1 147 147 ILE H H 1 8.075 0.02 . 1 . . . . . 801 I HN . 50456 1 272 . 1 . 1 147 147 ILE N N 15 125.939 0.1 . 1 . . . . . 801 I N . 50456 1 273 . 1 . 1 148 148 LYS H H 1 8.793 0.02 . 1 . . . . . 802 K HN . 50456 1 274 . 1 . 1 148 148 LYS N N 15 125.865 0.1 . 1 . . . . . 802 K N . 50456 1 275 . 1 . 1 149 149 VAL H H 1 9.220 0.02 . 1 . . . . . 803 V HN . 50456 1 276 . 1 . 1 149 149 VAL N N 15 123.652 0.1 . 1 . . . . . 803 V N . 50456 1 277 . 1 . 1 150 150 VAL H H 1 8.709 0.02 . 1 . . . . . 804 V HN . 50456 1 278 . 1 . 1 150 150 VAL N N 15 131.217 0.1 . 1 . . . . . 804 V N . 50456 1 279 . 1 . 1 151 151 ASP H H 1 8.817 0.02 . 1 . . . . . 805 D HN . 50456 1 280 . 1 . 1 151 151 ASP N N 15 128.271 0.1 . 1 . . . . . 805 D N . 50456 1 281 . 1 . 1 152 152 ARG H H 1 8.826 0.02 . 1 . . . . . 806 R HN . 50456 1 282 . 1 . 1 152 152 ARG N N 15 127.087 0.1 . 1 . . . . . 806 R N . 50456 1 283 . 1 . 1 153 153 ASP H H 1 8.514 0.02 . 1 . . . . . 807 D HN . 50456 1 284 . 1 . 1 153 153 ASP N N 15 117.548 0.1 . 1 . . . . . 807 D N . 50456 1 285 . 1 . 1 154 154 SER H H 1 7.657 0.02 . 1 . . . . . 808 S HN . 50456 1 286 . 1 . 1 154 154 SER N N 15 115.324 0.1 . 1 . . . . . 808 S N . 50456 1 287 . 1 . 1 155 155 GLU H H 1 9.026 0.02 . 1 . . . . . 809 E HN . 50456 1 288 . 1 . 1 155 155 GLU N N 15 123.642 0.1 . 1 . . . . . 809 E N . 50456 1 289 . 1 . 1 156 156 GLU H H 1 8.697 0.02 . 1 . . . . . 810 E HN . 50456 1 290 . 1 . 1 156 156 GLU N N 15 117.971 0.1 . 1 . . . . . 810 E N . 50456 1 291 . 1 . 1 157 157 ALA H H 1 7.415 0.02 . 1 . . . . . 811 A HN . 50456 1 292 . 1 . 1 157 157 ALA N N 15 119.643 0.1 . 1 . . . . . 811 A N . 50456 1 293 . 1 . 1 158 158 GLU H H 1 7.785 0.02 . 1 . . . . . 812 E HN . 50456 1 294 . 1 . 1 158 158 GLU N N 15 118.318 0.1 . 1 . . . . . 812 E N . 50456 1 295 . 1 . 1 159 159 ILE H H 1 8.036 0.02 . 1 . . . . . 813 I HN . 50456 1 296 . 1 . 1 159 159 ILE N N 15 120.412 0.1 . 1 . . . . . 813 I N . 50456 1 297 . 1 . 1 160 160 ILE H H 1 7.743 0.02 . 1 . . . . . 814 I HN . 50456 1 298 . 1 . 1 160 160 ILE N N 15 119.984 0.1 . 1 . . . . . 814 I N . 50456 1 299 . 1 . 1 161 161 ARG H H 1 8.845 0.02 . 1 . . . . . 815 R HN . 50456 1 300 . 1 . 1 161 161 ARG N N 15 118.212 0.1 . 1 . . . . . 815 R N . 50456 1 301 . 1 . 1 162 162 LYS H H 1 8.205 0.02 . 1 . . . . . 816 K HN . 50456 1 302 . 1 . 1 162 162 LYS N N 15 121.915 0.1 . 1 . . . . . 816 K N . 50456 1 303 . 1 . 1 163 163 TYR H H 1 8.480 0.02 . 1 . . . . . 817 Y HN . 50456 1 304 . 1 . 1 163 163 TYR N N 15 122.519 0.1 . 1 . . . . . 817 Y N . 50456 1 305 . 1 . 1 164 164 VAL H H 1 8.426 0.02 . 1 . . . . . 818 V HN . 50456 1 306 . 1 . 1 164 164 VAL N N 15 119.620 0.1 . 1 . . . . . 818 V N . 50456 1 307 . 1 . 1 165 165 LYS H H 1 8.171 0.02 . 1 . . . . . 819 K HN . 50456 1 308 . 1 . 1 165 165 LYS N N 15 117.316 0.1 . 1 . . . . . 819 K N . 50456 1 309 . 1 . 1 166 166 ASN H H 1 9.265 0.02 . 1 . . . . . 820 N HN . 50456 1 310 . 1 . 1 166 166 ASN N N 15 115.578 0.1 . 1 . . . . . 820 N N . 50456 1 311 . 1 . 1 167 167 THR H H 1 7.458 0.02 . 1 . . . . . 821 T HN . 50456 1 312 . 1 . 1 167 167 THR N N 15 105.570 0.1 . 1 . . . . . 821 T N . 50456 1 313 . 1 . 1 168 168 HIS H H 1 7.137 0.02 . 1 . . . . . 822 H HN . 50456 1 314 . 1 . 1 168 168 HIS N N 15 120.013 0.1 . 1 . . . . . 822 H N . 50456 1 315 . 1 . 1 174 174 ALA H H 1 8.520 0.02 . 1 . . . . . 828 A HN . 50456 1 316 . 1 . 1 174 174 ALA N N 15 122.468 0.1 . 1 . . . . . 828 A N . 50456 1 317 . 1 . 1 175 175 TYR H H 1 6.918 0.02 . 1 . . . . . 829 Y HN . 50456 1 318 . 1 . 1 175 175 TYR N N 15 111.562 0.1 . 1 . . . . . 829 Y N . 50456 1 319 . 1 . 1 176 176 ASP H H 1 8.293 0.02 . 1 . . . . . 830 D HN . 50456 1 320 . 1 . 1 176 176 ASP N N 15 119.629 0.1 . 1 . . . . . 830 D N . 50456 1 321 . 1 . 1 178 178 GLU H H 1 8.644 0.02 . 1 . . . . . 832 E HN . 50456 1 322 . 1 . 1 178 178 GLU N N 15 122.314 0.1 . 1 . . . . . 832 E N . 50456 1 323 . 1 . 1 179 179 VAL H H 1 9.178 0.02 . 1 . . . . . 833 V HN . 50456 1 324 . 1 . 1 179 179 VAL N N 15 126.026 0.1 . 1 . . . . . 833 V N . 50456 1 325 . 1 . 1 180 180 ILE H H 1 9.003 0.02 . 1 . . . . . 834 I HN . 50456 1 326 . 1 . 1 180 180 ILE N N 15 129.475 0.1 . 1 . . . . . 834 I N . 50456 1 327 . 1 . 1 181 181 ASP H H 1 7.274 0.02 . 1 . . . . . 835 D HN . 50456 1 328 . 1 . 1 181 181 ASP N N 15 114.490 0.1 . 1 . . . . . 835 D N . 50456 1 329 . 1 . 1 182 182 ILE H H 1 8.628 0.02 . 1 . . . . . 836 I HN . 50456 1 330 . 1 . 1 182 182 ILE N N 15 119.724 0.1 . 1 . . . . . 836 I N . 50456 1 331 . 1 . 1 183 183 PHE H H 1 9.461 0.02 . 1 . . . . . 837 F HN . 50456 1 332 . 1 . 1 183 183 PHE N N 15 123.339 0.1 . 1 . . . . . 837 F N . 50456 1 333 . 1 . 1 184 184 LYS H H 1 9.672 0.02 . 1 . . . . . 838 K HN . 50456 1 334 . 1 . 1 184 184 LYS N N 15 126.610 0.1 . 1 . . . . . 838 K N . 50456 1 335 . 1 . 1 185 185 ILE H H 1 7.866 0.02 . 1 . . . . . 839 I HN . 50456 1 336 . 1 . 1 185 185 ILE N N 15 120.216 0.1 . 1 . . . . . 839 I N . 50456 1 337 . 1 . 1 186 186 GLU H H 1 8.128 0.02 . 1 . . . . . 840 E HN . 50456 1 338 . 1 . 1 186 186 GLU N N 15 119.905 0.1 . 1 . . . . . 840 E N . 50456 1 339 . 1 . 1 187 187 ARG H H 1 9.727 0.02 . 1 . . . . . 841 R HN . 50456 1 340 . 1 . 1 187 187 ARG N N 15 131.504 0.1 . 1 . . . . . 841 R N . 50456 1 341 . 1 . 1 188 188 GLU H H 1 8.862 0.02 . 1 . . . . . 842 E HN . 50456 1 342 . 1 . 1 188 188 GLU N N 15 128.028 0.1 . 1 . . . . . 842 E N . 50456 1 343 . 1 . 1 189 189 GLY H H 1 9.172 0.02 . 1 . . . . . 843 G HN . 50456 1 344 . 1 . 1 189 189 GLY N N 15 114.795 0.1 . 1 . . . . . 843 G N . 50456 1 345 . 1 . 1 190 190 GLU H H 1 7.783 0.02 . 1 . . . . . 844 E HN . 50456 1 346 . 1 . 1 190 190 GLU N N 15 124.579 0.1 . 1 . . . . . 844 E N . 50456 1 347 . 1 . 1 191 191 CYS H H 1 9.145 0.02 . 1 . . . . . 845 C HN . 50456 1 348 . 1 . 1 191 191 CYS N N 15 118.322 0.1 . 1 . . . . . 845 C N . 50456 1 349 . 1 . 1 192 192 GLN H H 1 8.530 0.02 . 1 . . . . . 846 Q HN . 50456 1 350 . 1 . 1 192 192 GLN N N 15 119.788 0.1 . 1 . . . . . 846 Q N . 50456 1 351 . 1 . 1 193 193 ARG H H 1 7.590 0.02 . 1 . . . . . 847 R HN . 50456 1 352 . 1 . 1 193 193 ARG N N 15 120.394 0.1 . 1 . . . . . 847 R N . 50456 1 353 . 1 . 1 194 194 TYR H H 1 8.131 0.02 . 1 . . . . . 848 Y HN . 50456 1 354 . 1 . 1 194 194 TYR N N 15 118.252 0.1 . 1 . . . . . 848 Y N . 50456 1 355 . 1 . 1 195 195 LYS H H 1 7.242 0.02 . 1 . . . . . 849 K HN . 50456 1 356 . 1 . 1 195 195 LYS N N 15 117.908 0.1 . 1 . . . . . 849 K N . 50456 1 357 . 1 . 1 197 197 PHE H H 1 8.183 0.02 . 1 . . . . . 851 F HN . 50456 1 358 . 1 . 1 197 197 PHE N N 15 115.694 0.1 . 1 . . . . . 851 F N . 50456 1 359 . 1 . 1 198 198 LYS H H 1 7.376 0.02 . 1 . . . . . 852 K HN . 50456 1 360 . 1 . 1 198 198 LYS N N 15 119.859 0.1 . 1 . . . . . 852 K N . 50456 1 361 . 1 . 1 199 199 GLN H H 1 7.001 0.02 . 1 . . . . . 853 Q HN . 50456 1 362 . 1 . 1 199 199 GLN N N 15 110.851 0.1 . 1 . . . . . 853 Q N . 50456 1 363 . 1 . 1 200 200 LEU H H 1 7.579 0.02 . 1 . . . . . 854 L HN . 50456 1 364 . 1 . 1 200 200 LEU N N 15 124.080 0.1 . 1 . . . . . 854 L N . 50456 1 365 . 1 . 1 201 201 HIS H H 1 7.821 0.02 . 1 . . . . . 855 H HN . 50456 1 366 . 1 . 1 201 201 HIS N N 15 118.335 0.1 . 1 . . . . . 855 H N . 50456 1 367 . 1 . 1 202 202 ASN H H 1 8.683 0.02 . 1 . . . . . 856 N HN . 50456 1 368 . 1 . 1 202 202 ASN N N 15 112.903 0.1 . 1 . . . . . 856 N N . 50456 1 369 . 1 . 1 203 203 ARG H H 1 8.031 0.02 . 1 . . . . . 857 R HN . 50456 1 370 . 1 . 1 203 203 ARG N N 15 118.848 0.1 . 1 . . . . . 857 R N . 50456 1 371 . 1 . 1 204 204 ARG H H 1 8.435 0.02 . 1 . . . . . 858 R HN . 50456 1 372 . 1 . 1 204 204 ARG N N 15 121.864 0.1 . 1 . . . . . 858 R N . 50456 1 373 . 1 . 1 205 205 LEU H H 1 8.116 0.02 . 1 . . . . . 859 L HN . 50456 1 374 . 1 . 1 205 205 LEU N N 15 125.053 0.1 . 1 . . . . . 859 L N . 50456 1 375 . 1 . 1 206 206 LEU H H 1 8.805 0.02 . 1 . . . . . 860 L HN . 50456 1 376 . 1 . 1 206 206 LEU N N 15 126.179 0.1 . 1 . . . . . 860 L N . 50456 1 377 . 1 . 1 207 207 TRP H H 1 8.655 0.02 . 1 . . . . . 861 W HN . 50456 1 378 . 1 . 1 207 207 TRP N N 15 119.497 0.1 . 1 . . . . . 861 W N . 50456 1 379 . 1 . 1 208 208 HIS H H 1 9.031 0.02 . 1 . . . . . 862 H HN . 50456 1 380 . 1 . 1 208 208 HIS N N 15 116.478 0.1 . 1 . . . . . 862 H N . 50456 1 381 . 1 . 1 210 210 SER H H 1 7.503 0.02 . 1 . . . . . 864 S HN . 50456 1 382 . 1 . 1 210 210 SER N N 15 113.071 0.1 . 1 . . . . . 864 S N . 50456 1 383 . 1 . 1 211 211 ARG H H 1 7.868 0.02 . 1 . . . . . 865 R HN . 50456 1 384 . 1 . 1 211 211 ARG N N 15 121.968 0.1 . 1 . . . . . 865 R N . 50456 1 385 . 1 . 1 212 212 THR H H 1 9.508 0.02 . 1 . . . . . 866 T HN . 50456 1 386 . 1 . 1 212 212 THR N N 15 119.840 0.1 . 1 . . . . . 866 T N . 50456 1 387 . 1 . 1 213 213 THR H H 1 7.431 0.02 . 1 . . . . . 867 T HN . 50456 1 388 . 1 . 1 213 213 THR N N 15 106.981 0.1 . 1 . . . . . 867 T N . 50456 1 389 . 1 . 1 214 214 ASN H H 1 7.981 0.02 . 1 . . . . . 868 N HN . 50456 1 390 . 1 . 1 214 214 ASN N N 15 117.830 0.1 . 1 . . . . . 868 N N . 50456 1 391 . 1 . 1 215 215 PHE H H 1 7.798 0.02 . 1 . . . . . 869 F HN . 50456 1 392 . 1 . 1 215 215 PHE N N 15 118.322 0.1 . 1 . . . . . 869 F N . 50456 1 393 . 1 . 1 216 216 ALA H H 1 9.636 0.02 . 1 . . . . . 870 A HN . 50456 1 394 . 1 . 1 216 216 ALA N N 15 125.641 0.1 . 1 . . . . . 870 A N . 50456 1 395 . 1 . 1 217 217 GLY H H 1 8.941 0.02 . 1 . . . . . 871 G HN . 50456 1 396 . 1 . 1 217 217 GLY N N 15 109.044 0.1 . 1 . . . . . 871 G N . 50456 1 397 . 1 . 1 218 218 ILE H H 1 8.361 0.02 . 1 . . . . . 872 I HN . 50456 1 398 . 1 . 1 218 218 ILE N N 15 121.989 0.1 . 1 . . . . . 872 I N . 50456 1 399 . 1 . 1 219 219 LEU H H 1 8.665 0.02 . 1 . . . . . 873 L HN . 50456 1 400 . 1 . 1 219 219 LEU N N 15 116.411 0.1 . 1 . . . . . 873 L N . 50456 1 401 . 1 . 1 220 220 SER H H 1 7.962 0.02 . 1 . . . . . 874 S HN . 50456 1 402 . 1 . 1 220 220 SER N N 15 112.377 0.1 . 1 . . . . . 874 S N . 50456 1 403 . 1 . 1 221 221 GLN H H 1 8.469 0.02 . 1 . . . . . 875 Q HN . 50456 1 404 . 1 . 1 221 221 GLN N N 15 116.976 0.1 . 1 . . . . . 875 Q N . 50456 1 405 . 1 . 1 222 222 GLY H H 1 7.818 0.02 . 1 . . . . . 876 G HN . 50456 1 406 . 1 . 1 222 222 GLY N N 15 114.186 0.1 . 1 . . . . . 876 G N . 50456 1 407 . 1 . 1 223 223 LEU H H 1 8.633 0.02 . 1 . . . . . 877 L HN . 50456 1 408 . 1 . 1 223 223 LEU N N 15 118.172 0.1 . 1 . . . . . 877 L N . 50456 1 409 . 1 . 1 224 224 ARG H H 1 8.081 0.02 . 1 . . . . . 878 R HN . 50456 1 410 . 1 . 1 224 224 ARG N N 15 127.016 0.1 . 1 . . . . . 878 R N . 50456 1 411 . 1 . 1 225 225 ILE H H 1 7.046 0.02 . 1 . . . . . 879 I HN . 50456 1 412 . 1 . 1 225 225 ILE N N 15 114.116 0.1 . 1 . . . . . 879 I N . 50456 1 413 . 1 . 1 226 226 ALA H H 1 7.896 0.02 . 1 . . . . . 880 A HN . 50456 1 414 . 1 . 1 226 226 ALA N N 15 128.948 0.1 . 1 . . . . . 880 A N . 50456 1 415 . 1 . 1 229 229 GLU H H 1 9.402 0.02 . 1 . . . . . 883 E HN . 50456 1 416 . 1 . 1 229 229 GLU N N 15 113.924 0.1 . 1 . . . . . 883 E N . 50456 1 417 . 1 . 1 230 230 ALA H H 1 7.453 0.02 . 1 . . . . . 884 A HN . 50456 1 418 . 1 . 1 230 230 ALA N N 15 119.958 0.1 . 1 . . . . . 884 A N . 50456 1 419 . 1 . 1 232 232 VAL H H 1 9.211 0.02 . 1 . . . . . 886 V HN . 50456 1 420 . 1 . 1 232 232 VAL N N 15 125.450 0.1 . 1 . . . . . 886 V N . 50456 1 421 . 1 . 1 233 233 THR H H 1 7.503 0.02 . 1 . . . . . 887 T HN . 50456 1 422 . 1 . 1 233 233 THR N N 15 106.713 0.1 . 1 . . . . . 887 T N . 50456 1 423 . 1 . 1 234 234 GLY H H 1 8.056 0.02 . 1 . . . . . 888 G HN . 50456 1 424 . 1 . 1 234 234 GLY N N 15 107.630 0.1 . 1 . . . . . 888 G N . 50456 1 425 . 1 . 1 235 235 TYR H H 1 7.179 0.02 . 1 . . . . . 889 Y HN . 50456 1 426 . 1 . 1 235 235 TYR N N 15 117.129 0.1 . 1 . . . . . 889 Y N . 50456 1 427 . 1 . 1 237 237 PHE H H 1 8.865 0.02 . 1 . . . . . 891 F HN . 50456 1 428 . 1 . 1 237 237 PHE N N 15 112.705 0.1 . 1 . . . . . 891 F N . 50456 1 429 . 1 . 1 238 238 GLY H H 1 7.988 0.02 . 1 . . . . . 892 G HN . 50456 1 430 . 1 . 1 238 238 GLY N N 15 104.537 0.1 . 1 . . . . . 892 G N . 50456 1 431 . 1 . 1 239 239 LYS H H 1 9.153 0.02 . 1 . . . . . 893 K HN . 50456 1 432 . 1 . 1 239 239 LYS N N 15 121.219 0.1 . 1 . . . . . 893 K N . 50456 1 433 . 1 . 1 240 240 GLY H H 1 6.874 0.02 . 1 . . . . . 894 G HN . 50456 1 434 . 1 . 1 240 240 GLY N N 15 112.231 0.1 . 1 . . . . . 894 G N . 50456 1 435 . 1 . 1 241 241 ILE H H 1 8.456 0.02 . 1 . . . . . 895 I HN . 50456 1 436 . 1 . 1 241 241 ILE N N 15 121.117 0.1 . 1 . . . . . 895 I N . 50456 1 437 . 1 . 1 242 242 TYR H H 1 8.343 0.02 . 1 . . . . . 896 Y HN . 50456 1 438 . 1 . 1 242 242 TYR N N 15 127.694 0.1 . 1 . . . . . 896 Y N . 50456 1 439 . 1 . 1 243 243 PHE H H 1 10.374 0.02 . 1 . . . . . 897 F HN . 50456 1 440 . 1 . 1 243 243 PHE N N 15 117.812 0.1 . 1 . . . . . 897 F N . 50456 1 441 . 1 . 1 245 245 ASP H H 1 9.188 0.02 . 1 . . . . . 899 D HN . 50456 1 442 . 1 . 1 245 245 ASP N N 15 116.674 0.1 . 1 . . . . . 899 D N . 50456 1 443 . 1 . 1 246 246 MET H H 1 7.324 0.02 . 1 . . . . . 900 M HN . 50456 1 444 . 1 . 1 246 246 MET N N 15 113.146 0.1 . 1 . . . . . 900 M N . 50456 1 445 . 1 . 1 247 247 VAL H H 1 8.335 0.02 . 1 . . . . . 901 V HN . 50456 1 446 . 1 . 1 247 247 VAL N N 15 126.778 0.1 . 1 . . . . . 901 V N . 50456 1 447 . 1 . 1 248 248 SER H H 1 7.074 0.02 . 1 . . . . . 902 S HN . 50456 1 448 . 1 . 1 248 248 SER N N 15 113.352 0.1 . 1 . . . . . 902 S N . 50456 1 449 . 1 . 1 249 249 LYS H H 1 6.712 0.02 . 1 . . . . . 903 K HN . 50456 1 450 . 1 . 1 249 249 LYS N N 15 118.442 0.1 . 1 . . . . . 903 K N . 50456 1 451 . 1 . 1 250 250 SER H H 1 6.564 0.02 . 1 . . . . . 904 S HN . 50456 1 452 . 1 . 1 250 250 SER N N 15 112.997 0.1 . 1 . . . . . 904 S N . 50456 1 453 . 1 . 1 251 251 ALA H H 1 9.019 0.02 . 1 . . . . . 905 A HN . 50456 1 454 . 1 . 1 251 251 ALA N N 15 123.638 0.1 . 1 . . . . . 905 A N . 50456 1 455 . 1 . 1 252 252 ASN H H 1 7.099 0.02 . 1 . . . . . 906 N HN . 50456 1 456 . 1 . 1 252 252 ASN N N 15 115.852 0.1 . 1 . . . . . 906 N N . 50456 1 457 . 1 . 1 253 253 TYR H H 1 7.505 0.02 . 1 . . . . . 907 Y HN . 50456 1 458 . 1 . 1 253 253 TYR N N 15 115.997 0.1 . 1 . . . . . 907 Y N . 50456 1 459 . 1 . 1 254 254 CYS H H 1 7.384 0.02 . 1 . . . . . 908 C HN . 50456 1 460 . 1 . 1 254 254 CYS N N 15 117.345 0.1 . 1 . . . . . 908 C N . 50456 1 461 . 1 . 1 255 255 HIS H H 1 7.629 0.02 . 1 . . . . . 909 H HN . 50456 1 462 . 1 . 1 255 255 HIS N N 15 112.841 0.1 . 1 . . . . . 909 H N . 50456 1 463 . 1 . 1 256 256 THR H H 1 7.248 0.02 . 1 . . . . . 910 T HN . 50456 1 464 . 1 . 1 256 256 THR N N 15 107.866 0.1 . 1 . . . . . 910 T N . 50456 1 465 . 1 . 1 257 257 SER H H 1 8.047 0.02 . 1 . . . . . 911 S HN . 50456 1 466 . 1 . 1 257 257 SER N N 15 113.395 0.1 . 1 . . . . . 911 S N . 50456 1 467 . 1 . 1 258 258 GLN H H 1 8.369 0.02 . 1 . . . . . 912 Q HN . 50456 1 468 . 1 . 1 258 258 GLN N N 15 119.186 0.1 . 1 . . . . . 912 Q N . 50456 1 469 . 1 . 1 259 259 GLY H H 1 8.083 0.02 . 1 . . . . . 913 G HN . 50456 1 470 . 1 . 1 259 259 GLY N N 15 104.359 0.1 . 1 . . . . . 913 G N . 50456 1 471 . 1 . 1 260 260 ASP H H 1 7.239 0.02 . 1 . . . . . 914 D HN . 50456 1 472 . 1 . 1 260 260 ASP N N 15 119.349 0.1 . 1 . . . . . 914 D N . 50456 1 473 . 1 . 1 262 262 ILE H H 1 7.759 0.02 . 1 . . . . . 916 I HN . 50456 1 474 . 1 . 1 262 262 ILE N N 15 121.969 0.1 . 1 . . . . . 916 I N . 50456 1 475 . 1 . 1 263 263 GLY H H 1 9.112 0.02 . 1 . . . . . 917 G HN . 50456 1 476 . 1 . 1 263 263 GLY N N 15 113.595 0.1 . 1 . . . . . 917 G N . 50456 1 477 . 1 . 1 264 264 LEU H H 1 9.671 0.02 . 1 . . . . . 918 L HN . 50456 1 478 . 1 . 1 264 264 LEU N N 15 121.097 0.1 . 1 . . . . . 918 L N . 50456 1 479 . 1 . 1 265 265 ILE H H 1 8.335 0.02 . 1 . . . . . 919 I HN . 50456 1 480 . 1 . 1 265 265 ILE N N 15 115.333 0.1 . 1 . . . . . 919 I N . 50456 1 481 . 1 . 1 267 267 LEU H H 1 8.840 0.02 . 1 . . . . . 921 L HN . 50456 1 482 . 1 . 1 267 267 LEU N N 15 118.295 0.1 . 1 . . . . . 921 L N . 50456 1 483 . 1 . 1 268 268 GLY H H 1 9.558 0.02 . 1 . . . . . 922 G HN . 50456 1 484 . 1 . 1 268 268 GLY N N 15 109.869 0.1 . 1 . . . . . 922 G N . 50456 1 485 . 1 . 1 269 269 GLU H H 1 8.869 0.02 . 1 . . . . . 923 E HN . 50456 1 486 . 1 . 1 269 269 GLU N N 15 126.098 0.1 . 1 . . . . . 923 E N . 50456 1 487 . 1 . 1 270 270 VAL H H 1 8.759 0.02 . 1 . . . . . 924 V HN . 50456 1 488 . 1 . 1 270 270 VAL N N 15 127.106 0.1 . 1 . . . . . 924 V N . 50456 1 489 . 1 . 1 271 271 ALA H H 1 8.287 0.02 . 1 . . . . . 925 A HN . 50456 1 490 . 1 . 1 271 271 ALA N N 15 130.495 0.1 . 1 . . . . . 925 A N . 50456 1 491 . 1 . 1 272 272 LEU H H 1 7.707 0.02 . 1 . . . . . 926 L HN . 50456 1 492 . 1 . 1 272 272 LEU N N 15 123.345 0.1 . 1 . . . . . 926 L N . 50456 1 493 . 1 . 1 273 273 GLY H H 1 7.344 0.02 . 1 . . . . . 927 G HN . 50456 1 494 . 1 . 1 273 273 GLY N N 15 104.765 0.1 . 1 . . . . . 927 G N . 50456 1 495 . 1 . 1 274 274 ASN H H 1 11.668 0.02 . 1 . . . . . 928 N HN . 50456 1 496 . 1 . 1 274 274 ASN N N 15 128.370 0.1 . 1 . . . . . 928 N N . 50456 1 497 . 1 . 1 275 275 MET H H 1 8.947 0.02 . 1 . . . . . 929 M HN . 50456 1 498 . 1 . 1 275 275 MET N N 15 125.635 0.1 . 1 . . . . . 929 M N . 50456 1 499 . 1 . 1 276 276 TYR H H 1 9.777 0.02 . 1 . . . . . 930 Y HN . 50456 1 500 . 1 . 1 276 276 TYR N N 15 128.631 0.1 . 1 . . . . . 930 Y N . 50456 1 501 . 1 . 1 277 277 GLU H H 1 8.755 0.02 . 1 . . . . . 931 E HN . 50456 1 502 . 1 . 1 277 277 GLU N N 15 128.568 0.1 . 1 . . . . . 931 E N . 50456 1 503 . 1 . 1 278 278 LEU H H 1 8.813 0.02 . 1 . . . . . 932 L HN . 50456 1 504 . 1 . 1 278 278 LEU N N 15 124.850 0.1 . 1 . . . . . 932 L N . 50456 1 505 . 1 . 1 279 279 LYS H H 1 8.599 0.02 . 1 . . . . . 933 K HN . 50456 1 506 . 1 . 1 279 279 LYS N N 15 117.685 0.1 . 1 . . . . . 933 K N . 50456 1 507 . 1 . 1 280 280 HIS H H 1 7.267 0.02 . 1 . . . . . 934 H HN . 50456 1 508 . 1 . 1 280 280 HIS N N 15 112.621 0.1 . 1 . . . . . 934 H N . 50456 1 509 . 1 . 1 281 281 ALA H H 1 8.512 0.02 . 1 . . . . . 935 A HN . 50456 1 510 . 1 . 1 281 281 ALA N N 15 122.089 0.1 . 1 . . . . . 935 A N . 50456 1 511 . 1 . 1 282 282 SER H H 1 6.980 0.02 . 1 . . . . . 936 S HN . 50456 1 512 . 1 . 1 282 282 SER N N 15 116.002 0.1 . 1 . . . . . 936 S N . 50456 1 513 . 1 . 1 284 284 ILE H H 1 7.216 0.02 . 1 . . . . . 938 I HN . 50456 1 514 . 1 . 1 284 284 ILE N N 15 125.959 0.1 . 1 . . . . . 938 I N . 50456 1 515 . 1 . 1 285 285 SER H H 1 8.777 0.02 . 1 . . . . . 939 S HN . 50456 1 516 . 1 . 1 285 285 SER N N 15 119.136 0.1 . 1 . . . . . 939 S N . 50456 1 517 . 1 . 1 286 286 LYS H H 1 7.444 0.02 . 1 . . . . . 940 K HN . 50456 1 518 . 1 . 1 286 286 LYS N N 15 120.999 0.1 . 1 . . . . . 940 K N . 50456 1 519 . 1 . 1 287 287 LEU H H 1 8.524 0.02 . 1 . . . . . 941 L HN . 50456 1 520 . 1 . 1 287 287 LEU N N 15 125.366 0.1 . 1 . . . . . 941 L N . 50456 1 521 . 1 . 1 289 289 LYS H H 1 8.176 0.02 . 1 . . . . . 943 K HN . 50456 1 522 . 1 . 1 289 289 LYS N N 15 121.832 0.1 . 1 . . . . . 943 K N . 50456 1 523 . 1 . 1 290 290 GLY H H 1 8.785 0.02 . 1 . . . . . 944 G HN . 50456 1 524 . 1 . 1 290 290 GLY N N 15 113.554 0.1 . 1 . . . . . 944 G N . 50456 1 525 . 1 . 1 291 291 LYS H H 1 7.458 0.02 . 1 . . . . . 945 K HN . 50456 1 526 . 1 . 1 291 291 LYS N N 15 116.222 0.1 . 1 . . . . . 945 K N . 50456 1 527 . 1 . 1 292 292 HIS H H 1 9.625 0.02 . 1 . . . . . 946 H HN . 50456 1 528 . 1 . 1 292 292 HIS N N 15 117.764 0.1 . 1 . . . . . 946 H N . 50456 1 529 . 1 . 1 293 293 SER H H 1 8.273 0.02 . 1 . . . . . 947 S HN . 50456 1 530 . 1 . 1 293 293 SER N N 15 114.024 0.1 . 1 . . . . . 947 S N . 50456 1 531 . 1 . 1 294 294 VAL H H 1 9.393 0.02 . 1 . . . . . 948 V HN . 50456 1 532 . 1 . 1 294 294 VAL N N 15 120.836 0.1 . 1 . . . . . 948 V N . 50456 1 533 . 1 . 1 295 295 LYS H H 1 8.147 0.02 . 1 . . . . . 949 K HN . 50456 1 534 . 1 . 1 295 295 LYS N N 15 125.629 0.1 . 1 . . . . . 949 K N . 50456 1 535 . 1 . 1 296 296 GLY H H 1 9.470 0.02 . 1 . . . . . 950 G HN . 50456 1 536 . 1 . 1 296 296 GLY N N 15 116.042 0.1 . 1 . . . . . 950 G N . 50456 1 537 . 1 . 1 297 297 LEU H H 1 8.526 0.02 . 1 . . . . . 951 L HN . 50456 1 538 . 1 . 1 297 297 LEU N N 15 124.947 0.1 . 1 . . . . . 951 L N . 50456 1 539 . 1 . 1 298 298 GLY H H 1 9.060 0.02 . 1 . . . . . 952 G HN . 50456 1 540 . 1 . 1 298 298 GLY N N 15 109.441 0.1 . 1 . . . . . 952 G N . 50456 1 541 . 1 . 1 299 299 LYS H H 1 7.793 0.02 . 1 . . . . . 953 K HN . 50456 1 542 . 1 . 1 299 299 LYS N N 15 120.757 0.1 . 1 . . . . . 953 K N . 50456 1 543 . 1 . 1 300 300 THR H H 1 7.684 0.02 . 1 . . . . . 954 T HN . 50456 1 544 . 1 . 1 300 300 THR N N 15 116.705 0.1 . 1 . . . . . 954 T N . 50456 1 545 . 1 . 1 301 301 THR H H 1 9.227 0.02 . 1 . . . . . 955 T HN . 50456 1 546 . 1 . 1 301 301 THR N N 15 121.248 0.1 . 1 . . . . . 955 T N . 50456 1 547 . 1 . 1 303 303 ASP H H 1 8.627 0.02 . 1 . . . . . 957 D HN . 50456 1 548 . 1 . 1 303 303 ASP N N 15 126.079 0.1 . 1 . . . . . 957 D N . 50456 1 549 . 1 . 1 306 306 ALA H H 1 7.577 0.02 . 1 . . . . . 960 A HN . 50456 1 550 . 1 . 1 306 306 ALA N N 15 123.595 0.1 . 1 . . . . . 960 A N . 50456 1 551 . 1 . 1 307 307 ASN H H 1 7.168 0.02 . 1 . . . . . 961 N HN . 50456 1 552 . 1 . 1 307 307 ASN N N 15 116.747 0.1 . 1 . . . . . 961 N N . 50456 1 553 . 1 . 1 308 308 ILE H H 1 7.864 0.02 . 1 . . . . . 962 I HN . 50456 1 554 . 1 . 1 308 308 ILE N N 15 116.746 0.1 . 1 . . . . . 962 I N . 50456 1 555 . 1 . 1 309 309 SER H H 1 8.261 0.02 . 1 . . . . . 963 S HN . 50456 1 556 . 1 . 1 309 309 SER N N 15 115.672 0.1 . 1 . . . . . 963 S N . 50456 1 557 . 1 . 1 310 310 LEU H H 1 9.243 0.02 . 1 . . . . . 964 L HN . 50456 1 558 . 1 . 1 310 310 LEU N N 15 128.718 0.1 . 1 . . . . . 964 L N . 50456 1 559 . 1 . 1 311 311 ASP H H 1 9.367 0.02 . 1 . . . . . 965 D HN . 50456 1 560 . 1 . 1 311 311 ASP N N 15 127.887 0.1 . 1 . . . . . 965 D N . 50456 1 561 . 1 . 1 312 312 GLY H H 1 8.105 0.02 . 1 . . . . . 966 G HN . 50456 1 562 . 1 . 1 312 312 GLY N N 15 102.533 0.1 . 1 . . . . . 966 G N . 50456 1 563 . 1 . 1 313 313 VAL H H 1 7.528 0.02 . 1 . . . . . 967 V HN . 50456 1 564 . 1 . 1 313 313 VAL N N 15 121.728 0.1 . 1 . . . . . 967 V N . 50456 1 565 . 1 . 1 314 314 ASP H H 1 8.381 0.02 . 1 . . . . . 968 D HN . 50456 1 566 . 1 . 1 314 314 ASP N N 15 126.736 0.1 . 1 . . . . . 968 D N . 50456 1 567 . 1 . 1 315 315 VAL H H 1 9.124 0.02 . 1 . . . . . 969 V HN . 50456 1 568 . 1 . 1 315 315 VAL N N 15 123.681 0.1 . 1 . . . . . 969 V N . 50456 1 569 . 1 . 1 317 317 LEU H H 1 6.894 0.02 . 1 . . . . . 971 L HN . 50456 1 570 . 1 . 1 317 317 LEU N N 15 111.739 0.1 . 1 . . . . . 971 L N . 50456 1 571 . 1 . 1 318 318 GLY H H 1 8.676 0.02 . 1 . . . . . 972 G HN . 50456 1 572 . 1 . 1 318 318 GLY N N 15 106.377 0.1 . 1 . . . . . 972 G N . 50456 1 573 . 1 . 1 319 319 THR H H 1 7.680 0.02 . 1 . . . . . 973 T HN . 50456 1 574 . 1 . 1 319 319 THR N N 15 108.050 0.1 . 1 . . . . . 973 T N . 50456 1 575 . 1 . 1 320 320 GLY H H 1 8.422 0.02 . 1 . . . . . 974 G HN . 50456 1 576 . 1 . 1 320 320 GLY N N 15 108.348 0.1 . 1 . . . . . 974 G N . 50456 1 577 . 1 . 1 321 321 ILE H H 1 9.368 0.02 . 1 . . . . . 975 I HN . 50456 1 578 . 1 . 1 321 321 ILE N N 15 122.612 0.1 . 1 . . . . . 975 I N . 50456 1 579 . 1 . 1 322 322 SER H H 1 8.509 0.02 . 1 . . . . . 976 S HN . 50456 1 580 . 1 . 1 322 322 SER N N 15 115.102 0.1 . 1 . . . . . 976 S N . 50456 1 581 . 1 . 1 323 323 SER H H 1 8.813 0.02 . 1 . . . . . 977 S HN . 50456 1 582 . 1 . 1 323 323 SER N N 15 122.500 0.1 . 1 . . . . . 977 S N . 50456 1 583 . 1 . 1 324 324 GLY H H 1 8.455 0.02 . 1 . . . . . 978 G HN . 50456 1 584 . 1 . 1 324 324 GLY N N 15 110.510 0.1 . 1 . . . . . 978 G N . 50456 1 585 . 1 . 1 325 325 VAL H H 1 7.737 0.02 . 1 . . . . . 979 V HN . 50456 1 586 . 1 . 1 325 325 VAL N N 15 121.508 0.1 . 1 . . . . . 979 V N . 50456 1 587 . 1 . 1 326 326 ASN H H 1 8.606 0.02 . 1 . . . . . 980 N HN . 50456 1 588 . 1 . 1 326 326 ASN N N 15 124.069 0.1 . 1 . . . . . 980 N N . 50456 1 589 . 1 . 1 327 327 ASP H H 1 8.956 0.02 . 1 . . . . . 981 D HN . 50456 1 590 . 1 . 1 327 327 ASP N N 15 119.510 0.1 . 1 . . . . . 981 D N . 50456 1 591 . 1 . 1 328 328 THR H H 1 6.988 0.02 . 1 . . . . . 982 T HN . 50456 1 592 . 1 . 1 328 328 THR N N 15 109.554 0.1 . 1 . . . . . 982 T N . 50456 1 593 . 1 . 1 329 329 SER H H 1 8.449 0.02 . 1 . . . . . 983 S HN . 50456 1 594 . 1 . 1 329 329 SER N N 15 120.588 0.1 . 1 . . . . . 983 S N . 50456 1 595 . 1 . 1 330 330 LEU H H 1 8.221 0.02 . 1 . . . . . 984 L HN . 50456 1 596 . 1 . 1 330 330 LEU N N 15 125.269 0.1 . 1 . . . . . 984 L N . 50456 1 597 . 1 . 1 331 331 LEU H H 1 8.953 0.02 . 1 . . . . . 985 L HN . 50456 1 598 . 1 . 1 331 331 LEU N N 15 123.740 0.1 . 1 . . . . . 985 L N . 50456 1 599 . 1 . 1 332 332 TYR H H 1 7.208 0.02 . 1 . . . . . 986 Y HN . 50456 1 600 . 1 . 1 332 332 TYR N N 15 114.043 0.1 . 1 . . . . . 986 Y N . 50456 1 601 . 1 . 1 333 333 ASN H H 1 10.483 0.02 . 1 . . . . . 987 N HN . 50456 1 602 . 1 . 1 333 333 ASN N N 15 119.654 0.1 . 1 . . . . . 987 N N . 50456 1 603 . 1 . 1 334 334 GLU H H 1 8.500 0.02 . 1 . . . . . 988 E HN . 50456 1 604 . 1 . 1 334 334 GLU N N 15 118.277 0.1 . 1 . . . . . 988 E N . 50456 1 605 . 1 . 1 336 336 ILE H H 1 9.199 0.02 . 1 . . . . . 990 I HN . 50456 1 606 . 1 . 1 336 336 ILE N N 15 122.855 0.1 . 1 . . . . . 990 I N . 50456 1 607 . 1 . 1 337 337 VAL H H 1 7.736 0.02 . 1 . . . . . 991 V HN . 50456 1 608 . 1 . 1 337 337 VAL N N 15 113.290 0.1 . 1 . . . . . 991 V N . 50456 1 609 . 1 . 1 339 339 ASP H H 1 6.816 0.02 . 1 . . . . . 993 D HN . 50456 1 610 . 1 . 1 339 339 ASP N N 15 119.754 0.1 . 1 . . . . . 993 D N . 50456 1 611 . 1 . 1 340 340 ILE H H 1 8.472 0.02 . 1 . . . . . 994 I HN . 50456 1 612 . 1 . 1 340 340 ILE N N 15 120.584 0.1 . 1 . . . . . 994 I N . 50456 1 613 . 1 . 1 341 341 ALA H H 1 9.167 0.02 . 1 . . . . . 995 A HN . 50456 1 614 . 1 . 1 341 341 ALA N N 15 123.161 0.1 . 1 . . . . . 995 A N . 50456 1 615 . 1 . 1 342 342 GLN H H 1 7.114 0.02 . 1 . . . . . 996 Q HN . 50456 1 616 . 1 . 1 342 342 GLN N N 15 112.921 0.1 . 1 . . . . . 996 Q N . 50456 1 617 . 1 . 1 343 343 VAL H H 1 6.727 0.02 . 1 . . . . . 997 V HN . 50456 1 618 . 1 . 1 343 343 VAL N N 15 116.058 0.1 . 1 . . . . . 997 V N . 50456 1 619 . 1 . 1 344 344 ASN H H 1 8.674 0.02 . 1 . . . . . 998 N HN . 50456 1 620 . 1 . 1 344 344 ASN N N 15 124.781 0.1 . 1 . . . . . 998 N N . 50456 1 621 . 1 . 1 345 345 LEU H H 1 10.254 0.02 . 1 . . . . . 999 L HN . 50456 1 622 . 1 . 1 345 345 LEU N N 15 129.080 0.1 . 1 . . . . . 999 L N . 50456 1 623 . 1 . 1 346 346 LYS H H 1 8.090 0.02 . 1 . . . . . 1000 K HN . 50456 1 624 . 1 . 1 346 346 LYS N N 15 118.298 0.1 . 1 . . . . . 1000 K N . 50456 1 625 . 1 . 1 347 347 TYR H H 1 8.354 0.02 . 1 . . . . . 1001 Y HN . 50456 1 626 . 1 . 1 347 347 TYR N N 15 113.089 0.1 . 1 . . . . . 1001 Y N . 50456 1 627 . 1 . 1 348 348 LEU H H 1 9.437 0.02 . 1 . . . . . 1002 L HN . 50456 1 628 . 1 . 1 348 348 LEU N N 15 123.708 0.1 . 1 . . . . . 1002 L N . 50456 1 629 . 1 . 1 349 349 LEU H H 1 9.836 0.02 . 1 . . . . . 1003 L HN . 50456 1 630 . 1 . 1 349 349 LEU N N 15 127.829 0.1 . 1 . . . . . 1003 L N . 50456 1 631 . 1 . 1 350 350 LYS H H 1 8.665 0.02 . 1 . . . . . 1004 K HN . 50456 1 632 . 1 . 1 350 350 LYS N N 15 121.804 0.1 . 1 . . . . . 1004 K N . 50456 1 633 . 1 . 1 351 351 LEU H H 1 9.375 0.02 . 1 . . . . . 1005 L HN . 50456 1 634 . 1 . 1 351 351 LEU N N 15 128.134 0.1 . 1 . . . . . 1005 L N . 50456 1 635 . 1 . 1 352 352 LYS H H 1 9.178 0.02 . 1 . . . . . 1006 K HN . 50456 1 636 . 1 . 1 352 352 LYS N N 15 122.319 0.1 . 1 . . . . . 1006 K N . 50456 1 637 . 1 . 1 353 353 PHE H H 1 9.281 0.02 . 1 . . . . . 1007 F HN . 50456 1 638 . 1 . 1 353 353 PHE N N 15 128.094 0.1 . 1 . . . . . 1007 F N . 50456 1 639 . 1 . 1 354 354 ASN H H 1 8.667 0.02 . 1 . . . . . 1008 N HN . 50456 1 640 . 1 . 1 354 354 ASN N N 15 122.376 0.1 . 1 . . . . . 1008 N N . 50456 1 641 . 1 . 1 355 355 PHE H H 1 8.719 0.02 . 1 . . . . . 1009 F HN . 50456 1 642 . 1 . 1 355 355 PHE N N 15 124.955 0.1 . 1 . . . . . 1009 F N . 50456 1 643 . 1 . 1 356 356 LYS H H 1 8.440 0.02 . 1 . . . . . 1010 K HN . 50456 1 644 . 1 . 1 356 356 LYS N N 15 122.833 0.1 . 1 . . . . . 1010 K N . 50456 1 645 . 1 . 1 357 357 THR H H 1 8.271 0.02 . 1 . . . . . 1011 T HN . 50456 1 646 . 1 . 1 357 357 THR N N 15 114.574 0.1 . 1 . . . . . 1011 T N . 50456 1 647 . 1 . 1 358 358 SER H H 1 8.236 0.02 . 1 . . . . . 1012 S HN . 50456 1 648 . 1 . 1 358 358 SER N N 15 117.776 0.1 . 1 . . . . . 1012 S N . 50456 1 649 . 1 . 1 359 359 LEU H H 1 8.121 0.02 . 1 . . . . . 1013 L HN . 50456 1 650 . 1 . 1 359 359 LEU N N 15 124.193 0.1 . 1 . . . . . 1013 L N . 50456 1 651 . 1 . 1 360 360 TRP H H 1 7.503 0.02 . 1 . . . . . 1014 W HN . 50456 1 652 . 1 . 1 360 360 TRP N N 15 125.373 0.1 . 1 . . . . . 1014 W N . 50456 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 50456 _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 . 50456 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 -0.511 0.006 . . . 657 VAL N . 657 VAL H 50456 1 2 . 1 1 4 4 ASN N N 15 . 1 1 4 4 ASN H H 1 -0.152 0.011 . . . 658 ASN N . 658 ASN H 50456 1 3 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.099 0.023 . . . 660 GLY N . 660 GLY H 50456 1 4 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.351 0.010 . . . 661 THR N . 661 THR H 50456 1 5 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.400 0.015 . . . 662 LYS N . 662 LYS H 50456 1 6 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.377 0.030 . . . 663 SER N . 663 SER H 50456 1 7 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.595 0.047 . . . 664 LYS N . 664 LYS H 50456 1 8 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.201 0.009 . . . 665 LEU N . 665 LEU H 50456 1 9 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.505 0.156 . . . 667 LYS N . 667 LYS H 50456 1 10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.722 0.079 . . . 669 VAL N . 669 VAL H 50456 1 11 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.952 0.186 . . . 670 GLN N . 670 GLN H 50456 1 12 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.966 0.052 . . . 671 ASP N . 671 ASP H 50456 1 13 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.763 0.092 . . . 672 LEU N . 672 LEU H 50456 1 14 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.781 0.072 . . . 673 ILE N . 673 ILE H 50456 1 15 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.854 0.077 . . . 674 LYS N . 674 LYS H 50456 1 16 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.769 0.061 . . . 675 MET N . 675 MET H 50456 1 17 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.741 0.066 . . . 677 PHE N . 677 PHE H 50456 1 18 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.234 0.027 . . . 678 ASP N . 678 ASP H 50456 1 19 . 1 1 25 25 VAL N N 15 . 1 1 25 25 VAL H H 1 0.774 0.056 . . . 679 VAL N . 679 VAL H 50456 1 20 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.787 0.038 . . . 680 GLU N . 680 GLU H 50456 1 21 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.677 0.052 . . . 681 SER N . 681 SER H 50456 1 22 . 1 1 28 28 MET N N 15 . 1 1 28 28 MET H H 1 0.638 0.080 . . . 682 MET N . 682 MET H 50456 1 23 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.777 0.045 . . . 683 LYS N . 683 LYS H 50456 1 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.682 0.043 . . . 684 LYS N . 684 LYS H 50456 1 25 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.654 0.038 . . . 685 ALA N . 685 ALA H 50456 1 26 . 1 1 32 32 MET N N 15 . 1 1 32 32 MET H H 1 0.494 0.057 . . . 686 MET N . 686 MET H 50456 1 27 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.549 0.051 . . . 687 VAL N . 687 VAL H 50456 1 28 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.962 0.072 . . . 688 GLU N . 688 GLU H 50456 1 29 . 1 1 35 35 TYR N N 15 . 1 1 35 35 TYR H H 1 0.728 0.060 . . . 689 TYR N . 689 TYR H 50456 1 30 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.432 0.073 . . . 690 GLU N . 690 GLU H 50456 1 31 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.519 0.048 . . . 691 ILE N . 691 ILE H 50456 1 32 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.770 0.084 . . . 692 ASP N . 692 ASP H 50456 1 33 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.538 0.051 . . . 693 LEU N . 693 LEU H 50456 1 34 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.832 0.054 . . . 694 GLN N . 694 GLN H 50456 1 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.638 0.044 . . . 695 LYS N . 695 LYS H 50456 1 36 . 1 1 42 42 MET N N 15 . 1 1 42 42 MET H H 1 0.627 0.037 . . . 696 MET N . 696 MET H 50456 1 37 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.832 0.035 . . . 698 LEU N . 698 LEU H 50456 1 38 . 1 1 46 46 LYS N N 15 . 1 1 46 46 LYS H H 1 0.555 0.061 . . . 700 LYS N . 700 LYS H 50456 1 39 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.385 0.052 . . . 701 LEU N . 701 LEU H 50456 1 40 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 0.819 0.040 . . . 702 SER N . 702 SER H 50456 1 41 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.274 0.074 . . . 703 LYS N . 703 LYS H 50456 1 42 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.613 0.046 . . . 704 ARG N . 704 ARG H 50456 1 43 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 0.785 0.049 . . . 705 GLN N . 705 GLN H 50456 1 44 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.480 0.064 . . . 706 ILE N . 706 ILE H 50456 1 45 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.748 0.044 . . . 707 GLN N . 707 GLN H 50456 1 46 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.851 0.046 . . . 708 ALA N . 708 ALA H 50456 1 47 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.873 0.049 . . . 709 ALA N . 709 ALA H 50456 1 48 . 1 1 56 56 TYR N N 15 . 1 1 56 56 TYR H H 1 0.735 0.066 . . . 710 TYR N . 710 TYR H 50456 1 49 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.568 0.041 . . . 711 SER N . 711 SER H 50456 1 50 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.736 0.041 . . . 712 ILE N . 712 ILE H 50456 1 51 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.628 0.055 . . . 713 LEU N . 713 LEU H 50456 1 52 . 1 1 60 60 SER N N 15 . 1 1 60 60 SER H H 1 0.770 0.054 . . . 714 SER N . 714 SER H 50456 1 53 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.639 0.054 . . . 715 GLU N . 715 GLU H 50456 1 54 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.760 0.050 . . . 716 VAL N . 716 VAL H 50456 1 55 . 1 1 63 63 GLN N N 15 . 1 1 63 63 GLN H H 1 0.648 0.039 . . . 717 GLN N . 717 GLN H 50456 1 56 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.501 0.039 . . . 718 GLN N . 718 GLN H 50456 1 57 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.736 0.043 . . . 719 ALA N . 719 ALA H 50456 1 58 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.637 0.036 . . . 720 VAL N . 720 VAL H 50456 1 59 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.534 0.032 . . . 721 SER N . 721 SER H 50456 1 60 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.581 0.021 . . . 722 GLN N . 722 GLN H 50456 1 61 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.383 0.023 . . . 723 GLY N . 723 GLY H 50456 1 62 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.312 0.008 . . . 724 SER N . 724 SER H 50456 1 63 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.266 0.016 . . . 725 SER N . 725 SER H 50456 1 64 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.907 0.074 . . . 726 ASP N . 726 ASP H 50456 1 65 . 1 1 73 73 SER N N 15 . 1 1 73 73 SER H H 1 0.725 0.032 . . . 727 SER N . 727 SER H 50456 1 66 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.676 0.035 . . . 728 GLN N . 728 GLN H 50456 1 67 . 1 1 75 75 ILE N N 15 . 1 1 75 75 ILE H H 1 0.522 0.041 . . . 729 ILE N . 729 ILE H 50456 1 68 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.576 0.037 . . . 730 LEU N . 730 LEU H 50456 1 69 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.781 0.030 . . . 731 ASP N . 731 ASP H 50456 1 70 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.691 0.058 . . . 732 LEU N . 732 LEU H 50456 1 71 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.559 0.064 . . . 733 SER N . 733 SER H 50456 1 72 . 1 1 80 80 ASN N N 15 . 1 1 80 80 ASN H H 1 0.770 0.058 . . . 734 ASN N . 734 ASN H 50456 1 73 . 1 1 81 81 ARG N N 15 . 1 1 81 81 ARG H H 1 0.746 0.061 . . . 735 ARG N . 735 ARG H 50456 1 74 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.621 0.049 . . . 736 PHE N . 736 PHE H 50456 1 75 . 1 1 83 83 TYR N N 15 . 1 1 83 83 TYR H H 1 0.771 0.064 . . . 737 TYR N . 737 TYR H 50456 1 76 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 0.673 0.050 . . . 738 THR N . 738 THR H 50456 1 77 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.763 0.052 . . . 739 LEU N . 739 LEU H 50456 1 78 . 1 1 86 86 ILE N N 15 . 1 1 86 86 ILE H H 1 0.690 0.028 . . . 740 ILE N . 740 ILE H 50456 1 79 . 1 1 88 88 HIS N N 15 . 1 1 88 88 HIS H H 1 0.873 0.064 . . . 742 HIS N . 742 HIS H 50456 1 80 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.722 0.081 . . . 743 ASP N . 743 ASP H 50456 1 81 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.152 0.029 . . . 744 PHE N . 744 PHE H 50456 1 82 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.482 0.022 . . . 745 GLY N . 745 GLY H 50456 1 83 . 1 1 93 93 LYS N N 15 . 1 1 93 93 LYS H H 1 0.269 0.020 . . . 747 LYS N . 747 LYS H 50456 1 84 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.081 0.018 . . . 748 LYS N . 748 LYS H 50456 1 85 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.498 0.038 . . . 751 LEU N . 751 LEU H 50456 1 86 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.648 0.101 . . . 752 LEU N . 752 LEU H 50456 1 87 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 0.434 0.027 . . . 753 ASN N . 753 ASN H 50456 1 88 . 1 1 100 100 ASN N N 15 . 1 1 100 100 ASN H H 1 0.859 0.035 . . . 754 ASN N . 754 ASN H 50456 1 89 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.603 0.085 . . . 755 ALA N . 755 ALA H 50456 1 90 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.556 0.030 . . . 756 ASP N . 756 ASP H 50456 1 91 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.743 0.040 . . . 757 SER N . 757 SER H 50456 1 92 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.797 0.054 . . . 758 VAL N . 758 VAL H 50456 1 93 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.872 0.052 . . . 759 GLN N . 759 GLN H 50456 1 94 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.907 0.046 . . . 760 ALA N . 760 ALA H 50456 1 95 . 1 1 107 107 LYS N N 15 . 1 1 107 107 LYS H H 1 0.448 0.046 . . . 761 LYS N . 761 LYS H 50456 1 96 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.725 0.100 . . . 762 ALA N . 762 ALA H 50456 1 97 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 0.745 0.045 . . . 763 GLU N . 763 GLU H 50456 1 98 . 1 1 110 110 MET N N 15 . 1 1 110 110 MET H H 1 0.689 0.081 . . . 764 MET N . 764 MET H 50456 1 99 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 0.907 0.046 . . . 765 LEU N . 765 LEU H 50456 1 100 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.518 0.040 . . . 766 ASP N . 766 ASP H 50456 1 101 . 1 1 113 113 ASN N N 15 . 1 1 113 113 ASN H H 1 0.695 0.082 . . . 767 ASN N . 767 ASN H 50456 1 102 . 1 1 114 114 LEU N N 15 . 1 1 114 114 LEU H H 1 0.823 0.093 . . . 768 LEU N . 768 LEU H 50456 1 103 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.643 0.073 . . . 769 LEU N . 769 LEU H 50456 1 104 . 1 1 116 116 ASP N N 15 . 1 1 116 116 ASP H H 1 0.759 0.072 . . . 770 ASP N . 770 ASP H 50456 1 105 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 1.153 0.151 . . . 771 ILE N . 771 ILE H 50456 1 106 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.954 0.099 . . . 772 GLU N . 772 GLU H 50456 1 107 . 1 1 119 119 VAL N N 15 . 1 1 119 119 VAL H H 1 0.751 0.067 . . . 773 VAL N . 773 VAL H 50456 1 108 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.485 0.057 . . . 774 ALA N . 774 ALA H 50456 1 109 . 1 1 121 121 TYR N N 15 . 1 1 121 121 TYR H H 1 0.698 0.080 . . . 775 TYR N . 775 TYR H 50456 1 110 . 1 1 122 122 SER N N 15 . 1 1 122 122 SER H H 1 0.931 0.086 . . . 776 SER N . 776 SER H 50456 1 111 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.757 0.065 . . . 777 LEU N . 777 LEU H 50456 1 112 . 1 1 124 124 LEU N N 15 . 1 1 124 124 LEU H H 1 0.747 0.054 . . . 778 LEU N . 778 LEU H 50456 1 113 . 1 1 125 125 ARG N N 15 . 1 1 125 125 ARG H H 1 0.651 0.038 . . . 779 ARG N . 779 ARG H 50456 1 114 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.586 0.020 . . . 780 GLY N . 780 GLY H 50456 1 115 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.397 0.010 . . . 781 GLY N . 781 GLY H 50456 1 116 . 1 1 128 128 SER N N 15 . 1 1 128 128 SER H H 1 0.389 0.019 . . . 782 SER N . 782 SER H 50456 1 117 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.201 0.009 . . . 783 ASP N . 783 ASP H 50456 1 118 . 1 1 130 130 ASP N N 15 . 1 1 130 130 ASP H H 1 0.247 0.009 . . . 784 ASP N . 784 ASP H 50456 1 119 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.297 0.028 . . . 785 SER N . 785 SER H 50456 1 120 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.297 0.020 . . . 786 SER N . 786 SER H 50456 1 121 . 1 1 133 133 LYS N N 15 . 1 1 133 133 LYS H H 1 0.337 0.019 . . . 787 LYS N . 787 LYS H 50456 1 122 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.611 0.055 . . . 788 ASP N . 788 ASP H 50456 1 123 . 1 1 136 136 ILE N N 15 . 1 1 136 136 ILE H H 1 0.598 0.034 . . . 790 ILE N . 790 ILE H 50456 1 124 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.568 0.069 . . . 791 ASP N . 791 ASP H 50456 1 125 . 1 1 138 138 VAL N N 15 . 1 1 138 138 VAL H H 1 0.944 0.090 . . . 792 VAL N . 792 VAL H 50456 1 126 . 1 1 139 139 ASN N N 15 . 1 1 139 139 ASN H H 1 0.659 0.038 . . . 793 ASN N . 793 ASN H 50456 1 127 . 1 1 140 140 TYR N N 15 . 1 1 140 140 TYR H H 1 0.615 0.054 . . . 794 TYR N . 794 TYR H 50456 1 128 . 1 1 141 141 GLU N N 15 . 1 1 141 141 GLU H H 1 0.896 0.042 . . . 795 GLU N . 795 GLU H 50456 1 129 . 1 1 142 142 LYS N N 15 . 1 1 142 142 LYS H H 1 0.445 0.049 . . . 796 LYS N . 796 LYS H 50456 1 130 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.525 0.055 . . . 797 LEU N . 797 LEU H 50456 1 131 . 1 1 144 144 LYS N N 15 . 1 1 144 144 LYS H H 1 0.536 0.055 . . . 798 LYS N . 798 LYS H 50456 1 132 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 0.799 0.066 . . . 799 THR N . 799 THR H 50456 1 133 . 1 1 146 146 ASP N N 15 . 1 1 146 146 ASP H H 1 0.730 0.091 . . . 800 ASP N . 800 ASP H 50456 1 134 . 1 1 147 147 ILE N N 15 . 1 1 147 147 ILE H H 1 0.583 0.074 . . . 801 ILE N . 801 ILE H 50456 1 135 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 0.723 0.060 . . . 802 LYS N . 802 LYS H 50456 1 136 . 1 1 149 149 VAL N N 15 . 1 1 149 149 VAL H H 1 0.581 0.045 . . . 803 VAL N . 803 VAL H 50456 1 137 . 1 1 150 150 VAL N N 15 . 1 1 150 150 VAL H H 1 0.426 0.075 . . . 804 VAL N . 804 VAL H 50456 1 138 . 1 1 151 151 ASP N N 15 . 1 1 151 151 ASP H H 1 0.554 0.042 . . . 805 ASP N . 805 ASP H 50456 1 139 . 1 1 152 152 ARG N N 15 . 1 1 152 152 ARG H H 1 0.786 0.055 . . . 806 ARG N . 806 ARG H 50456 1 140 . 1 1 153 153 ASP N N 15 . 1 1 153 153 ASP H H 1 0.584 0.026 . . . 807 ASP N . 807 ASP H 50456 1 141 . 1 1 154 154 SER N N 15 . 1 1 154 154 SER H H 1 0.171 0.024 . . . 808 SER N . 808 SER H 50456 1 142 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.659 0.063 . . . 809 GLU N . 809 GLU H 50456 1 143 . 1 1 156 156 GLU N N 15 . 1 1 156 156 GLU H H 1 0.789 0.092 . . . 810 GLU N . 810 GLU H 50456 1 144 . 1 1 157 157 ALA N N 15 . 1 1 157 157 ALA H H 1 0.827 0.051 . . . 811 ALA N . 811 ALA H 50456 1 145 . 1 1 158 158 GLU N N 15 . 1 1 158 158 GLU H H 1 0.721 0.040 . . . 812 GLU N . 812 GLU H 50456 1 146 . 1 1 159 159 ILE N N 15 . 1 1 159 159 ILE H H 1 0.725 0.075 . . . 813 ILE N . 813 ILE H 50456 1 147 . 1 1 160 160 ILE N N 15 . 1 1 160 160 ILE H H 1 0.840 0.128 . . . 814 ILE N . 814 ILE H 50456 1 148 . 1 1 161 161 ARG N N 15 . 1 1 161 161 ARG H H 1 0.850 0.042 . . . 815 ARG N . 815 ARG H 50456 1 149 . 1 1 162 162 LYS N N 15 . 1 1 162 162 LYS H H 1 0.704 0.036 . . . 816 LYS N . 816 LYS H 50456 1 150 . 1 1 163 163 TYR N N 15 . 1 1 163 163 TYR H H 1 0.423 0.015 . . . 817 TYR N . 817 TYR H 50456 1 151 . 1 1 164 164 VAL N N 15 . 1 1 164 164 VAL H H 1 0.727 0.110 . . . 818 VAL N . 818 VAL H 50456 1 152 . 1 1 165 165 LYS N N 15 . 1 1 165 165 LYS H H 1 0.096 0.089 . . . 819 LYS N . 819 LYS H 50456 1 153 . 1 1 166 166 ASN N N 15 . 1 1 166 166 ASN H H 1 0.598 0.075 . . . 820 ASN N . 820 ASN H 50456 1 154 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 0.697 0.082 . . . 821 THR N . 821 THR H 50456 1 155 . 1 1 168 168 HIS N N 15 . 1 1 168 168 HIS H H 1 0.572 0.093 . . . 822 HIS N . 822 HIS H 50456 1 156 . 1 1 174 174 ALA N N 15 . 1 1 174 174 ALA H H 1 0.474 0.041 . . . 828 ALA N . 828 ALA H 50456 1 157 . 1 1 175 175 TYR N N 15 . 1 1 175 175 TYR H H 1 0.825 0.039 . . . 829 TYR N . 829 TYR H 50456 1 158 . 1 1 176 176 ASP N N 15 . 1 1 176 176 ASP H H 1 0.715 0.105 . . . 830 ASP N . 830 ASP H 50456 1 159 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.831 0.081 . . . 832 GLU N . 832 GLU H 50456 1 160 . 1 1 179 179 VAL N N 15 . 1 1 179 179 VAL H H 1 0.548 0.052 . . . 833 VAL N . 833 VAL H 50456 1 161 . 1 1 180 180 ILE N N 15 . 1 1 180 180 ILE H H 1 0.460 0.076 . . . 834 ILE N . 834 ILE H 50456 1 162 . 1 1 181 181 ASP N N 15 . 1 1 181 181 ASP H H 1 0.402 0.051 . . . 835 ASP N . 835 ASP H 50456 1 163 . 1 1 182 182 ILE N N 15 . 1 1 182 182 ILE H H 1 0.560 0.032 . . . 836 ILE N . 836 ILE H 50456 1 164 . 1 1 183 183 PHE N N 15 . 1 1 183 183 PHE H H 1 0.903 0.117 . . . 837 PHE N . 837 PHE H 50456 1 165 . 1 1 184 184 LYS N N 15 . 1 1 184 184 LYS H H 1 0.644 0.067 . . . 838 LYS N . 838 LYS H 50456 1 166 . 1 1 185 185 ILE N N 15 . 1 1 185 185 ILE H H 1 0.503 0.109 . . . 839 ILE N . 839 ILE H 50456 1 167 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.889 0.093 . . . 842 GLU N . 842 GLU H 50456 1 168 . 1 1 189 189 GLY N N 15 . 1 1 189 189 GLY H H 1 0.854 0.182 . . . 843 GLY N . 843 GLY H 50456 1 169 . 1 1 191 191 CYS N N 15 . 1 1 191 191 CYS H H 1 0.371 0.125 . . . 845 CYS N . 845 CYS H 50456 1 170 . 1 1 194 194 TYR N N 15 . 1 1 194 194 TYR H H 1 0.717 0.090 . . . 848 TYR N . 848 TYR H 50456 1 171 . 1 1 197 197 PHE N N 15 . 1 1 197 197 PHE H H 1 0.587 0.110 . . . 851 PHE N . 851 PHE H 50456 1 172 . 1 1 198 198 LYS N N 15 . 1 1 198 198 LYS H H 1 0.653 0.096 . . . 852 LYS N . 852 LYS H 50456 1 173 . 1 1 199 199 GLN N N 15 . 1 1 199 199 GLN H H 1 0.394 0.096 . . . 853 GLN N . 853 GLN H 50456 1 174 . 1 1 200 200 LEU N N 15 . 1 1 200 200 LEU H H 1 0.692 0.068 . . . 854 LEU N . 854 LEU H 50456 1 175 . 1 1 201 201 HIS N N 15 . 1 1 201 201 HIS H H 1 0.788 0.041 . . . 855 HIS N . 855 HIS H 50456 1 176 . 1 1 202 202 ASN N N 15 . 1 1 202 202 ASN H H 1 0.606 0.062 . . . 856 ASN N . 856 ASN H 50456 1 177 . 1 1 203 203 ARG N N 15 . 1 1 203 203 ARG H H 1 0.887 0.087 . . . 857 ARG N . 857 ARG H 50456 1 178 . 1 1 204 204 ARG N N 15 . 1 1 204 204 ARG H H 1 0.923 0.058 . . . 858 ARG N . 858 ARG H 50456 1 179 . 1 1 205 205 LEU N N 15 . 1 1 205 205 LEU H H 1 0.805 0.121 . . . 859 LEU N . 859 LEU H 50456 1 180 . 1 1 206 206 LEU N N 15 . 1 1 206 206 LEU H H 1 0.552 0.100 . . . 860 LEU N . 860 LEU H 50456 1 181 . 1 1 207 207 TRP N N 15 . 1 1 207 207 TRP H H 1 0.973 0.076 . . . 861 TRP N . 861 TRP H 50456 1 182 . 1 1 208 208 HIS N N 15 . 1 1 208 208 HIS H H 1 0.762 0.075 . . . 862 HIS N . 862 HIS H 50456 1 183 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.668 0.060 . . . 864 SER N . 864 SER H 50456 1 184 . 1 1 211 211 ARG N N 15 . 1 1 211 211 ARG H H 1 0.479 0.073 . . . 865 ARG N . 865 ARG H 50456 1 185 . 1 1 212 212 THR N N 15 . 1 1 212 212 THR H H 1 0.894 0.089 . . . 866 THR N . 866 THR H 50456 1 186 . 1 1 213 213 THR N N 15 . 1 1 213 213 THR H H 1 0.624 0.050 . . . 867 THR N . 867 THR H 50456 1 187 . 1 1 214 214 ASN N N 15 . 1 1 214 214 ASN H H 1 0.666 0.023 . . . 868 ASN N . 868 ASN H 50456 1 188 . 1 1 215 215 PHE N N 15 . 1 1 215 215 PHE H H 1 0.769 0.036 . . . 869 PHE N . 869 PHE H 50456 1 189 . 1 1 216 216 ALA N N 15 . 1 1 216 216 ALA H H 1 1.122 0.131 . . . 870 ALA N . 870 ALA H 50456 1 190 . 1 1 217 217 GLY N N 15 . 1 1 217 217 GLY H H 1 0.575 0.075 . . . 871 GLY N . 871 GLY H 50456 1 191 . 1 1 218 218 ILE N N 15 . 1 1 218 218 ILE H H 1 0.632 0.096 . . . 872 ILE N . 872 ILE H 50456 1 192 . 1 1 219 219 LEU N N 15 . 1 1 219 219 LEU H H 1 1.163 0.152 . . . 873 LEU N . 873 LEU H 50456 1 193 . 1 1 220 220 SER N N 15 . 1 1 220 220 SER H H 1 0.449 0.069 . . . 874 SER N . 874 SER H 50456 1 194 . 1 1 221 221 GLN N N 15 . 1 1 221 221 GLN H H 1 0.971 0.049 . . . 875 GLN N . 875 GLN H 50456 1 195 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.822 0.110 . . . 876 GLY N . 876 GLY H 50456 1 196 . 1 1 223 223 LEU N N 15 . 1 1 223 223 LEU H H 1 0.669 0.098 . . . 877 LEU N . 877 LEU H 50456 1 197 . 1 1 224 224 ARG N N 15 . 1 1 224 224 ARG H H 1 0.135 0.122 . . . 878 ARG N . 878 ARG H 50456 1 198 . 1 1 225 225 ILE N N 15 . 1 1 225 225 ILE H H 1 0.678 0.122 . . . 879 ILE N . 879 ILE H 50456 1 199 . 1 1 226 226 ALA N N 15 . 1 1 226 226 ALA H H 1 0.501 0.086 . . . 880 ALA N . 880 ALA H 50456 1 200 . 1 1 229 229 GLU N N 15 . 1 1 229 229 GLU H H 1 0.652 0.052 . . . 883 GLU N . 883 GLU H 50456 1 201 . 1 1 230 230 ALA N N 15 . 1 1 230 230 ALA H H 1 0.784 0.108 . . . 884 ALA N . 884 ALA H 50456 1 202 . 1 1 233 233 THR N N 15 . 1 1 233 233 THR H H 1 0.593 0.074 . . . 887 THR N . 887 THR H 50456 1 203 . 1 1 234 234 GLY N N 15 . 1 1 234 234 GLY H H 1 0.499 0.042 . . . 888 GLY N . 888 GLY H 50456 1 204 . 1 1 235 235 TYR N N 15 . 1 1 235 235 TYR H H 1 0.658 0.040 . . . 889 TYR N . 889 TYR H 50456 1 205 . 1 1 237 237 PHE N N 15 . 1 1 237 237 PHE H H 1 0.729 0.101 . . . 891 PHE N . 891 PHE H 50456 1 206 . 1 1 238 238 GLY N N 15 . 1 1 238 238 GLY H H 1 0.724 0.089 . . . 892 GLY N . 892 GLY H 50456 1 207 . 1 1 239 239 LYS N N 15 . 1 1 239 239 LYS H H 1 0.699 0.080 . . . 893 LYS N . 893 LYS H 50456 1 208 . 1 1 241 241 ILE N N 15 . 1 1 241 241 ILE H H 1 0.973 0.083 . . . 895 ILE N . 895 ILE H 50456 1 209 . 1 1 242 242 TYR N N 15 . 1 1 242 242 TYR H H 1 0.334 0.159 . . . 896 TYR N . 896 TYR H 50456 1 210 . 1 1 243 243 PHE N N 15 . 1 1 243 243 PHE H H 1 0.622 0.137 . . . 897 PHE N . 897 PHE H 50456 1 211 . 1 1 245 245 ASP N N 15 . 1 1 245 245 ASP H H 1 0.406 0.124 . . . 899 ASP N . 899 ASP H 50456 1 212 . 1 1 246 246 MET N N 15 . 1 1 246 246 MET H H 1 0.447 0.084 . . . 900 MET N . 900 MET H 50456 1 213 . 1 1 247 247 VAL N N 15 . 1 1 247 247 VAL H H 1 0.706 0.062 . . . 901 VAL N . 901 VAL H 50456 1 214 . 1 1 248 248 SER N N 15 . 1 1 248 248 SER H H 1 0.825 0.099 . . . 902 SER N . 902 SER H 50456 1 215 . 1 1 249 249 LYS N N 15 . 1 1 249 249 LYS H H 1 0.819 0.106 . . . 903 LYS N . 903 LYS H 50456 1 216 . 1 1 250 250 SER N N 15 . 1 1 250 250 SER H H 1 0.869 0.112 . . . 904 SER N . 904 SER H 50456 1 217 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.659 0.063 . . . 905 ALA N . 905 ALA H 50456 1 218 . 1 1 252 252 ASN N N 15 . 1 1 252 252 ASN H H 1 0.498 0.041 . . . 906 ASN N . 906 ASN H 50456 1 219 . 1 1 253 253 TYR N N 15 . 1 1 253 253 TYR H H 1 0.898 0.080 . . . 907 TYR N . 907 TYR H 50456 1 220 . 1 1 254 254 CYS N N 15 . 1 1 254 254 CYS H H 1 0.802 0.048 . . . 908 CYS N . 908 CYS H 50456 1 221 . 1 1 255 255 HIS N N 15 . 1 1 255 255 HIS H H 1 0.598 0.048 . . . 909 HIS N . 909 HIS H 50456 1 222 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 0.663 0.034 . . . 910 THR N . 910 THR H 50456 1 223 . 1 1 257 257 SER N N 15 . 1 1 257 257 SER H H 1 0.546 0.053 . . . 911 SER N . 911 SER H 50456 1 224 . 1 1 258 258 GLN N N 15 . 1 1 258 258 GLN H H 1 0.794 0.042 . . . 912 GLN N . 912 GLN H 50456 1 225 . 1 1 259 259 GLY N N 15 . 1 1 259 259 GLY H H 1 0.524 0.064 . . . 913 GLY N . 913 GLY H 50456 1 226 . 1 1 260 260 ASP N N 15 . 1 1 260 260 ASP H H 1 0.544 0.024 . . . 914 ASP N . 914 ASP H 50456 1 227 . 1 1 262 262 ILE N N 15 . 1 1 262 262 ILE H H 1 0.571 0.026 . . . 916 ILE N . 916 ILE H 50456 1 228 . 1 1 263 263 GLY N N 15 . 1 1 263 263 GLY H H 1 0.477 0.059 . . . 917 GLY N . 917 GLY H 50456 1 229 . 1 1 265 265 ILE N N 15 . 1 1 265 265 ILE H H 1 0.338 0.009 . . . 919 ILE N . 919 ILE H 50456 1 230 . 1 1 267 267 LEU N N 15 . 1 1 267 267 LEU H H 1 0.637 0.036 . . . 921 LEU N . 921 LEU H 50456 1 231 . 1 1 268 268 GLY N N 15 . 1 1 268 268 GLY H H 1 0.668 0.079 . . . 922 GLY N . 922 GLY H 50456 1 232 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.705 0.080 . . . 923 GLU N . 923 GLU H 50456 1 233 . 1 1 270 270 VAL N N 15 . 1 1 270 270 VAL H H 1 0.878 0.136 . . . 924 VAL N . 924 VAL H 50456 1 234 . 1 1 271 271 ALA N N 15 . 1 1 271 271 ALA H H 1 0.798 0.123 . . . 925 ALA N . 925 ALA H 50456 1 235 . 1 1 272 272 LEU N N 15 . 1 1 272 272 LEU H H 1 0.583 0.064 . . . 926 LEU N . 926 LEU H 50456 1 236 . 1 1 273 273 GLY N N 15 . 1 1 273 273 GLY H H 1 0.996 0.131 . . . 927 GLY N . 927 GLY H 50456 1 237 . 1 1 274 274 ASN N N 15 . 1 1 274 274 ASN H H 1 0.978 0.139 . . . 928 ASN N . 928 ASN H 50456 1 238 . 1 1 275 275 MET N N 15 . 1 1 275 275 MET H H 1 0.691 0.076 . . . 929 MET N . 929 MET H 50456 1 239 . 1 1 276 276 TYR N N 15 . 1 1 276 276 TYR H H 1 0.647 0.121 . . . 930 TYR N . 930 TYR H 50456 1 240 . 1 1 277 277 GLU N N 15 . 1 1 277 277 GLU H H 1 0.613 0.067 . . . 931 GLU N . 931 GLU H 50456 1 241 . 1 1 279 279 LYS N N 15 . 1 1 279 279 LYS H H 1 0.645 0.086 . . . 933 LYS N . 933 LYS H 50456 1 242 . 1 1 280 280 HIS N N 15 . 1 1 280 280 HIS H H 1 0.553 0.031 . . . 934 HIS N . 934 HIS H 50456 1 243 . 1 1 281 281 ALA N N 15 . 1 1 281 281 ALA H H 1 0.746 0.061 . . . 935 ALA N . 935 ALA H 50456 1 244 . 1 1 282 282 SER N N 15 . 1 1 282 282 SER H H 1 0.400 0.040 . . . 936 SER N . 936 SER H 50456 1 245 . 1 1 284 284 ILE N N 15 . 1 1 284 284 ILE H H 1 0.492 0.054 . . . 938 ILE N . 938 ILE H 50456 1 246 . 1 1 285 285 SER N N 15 . 1 1 285 285 SER H H 1 0.133 0.103 . . . 939 SER N . 939 SER H 50456 1 247 . 1 1 286 286 LYS N N 15 . 1 1 286 286 LYS H H 1 0.100 0.043 . . . 940 LYS N . 940 LYS H 50456 1 248 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.344 0.029 . . . 941 LEU N . 941 LEU H 50456 1 249 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 0.849 0.044 . . . 943 LYS N . 943 LYS H 50456 1 250 . 1 1 290 290 GLY N N 15 . 1 1 290 290 GLY H H 1 0.250 0.082 . . . 944 GLY N . 944 GLY H 50456 1 251 . 1 1 291 291 LYS N N 15 . 1 1 291 291 LYS H H 1 0.667 0.031 . . . 945 LYS N . 945 LYS H 50456 1 252 . 1 1 292 292 HIS N N 15 . 1 1 292 292 HIS H H 1 0.557 0.104 . . . 946 HIS N . 946 HIS H 50456 1 253 . 1 1 293 293 SER N N 15 . 1 1 293 293 SER H H 1 0.676 0.070 . . . 947 SER N . 947 SER H 50456 1 254 . 1 1 294 294 VAL N N 15 . 1 1 294 294 VAL H H 1 0.552 0.091 . . . 948 VAL N . 948 VAL H 50456 1 255 . 1 1 295 295 LYS N N 15 . 1 1 295 295 LYS H H 1 0.565 0.061 . . . 949 LYS N . 949 LYS H 50456 1 256 . 1 1 296 296 GLY N N 15 . 1 1 296 296 GLY H H 1 1.098 0.144 . . . 950 GLY N . 950 GLY H 50456 1 257 . 1 1 297 297 LEU N N 15 . 1 1 297 297 LEU H H 1 0.620 0.046 . . . 951 LEU N . 951 LEU H 50456 1 258 . 1 1 298 298 GLY N N 15 . 1 1 298 298 GLY H H 1 0.380 0.062 . . . 952 GLY N . 952 GLY H 50456 1 259 . 1 1 299 299 LYS N N 15 . 1 1 299 299 LYS H H 1 0.678 0.052 . . . 953 LYS N . 953 LYS H 50456 1 260 . 1 1 300 300 THR N N 15 . 1 1 300 300 THR H H 1 0.880 0.044 . . . 954 THR N . 954 THR H 50456 1 261 . 1 1 301 301 THR N N 15 . 1 1 301 301 THR H H 1 0.744 0.064 . . . 955 THR N . 955 THR H 50456 1 262 . 1 1 303 303 ASP N N 15 . 1 1 303 303 ASP H H 1 0.600 0.085 . . . 957 ASP N . 957 ASP H 50456 1 263 . 1 1 306 306 ALA N N 15 . 1 1 306 306 ALA H H 1 0.670 0.048 . . . 960 ALA N . 960 ALA H 50456 1 264 . 1 1 307 307 ASN N N 15 . 1 1 307 307 ASN H H 1 0.569 0.023 . . . 961 ASN N . 961 ASN H 50456 1 265 . 1 1 308 308 ILE N N 15 . 1 1 308 308 ILE H H 1 0.922 0.041 . . . 962 ILE N . 962 ILE H 50456 1 266 . 1 1 309 309 SER N N 15 . 1 1 309 309 SER H H 1 0.480 0.015 . . . 963 SER N . 963 SER H 50456 1 267 . 1 1 310 310 LEU N N 15 . 1 1 310 310 LEU H H 1 0.659 0.067 . . . 964 LEU N . 964 LEU H 50456 1 268 . 1 1 311 311 ASP N N 15 . 1 1 311 311 ASP H H 1 0.680 0.050 . . . 965 ASP N . 965 ASP H 50456 1 269 . 1 1 312 312 GLY N N 15 . 1 1 312 312 GLY H H 1 0.689 0.051 . . . 966 GLY N . 966 GLY H 50456 1 270 . 1 1 313 313 VAL N N 15 . 1 1 313 313 VAL H H 1 0.477 0.029 . . . 967 VAL N . 967 VAL H 50456 1 271 . 1 1 314 314 ASP N N 15 . 1 1 314 314 ASP H H 1 1.072 0.129 . . . 968 ASP N . 968 ASP H 50456 1 272 . 1 1 315 315 VAL N N 15 . 1 1 315 315 VAL H H 1 0.735 0.083 . . . 969 VAL N . 969 VAL H 50456 1 273 . 1 1 318 318 GLY N N 15 . 1 1 318 318 GLY H H 1 0.482 0.051 . . . 972 GLY N . 972 GLY H 50456 1 274 . 1 1 319 319 THR N N 15 . 1 1 319 319 THR H H 1 0.654 0.053 . . . 973 THR N . 973 THR H 50456 1 275 . 1 1 320 320 GLY N N 15 . 1 1 320 320 GLY H H 1 0.637 0.050 . . . 974 GLY N . 974 GLY H 50456 1 276 . 1 1 321 321 ILE N N 15 . 1 1 321 321 ILE H H 1 0.672 0.063 . . . 975 ILE N . 975 ILE H 50456 1 277 . 1 1 322 322 SER N N 15 . 1 1 322 322 SER H H 1 0.819 0.032 . . . 976 SER N . 976 SER H 50456 1 278 . 1 1 323 323 SER N N 15 . 1 1 323 323 SER H H 1 0.795 0.034 . . . 977 SER N . 977 SER H 50456 1 279 . 1 1 324 324 GLY N N 15 . 1 1 324 324 GLY H H 1 0.775 0.050 . . . 978 GLY N . 978 GLY H 50456 1 280 . 1 1 325 325 VAL N N 15 . 1 1 325 325 VAL H H 1 0.557 0.033 . . . 979 VAL N . 979 VAL H 50456 1 281 . 1 1 326 326 ASN N N 15 . 1 1 326 326 ASN H H 1 0.341 0.058 . . . 980 ASN N . 980 ASN H 50456 1 282 . 1 1 327 327 ASP N N 15 . 1 1 327 327 ASP H H 1 0.766 0.065 . . . 981 ASP N . 981 ASP H 50456 1 283 . 1 1 328 328 THR N N 15 . 1 1 328 328 THR H H 1 0.415 0.023 . . . 982 THR N . 982 THR H 50456 1 284 . 1 1 329 329 SER N N 15 . 1 1 329 329 SER H H 1 0.598 0.046 . . . 983 SER N . 983 SER H 50456 1 285 . 1 1 330 330 LEU N N 15 . 1 1 330 330 LEU H H 1 0.726 0.060 . . . 984 LEU N . 984 LEU H 50456 1 286 . 1 1 331 331 LEU N N 15 . 1 1 331 331 LEU H H 1 0.959 0.128 . . . 985 LEU N . 985 LEU H 50456 1 287 . 1 1 332 332 TYR N N 15 . 1 1 332 332 TYR H H 1 0.635 0.060 . . . 986 TYR N . 986 TYR H 50456 1 288 . 1 1 333 333 ASN N N 15 . 1 1 333 333 ASN H H 1 0.368 0.156 . . . 987 ASN N . 987 ASN H 50456 1 289 . 1 1 334 334 GLU N N 15 . 1 1 334 334 GLU H H 1 0.590 0.053 . . . 988 GLU N . 988 GLU H 50456 1 290 . 1 1 336 336 ILE N N 15 . 1 1 336 336 ILE H H 1 0.986 0.083 . . . 990 ILE N . 990 ILE H 50456 1 291 . 1 1 339 339 ASP N N 15 . 1 1 339 339 ASP H H 1 0.689 0.046 . . . 993 ASP N . 993 ASP H 50456 1 292 . 1 1 340 340 ILE N N 15 . 1 1 340 340 ILE H H 1 0.771 0.046 . . . 994 ILE N . 994 ILE H 50456 1 293 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.574 0.080 . . . 995 ALA N . 995 ALA H 50456 1 294 . 1 1 343 343 VAL N N 15 . 1 1 343 343 VAL H H 1 0.737 0.058 . . . 997 VAL N . 997 VAL H 50456 1 295 . 1 1 345 345 LEU N N 15 . 1 1 345 345 LEU H H 1 0.699 0.169 . . . 999 LEU N . 999 LEU H 50456 1 296 . 1 1 346 346 LYS N N 15 . 1 1 346 346 LYS H H 1 0.641 0.048 . . . 1000 LYS N . 1000 LYS H 50456 1 297 . 1 1 347 347 TYR N N 15 . 1 1 347 347 TYR H H 1 0.634 0.076 . . . 1001 TYR N . 1001 TYR H 50456 1 298 . 1 1 348 348 LEU N N 15 . 1 1 348 348 LEU H H 1 0.688 0.067 . . . 1002 LEU N . 1002 LEU H 50456 1 299 . 1 1 349 349 LEU N N 15 . 1 1 349 349 LEU H H 1 0.781 0.060 . . . 1003 LEU N . 1003 LEU H 50456 1 300 . 1 1 350 350 LYS N N 15 . 1 1 350 350 LYS H H 1 0.931 0.100 . . . 1004 LYS N . 1004 LYS H 50456 1 301 . 1 1 351 351 LEU N N 15 . 1 1 351 351 LEU H H 1 0.638 0.055 . . . 1005 LEU N . 1005 LEU H 50456 1 302 . 1 1 352 352 LYS N N 15 . 1 1 352 352 LYS H H 1 0.673 0.079 . . . 1006 LYS N . 1006 LYS H 50456 1 303 . 1 1 353 353 PHE N N 15 . 1 1 353 353 PHE H H 1 0.827 0.154 . . . 1007 PHE N . 1007 PHE H 50456 1 304 . 1 1 354 354 ASN N N 15 . 1 1 354 354 ASN H H 1 0.919 0.057 . . . 1008 ASN N . 1008 ASN H 50456 1 305 . 1 1 355 355 PHE N N 15 . 1 1 355 355 PHE H H 1 0.543 0.037 . . . 1009 PHE N . 1009 PHE H 50456 1 306 . 1 1 356 356 LYS N N 15 . 1 1 356 356 LYS H H 1 0.398 0.039 . . . 1010 LYS N . 1010 LYS H 50456 1 307 . 1 1 357 357 THR N N 15 . 1 1 357 357 THR H H 1 0.170 0.009 . . . 1011 THR N . 1011 THR H 50456 1 308 . 1 1 359 359 LEU N N 15 . 1 1 359 359 LEU H H 1 -0.043 0.003 . . . 1013 LEU N . 1013 LEU H 50456 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 50456 _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 . 50456 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 1118 19 . . 657 VAL N 50456 1 2 . 1 1 4 4 ASN N N 15 1057 35 . . 658 ASN N 50456 1 3 . 1 1 6 6 GLY N N 15 880 20 . . 660 GLY N 50456 1 4 . 1 1 7 7 THR N N 15 983 11 . . 661 THR N 50456 1 5 . 1 1 8 8 LYS N N 15 1367 50 . . 662 LYS N 50456 1 6 . 1 1 9 9 SER N N 15 1530 49 . . 663 SER N 50456 1 7 . 1 1 10 10 LYS N N 15 1481 76 . . 664 LYS N 50456 1 8 . 1 1 11 11 LEU N N 15 1041 19 . . 665 LEU N 50456 1 9 . 1 1 13 13 LYS N N 15 3013 789 . . 667 LYS N 50456 1 10 . 1 1 15 15 VAL N N 15 3405 450 . . 669 VAL N 50456 1 11 . 1 1 16 16 GLN N N 15 2813 100 . . 670 GLN N 50456 1 12 . 1 1 17 17 ASP N N 15 2618 122 . . 671 ASP N 50456 1 13 . 1 1 18 18 LEU N N 15 2652 92 . . 672 LEU N 50456 1 14 . 1 1 19 19 ILE N N 15 2693 239 . . 673 ILE N 50456 1 15 . 1 1 20 20 LYS N N 15 3059 175 . . 674 LYS N 50456 1 16 . 1 1 21 21 MET N N 15 2930 106 . . 675 MET N 50456 1 17 . 1 1 22 22 ILE N N 15 2907 447 . . 676 ILE N 50456 1 18 . 1 1 23 23 PHE N N 15 2645 214 . . 677 PHE N 50456 1 19 . 1 1 24 24 ASP N N 15 2798 141 . . 678 ASP N 50456 1 20 . 1 1 25 25 VAL N N 15 2601 202 . . 679 VAL N 50456 1 21 . 1 1 26 26 GLU N N 15 2777 100 . . 680 GLU N 50456 1 22 . 1 1 27 27 SER N N 15 2932 194 . . 681 SER N 50456 1 23 . 1 1 28 28 MET N N 15 2726 304 . . 682 MET N 50456 1 24 . 1 1 29 29 LYS N N 15 2608 63 . . 683 LYS N 50456 1 25 . 1 1 30 30 LYS N N 15 2620 479 . . 684 LYS N 50456 1 26 . 1 1 31 31 ALA N N 15 2770 54 . . 685 ALA N 50456 1 27 . 1 1 32 32 MET N N 15 2514 118 . . 686 MET N 50456 1 28 . 1 1 33 33 VAL N N 15 2789 100 . . 687 VAL N 50456 1 29 . 1 1 34 34 GLU N N 15 2823 130 . . 688 GLU N 50456 1 30 . 1 1 35 35 TYR N N 15 2581 113 . . 689 TYR N 50456 1 31 . 1 1 36 36 GLU N N 15 2807 90 . . 690 GLU N 50456 1 32 . 1 1 37 37 ILE N N 15 2358 33 . . 691 ILE N 50456 1 33 . 1 1 38 38 ASP N N 15 2457 128 . . 692 ASP N 50456 1 34 . 1 1 39 39 LEU N N 15 2928 271 . . 693 LEU N 50456 1 35 . 1 1 40 40 GLN N N 15 2713 106 . . 694 GLN N 50456 1 36 . 1 1 41 41 LYS N N 15 3183 193 . . 695 LYS N 50456 1 37 . 1 1 42 42 MET N N 15 2434 135 . . 696 MET N 50456 1 38 . 1 1 44 44 LEU N N 15 2333 164 . . 698 LEU N 50456 1 39 . 1 1 46 46 LYS N N 15 2484 102 . . 700 LYS N 50456 1 40 . 1 1 47 47 LEU N N 15 1865 161 . . 701 LEU N 50456 1 41 . 1 1 48 48 SER N N 15 2504 151 . . 702 SER N 50456 1 42 . 1 1 49 49 LYS N N 15 2072 111 . . 703 LYS N 50456 1 43 . 1 1 50 50 ARG N N 15 2202 158 . . 704 ARG N 50456 1 44 . 1 1 51 51 GLN N N 15 2820 70 . . 705 GLN N 50456 1 45 . 1 1 52 52 ILE N N 15 3048 285 . . 706 ILE N 50456 1 46 . 1 1 53 53 GLN N N 15 2965 279 . . 707 GLN N 50456 1 47 . 1 1 54 54 ALA N N 15 3022 168 . . 708 ALA N 50456 1 48 . 1 1 55 55 ALA N N 15 2423 108 . . 709 ALA N 50456 1 49 . 1 1 56 56 TYR N N 15 2566 234 . . 710 TYR N 50456 1 50 . 1 1 57 57 SER N N 15 2769 111 . . 711 SER N 50456 1 51 . 1 1 58 58 ILE N N 15 2901 294 . . 712 ILE N 50456 1 52 . 1 1 59 59 LEU N N 15 2916 79 . . 713 LEU N 50456 1 53 . 1 1 60 60 SER N N 15 2715 166 . . 714 SER N 50456 1 54 . 1 1 61 61 GLU N N 15 2740 268 . . 715 GLU N 50456 1 55 . 1 1 62 62 VAL N N 15 2782 152 . . 716 VAL N 50456 1 56 . 1 1 63 63 GLN N N 15 2642 142 . . 717 GLN N 50456 1 57 . 1 1 64 64 GLN N N 15 2431 95 . . 718 GLN N 50456 1 58 . 1 1 65 65 ALA N N 15 2520 125 . . 719 ALA N 50456 1 59 . 1 1 66 66 VAL N N 15 2739 199 . . 720 VAL N 50456 1 60 . 1 1 67 67 SER N N 15 2544 90 . . 721 SER N 50456 1 61 . 1 1 68 68 GLN N N 15 2644 52 . . 722 GLN N 50456 1 62 . 1 1 69 69 GLY N N 15 2020 60 . . 723 GLY N 50456 1 63 . 1 1 70 70 SER N N 15 1257 26 . . 724 SER N 50456 1 64 . 1 1 71 71 SER N N 15 1442 65 . . 725 SER N 50456 1 65 . 1 1 72 72 ASP N N 15 2221 189 . . 726 ASP N 50456 1 66 . 1 1 73 73 SER N N 15 2443 48 . . 727 SER N 50456 1 67 . 1 1 74 74 GLN N N 15 2460 185 . . 728 GLN N 50456 1 68 . 1 1 75 75 ILE N N 15 2515 107 . . 729 ILE N 50456 1 69 . 1 1 76 76 LEU N N 15 2330 60 . . 730 LEU N 50456 1 70 . 1 1 77 77 ASP N N 15 2761 114 . . 731 ASP N 50456 1 71 . 1 1 78 78 LEU N N 15 3134 68 . . 732 LEU N 50456 1 72 . 1 1 79 79 SER N N 15 3167 398 . . 733 SER N 50456 1 73 . 1 1 80 80 ASN N N 15 2883 70 . . 734 ASN N 50456 1 74 . 1 1 81 81 ARG N N 15 2358 198 . . 735 ARG N 50456 1 75 . 1 1 82 82 PHE N N 15 2534 140 . . 736 PHE N 50456 1 76 . 1 1 83 83 TYR N N 15 3543 279 . . 737 TYR N 50456 1 77 . 1 1 84 84 THR N N 15 2889 96 . . 738 THR N 50456 1 78 . 1 1 85 85 LEU N N 15 2770 137 . . 739 LEU N 50456 1 79 . 1 1 86 86 ILE N N 15 2806 118 . . 740 ILE N 50456 1 80 . 1 1 88 88 HIS N N 15 2961 126 . . 742 HIS N 50456 1 81 . 1 1 89 89 ASP N N 15 3049 218 . . 743 ASP N 50456 1 82 . 1 1 90 90 PHE N N 15 2275 42 . . 744 PHE N 50456 1 83 . 1 1 91 91 GLY N N 15 1899 32 . . 745 GLY N 50456 1 84 . 1 1 93 93 LYS N N 15 2231 39 . . 747 LYS N 50456 1 85 . 1 1 94 94 LYS N N 15 2002 58 . . 748 LYS N 50456 1 86 . 1 1 97 97 LEU N N 15 2468 115 . . 751 LEU N 50456 1 87 . 1 1 98 98 LEU N N 15 2856 290 . . 752 LEU N 50456 1 88 . 1 1 99 99 ASN N N 15 2281 135 . . 753 ASN N 50456 1 89 . 1 1 100 100 ASN N N 15 2853 130 . . 754 ASN N 50456 1 90 . 1 1 101 101 ALA N N 15 2795 319 . . 755 ALA N 50456 1 91 . 1 1 102 102 ASP N N 15 2367 60 . . 756 ASP N 50456 1 92 . 1 1 103 103 SER N N 15 3069 217 . . 757 SER N 50456 1 93 . 1 1 104 104 VAL N N 15 2553 89 . . 758 VAL N 50456 1 94 . 1 1 105 105 GLN N N 15 2642 100 . . 759 GLN N 50456 1 95 . 1 1 106 106 ALA N N 15 2930 182 . . 760 ALA N 50456 1 96 . 1 1 107 107 LYS N N 15 2415 126 . . 761 LYS N 50456 1 97 . 1 1 108 108 ALA N N 15 2724 263 . . 762 ALA N 50456 1 98 . 1 1 109 109 GLU N N 15 3024 129 . . 763 GLU N 50456 1 99 . 1 1 110 110 MET N N 15 2839 68 . . 764 MET N 50456 1 100 . 1 1 111 111 LEU N N 15 2844 103 . . 765 LEU N 50456 1 101 . 1 1 112 112 ASP N N 15 3242 182 . . 766 ASP N 50456 1 102 . 1 1 113 113 ASN N N 15 2701 288 . . 767 ASN N 50456 1 103 . 1 1 114 114 LEU N N 15 3293 153 . . 768 LEU N 50456 1 104 . 1 1 115 115 LEU N N 15 2658 216 . . 769 LEU N 50456 1 105 . 1 1 116 116 ASP N N 15 2865 203 . . 770 ASP N 50456 1 106 . 1 1 117 117 ILE N N 15 2567 226 . . 771 ILE N 50456 1 107 . 1 1 118 118 GLU N N 15 2489 131 . . 772 GLU N 50456 1 108 . 1 1 119 119 VAL N N 15 2493 189 . . 773 VAL N 50456 1 109 . 1 1 120 120 ALA N N 15 2938 138 . . 774 ALA N 50456 1 110 . 1 1 121 121 TYR N N 15 2475 250 . . 775 TYR N 50456 1 111 . 1 1 122 122 SER N N 15 2857 274 . . 776 SER N 50456 1 112 . 1 1 123 123 LEU N N 15 2019 61 . . 777 LEU N 50456 1 113 . 1 1 124 124 LEU N N 15 2397 181 . . 778 LEU N 50456 1 114 . 1 1 125 125 ARG N N 15 2186 124 . . 779 ARG N 50456 1 115 . 1 1 126 126 GLY N N 15 1147 30 . . 780 GLY N 50456 1 116 . 1 1 127 127 GLY N N 15 1077 32 . . 781 GLY N 50456 1 117 . 1 1 128 128 SER N N 15 1502 23 . . 782 SER N 50456 1 118 . 1 1 129 129 ASP N N 15 1041 34 . . 783 ASP N 50456 1 119 . 1 1 130 130 ASP N N 15 1151 28 . . 784 ASP N 50456 1 120 . 1 1 131 131 SER N N 15 1853 129 . . 785 SER N 50456 1 121 . 1 1 132 132 SER N N 15 1377 48 . . 786 SER N 50456 1 122 . 1 1 133 133 LYS N N 15 1601 27 . . 787 LYS N 50456 1 123 . 1 1 134 134 ASP N N 15 2250 117 . . 788 ASP N 50456 1 124 . 1 1 136 136 ILE N N 15 2918 158 . . 790 ILE N 50456 1 125 . 1 1 137 137 ASP N N 15 2931 170 . . 791 ASP N 50456 1 126 . 1 1 138 138 VAL N N 15 2268 159 . . 792 VAL N 50456 1 127 . 1 1 139 139 ASN N N 15 2821 166 . . 793 ASN N 50456 1 128 . 1 1 140 140 TYR N N 15 2476 158 . . 794 TYR N 50456 1 129 . 1 1 141 141 GLU N N 15 2333 64 . . 795 GLU N 50456 1 130 . 1 1 142 142 LYS N N 15 2633 197 . . 796 LYS N 50456 1 131 . 1 1 143 143 LEU N N 15 2299 162 . . 797 LEU N 50456 1 132 . 1 1 144 144 LYS N N 15 2343 159 . . 798 LYS N 50456 1 133 . 1 1 145 145 THR N N 15 2941 222 . . 799 THR N 50456 1 134 . 1 1 146 146 ASP N N 15 2658 577 . . 800 ASP N 50456 1 135 . 1 1 147 147 ILE N N 15 3154 365 . . 801 ILE N 50456 1 136 . 1 1 148 148 LYS N N 15 3187 288 . . 802 LYS N 50456 1 137 . 1 1 149 149 VAL N N 15 2882 259 . . 803 VAL N 50456 1 138 . 1 1 150 150 VAL N N 15 2718 339 . . 804 VAL N 50456 1 139 . 1 1 151 151 ASP N N 15 2150 117 . . 805 ASP N 50456 1 140 . 1 1 152 152 ARG N N 15 2162 166 . . 806 ARG N 50456 1 141 . 1 1 153 153 ASP N N 15 2539 136 . . 807 ASP N 50456 1 142 . 1 1 154 154 SER N N 15 2394 61 . . 808 SER N 50456 1 143 . 1 1 155 155 GLU N N 15 2433 298 . . 809 GLU N 50456 1 144 . 1 1 156 156 GLU N N 15 2377 322 . . 810 GLU N 50456 1 145 . 1 1 157 157 ALA N N 15 2580 130 . . 811 ALA N 50456 1 146 . 1 1 158 158 GLU N N 15 2755 64 . . 812 GLU N 50456 1 147 . 1 1 159 159 ILE N N 15 3343 196 . . 813 ILE N 50456 1 148 . 1 1 160 160 ILE N N 15 2532 243 . . 814 ILE N 50456 1 149 . 1 1 161 161 ARG N N 15 3156 162 . . 815 ARG N 50456 1 150 . 1 1 162 162 LYS N N 15 2760 209 . . 816 LYS N 50456 1 151 . 1 1 163 163 TYR N N 15 1367 75 . . 817 TYR N 50456 1 152 . 1 1 164 164 VAL N N 15 2731 331 . . 818 VAL N 50456 1 153 . 1 1 165 165 LYS N N 15 2384 290 . . 819 LYS N 50456 1 154 . 1 1 166 166 ASN N N 15 2893 343 . . 820 ASN N 50456 1 155 . 1 1 167 167 THR N N 15 3265 333 . . 821 THR N 50456 1 156 . 1 1 168 168 HIS N N 15 2891 263 . . 822 HIS N 50456 1 157 . 1 1 174 174 ALA N N 15 1614 155 . . 828 ALA N 50456 1 158 . 1 1 175 175 TYR N N 15 2436 86 . . 829 TYR N 50456 1 159 . 1 1 176 176 ASP N N 15 2439 267 . . 830 ASP N 50456 1 160 . 1 1 178 178 GLU N N 15 2845 246 . . 832 GLU N 50456 1 161 . 1 1 179 179 VAL N N 15 3353 323 . . 833 VAL N 50456 1 162 . 1 1 180 180 ILE N N 15 2389 178 . . 834 ILE N 50456 1 163 . 1 1 181 181 ASP N N 15 2817 195 . . 835 ASP N 50456 1 164 . 1 1 182 182 ILE N N 15 1999 105 . . 836 ILE N 50456 1 165 . 1 1 183 183 PHE N N 15 3375 266 . . 837 PHE N 50456 1 166 . 1 1 184 184 LYS N N 15 2634 191 . . 838 LYS N 50456 1 167 . 1 1 185 185 ILE N N 15 3276 527 . . 839 ILE N 50456 1 168 . 1 1 188 188 GLU N N 15 2483 215 . . 842 GLU N 50456 1 169 . 1 1 189 189 GLY N N 15 2282 281 . . 843 GLY N 50456 1 170 . 1 1 190 190 GLU N N 15 2231 188 . . 844 GLU N 50456 1 171 . 1 1 191 191 CYS N N 15 2441 538 . . 845 CYS N 50456 1 172 . 1 1 193 193 ARG N N 15 2009 172 . . 847 ARG N 50456 1 173 . 1 1 194 194 TYR N N 15 2951 180 . . 848 TYR N 50456 1 174 . 1 1 195 195 LYS N N 15 3238 167 . . 849 LYS N 50456 1 175 . 1 1 197 197 PHE N N 15 3695 648 . . 851 PHE N 50456 1 176 . 1 1 198 198 LYS N N 15 2259 242 . . 852 LYS N 50456 1 177 . 1 1 199 199 GLN N N 15 2172 132 . . 853 GLN N 50456 1 178 . 1 1 200 200 LEU N N 15 2017 188 . . 854 LEU N 50456 1 179 . 1 1 201 201 HIS N N 15 2844 100 . . 855 HIS N 50456 1 180 . 1 1 202 202 ASN N N 15 2804 378 . . 856 ASN N 50456 1 181 . 1 1 203 203 ARG N N 15 3096 118 . . 857 ARG N 50456 1 182 . 1 1 204 204 ARG N N 15 2575 88 . . 858 ARG N 50456 1 183 . 1 1 205 205 LEU N N 15 2493 444 . . 859 LEU N 50456 1 184 . 1 1 206 206 LEU N N 15 2540 159 . . 860 LEU N 50456 1 185 . 1 1 207 207 TRP N N 15 3281 114 . . 861 TRP N 50456 1 186 . 1 1 208 208 HIS N N 15 2658 76 . . 862 HIS N 50456 1 187 . 1 1 210 210 SER N N 15 3100 165 . . 864 SER N 50456 1 188 . 1 1 211 211 ARG N N 15 2555 252 . . 865 ARG N 50456 1 189 . 1 1 212 212 THR N N 15 2885 457 . . 866 THR N 50456 1 190 . 1 1 213 213 THR N N 15 2692 83 . . 867 THR N 50456 1 191 . 1 1 214 214 ASN N N 15 2615 119 . . 868 ASN N 50456 1 192 . 1 1 215 215 PHE N N 15 2686 140 . . 869 PHE N 50456 1 193 . 1 1 216 216 ALA N N 15 2034 80 . . 870 ALA N 50456 1 194 . 1 1 217 217 GLY N N 15 2237 452 . . 871 GLY N 50456 1 195 . 1 1 218 218 ILE N N 15 2750 65 . . 872 ILE N 50456 1 196 . 1 1 219 219 LEU N N 15 2310 227 . . 873 LEU N 50456 1 197 . 1 1 220 220 SER N N 15 2210 116 . . 874 SER N 50456 1 198 . 1 1 221 221 GLN N N 15 3086 307 . . 875 GLN N 50456 1 199 . 1 1 222 222 GLY N N 15 2057 232 . . 876 GLY N 50456 1 200 . 1 1 223 223 LEU N N 15 2645 149 . . 877 LEU N 50456 1 201 . 1 1 224 224 ARG N N 15 1475 314 . . 878 ARG N 50456 1 202 . 1 1 225 225 ILE N N 15 2505 319 . . 879 ILE N 50456 1 203 . 1 1 226 226 ALA N N 15 3188 434 . . 880 ALA N 50456 1 204 . 1 1 229 229 GLU N N 15 2644 108 . . 883 GLU N 50456 1 205 . 1 1 230 230 ALA N N 15 2687 117 . . 884 ALA N 50456 1 206 . 1 1 232 232 VAL N N 15 1770 633 . . 886 VAL N 50456 1 207 . 1 1 233 233 THR N N 15 2361 271 . . 887 THR N 50456 1 208 . 1 1 234 234 GLY N N 15 1683 82 . . 888 GLY N 50456 1 209 . 1 1 235 235 TYR N N 15 2667 129 . . 889 TYR N 50456 1 210 . 1 1 237 237 PHE N N 15 3592 216 . . 891 PHE N 50456 1 211 . 1 1 238 238 GLY N N 15 2626 167 . . 892 GLY N 50456 1 212 . 1 1 239 239 LYS N N 15 2828 251 . . 893 LYS N 50456 1 213 . 1 1 240 240 GLY N N 15 2669 143 . . 894 GLY N 50456 1 214 . 1 1 241 241 ILE N N 15 2577 185 . . 895 ILE N 50456 1 215 . 1 1 242 242 TYR N N 15 3510 479 . . 896 TYR N 50456 1 216 . 1 1 243 243 PHE N N 15 2130 315 . . 897 PHE N 50456 1 217 . 1 1 245 245 ASP N N 15 3420 1230 . . 899 ASP N 50456 1 218 . 1 1 246 246 MET N N 15 2148 116 . . 900 MET N 50456 1 219 . 1 1 247 247 VAL N N 15 2666 215 . . 901 VAL N 50456 1 220 . 1 1 248 248 SER N N 15 2444 136 . . 902 SER N 50456 1 221 . 1 1 249 249 LYS N N 15 2598 306 . . 903 LYS N 50456 1 222 . 1 1 250 250 SER N N 15 2570 445 . . 904 SER N 50456 1 223 . 1 1 251 251 ALA N N 15 2433 185 . . 905 ALA N 50456 1 224 . 1 1 252 252 ASN N N 15 2946 168 . . 906 ASN N 50456 1 225 . 1 1 253 253 TYR N N 15 2849 304 . . 907 TYR N 50456 1 226 . 1 1 254 254 CYS N N 15 2531 158 . . 908 CYS N 50456 1 227 . 1 1 255 255 HIS N N 15 2725 121 . . 909 HIS N 50456 1 228 . 1 1 256 256 THR N N 15 2772 219 . . 910 THR N 50456 1 229 . 1 1 257 257 SER N N 15 1683 64 . . 911 SER N 50456 1 230 . 1 1 258 258 GLN N N 15 2970 166 . . 912 GLN N 50456 1 231 . 1 1 259 259 GLY N N 15 2614 210 . . 913 GLY N 50456 1 232 . 1 1 260 260 ASP N N 15 2574 68 . . 914 ASP N 50456 1 233 . 1 1 262 262 ILE N N 15 2383 63 . . 916 ILE N 50456 1 234 . 1 1 263 263 GLY N N 15 2805 125 . . 917 GLY N 50456 1 235 . 1 1 264 264 LEU N N 15 2458 230 . . 918 LEU N 50456 1 236 . 1 1 265 265 ILE N N 15 1583 33 . . 919 ILE N 50456 1 237 . 1 1 267 267 LEU N N 15 3032 163 . . 921 LEU N 50456 1 238 . 1 1 268 268 GLY N N 15 2773 293 . . 922 GLY N 50456 1 239 . 1 1 269 269 GLU N N 15 2566 300 . . 923 GLU N 50456 1 240 . 1 1 270 270 VAL N N 15 2752 198 . . 924 VAL N 50456 1 241 . 1 1 271 271 ALA N N 15 2149 189 . . 925 ALA N 50456 1 242 . 1 1 272 272 LEU N N 15 2403 123 . . 926 LEU N 50456 1 243 . 1 1 273 273 GLY N N 15 2617 334 . . 927 GLY N 50456 1 244 . 1 1 274 274 ASN N N 15 2332 237 . . 928 ASN N 50456 1 245 . 1 1 275 275 MET N N 15 2880 124 . . 929 MET N 50456 1 246 . 1 1 276 276 TYR N N 15 3406 774 . . 930 TYR N 50456 1 247 . 1 1 277 277 GLU N N 15 3296 201 . . 931 GLU N 50456 1 248 . 1 1 278 278 LEU N N 15 2750 222 . . 932 LEU N 50456 1 249 . 1 1 279 279 LYS N N 15 2780 233 . . 933 LYS N 50456 1 250 . 1 1 280 280 HIS N N 15 2694 146 . . 934 HIS N 50456 1 251 . 1 1 281 281 ALA N N 15 2235 342 . . 935 ALA N 50456 1 252 . 1 1 282 282 SER N N 15 2096 137 . . 936 SER N 50456 1 253 . 1 1 284 284 ILE N N 15 2113 62 . . 938 ILE N 50456 1 254 . 1 1 285 285 SER N N 15 1654 166 . . 939 SER N 50456 1 255 . 1 1 286 286 LYS N N 15 2259 116 . . 940 LYS N 50456 1 256 . 1 1 287 287 LEU N N 15 2469 69 . . 941 LEU N 50456 1 257 . 1 1 289 289 LYS N N 15 2701 44 . . 943 LYS N 50456 1 258 . 1 1 290 290 GLY N N 15 2780 145 . . 944 GLY N 50456 1 259 . 1 1 291 291 LYS N N 15 2929 66 . . 945 LYS N 50456 1 260 . 1 1 292 292 HIS N N 15 2243 373 . . 946 HIS N 50456 1 261 . 1 1 293 293 SER N N 15 2617 204 . . 947 SER N 50456 1 262 . 1 1 294 294 VAL N N 15 2090 340 . . 948 VAL N 50456 1 263 . 1 1 295 295 LYS N N 15 2570 330 . . 949 LYS N 50456 1 264 . 1 1 296 296 GLY N N 15 3503 328 . . 950 GLY N 50456 1 265 . 1 1 297 297 LEU N N 15 2345 87 . . 951 LEU N 50456 1 266 . 1 1 298 298 GLY N N 15 3193 307 . . 952 GLY N 50456 1 267 . 1 1 299 299 LYS N N 15 2605 203 . . 953 LYS N 50456 1 268 . 1 1 300 300 THR N N 15 2778 109 . . 954 THR N 50456 1 269 . 1 1 301 301 THR N N 15 2929 312 . . 955 THR N 50456 1 270 . 1 1 303 303 ASP N N 15 2514 207 . . 957 ASP N 50456 1 271 . 1 1 306 306 ALA N N 15 3108 232 . . 960 ALA N 50456 1 272 . 1 1 307 307 ASN N N 15 2456 107 . . 961 ASN N 50456 1 273 . 1 1 308 308 ILE N N 15 2606 134 . . 962 ILE N 50456 1 274 . 1 1 309 309 SER N N 15 1381 25 . . 963 SER N 50456 1 275 . 1 1 310 310 LEU N N 15 2469 243 . . 964 LEU N 50456 1 276 . 1 1 311 311 ASP N N 15 2679 119 . . 965 ASP N 50456 1 277 . 1 1 312 312 GLY N N 15 2300 131 . . 966 GLY N 50456 1 278 . 1 1 313 313 VAL N N 15 2227 70 . . 967 VAL N 50456 1 279 . 1 1 314 314 ASP N N 15 2978 259 . . 968 ASP N 50456 1 280 . 1 1 315 315 VAL N N 15 3150 177 . . 969 VAL N 50456 1 281 . 1 1 317 317 LEU N N 15 2404 69 . . 971 LEU N 50456 1 282 . 1 1 318 318 GLY N N 15 2926 167 . . 972 GLY N 50456 1 283 . 1 1 319 319 THR N N 15 2590 100 . . 973 THR N 50456 1 284 . 1 1 320 320 GLY N N 15 2764 294 . . 974 GLY N 50456 1 285 . 1 1 321 321 ILE N N 15 2249 292 . . 975 ILE N 50456 1 286 . 1 1 322 322 SER N N 15 2503 194 . . 976 SER N 50456 1 287 . 1 1 323 323 SER N N 15 2027 133 . . 977 SER N 50456 1 288 . 1 1 324 324 GLY N N 15 2504 123 . . 978 GLY N 50456 1 289 . 1 1 325 325 VAL N N 15 2932 54 . . 979 VAL N 50456 1 290 . 1 1 326 326 ASN N N 15 2218 251 . . 980 ASN N 50456 1 291 . 1 1 327 327 ASP N N 15 2723 198 . . 981 ASP N 50456 1 292 . 1 1 328 328 THR N N 15 2512 44 . . 982 THR N 50456 1 293 . 1 1 329 329 SER N N 15 2257 162 . . 983 SER N 50456 1 294 . 1 1 330 330 LEU N N 15 1943 124 . . 984 LEU N 50456 1 295 . 1 1 331 331 LEU N N 15 3050 330 . . 985 LEU N 50456 1 296 . 1 1 332 332 TYR N N 15 2857 216 . . 986 TYR N 50456 1 297 . 1 1 333 333 ASN N N 15 2780 367 . . 987 ASN N 50456 1 298 . 1 1 334 334 GLU N N 15 2767 228 . . 988 GLU N 50456 1 299 . 1 1 336 336 ILE N N 15 2834 404 . . 990 ILE N 50456 1 300 . 1 1 337 337 VAL N N 15 1895 144 . . 991 VAL N 50456 1 301 . 1 1 339 339 ASP N N 15 2726 101 . . 993 ASP N 50456 1 302 . 1 1 340 340 ILE N N 15 2619 185 . . 994 ILE N 50456 1 303 . 1 1 341 341 ALA N N 15 2433 152 . . 995 ALA N 50456 1 304 . 1 1 342 342 GLN N N 15 2756 190 . . 996 GLN N 50456 1 305 . 1 1 343 343 VAL N N 15 2635 127 . . 997 VAL N 50456 1 306 . 1 1 344 344 ASN N N 15 1047 42 . . 998 ASN N 50456 1 307 . 1 1 345 345 LEU N N 15 3054 664 . . 999 LEU N 50456 1 308 . 1 1 346 346 LYS N N 15 2598 134 . . 1000 LYS N 50456 1 309 . 1 1 347 347 TYR N N 15 3089 457 . . 1001 TYR N 50456 1 310 . 1 1 348 348 LEU N N 15 3107 184 . . 1002 LEU N 50456 1 311 . 1 1 349 349 LEU N N 15 3275 342 . . 1003 LEU N 50456 1 312 . 1 1 350 350 LYS N N 15 2795 294 . . 1004 LYS N 50456 1 313 . 1 1 351 351 LEU N N 15 3027 575 . . 1005 LEU N 50456 1 314 . 1 1 352 352 LYS N N 15 2680 296 . . 1006 LYS N 50456 1 315 . 1 1 353 353 PHE N N 15 2337 297 . . 1007 PHE N 50456 1 316 . 1 1 354 354 ASN N N 15 2773 111 . . 1008 ASN N 50456 1 317 . 1 1 355 355 PHE N N 15 2682 235 . . 1009 PHE N 50456 1 318 . 1 1 356 356 LYS N N 15 1948 134 . . 1010 LYS N 50456 1 319 . 1 1 357 357 THR N N 15 964 284 . . 1011 THR N 50456 1 320 . 1 1 359 359 LEU N N 15 924 4 . . 1013 LEU N 50456 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 50456 _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 . 50456 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 15 158.52 4.35 . . . . 657 VAL N 50456 1 2 . 1 1 4 4 ASN N N 15 92.41 1.36 . . . . 658 ASN N 50456 1 3 . 1 1 6 6 GLY N N 15 65.68 3.09 . . . . 660 GLY N 50456 1 4 . 1 1 7 7 THR N N 15 65.31 1.74 . . . . 661 THR N 50456 1 5 . 1 1 8 8 LYS N N 15 45.67 3.16 . . . . 662 LYS N 50456 1 6 . 1 1 9 9 SER N N 15 42.98 0.83 . . . . 663 SER N 50456 1 7 . 1 1 10 10 LYS N N 15 35.92 1.43 . . . . 664 LYS N 50456 1 8 . 1 1 11 11 LEU N N 15 85.30 3.32 . . . . 665 LEU N 50456 1 9 . 1 1 13 13 LYS N N 15 15.24 3.38 . . . . 667 LYS N 50456 1 10 . 1 1 15 15 VAL N N 15 25.79 1.42 . . . . 669 VAL N 50456 1 11 . 1 1 16 16 GLN N N 15 17.30 0.92 . . . . 670 GLN N 50456 1 12 . 1 1 17 17 ASP N N 15 25.91 0.57 . . . . 671 ASP N 50456 1 13 . 1 1 18 18 LEU N N 15 26.46 2.00 . . . . 672 LEU N 50456 1 14 . 1 1 19 19 ILE N N 15 23.94 1.40 . . . . 673 ILE N 50456 1 15 . 1 1 20 20 LYS N N 15 23.98 0.98 . . . . 674 LYS N 50456 1 16 . 1 1 21 21 MET N N 15 25.75 0.86 . . . . 675 MET N 50456 1 17 . 1 1 22 22 ILE N N 15 17.84 2.01 . . . . 676 ILE N 50456 1 18 . 1 1 23 23 PHE N N 15 22.65 1.12 . . . . 677 PHE N 50456 1 19 . 1 1 24 24 ASP N N 15 28.89 0.91 . . . . 678 ASP N 50456 1 20 . 1 1 25 25 VAL N N 15 23.99 0.62 . . . . 679 VAL N 50456 1 21 . 1 1 26 26 GLU N N 15 24.33 1.04 . . . . 680 GLU N 50456 1 22 . 1 1 27 27 SER N N 15 26.38 0.98 . . . . 681 SER N 50456 1 23 . 1 1 28 28 MET N N 15 26.32 0.54 . . . . 682 MET N 50456 1 24 . 1 1 29 29 LYS N N 15 21.98 0.93 . . . . 683 LYS N 50456 1 25 . 1 1 30 30 LYS N N 15 22.44 0.72 . . . . 684 LYS N 50456 1 26 . 1 1 31 31 ALA N N 15 22.71 0.50 . . . . 685 ALA N 50456 1 27 . 1 1 32 32 MET N N 15 23.71 1.17 . . . . 686 MET N 50456 1 28 . 1 1 33 33 VAL N N 15 24.59 0.70 . . . . 687 VAL N 50456 1 29 . 1 1 34 34 GLU N N 15 21.45 0.85 . . . . 688 GLU N 50456 1 30 . 1 1 35 35 TYR N N 15 26.24 1.23 . . . . 689 TYR N 50456 1 31 . 1 1 36 36 GLU N N 15 19.91 1.52 . . . . 690 GLU N 50456 1 32 . 1 1 37 37 ILE N N 15 22.93 1.03 . . . . 691 ILE N 50456 1 33 . 1 1 38 38 ASP N N 15 15.90 1.33 . . . . 692 ASP N 50456 1 34 . 1 1 39 39 LEU N N 15 26.82 1.54 . . . . 693 LEU N 50456 1 35 . 1 1 40 40 GLN N N 15 27.78 1.08 . . . . 694 GLN N 50456 1 36 . 1 1 41 41 LYS N N 15 32.46 0.74 . . . . 695 LYS N 50456 1 37 . 1 1 42 42 MET N N 15 27.00 0.48 . . . . 696 MET N 50456 1 38 . 1 1 44 44 LEU N N 15 26.14 0.45 . . . . 698 LEU N 50456 1 39 . 1 1 46 46 LYS N N 15 22.56 1.27 . . . . 700 LYS N 50456 1 40 . 1 1 47 47 LEU N N 15 27.64 1.60 . . . . 701 LEU N 50456 1 41 . 1 1 48 48 SER N N 15 23.68 0.97 . . . . 702 SER N 50456 1 42 . 1 1 49 49 LYS N N 15 24.39 1.23 . . . . 703 LYS N 50456 1 43 . 1 1 50 50 ARG N N 15 22.86 0.92 . . . . 704 ARG N 50456 1 44 . 1 1 51 51 GLN N N 15 24.40 0.39 . . . . 705 GLN N 50456 1 45 . 1 1 52 52 ILE N N 15 27.66 1.60 . . . . 706 ILE N 50456 1 46 . 1 1 53 53 GLN N N 15 24.12 1.36 . . . . 707 GLN N 50456 1 47 . 1 1 54 54 ALA N N 15 26.90 1.92 . . . . 708 ALA N 50456 1 48 . 1 1 55 55 ALA N N 15 22.71 0.86 . . . . 709 ALA N 50456 1 49 . 1 1 56 56 TYR N N 15 25.77 1.25 . . . . 710 TYR N 50456 1 50 . 1 1 57 57 SER N N 15 22.72 0.51 . . . . 711 SER N 50456 1 51 . 1 1 58 58 ILE N N 15 23.50 1.45 . . . . 712 ILE N 50456 1 52 . 1 1 59 59 LEU N N 15 25.10 1.30 . . . . 713 LEU N 50456 1 53 . 1 1 60 60 SER N N 15 21.91 2.19 . . . . 714 SER N 50456 1 54 . 1 1 61 61 GLU N N 15 22.59 0.61 . . . . 715 GLU N 50456 1 55 . 1 1 62 62 VAL N N 15 22.13 1.09 . . . . 716 VAL N 50456 1 56 . 1 1 63 63 GLN N N 15 23.70 2.20 . . . . 717 GLN N 50456 1 57 . 1 1 64 64 GLN N N 15 25.87 1.79 . . . . 718 GLN N 50456 1 58 . 1 1 65 65 ALA N N 15 21.30 0.87 . . . . 719 ALA N 50456 1 59 . 1 1 66 66 VAL N N 15 26.73 0.58 . . . . 720 VAL N 50456 1 60 . 1 1 67 67 SER N N 15 27.60 0.85 . . . . 721 SER N 50456 1 61 . 1 1 68 68 GLN N N 15 25.34 1.02 . . . . 722 GLN N 50456 1 62 . 1 1 69 69 GLY N N 15 30.90 0.59 . . . . 723 GLY N 50456 1 63 . 1 1 70 70 SER N N 15 43.29 0.51 . . . . 724 SER N 50456 1 64 . 1 1 71 71 SER N N 15 45.85 1.60 . . . . 725 SER N 50456 1 65 . 1 1 72 72 ASP N N 15 23.87 1.91 . . . . 726 ASP N 50456 1 66 . 1 1 73 73 SER N N 15 24.91 0.48 . . . . 727 SER N 50456 1 67 . 1 1 74 74 GLN N N 15 27.41 0.94 . . . . 728 GLN N 50456 1 68 . 1 1 75 75 ILE N N 15 25.74 0.61 . . . . 729 ILE N 50456 1 69 . 1 1 76 76 LEU N N 15 25.72 1.47 . . . . 730 LEU N 50456 1 70 . 1 1 77 77 ASP N N 15 25.67 1.47 . . . . 731 ASP N 50456 1 71 . 1 1 78 78 LEU N N 15 25.66 1.32 . . . . 732 LEU N 50456 1 72 . 1 1 79 79 SER N N 15 33.92 1.33 . . . . 733 SER N 50456 1 73 . 1 1 80 80 ASN N N 15 22.73 1.01 . . . . 734 ASN N 50456 1 74 . 1 1 81 81 ARG N N 15 30.34 0.54 . . . . 735 ARG N 50456 1 75 . 1 1 82 82 PHE N N 15 26.34 1.19 . . . . 736 PHE N 50456 1 76 . 1 1 83 83 TYR N N 15 24.07 0.88 . . . . 737 TYR N 50456 1 77 . 1 1 84 84 THR N N 15 27.07 0.74 . . . . 738 THR N 50456 1 78 . 1 1 85 85 LEU N N 15 26.07 0.73 . . . . 739 LEU N 50456 1 79 . 1 1 86 86 ILE N N 15 24.94 0.80 . . . . 740 ILE N 50456 1 80 . 1 1 88 88 HIS N N 15 19.93 1.00 . . . . 742 HIS N 50456 1 81 . 1 1 89 89 ASP N N 15 22.74 0.58 . . . . 743 ASP N 50456 1 82 . 1 1 90 90 PHE N N 15 36.25 0.82 . . . . 744 PHE N 50456 1 83 . 1 1 91 91 GLY N N 15 29.98 0.33 . . . . 745 GLY N 50456 1 84 . 1 1 93 93 LYS N N 15 26.05 0.76 . . . . 747 LYS N 50456 1 85 . 1 1 94 94 LYS N N 15 34.86 0.68 . . . . 748 LYS N 50456 1 86 . 1 1 97 97 LEU N N 15 30.61 1.00 . . . . 751 LEU N 50456 1 87 . 1 1 98 98 LEU N N 15 26.08 3.43 . . . . 752 LEU N 50456 1 88 . 1 1 99 99 ASN N N 15 34.52 1.67 . . . . 753 ASN N 50456 1 89 . 1 1 100 100 ASN N N 15 25.16 1.08 . . . . 754 ASN N 50456 1 90 . 1 1 101 101 ALA N N 15 26.34 2.87 . . . . 755 ALA N 50456 1 91 . 1 1 102 102 ASP N N 15 28.03 1.14 . . . . 756 ASP N 50456 1 92 . 1 1 103 103 SER N N 15 23.32 0.77 . . . . 757 SER N 50456 1 93 . 1 1 104 104 VAL N N 15 22.65 2.05 . . . . 758 VAL N 50456 1 94 . 1 1 105 105 GLN N N 15 27.62 0.86 . . . . 759 GLN N 50456 1 95 . 1 1 106 106 ALA N N 15 24.70 0.52 . . . . 760 ALA N 50456 1 96 . 1 1 107 107 LYS N N 15 27.62 1.51 . . . . 761 LYS N 50456 1 97 . 1 1 108 108 ALA N N 15 20.36 1.86 . . . . 762 ALA N 50456 1 98 . 1 1 109 109 GLU N N 15 26.45 1.60 . . . . 763 GLU N 50456 1 99 . 1 1 110 110 MET N N 15 20.83 0.93 . . . . 764 MET N 50456 1 100 . 1 1 111 111 LEU N N 15 24.09 0.68 . . . . 765 LEU N 50456 1 101 . 1 1 112 112 ASP N N 15 22.81 0.56 . . . . 766 ASP N 50456 1 102 . 1 1 113 113 ASN N N 15 26.64 1.40 . . . . 767 ASN N 50456 1 103 . 1 1 114 114 LEU N N 15 20.88 0.72 . . . . 768 LEU N 50456 1 104 . 1 1 115 115 LEU N N 15 25.87 0.76 . . . . 769 LEU N 50456 1 105 . 1 1 116 116 ASP N N 15 19.62 0.54 . . . . 770 ASP N 50456 1 106 . 1 1 117 117 ILE N N 15 23.39 1.47 . . . . 771 ILE N 50456 1 107 . 1 1 118 118 GLU N N 15 21.12 1.43 . . . . 772 GLU N 50456 1 108 . 1 1 119 119 VAL N N 15 24.47 0.59 . . . . 773 VAL N 50456 1 109 . 1 1 120 120 ALA N N 15 26.60 1.24 . . . . 774 ALA N 50456 1 110 . 1 1 121 121 TYR N N 15 22.28 0.90 . . . . 775 TYR N 50456 1 111 . 1 1 122 122 SER N N 15 24.62 0.85 . . . . 776 SER N 50456 1 112 . 1 1 123 123 LEU N N 15 28.61 1.10 . . . . 777 LEU N 50456 1 113 . 1 1 124 124 LEU N N 15 25.59 0.61 . . . . 778 LEU N 50456 1 114 . 1 1 125 125 ARG N N 15 29.41 0.59 . . . . 779 ARG N 50456 1 115 . 1 1 126 126 GLY N N 15 42.97 0.66 . . . . 780 GLY N 50456 1 116 . 1 1 127 127 GLY N N 15 66.55 1.04 . . . . 781 GLY N 50456 1 117 . 1 1 128 128 SER N N 15 55.03 1.27 . . . . 782 SER N 50456 1 118 . 1 1 129 129 ASP N N 15 85.61 1.35 . . . . 783 ASP N 50456 1 119 . 1 1 130 130 ASP N N 15 59.63 0.42 . . . . 784 ASP N 50456 1 120 . 1 1 131 131 SER N N 15 42.25 1.76 . . . . 785 SER N 50456 1 121 . 1 1 132 132 SER N N 15 39.23 0.64 . . . . 786 SER N 50456 1 122 . 1 1 133 133 LYS N N 15 32.88 0.43 . . . . 787 LYS N 50456 1 123 . 1 1 134 134 ASP N N 15 32.19 1.04 . . . . 788 ASP N 50456 1 124 . 1 1 136 136 ILE N N 15 26.27 0.74 . . . . 790 ILE N 50456 1 125 . 1 1 137 137 ASP N N 15 24.80 1.73 . . . . 791 ASP N 50456 1 126 . 1 1 138 138 VAL N N 15 27.02 1.35 . . . . 792 VAL N 50456 1 127 . 1 1 139 139 ASN N N 15 24.51 0.41 . . . . 793 ASN N 50456 1 128 . 1 1 140 140 TYR N N 15 24.19 1.42 . . . . 794 TYR N 50456 1 129 . 1 1 141 141 GLU N N 15 26.61 0.61 . . . . 795 GLU N 50456 1 130 . 1 1 142 142 LYS N N 15 24.98 0.73 . . . . 796 LYS N 50456 1 131 . 1 1 144 144 LYS N N 15 25.40 1.01 . . . . 798 LYS N 50456 1 132 . 1 1 145 145 THR N N 15 28.59 0.44 . . . . 799 THR N 50456 1 133 . 1 1 146 146 ASP N N 15 26.59 1.37 . . . . 800 ASP N 50456 1 134 . 1 1 147 147 ILE N N 15 32.76 2.32 . . . . 801 ILE N 50456 1 135 . 1 1 148 148 LYS N N 15 24.03 0.37 . . . . 802 LYS N 50456 1 136 . 1 1 149 149 VAL N N 15 26.73 0.59 . . . . 803 VAL N 50456 1 137 . 1 1 150 150 VAL N N 15 27.09 1.33 . . . . 804 VAL N 50456 1 138 . 1 1 151 151 ASP N N 15 28.83 1.80 . . . . 805 ASP N 50456 1 139 . 1 1 152 152 ARG N N 15 25.51 0.96 . . . . 806 ARG N 50456 1 140 . 1 1 153 153 ASP N N 15 26.14 0.49 . . . . 807 ASP N 50456 1 141 . 1 1 154 154 SER N N 15 31.31 0.90 . . . . 808 SER N 50456 1 142 . 1 1 155 155 GLU N N 15 26.52 0.69 . . . . 809 GLU N 50456 1 143 . 1 1 156 156 GLU N N 15 25.88 1.31 . . . . 810 GLU N 50456 1 144 . 1 1 157 157 ALA N N 15 25.51 0.67 . . . . 811 ALA N 50456 1 145 . 1 1 158 158 GLU N N 15 27.01 1.04 . . . . 812 GLU N 50456 1 146 . 1 1 159 159 ILE N N 15 29.15 1.78 . . . . 813 ILE N 50456 1 147 . 1 1 160 160 ILE N N 15 25.26 1.93 . . . . 814 ILE N 50456 1 148 . 1 1 161 161 ARG N N 15 26.15 1.14 . . . . 815 ARG N 50456 1 149 . 1 1 162 162 LYS N N 15 21.72 0.82 . . . . 816 LYS N 50456 1 150 . 1 1 163 163 TYR N N 15 42.62 1.67 . . . . 817 TYR N 50456 1 151 . 1 1 164 164 VAL N N 15 26.04 2.28 . . . . 818 VAL N 50456 1 152 . 1 1 165 165 LYS N N 15 21.06 2.63 . . . . 819 LYS N 50456 1 153 . 1 1 166 166 ASN N N 15 23.61 2.87 . . . . 820 ASN N 50456 1 154 . 1 1 167 167 THR N N 15 19.20 0.25 . . . . 821 THR N 50456 1 155 . 1 1 168 168 HIS N N 15 16.38 1.35 . . . . 822 HIS N 50456 1 156 . 1 1 174 174 ALA N N 15 34.45 1.55 . . . . 828 ALA N 50456 1 157 . 1 1 175 175 TYR N N 15 26.70 1.11 . . . . 829 TYR N 50456 1 158 . 1 1 176 176 ASP N N 15 25.31 1.81 . . . . 830 ASP N 50456 1 159 . 1 1 178 178 GLU N N 15 25.05 0.53 . . . . 832 GLU N 50456 1 160 . 1 1 179 179 VAL N N 15 25.69 0.67 . . . . 833 VAL N 50456 1 161 . 1 1 180 180 ILE N N 15 23.73 2.99 . . . . 834 ILE N 50456 1 162 . 1 1 181 181 ASP N N 15 27.02 1.06 . . . . 835 ASP N 50456 1 163 . 1 1 182 182 ILE N N 15 34.26 0.89 . . . . 836 ILE N 50456 1 164 . 1 1 183 183 PHE N N 15 26.73 2.39 . . . . 837 PHE N 50456 1 165 . 1 1 184 184 LYS N N 15 24.06 1.65 . . . . 838 LYS N 50456 1 166 . 1 1 185 185 ILE N N 15 23.95 3.86 . . . . 839 ILE N 50456 1 167 . 1 1 188 188 GLU N N 15 22.73 1.50 . . . . 842 GLU N 50456 1 168 . 1 1 189 189 GLY N N 15 22.47 0.86 . . . . 843 GLY N 50456 1 169 . 1 1 190 190 GLU N N 15 24.63 2.86 . . . . 844 GLU N 50456 1 170 . 1 1 191 191 CYS N N 15 20.77 4.62 . . . . 845 CYS N 50456 1 171 . 1 1 194 194 TYR N N 15 22.87 3.81 . . . . 848 TYR N 50456 1 172 . 1 1 197 197 PHE N N 15 23.66 1.77 . . . . 851 PHE N 50456 1 173 . 1 1 198 198 LYS N N 15 28.09 1.34 . . . . 852 LYS N 50456 1 174 . 1 1 199 199 GLN N N 15 28.95 1.73 . . . . 853 GLN N 50456 1 175 . 1 1 200 200 LEU N N 15 26.70 1.22 . . . . 854 LEU N 50456 1 176 . 1 1 201 201 HIS N N 15 25.27 0.86 . . . . 855 HIS N 50456 1 177 . 1 1 202 202 ASN N N 15 29.08 1.17 . . . . 856 ASN N 50456 1 178 . 1 1 203 203 ARG N N 15 26.62 0.46 . . . . 857 ARG N 50456 1 179 . 1 1 204 204 ARG N N 15 27.88 0.66 . . . . 858 ARG N 50456 1 180 . 1 1 205 205 LEU N N 15 28.81 2.37 . . . . 859 LEU N 50456 1 181 . 1 1 206 206 LEU N N 15 28.25 1.07 . . . . 860 LEU N 50456 1 182 . 1 1 207 207 TRP N N 15 27.71 1.13 . . . . 861 TRP N 50456 1 183 . 1 1 208 208 HIS N N 15 22.25 1.46 . . . . 862 HIS N 50456 1 184 . 1 1 210 210 SER N N 15 23.85 1.07 . . . . 864 SER N 50456 1 185 . 1 1 211 211 ARG N N 15 25.25 0.95 . . . . 865 ARG N 50456 1 186 . 1 1 212 212 THR N N 15 24.82 1.49 . . . . 866 THR N 50456 1 187 . 1 1 213 213 THR N N 15 24.77 0.41 . . . . 867 THR N 50456 1 188 . 1 1 214 214 ASN N N 15 25.74 0.43 . . . . 868 ASN N 50456 1 189 . 1 1 215 215 PHE N N 15 26.45 1.17 . . . . 869 PHE N 50456 1 190 . 1 1 216 216 ALA N N 15 25.44 2.64 . . . . 870 ALA N 50456 1 191 . 1 1 217 217 GLY N N 15 24.27 1.14 . . . . 871 GLY N 50456 1 192 . 1 1 218 218 ILE N N 15 27.29 0.37 . . . . 872 ILE N 50456 1 193 . 1 1 219 219 LEU N N 15 24.07 1.61 . . . . 873 LEU N 50456 1 194 . 1 1 220 220 SER N N 15 27.28 2.03 . . . . 874 SER N 50456 1 195 . 1 1 221 221 GLN N N 15 25.72 0.70 . . . . 875 GLN N 50456 1 196 . 1 1 222 222 GLY N N 15 25.24 1.87 . . . . 876 GLY N 50456 1 197 . 1 1 223 223 LEU N N 15 23.86 1.27 . . . . 877 LEU N 50456 1 198 . 1 1 224 224 ARG N N 15 25.82 2.00 . . . . 878 ARG N 50456 1 199 . 1 1 225 225 ILE N N 15 32.71 1.14 . . . . 879 ILE N 50456 1 200 . 1 1 226 226 ALA N N 15 23.19 3.38 . . . . 880 ALA N 50456 1 201 . 1 1 229 229 GLU N N 15 24.59 1.07 . . . . 883 GLU N 50456 1 202 . 1 1 230 230 ALA N N 15 23.42 0.83 . . . . 884 ALA N 50456 1 203 . 1 1 233 233 THR N N 15 21.18 0.66 . . . . 887 THR N 50456 1 204 . 1 1 235 235 TYR N N 15 27.76 0.86 . . . . 889 TYR N 50456 1 205 . 1 1 237 237 PHE N N 15 28.97 2.38 . . . . 891 PHE N 50456 1 206 . 1 1 238 238 GLY N N 15 28.58 3.19 . . . . 892 GLY N 50456 1 207 . 1 1 239 239 LYS N N 15 31.21 1.62 . . . . 893 LYS N 50456 1 208 . 1 1 241 241 ILE N N 15 26.81 0.60 . . . . 895 ILE N 50456 1 209 . 1 1 242 242 TYR N N 15 26.41 3.11 . . . . 896 TYR N 50456 1 210 . 1 1 243 243 PHE N N 15 23.02 1.60 . . . . 897 PHE N 50456 1 211 . 1 1 245 245 ASP N N 15 31.35 5.31 . . . . 899 ASP N 50456 1 212 . 1 1 246 246 MET N N 15 21.78 1.32 . . . . 900 MET N 50456 1 213 . 1 1 247 247 VAL N N 15 24.28 1.50 . . . . 901 VAL N 50456 1 214 . 1 1 248 248 SER N N 15 23.52 0.81 . . . . 902 SER N 50456 1 215 . 1 1 249 249 LYS N N 15 23.25 2.40 . . . . 903 LYS N 50456 1 216 . 1 1 250 250 SER N N 15 25.23 2.61 . . . . 904 SER N 50456 1 217 . 1 1 251 251 ALA N N 15 26.52 0.24 . . . . 905 ALA N 50456 1 218 . 1 1 252 252 ASN N N 15 25.07 0.84 . . . . 906 ASN N 50456 1 219 . 1 1 253 253 TYR N N 15 27.70 0.31 . . . . 907 TYR N 50456 1 220 . 1 1 254 254 CYS N N 15 25.76 1.22 . . . . 908 CYS N 50456 1 221 . 1 1 255 255 HIS N N 15 26.25 0.46 . . . . 909 HIS N 50456 1 222 . 1 1 256 256 THR N N 15 25.66 1.18 . . . . 910 THR N 50456 1 223 . 1 1 257 257 SER N N 15 26.68 1.33 . . . . 911 SER N 50456 1 224 . 1 1 258 258 GLN N N 15 23.39 3.29 . . . . 912 GLN N 50456 1 225 . 1 1 259 259 GLY N N 15 26.15 1.05 . . . . 913 GLY N 50456 1 226 . 1 1 260 260 ASP N N 15 29.87 1.26 . . . . 914 ASP N 50456 1 227 . 1 1 262 262 ILE N N 15 25.26 0.66 . . . . 916 ILE N 50456 1 228 . 1 1 263 263 GLY N N 15 24.72 1.62 . . . . 917 GLY N 50456 1 229 . 1 1 264 264 LEU N N 15 26.75 3.82 . . . . 918 LEU N 50456 1 230 . 1 1 267 267 LEU N N 15 26.74 1.52 . . . . 921 LEU N 50456 1 231 . 1 1 268 268 GLY N N 15 26.87 1.68 . . . . 922 GLY N 50456 1 232 . 1 1 269 269 GLU N N 15 26.78 1.65 . . . . 923 GLU N 50456 1 233 . 1 1 270 270 VAL N N 15 27.40 2.96 . . . . 924 VAL N 50456 1 234 . 1 1 271 271 ALA N N 15 32.75 4.90 . . . . 925 ALA N 50456 1 235 . 1 1 272 272 LEU N N 15 30.22 1.80 . . . . 926 LEU N 50456 1 236 . 1 1 273 273 GLY N N 15 26.14 1.94 . . . . 927 GLY N 50456 1 237 . 1 1 274 274 ASN N N 15 26.77 3.68 . . . . 928 ASN N 50456 1 238 . 1 1 275 275 MET N N 15 28.11 1.66 . . . . 929 MET N 50456 1 239 . 1 1 276 276 TYR N N 15 22.86 3.88 . . . . 930 TYR N 50456 1 240 . 1 1 277 277 GLU N N 15 26.80 2.01 . . . . 931 GLU N 50456 1 241 . 1 1 278 278 LEU N N 15 25.38 1.88 . . . . 932 LEU N 50456 1 242 . 1 1 279 279 LYS N N 15 34.84 1.38 . . . . 933 LYS N 50456 1 243 . 1 1 280 280 HIS N N 15 27.78 0.60 . . . . 934 HIS N 50456 1 244 . 1 1 281 281 ALA N N 15 30.25 0.41 . . . . 935 ALA N 50456 1 245 . 1 1 282 282 SER N N 15 44.35 2.71 . . . . 936 SER N 50456 1 246 . 1 1 284 284 ILE N N 15 31.83 2.03 . . . . 938 ILE N 50456 1 247 . 1 1 285 285 SER N N 15 27.86 1.45 . . . . 939 SER N 50456 1 248 . 1 1 286 286 LYS N N 15 37.79 0.76 . . . . 940 LYS N 50456 1 249 . 1 1 287 287 LEU N N 15 29.49 0.61 . . . . 941 LEU N 50456 1 250 . 1 1 289 289 LYS N N 15 23.94 0.48 . . . . 943 LYS N 50456 1 251 . 1 1 290 290 GLY N N 15 31.39 3.28 . . . . 944 GLY N 50456 1 252 . 1 1 291 291 LYS N N 15 25.56 0.33 . . . . 945 LYS N 50456 1 253 . 1 1 292 292 HIS N N 15 28.77 2.28 . . . . 946 HIS N 50456 1 254 . 1 1 293 293 SER N N 15 21.90 1.15 . . . . 947 SER N 50456 1 255 . 1 1 294 294 VAL N N 15 24.54 3.88 . . . . 948 VAL N 50456 1 256 . 1 1 295 295 LYS N N 15 25.15 1.16 . . . . 949 LYS N 50456 1 257 . 1 1 296 296 GLY N N 15 24.62 1.38 . . . . 950 GLY N 50456 1 258 . 1 1 297 297 LEU N N 15 25.58 0.57 . . . . 951 LEU N 50456 1 259 . 1 1 298 298 GLY N N 15 26.73 3.29 . . . . 952 GLY N 50456 1 260 . 1 1 299 299 LYS N N 15 27.31 1.82 . . . . 953 LYS N 50456 1 261 . 1 1 300 300 THR N N 15 26.06 0.98 . . . . 954 THR N 50456 1 262 . 1 1 301 301 THR N N 15 24.69 0.75 . . . . 955 THR N 50456 1 263 . 1 1 303 303 ASP N N 15 24.98 1.01 . . . . 957 ASP N 50456 1 264 . 1 1 306 306 ALA N N 15 22.93 0.56 . . . . 960 ALA N 50456 1 265 . 1 1 307 307 ASN N N 15 28.67 0.48 . . . . 961 ASN N 50456 1 266 . 1 1 308 308 ILE N N 15 22.91 0.88 . . . . 962 ILE N 50456 1 267 . 1 1 309 309 SER N N 15 29.07 1.28 . . . . 963 SER N 50456 1 268 . 1 1 310 310 LEU N N 15 26.89 0.64 . . . . 964 LEU N 50456 1 269 . 1 1 311 311 ASP N N 15 27.61 0.88 . . . . 965 ASP N 50456 1 270 . 1 1 312 312 GLY N N 15 28.07 1.04 . . . . 966 GLY N 50456 1 271 . 1 1 313 313 VAL N N 15 27.24 0.70 . . . . 967 VAL N 50456 1 272 . 1 1 314 314 ASP N N 15 23.33 1.46 . . . . 968 ASP N 50456 1 273 . 1 1 315 315 VAL N N 15 24.45 1.98 . . . . 969 VAL N 50456 1 274 . 1 1 317 317 LEU N N 15 29.10 2.14 . . . . 971 LEU N 50456 1 275 . 1 1 318 318 GLY N N 15 27.33 1.68 . . . . 972 GLY N 50456 1 276 . 1 1 319 319 THR N N 15 21.69 0.80 . . . . 973 THR N 50456 1 277 . 1 1 320 320 GLY N N 15 24.18 1.34 . . . . 974 GLY N 50456 1 278 . 1 1 321 321 ILE N N 15 28.58 1.62 . . . . 975 ILE N 50456 1 279 . 1 1 322 322 SER N N 15 26.21 1.35 . . . . 976 SER N 50456 1 280 . 1 1 323 323 SER N N 15 27.21 0.41 . . . . 977 SER N 50456 1 281 . 1 1 324 324 GLY N N 15 25.16 0.76 . . . . 978 GLY N 50456 1 282 . 1 1 325 325 VAL N N 15 24.87 1.34 . . . . 979 VAL N 50456 1 283 . 1 1 326 326 ASN N N 15 26.98 1.12 . . . . 980 ASN N 50456 1 284 . 1 1 327 327 ASP N N 15 27.22 1.74 . . . . 981 ASP N 50456 1 285 . 1 1 328 328 THR N N 15 34.37 0.60 . . . . 982 THR N 50456 1 286 . 1 1 329 329 SER N N 15 29.94 1.45 . . . . 983 SER N 50456 1 287 . 1 1 330 330 LEU N N 15 24.97 0.36 . . . . 984 LEU N 50456 1 288 . 1 1 331 331 LEU N N 15 23.79 1.10 . . . . 985 LEU N 50456 1 289 . 1 1 332 332 TYR N N 15 26.12 1.59 . . . . 986 TYR N 50456 1 290 . 1 1 333 333 ASN N N 15 19.73 1.27 . . . . 987 ASN N 50456 1 291 . 1 1 334 334 GLU N N 15 26.30 2.08 . . . . 988 GLU N 50456 1 292 . 1 1 336 336 ILE N N 15 25.02 1.34 . . . . 990 ILE N 50456 1 293 . 1 1 337 337 VAL N N 15 26.46 2.11 . . . . 991 VAL N 50456 1 294 . 1 1 339 339 ASP N N 15 26.32 0.91 . . . . 993 ASP N 50456 1 295 . 1 1 340 340 ILE N N 15 25.91 0.77 . . . . 994 ILE N 50456 1 296 . 1 1 341 341 ALA N N 15 21.50 0.76 . . . . 995 ALA N 50456 1 297 . 1 1 343 343 VAL N N 15 26.42 0.23 . . . . 997 VAL N 50456 1 298 . 1 1 345 345 LEU N N 15 23.44 8.15 . . . . 999 LEU N 50456 1 299 . 1 1 346 346 LYS N N 15 27.72 1.08 . . . . 1000 LYS N 50456 1 300 . 1 1 347 347 TYR N N 15 23.90 0.89 . . . . 1001 TYR N 50456 1 301 . 1 1 348 348 LEU N N 15 26.39 1.72 . . . . 1002 LEU N 50456 1 302 . 1 1 349 349 LEU N N 15 22.75 0.85 . . . . 1003 LEU N 50456 1 303 . 1 1 350 350 LYS N N 15 24.70 0.71 . . . . 1004 LYS N 50456 1 304 . 1 1 351 351 LEU N N 15 25.71 1.36 . . . . 1005 LEU N 50456 1 305 . 1 1 352 352 LYS N N 15 29.09 2.11 . . . . 1006 LYS N 50456 1 306 . 1 1 353 353 PHE N N 15 22.44 2.67 . . . . 1007 PHE N 50456 1 307 . 1 1 354 354 ASN N N 15 25.44 0.96 . . . . 1008 ASN N 50456 1 308 . 1 1 355 355 PHE N N 15 32.77 0.72 . . . . 1009 PHE N 50456 1 309 . 1 1 356 356 LYS N N 15 33.88 1.11 . . . . 1010 LYS N 50456 1 310 . 1 1 357 357 THR N N 15 79.93 1.90 . . . . 1011 THR N 50456 1 311 . 1 1 359 359 LEU N N 15 279.09 4.00 . . . . 1013 LEU N 50456 1 stop_ save_