data_50459 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50459 _Entry.Title ; Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L765F mutant ; _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 L765F mutant' _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 50459 2 Ji-Chun Yang . . . 0000-0003-1933-5372 50459 3 David Neuhaus . . . 0000-0002-8561-7485 50459 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50459 heteronucl_NOEs 1 50459 heteronucl_T1_relaxation 1 50459 heteronucl_T1rho_relaxation 1 50459 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 324 50459 '1H chemical shifts' 324 50459 'T1 relaxation values' 308 50459 'T1rho relaxation values' 304 50459 'heteronuclear NOE values' 314 50459 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' 50459 1 . . 2020-09-15 2020-09-03 original author 'original release' 50459 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' 50459 BMRB 50455 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to veliparib' 50459 BMRB 50456 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to olaparib' 50459 BMRB 50457 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to talazoparib' 50459 BMRB 50458 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to EB-47' 50459 BMRB 50460 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L765A mutant' 50459 BMRB 50461 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L713F mutant' 50459 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50459 _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. . . 50459 1 2 Ji-Chun Yang . . . . 50459 1 3 Marianne Schimpl . . . . 50459 1 4 Laura Easton . E. . . 50459 1 5 Elizabeth Underwood . . . . 50459 1 6 Philip Rawlins . B. . . 50459 1 7 Michael McCauley . M. . . 50459 1 8 Marie-France Langelier . . . . 50459 1 9 John Pascal . M. . . 50459 1 10 Kevin Embrey . J. . . 50459 1 11 David Neuhaus . . . . 50459 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50459 _Assembly.ID 1 _Assembly.Name PARP-1_CAT_domain_L765F_mutant _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _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 . _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 L765F mutant' 1 $entity_1 . . yes native no no . . . 50459 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50459 _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 ADSVQAKAEMFDNLLDIEVA 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), but with L765F mutation. ; _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 . 50459 1 2 656 THR . 50459 1 3 657 VAL . 50459 1 4 658 ASN . 50459 1 5 659 PRO . 50459 1 6 660 GLY . 50459 1 7 661 THR . 50459 1 8 662 LYS . 50459 1 9 663 SER . 50459 1 10 664 LYS . 50459 1 11 665 LEU . 50459 1 12 666 PRO . 50459 1 13 667 LYS . 50459 1 14 668 PRO . 50459 1 15 669 VAL . 50459 1 16 670 GLN . 50459 1 17 671 ASP . 50459 1 18 672 LEU . 50459 1 19 673 ILE . 50459 1 20 674 LYS . 50459 1 21 675 MET . 50459 1 22 676 ILE . 50459 1 23 677 PHE . 50459 1 24 678 ASP . 50459 1 25 679 VAL . 50459 1 26 680 GLU . 50459 1 27 681 SER . 50459 1 28 682 MET . 50459 1 29 683 LYS . 50459 1 30 684 LYS . 50459 1 31 685 ALA . 50459 1 32 686 MET . 50459 1 33 687 VAL . 50459 1 34 688 GLU . 50459 1 35 689 TYR . 50459 1 36 690 GLU . 50459 1 37 691 ILE . 50459 1 38 692 ASP . 50459 1 39 693 LEU . 50459 1 40 694 GLN . 50459 1 41 695 LYS . 50459 1 42 696 MET . 50459 1 43 697 PRO . 50459 1 44 698 LEU . 50459 1 45 699 GLY . 50459 1 46 700 LYS . 50459 1 47 701 LEU . 50459 1 48 702 SER . 50459 1 49 703 LYS . 50459 1 50 704 ARG . 50459 1 51 705 GLN . 50459 1 52 706 ILE . 50459 1 53 707 GLN . 50459 1 54 708 ALA . 50459 1 55 709 ALA . 50459 1 56 710 TYR . 50459 1 57 711 SER . 50459 1 58 712 ILE . 50459 1 59 713 LEU . 50459 1 60 714 SER . 50459 1 61 715 GLU . 50459 1 62 716 VAL . 50459 1 63 717 GLN . 50459 1 64 718 GLN . 50459 1 65 719 ALA . 50459 1 66 720 VAL . 50459 1 67 721 SER . 50459 1 68 722 GLN . 50459 1 69 723 GLY . 50459 1 70 724 SER . 50459 1 71 725 SER . 50459 1 72 726 ASP . 50459 1 73 727 SER . 50459 1 74 728 GLN . 50459 1 75 729 ILE . 50459 1 76 730 LEU . 50459 1 77 731 ASP . 50459 1 78 732 LEU . 50459 1 79 733 SER . 50459 1 80 734 ASN . 50459 1 81 735 ARG . 50459 1 82 736 PHE . 50459 1 83 737 TYR . 50459 1 84 738 THR . 50459 1 85 739 LEU . 50459 1 86 740 ILE . 50459 1 87 741 PRO . 50459 1 88 742 HIS . 50459 1 89 743 ASP . 50459 1 90 744 PHE . 50459 1 91 745 GLY . 50459 1 92 746 MET . 50459 1 93 747 LYS . 50459 1 94 748 LYS . 50459 1 95 749 PRO . 50459 1 96 750 PRO . 50459 1 97 751 LEU . 50459 1 98 752 LEU . 50459 1 99 753 ASN . 50459 1 100 754 ASN . 50459 1 101 755 ALA . 50459 1 102 756 ASP . 50459 1 103 757 SER . 50459 1 104 758 VAL . 50459 1 105 759 GLN . 50459 1 106 760 ALA . 50459 1 107 761 LYS . 50459 1 108 762 ALA . 50459 1 109 763 GLU . 50459 1 110 764 MET . 50459 1 111 765 PHE . 50459 1 112 766 ASP . 50459 1 113 767 ASN . 50459 1 114 768 LEU . 50459 1 115 769 LEU . 50459 1 116 770 ASP . 50459 1 117 771 ILE . 50459 1 118 772 GLU . 50459 1 119 773 VAL . 50459 1 120 774 ALA . 50459 1 121 775 TYR . 50459 1 122 776 SER . 50459 1 123 777 LEU . 50459 1 124 778 LEU . 50459 1 125 779 ARG . 50459 1 126 780 GLY . 50459 1 127 781 GLY . 50459 1 128 782 SER . 50459 1 129 783 ASP . 50459 1 130 784 ASP . 50459 1 131 785 SER . 50459 1 132 786 SER . 50459 1 133 787 LYS . 50459 1 134 788 ASP . 50459 1 135 789 PRO . 50459 1 136 790 ILE . 50459 1 137 791 ASP . 50459 1 138 792 VAL . 50459 1 139 793 ASN . 50459 1 140 794 TYR . 50459 1 141 795 GLU . 50459 1 142 796 LYS . 50459 1 143 797 LEU . 50459 1 144 798 LYS . 50459 1 145 799 THR . 50459 1 146 800 ASP . 50459 1 147 801 ILE . 50459 1 148 802 LYS . 50459 1 149 803 VAL . 50459 1 150 804 VAL . 50459 1 151 805 ASP . 50459 1 152 806 ARG . 50459 1 153 807 ASP . 50459 1 154 808 SER . 50459 1 155 809 GLU . 50459 1 156 810 GLU . 50459 1 157 811 ALA . 50459 1 158 812 GLU . 50459 1 159 813 ILE . 50459 1 160 814 ILE . 50459 1 161 815 ARG . 50459 1 162 816 LYS . 50459 1 163 817 TYR . 50459 1 164 818 VAL . 50459 1 165 819 LYS . 50459 1 166 820 ASN . 50459 1 167 821 THR . 50459 1 168 822 HIS . 50459 1 169 823 ALA . 50459 1 170 824 THR . 50459 1 171 825 THR . 50459 1 172 826 HIS . 50459 1 173 827 ASN . 50459 1 174 828 ALA . 50459 1 175 829 TYR . 50459 1 176 830 ASP . 50459 1 177 831 LEU . 50459 1 178 832 GLU . 50459 1 179 833 VAL . 50459 1 180 834 ILE . 50459 1 181 835 ASP . 50459 1 182 836 ILE . 50459 1 183 837 PHE . 50459 1 184 838 LYS . 50459 1 185 839 ILE . 50459 1 186 840 GLU . 50459 1 187 841 ARG . 50459 1 188 842 GLU . 50459 1 189 843 GLY . 50459 1 190 844 GLU . 50459 1 191 845 CYS . 50459 1 192 846 GLN . 50459 1 193 847 ARG . 50459 1 194 848 TYR . 50459 1 195 849 LYS . 50459 1 196 850 PRO . 50459 1 197 851 PHE . 50459 1 198 852 LYS . 50459 1 199 853 GLN . 50459 1 200 854 LEU . 50459 1 201 855 HIS . 50459 1 202 856 ASN . 50459 1 203 857 ARG . 50459 1 204 858 ARG . 50459 1 205 859 LEU . 50459 1 206 860 LEU . 50459 1 207 861 TRP . 50459 1 208 862 HIS . 50459 1 209 863 GLY . 50459 1 210 864 SER . 50459 1 211 865 ARG . 50459 1 212 866 THR . 50459 1 213 867 THR . 50459 1 214 868 ASN . 50459 1 215 869 PHE . 50459 1 216 870 ALA . 50459 1 217 871 GLY . 50459 1 218 872 ILE . 50459 1 219 873 LEU . 50459 1 220 874 SER . 50459 1 221 875 GLN . 50459 1 222 876 GLY . 50459 1 223 877 LEU . 50459 1 224 878 ARG . 50459 1 225 879 ILE . 50459 1 226 880 ALA . 50459 1 227 881 PRO . 50459 1 228 882 PRO . 50459 1 229 883 GLU . 50459 1 230 884 ALA . 50459 1 231 885 PRO . 50459 1 232 886 VAL . 50459 1 233 887 THR . 50459 1 234 888 GLY . 50459 1 235 889 TYR . 50459 1 236 890 MET . 50459 1 237 891 PHE . 50459 1 238 892 GLY . 50459 1 239 893 LYS . 50459 1 240 894 GLY . 50459 1 241 895 ILE . 50459 1 242 896 TYR . 50459 1 243 897 PHE . 50459 1 244 898 ALA . 50459 1 245 899 ASP . 50459 1 246 900 MET . 50459 1 247 901 VAL . 50459 1 248 902 SER . 50459 1 249 903 LYS . 50459 1 250 904 SER . 50459 1 251 905 ALA . 50459 1 252 906 ASN . 50459 1 253 907 TYR . 50459 1 254 908 CYS . 50459 1 255 909 HIS . 50459 1 256 910 THR . 50459 1 257 911 SER . 50459 1 258 912 GLN . 50459 1 259 913 GLY . 50459 1 260 914 ASP . 50459 1 261 915 PRO . 50459 1 262 916 ILE . 50459 1 263 917 GLY . 50459 1 264 918 LEU . 50459 1 265 919 ILE . 50459 1 266 920 LEU . 50459 1 267 921 LEU . 50459 1 268 922 GLY . 50459 1 269 923 GLU . 50459 1 270 924 VAL . 50459 1 271 925 ALA . 50459 1 272 926 LEU . 50459 1 273 927 GLY . 50459 1 274 928 ASN . 50459 1 275 929 MET . 50459 1 276 930 TYR . 50459 1 277 931 GLU . 50459 1 278 932 LEU . 50459 1 279 933 LYS . 50459 1 280 934 HIS . 50459 1 281 935 ALA . 50459 1 282 936 SER . 50459 1 283 937 HIS . 50459 1 284 938 ILE . 50459 1 285 939 SER . 50459 1 286 940 LYS . 50459 1 287 941 LEU . 50459 1 288 942 PRO . 50459 1 289 943 LYS . 50459 1 290 944 GLY . 50459 1 291 945 LYS . 50459 1 292 946 HIS . 50459 1 293 947 SER . 50459 1 294 948 VAL . 50459 1 295 949 LYS . 50459 1 296 950 GLY . 50459 1 297 951 LEU . 50459 1 298 952 GLY . 50459 1 299 953 LYS . 50459 1 300 954 THR . 50459 1 301 955 THR . 50459 1 302 956 PRO . 50459 1 303 957 ASP . 50459 1 304 958 PRO . 50459 1 305 959 SER . 50459 1 306 960 ALA . 50459 1 307 961 ASN . 50459 1 308 962 ILE . 50459 1 309 963 SER . 50459 1 310 964 LEU . 50459 1 311 965 ASP . 50459 1 312 966 GLY . 50459 1 313 967 VAL . 50459 1 314 968 ASP . 50459 1 315 969 VAL . 50459 1 316 970 PRO . 50459 1 317 971 LEU . 50459 1 318 972 GLY . 50459 1 319 973 THR . 50459 1 320 974 GLY . 50459 1 321 975 ILE . 50459 1 322 976 SER . 50459 1 323 977 SER . 50459 1 324 978 GLY . 50459 1 325 979 VAL . 50459 1 326 980 ASN . 50459 1 327 981 ASP . 50459 1 328 982 THR . 50459 1 329 983 SER . 50459 1 330 984 LEU . 50459 1 331 985 LEU . 50459 1 332 986 TYR . 50459 1 333 987 ASN . 50459 1 334 988 GLU . 50459 1 335 989 TYR . 50459 1 336 990 ILE . 50459 1 337 991 VAL . 50459 1 338 992 TYR . 50459 1 339 993 ASP . 50459 1 340 994 ILE . 50459 1 341 995 ALA . 50459 1 342 996 GLN . 50459 1 343 997 VAL . 50459 1 344 998 ASN . 50459 1 345 999 LEU . 50459 1 346 1000 LYS . 50459 1 347 1001 TYR . 50459 1 348 1002 LEU . 50459 1 349 1003 LEU . 50459 1 350 1004 LYS . 50459 1 351 1005 LEU . 50459 1 352 1006 LYS . 50459 1 353 1007 PHE . 50459 1 354 1008 ASN . 50459 1 355 1009 PHE . 50459 1 356 1010 LYS . 50459 1 357 1011 THR . 50459 1 358 1012 SER . 50459 1 359 1013 LEU . 50459 1 360 1014 TRP . 50459 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 50459 1 . THR 2 2 50459 1 . VAL 3 3 50459 1 . ASN 4 4 50459 1 . PRO 5 5 50459 1 . GLY 6 6 50459 1 . THR 7 7 50459 1 . LYS 8 8 50459 1 . SER 9 9 50459 1 . LYS 10 10 50459 1 . LEU 11 11 50459 1 . PRO 12 12 50459 1 . LYS 13 13 50459 1 . PRO 14 14 50459 1 . VAL 15 15 50459 1 . GLN 16 16 50459 1 . ASP 17 17 50459 1 . LEU 18 18 50459 1 . ILE 19 19 50459 1 . LYS 20 20 50459 1 . MET 21 21 50459 1 . ILE 22 22 50459 1 . PHE 23 23 50459 1 . ASP 24 24 50459 1 . VAL 25 25 50459 1 . GLU 26 26 50459 1 . SER 27 27 50459 1 . MET 28 28 50459 1 . LYS 29 29 50459 1 . LYS 30 30 50459 1 . ALA 31 31 50459 1 . MET 32 32 50459 1 . VAL 33 33 50459 1 . GLU 34 34 50459 1 . TYR 35 35 50459 1 . GLU 36 36 50459 1 . ILE 37 37 50459 1 . ASP 38 38 50459 1 . LEU 39 39 50459 1 . GLN 40 40 50459 1 . LYS 41 41 50459 1 . MET 42 42 50459 1 . PRO 43 43 50459 1 . LEU 44 44 50459 1 . GLY 45 45 50459 1 . LYS 46 46 50459 1 . LEU 47 47 50459 1 . SER 48 48 50459 1 . LYS 49 49 50459 1 . ARG 50 50 50459 1 . GLN 51 51 50459 1 . ILE 52 52 50459 1 . GLN 53 53 50459 1 . ALA 54 54 50459 1 . ALA 55 55 50459 1 . TYR 56 56 50459 1 . SER 57 57 50459 1 . ILE 58 58 50459 1 . LEU 59 59 50459 1 . SER 60 60 50459 1 . GLU 61 61 50459 1 . VAL 62 62 50459 1 . GLN 63 63 50459 1 . GLN 64 64 50459 1 . ALA 65 65 50459 1 . VAL 66 66 50459 1 . SER 67 67 50459 1 . GLN 68 68 50459 1 . GLY 69 69 50459 1 . SER 70 70 50459 1 . SER 71 71 50459 1 . ASP 72 72 50459 1 . SER 73 73 50459 1 . GLN 74 74 50459 1 . ILE 75 75 50459 1 . LEU 76 76 50459 1 . ASP 77 77 50459 1 . LEU 78 78 50459 1 . SER 79 79 50459 1 . ASN 80 80 50459 1 . ARG 81 81 50459 1 . PHE 82 82 50459 1 . TYR 83 83 50459 1 . THR 84 84 50459 1 . LEU 85 85 50459 1 . ILE 86 86 50459 1 . PRO 87 87 50459 1 . HIS 88 88 50459 1 . ASP 89 89 50459 1 . PHE 90 90 50459 1 . GLY 91 91 50459 1 . MET 92 92 50459 1 . LYS 93 93 50459 1 . LYS 94 94 50459 1 . PRO 95 95 50459 1 . PRO 96 96 50459 1 . LEU 97 97 50459 1 . LEU 98 98 50459 1 . ASN 99 99 50459 1 . ASN 100 100 50459 1 . ALA 101 101 50459 1 . ASP 102 102 50459 1 . SER 103 103 50459 1 . VAL 104 104 50459 1 . GLN 105 105 50459 1 . ALA 106 106 50459 1 . LYS 107 107 50459 1 . ALA 108 108 50459 1 . GLU 109 109 50459 1 . MET 110 110 50459 1 . PHE 111 111 50459 1 . ASP 112 112 50459 1 . ASN 113 113 50459 1 . LEU 114 114 50459 1 . LEU 115 115 50459 1 . ASP 116 116 50459 1 . ILE 117 117 50459 1 . GLU 118 118 50459 1 . VAL 119 119 50459 1 . ALA 120 120 50459 1 . TYR 121 121 50459 1 . SER 122 122 50459 1 . LEU 123 123 50459 1 . LEU 124 124 50459 1 . ARG 125 125 50459 1 . GLY 126 126 50459 1 . GLY 127 127 50459 1 . SER 128 128 50459 1 . ASP 129 129 50459 1 . ASP 130 130 50459 1 . SER 131 131 50459 1 . SER 132 132 50459 1 . LYS 133 133 50459 1 . ASP 134 134 50459 1 . PRO 135 135 50459 1 . ILE 136 136 50459 1 . ASP 137 137 50459 1 . VAL 138 138 50459 1 . ASN 139 139 50459 1 . TYR 140 140 50459 1 . GLU 141 141 50459 1 . LYS 142 142 50459 1 . LEU 143 143 50459 1 . LYS 144 144 50459 1 . THR 145 145 50459 1 . ASP 146 146 50459 1 . ILE 147 147 50459 1 . LYS 148 148 50459 1 . VAL 149 149 50459 1 . VAL 150 150 50459 1 . ASP 151 151 50459 1 . ARG 152 152 50459 1 . ASP 153 153 50459 1 . SER 154 154 50459 1 . GLU 155 155 50459 1 . GLU 156 156 50459 1 . ALA 157 157 50459 1 . GLU 158 158 50459 1 . ILE 159 159 50459 1 . ILE 160 160 50459 1 . ARG 161 161 50459 1 . LYS 162 162 50459 1 . TYR 163 163 50459 1 . VAL 164 164 50459 1 . LYS 165 165 50459 1 . ASN 166 166 50459 1 . THR 167 167 50459 1 . HIS 168 168 50459 1 . ALA 169 169 50459 1 . THR 170 170 50459 1 . THR 171 171 50459 1 . HIS 172 172 50459 1 . ASN 173 173 50459 1 . ALA 174 174 50459 1 . TYR 175 175 50459 1 . ASP 176 176 50459 1 . LEU 177 177 50459 1 . GLU 178 178 50459 1 . VAL 179 179 50459 1 . ILE 180 180 50459 1 . ASP 181 181 50459 1 . ILE 182 182 50459 1 . PHE 183 183 50459 1 . LYS 184 184 50459 1 . ILE 185 185 50459 1 . GLU 186 186 50459 1 . ARG 187 187 50459 1 . GLU 188 188 50459 1 . GLY 189 189 50459 1 . GLU 190 190 50459 1 . CYS 191 191 50459 1 . GLN 192 192 50459 1 . ARG 193 193 50459 1 . TYR 194 194 50459 1 . LYS 195 195 50459 1 . PRO 196 196 50459 1 . PHE 197 197 50459 1 . LYS 198 198 50459 1 . GLN 199 199 50459 1 . LEU 200 200 50459 1 . HIS 201 201 50459 1 . ASN 202 202 50459 1 . ARG 203 203 50459 1 . ARG 204 204 50459 1 . LEU 205 205 50459 1 . LEU 206 206 50459 1 . TRP 207 207 50459 1 . HIS 208 208 50459 1 . GLY 209 209 50459 1 . SER 210 210 50459 1 . ARG 211 211 50459 1 . THR 212 212 50459 1 . THR 213 213 50459 1 . ASN 214 214 50459 1 . PHE 215 215 50459 1 . ALA 216 216 50459 1 . GLY 217 217 50459 1 . ILE 218 218 50459 1 . LEU 219 219 50459 1 . SER 220 220 50459 1 . GLN 221 221 50459 1 . GLY 222 222 50459 1 . LEU 223 223 50459 1 . ARG 224 224 50459 1 . ILE 225 225 50459 1 . ALA 226 226 50459 1 . PRO 227 227 50459 1 . PRO 228 228 50459 1 . GLU 229 229 50459 1 . ALA 230 230 50459 1 . PRO 231 231 50459 1 . VAL 232 232 50459 1 . THR 233 233 50459 1 . GLY 234 234 50459 1 . TYR 235 235 50459 1 . MET 236 236 50459 1 . PHE 237 237 50459 1 . GLY 238 238 50459 1 . LYS 239 239 50459 1 . GLY 240 240 50459 1 . ILE 241 241 50459 1 . TYR 242 242 50459 1 . PHE 243 243 50459 1 . ALA 244 244 50459 1 . ASP 245 245 50459 1 . MET 246 246 50459 1 . VAL 247 247 50459 1 . SER 248 248 50459 1 . LYS 249 249 50459 1 . SER 250 250 50459 1 . ALA 251 251 50459 1 . ASN 252 252 50459 1 . TYR 253 253 50459 1 . CYS 254 254 50459 1 . HIS 255 255 50459 1 . THR 256 256 50459 1 . SER 257 257 50459 1 . GLN 258 258 50459 1 . GLY 259 259 50459 1 . ASP 260 260 50459 1 . PRO 261 261 50459 1 . ILE 262 262 50459 1 . GLY 263 263 50459 1 . LEU 264 264 50459 1 . ILE 265 265 50459 1 . LEU 266 266 50459 1 . LEU 267 267 50459 1 . GLY 268 268 50459 1 . GLU 269 269 50459 1 . VAL 270 270 50459 1 . ALA 271 271 50459 1 . LEU 272 272 50459 1 . GLY 273 273 50459 1 . ASN 274 274 50459 1 . MET 275 275 50459 1 . TYR 276 276 50459 1 . GLU 277 277 50459 1 . LEU 278 278 50459 1 . LYS 279 279 50459 1 . HIS 280 280 50459 1 . ALA 281 281 50459 1 . SER 282 282 50459 1 . HIS 283 283 50459 1 . ILE 284 284 50459 1 . SER 285 285 50459 1 . LYS 286 286 50459 1 . LEU 287 287 50459 1 . PRO 288 288 50459 1 . LYS 289 289 50459 1 . GLY 290 290 50459 1 . LYS 291 291 50459 1 . HIS 292 292 50459 1 . SER 293 293 50459 1 . VAL 294 294 50459 1 . LYS 295 295 50459 1 . GLY 296 296 50459 1 . LEU 297 297 50459 1 . GLY 298 298 50459 1 . LYS 299 299 50459 1 . THR 300 300 50459 1 . THR 301 301 50459 1 . PRO 302 302 50459 1 . ASP 303 303 50459 1 . PRO 304 304 50459 1 . SER 305 305 50459 1 . ALA 306 306 50459 1 . ASN 307 307 50459 1 . ILE 308 308 50459 1 . SER 309 309 50459 1 . LEU 310 310 50459 1 . ASP 311 311 50459 1 . GLY 312 312 50459 1 . VAL 313 313 50459 1 . ASP 314 314 50459 1 . VAL 315 315 50459 1 . PRO 316 316 50459 1 . LEU 317 317 50459 1 . GLY 318 318 50459 1 . THR 319 319 50459 1 . GLY 320 320 50459 1 . ILE 321 321 50459 1 . SER 322 322 50459 1 . SER 323 323 50459 1 . GLY 324 324 50459 1 . VAL 325 325 50459 1 . ASN 326 326 50459 1 . ASP 327 327 50459 1 . THR 328 328 50459 1 . SER 329 329 50459 1 . LEU 330 330 50459 1 . LEU 331 331 50459 1 . TYR 332 332 50459 1 . ASN 333 333 50459 1 . GLU 334 334 50459 1 . TYR 335 335 50459 1 . ILE 336 336 50459 1 . VAL 337 337 50459 1 . TYR 338 338 50459 1 . ASP 339 339 50459 1 . ILE 340 340 50459 1 . ALA 341 341 50459 1 . GLN 342 342 50459 1 . VAL 343 343 50459 1 . ASN 344 344 50459 1 . LEU 345 345 50459 1 . LYS 346 346 50459 1 . TYR 347 347 50459 1 . LEU 348 348 50459 1 . LEU 349 349 50459 1 . LYS 350 350 50459 1 . LEU 351 351 50459 1 . LYS 352 352 50459 1 . PHE 353 353 50459 1 . ASN 354 354 50459 1 . PHE 355 355 50459 1 . LYS 356 356 50459 1 . THR 357 357 50459 1 . SER 358 358 50459 1 . LEU 359 359 50459 1 . TRP 360 360 50459 1 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 50459 _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 . . . . . . . . . . . . . 50459 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 50459 _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 . . . 50459 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50459 _Sample.ID 1 _Sample.Name 15N_labelled_CAT_domain_L765F_mutant _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 L765F mutant' [U-15N] . . 1 $entity_1 . . 0.4 . . mM . . . . 50459 1 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50459 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50459 1 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50459 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 50459 _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 50459 1 pH 7.0 . pH 50459 1 pressure 1 . atm 50459 1 temperature 298 . K 50459 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50459 _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 . 50459 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50459 _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 . 50459 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50459 _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 . 50459 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50459 _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' . 50459 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50459 _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' . 50459 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 50459 _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_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50459 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Avance_950 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 50459 _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 . . . . . . . . . . . . . . . . . 50459 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50459 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 . . . . . . . . . . . . . . . . . 50459 1 4 '2D 1H-15N TROSY-based 15N T1 measurement' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50459 1 5 '2D 1H-15N TROSY-based 15N T1rho measurement' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50459 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 50459 _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 . . 50459 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 . . 50459 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 . . 50459 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 50459 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name L765F_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' . . . 50459 1 2 '3D 15N-separated NOESY' . . . 50459 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 . . 50459 1 5 $software_5 . . 50459 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 8.324 0.02 . 1 . . . . . 657 V HN . 50459 1 2 . 1 . 1 3 3 VAL N N 15 123.317 0.1 . 1 . . . . . 657 V N . 50459 1 3 . 1 . 1 4 4 ASN H H 1 8.674 0.02 . 1 . . . . . 658 N HN . 50459 1 4 . 1 . 1 4 4 ASN N N 15 124.683 0.1 . 1 . . . . . 658 N N . 50459 1 5 . 1 . 1 6 6 GLY H H 1 8.976 0.02 . 1 . . . . . 660 G HN . 50459 1 6 . 1 . 1 6 6 GLY N N 15 110.721 0.1 . 1 . . . . . 660 G N . 50459 1 7 . 1 . 1 7 7 THR H H 1 7.986 0.02 . 1 . . . . . 661 T HN . 50459 1 8 . 1 . 1 7 7 THR N N 15 113.477 0.1 . 1 . . . . . 661 T N . 50459 1 9 . 1 . 1 8 8 LYS H H 1 8.465 0.02 . 1 . . . . . 662 K HN . 50459 1 10 . 1 . 1 8 8 LYS N N 15 122.533 0.1 . 1 . . . . . 662 K N . 50459 1 11 . 1 . 1 9 9 SER H H 1 8.677 0.02 . 1 . . . . . 663 S HN . 50459 1 12 . 1 . 1 9 9 SER N N 15 117.319 0.1 . 1 . . . . . 663 S N . 50459 1 13 . 1 . 1 10 10 LYS H H 1 9.567 0.02 . 1 . . . . . 664 K HN . 50459 1 14 . 1 . 1 10 10 LYS N N 15 128.121 0.1 . 1 . . . . . 664 K N . 50459 1 15 . 1 . 1 11 11 LEU H H 1 8.490 0.02 . 1 . . . . . 665 L HN . 50459 1 16 . 1 . 1 11 11 LEU N N 15 123.200 0.1 . 1 . . . . . 665 L N . 50459 1 17 . 1 . 1 13 13 LYS H H 1 9.434 0.02 . 1 . . . . . 667 K HN . 50459 1 18 . 1 . 1 13 13 LYS N N 15 127.049 0.1 . 1 . . . . . 667 K N . 50459 1 19 . 1 . 1 15 15 VAL H H 1 7.147 0.02 . 1 . . . . . 669 V HN . 50459 1 20 . 1 . 1 15 15 VAL N N 15 114.905 0.1 . 1 . . . . . 669 V N . 50459 1 21 . 1 . 1 16 16 GLN H H 1 8.041 0.02 . 1 . . . . . 670 Q HN . 50459 1 22 . 1 . 1 16 16 GLN N N 15 119.755 0.1 . 1 . . . . . 670 Q N . 50459 1 23 . 1 . 1 17 17 ASP H H 1 8.487 0.02 . 1 . . . . . 671 D HN . 50459 1 24 . 1 . 1 17 17 ASP N N 15 116.978 0.1 . 1 . . . . . 671 D N . 50459 1 25 . 1 . 1 18 18 LEU H H 1 7.485 0.02 . 1 . . . . . 672 L HN . 50459 1 26 . 1 . 1 18 18 LEU N N 15 123.115 0.1 . 1 . . . . . 672 L N . 50459 1 27 . 1 . 1 19 19 ILE H H 1 8.206 0.02 . 1 . . . . . 673 I HN . 50459 1 28 . 1 . 1 19 19 ILE N N 15 119.244 0.1 . 1 . . . . . 673 I N . 50459 1 29 . 1 . 1 20 20 LYS H H 1 8.231 0.02 . 1 . . . . . 674 K HN . 50459 1 30 . 1 . 1 20 20 LYS N N 15 118.395 0.1 . 1 . . . . . 674 K N . 50459 1 31 . 1 . 1 21 21 MET H H 1 7.557 0.02 . 1 . . . . . 675 M HN . 50459 1 32 . 1 . 1 21 21 MET N N 15 116.370 0.1 . 1 . . . . . 675 M N . 50459 1 33 . 1 . 1 22 22 ILE H H 1 8.087 0.02 . 1 . . . . . 676 I HN . 50459 1 34 . 1 . 1 22 22 ILE N N 15 114.472 0.1 . 1 . . . . . 676 I N . 50459 1 35 . 1 . 1 23 23 PHE H H 1 7.506 0.02 . 1 . . . . . 677 F HN . 50459 1 36 . 1 . 1 23 23 PHE N N 15 117.874 0.1 . 1 . . . . . 677 F N . 50459 1 37 . 1 . 1 24 24 ASP H H 1 6.870 0.02 . 1 . . . . . 678 D HN . 50459 1 38 . 1 . 1 24 24 ASP N N 15 118.818 0.1 . 1 . . . . . 678 D N . 50459 1 39 . 1 . 1 25 25 VAL H H 1 8.728 0.02 . 1 . . . . . 679 V HN . 50459 1 40 . 1 . 1 25 25 VAL N N 15 129.615 0.1 . 1 . . . . . 679 V N . 50459 1 41 . 1 . 1 26 26 GLU H H 1 8.431 0.02 . 1 . . . . . 680 E HN . 50459 1 42 . 1 . 1 26 26 GLU N N 15 121.323 0.1 . 1 . . . . . 680 E N . 50459 1 43 . 1 . 1 27 27 SER H H 1 7.977 0.02 . 1 . . . . . 681 S HN . 50459 1 44 . 1 . 1 27 27 SER N N 15 116.867 0.1 . 1 . . . . . 681 S N . 50459 1 45 . 1 . 1 28 28 MET H H 1 7.515 0.02 . 1 . . . . . 682 M HN . 50459 1 46 . 1 . 1 28 28 MET N N 15 122.529 0.1 . 1 . . . . . 682 M N . 50459 1 47 . 1 . 1 29 29 LYS H H 1 8.011 0.02 . 1 . . . . . 683 K HN . 50459 1 48 . 1 . 1 29 29 LYS N N 15 117.994 0.1 . 1 . . . . . 683 K N . 50459 1 49 . 1 . 1 30 30 LYS H H 1 8.211 0.02 . 1 . . . . . 684 K HN . 50459 1 50 . 1 . 1 30 30 LYS N N 15 118.393 0.1 . 1 . . . . . 684 K N . 50459 1 51 . 1 . 1 31 31 ALA H H 1 7.568 0.02 . 1 . . . . . 685 A HN . 50459 1 52 . 1 . 1 31 31 ALA N N 15 120.958 0.1 . 1 . . . . . 685 A N . 50459 1 53 . 1 . 1 32 32 MET H H 1 7.390 0.02 . 1 . . . . . 686 M HN . 50459 1 54 . 1 . 1 32 32 MET N N 15 114.543 0.1 . 1 . . . . . 686 M N . 50459 1 55 . 1 . 1 33 33 VAL H H 1 8.290 0.02 . 1 . . . . . 687 V HN . 50459 1 56 . 1 . 1 33 33 VAL N N 15 119.764 0.1 . 1 . . . . . 687 V N . 50459 1 57 . 1 . 1 34 34 GLU H H 1 8.213 0.02 . 1 . . . . . 688 E HN . 50459 1 58 . 1 . 1 34 34 GLU N N 15 123.980 0.1 . 1 . . . . . 688 E N . 50459 1 59 . 1 . 1 35 35 TYR H H 1 7.458 0.02 . 1 . . . . . 689 Y HN . 50459 1 60 . 1 . 1 35 35 TYR N N 15 117.872 0.1 . 1 . . . . . 689 Y N . 50459 1 61 . 1 . 1 36 36 GLU H H 1 7.971 0.02 . 1 . . . . . 690 E HN . 50459 1 62 . 1 . 1 36 36 GLU N N 15 110.608 0.1 . 1 . . . . . 690 E N . 50459 1 63 . 1 . 1 37 37 ILE H H 1 7.467 0.02 . 1 . . . . . 691 I HN . 50459 1 64 . 1 . 1 37 37 ILE N N 15 118.547 0.1 . 1 . . . . . 691 I N . 50459 1 65 . 1 . 1 38 38 ASP H H 1 8.054 0.02 . 1 . . . . . 692 D HN . 50459 1 66 . 1 . 1 38 38 ASP N N 15 124.269 0.1 . 1 . . . . . 692 D N . 50459 1 67 . 1 . 1 39 39 LEU H H 1 8.200 0.02 . 1 . . . . . 693 L HN . 50459 1 68 . 1 . 1 39 39 LEU N N 15 127.837 0.1 . 1 . . . . . 693 L N . 50459 1 69 . 1 . 1 40 40 GLN H H 1 8.206 0.02 . 1 . . . . . 694 Q HN . 50459 1 70 . 1 . 1 40 40 GLN N N 15 116.217 0.1 . 1 . . . . . 694 Q N . 50459 1 71 . 1 . 1 41 41 LYS H H 1 7.080 0.02 . 1 . . . . . 695 K HN . 50459 1 72 . 1 . 1 41 41 LYS N N 15 117.543 0.1 . 1 . . . . . 695 K N . 50459 1 73 . 1 . 1 42 42 MET H H 1 8.490 0.02 . 1 . . . . . 696 M HN . 50459 1 74 . 1 . 1 42 42 MET N N 15 122.015 0.1 . 1 . . . . . 696 M N . 50459 1 75 . 1 . 1 44 44 LEU H H 1 8.319 0.02 . 1 . . . . . 698 L HN . 50459 1 76 . 1 . 1 44 44 LEU N N 15 120.830 0.1 . 1 . . . . . 698 L N . 50459 1 77 . 1 . 1 46 46 LYS H H 1 7.949 0.02 . 1 . . . . . 700 K HN . 50459 1 78 . 1 . 1 46 46 LYS N N 15 119.220 0.1 . 1 . . . . . 700 K N . 50459 1 79 . 1 . 1 49 49 LYS H H 1 8.831 0.02 . 1 . . . . . 703 K HN . 50459 1 80 . 1 . 1 49 49 LYS N N 15 124.576 0.1 . 1 . . . . . 703 K N . 50459 1 81 . 1 . 1 50 50 ARG H H 1 8.332 0.02 . 1 . . . . . 704 R HN . 50459 1 82 . 1 . 1 50 50 ARG N N 15 118.103 0.1 . 1 . . . . . 704 R N . 50459 1 83 . 1 . 1 51 51 GLN H H 1 7.691 0.02 . 1 . . . . . 705 Q HN . 50459 1 84 . 1 . 1 51 51 GLN N N 15 120.764 0.1 . 1 . . . . . 705 Q N . 50459 1 85 . 1 . 1 52 52 ILE H H 1 7.758 0.02 . 1 . . . . . 706 I HN . 50459 1 86 . 1 . 1 52 52 ILE N N 15 119.591 0.1 . 1 . . . . . 706 I N . 50459 1 87 . 1 . 1 53 53 GLN H H 1 8.421 0.02 . 1 . . . . . 707 Q HN . 50459 1 88 . 1 . 1 53 53 GLN N N 15 118.106 0.1 . 1 . . . . . 707 Q N . 50459 1 89 . 1 . 1 54 54 ALA H H 1 7.900 0.02 . 1 . . . . . 708 A HN . 50459 1 90 . 1 . 1 54 54 ALA N N 15 121.272 0.1 . 1 . . . . . 708 A N . 50459 1 91 . 1 . 1 55 55 ALA H H 1 8.135 0.02 . 1 . . . . . 709 A HN . 50459 1 92 . 1 . 1 55 55 ALA N N 15 123.670 0.1 . 1 . . . . . 709 A N . 50459 1 93 . 1 . 1 56 56 TYR H H 1 8.518 0.02 . 1 . . . . . 710 Y HN . 50459 1 94 . 1 . 1 56 56 TYR N N 15 118.790 0.1 . 1 . . . . . 710 Y N . 50459 1 95 . 1 . 1 57 57 SER H H 1 7.979 0.02 . 1 . . . . . 711 S HN . 50459 1 96 . 1 . 1 57 57 SER N N 15 113.730 0.1 . 1 . . . . . 711 S N . 50459 1 97 . 1 . 1 58 58 ILE H H 1 7.891 0.02 . 1 . . . . . 712 I HN . 50459 1 98 . 1 . 1 58 58 ILE N N 15 122.668 0.1 . 1 . . . . . 712 I N . 50459 1 99 . 1 . 1 59 59 LEU H H 1 8.435 0.02 . 1 . . . . . 713 L HN . 50459 1 100 . 1 . 1 59 59 LEU N N 15 119.590 0.1 . 1 . . . . . 713 L N . 50459 1 101 . 1 . 1 60 60 SER H H 1 8.485 0.02 . 1 . . . . . 714 S HN . 50459 1 102 . 1 . 1 60 60 SER N N 15 115.994 0.1 . 1 . . . . . 714 S N . 50459 1 103 . 1 . 1 61 61 GLU H H 1 8.003 0.02 . 1 . . . . . 715 E HN . 50459 1 104 . 1 . 1 61 61 GLU N N 15 124.253 0.1 . 1 . . . . . 715 E N . 50459 1 105 . 1 . 1 62 62 VAL H H 1 8.936 0.02 . 1 . . . . . 716 V HN . 50459 1 106 . 1 . 1 62 62 VAL N N 15 122.731 0.1 . 1 . . . . . 716 V N . 50459 1 107 . 1 . 1 63 63 GLN H H 1 8.363 0.02 . 1 . . . . . 717 Q HN . 50459 1 108 . 1 . 1 63 63 GLN N N 15 119.210 0.1 . 1 . . . . . 717 Q N . 50459 1 109 . 1 . 1 64 64 GLN H H 1 7.803 0.02 . 1 . . . . . 718 Q HN . 50459 1 110 . 1 . 1 64 64 GLN N N 15 119.043 0.1 . 1 . . . . . 718 Q N . 50459 1 111 . 1 . 1 65 65 ALA H H 1 8.122 0.02 . 1 . . . . . 719 A HN . 50459 1 112 . 1 . 1 65 65 ALA N N 15 123.353 0.1 . 1 . . . . . 719 A N . 50459 1 113 . 1 . 1 66 66 VAL H H 1 8.799 0.02 . 1 . . . . . 720 V HN . 50459 1 114 . 1 . 1 66 66 VAL N N 15 118.121 0.1 . 1 . . . . . 720 V N . 50459 1 115 . 1 . 1 67 67 SER H H 1 8.095 0.02 . 1 . . . . . 721 S HN . 50459 1 116 . 1 . 1 67 67 SER N N 15 116.075 0.1 . 1 . . . . . 721 S N . 50459 1 117 . 1 . 1 68 68 GLN H H 1 7.982 0.02 . 1 . . . . . 722 Q HN . 50459 1 118 . 1 . 1 68 68 GLN N N 15 117.965 0.1 . 1 . . . . . 722 Q N . 50459 1 119 . 1 . 1 69 69 GLY H H 1 7.739 0.02 . 1 . . . . . 723 G HN . 50459 1 120 . 1 . 1 69 69 GLY N N 15 108.897 0.1 . 1 . . . . . 723 G N . 50459 1 121 . 1 . 1 70 70 SER H H 1 8.303 0.02 . 1 . . . . . 724 S HN . 50459 1 122 . 1 . 1 70 70 SER N N 15 115.610 0.1 . 1 . . . . . 724 S N . 50459 1 123 . 1 . 1 71 71 SER H H 1 8.618 0.02 . 1 . . . . . 725 S HN . 50459 1 124 . 1 . 1 71 71 SER N N 15 116.990 0.1 . 1 . . . . . 725 S N . 50459 1 125 . 1 . 1 72 72 ASP H H 1 8.833 0.02 . 1 . . . . . 726 D HN . 50459 1 126 . 1 . 1 72 72 ASP N N 15 122.709 0.1 . 1 . . . . . 726 D N . 50459 1 127 . 1 . 1 73 73 SER H H 1 8.491 0.02 . 1 . . . . . 727 S HN . 50459 1 128 . 1 . 1 73 73 SER N N 15 115.043 0.1 . 1 . . . . . 727 S N . 50459 1 129 . 1 . 1 74 74 GLN H H 1 7.762 0.02 . 1 . . . . . 728 Q HN . 50459 1 130 . 1 . 1 74 74 GLN N N 15 123.427 0.1 . 1 . . . . . 728 Q N . 50459 1 131 . 1 . 1 75 75 ILE H H 1 7.944 0.02 . 1 . . . . . 729 I HN . 50459 1 132 . 1 . 1 75 75 ILE N N 15 119.810 0.1 . 1 . . . . . 729 I N . 50459 1 133 . 1 . 1 76 76 LEU H H 1 8.428 0.02 . 1 . . . . . 730 L HN . 50459 1 134 . 1 . 1 76 76 LEU N N 15 125.049 0.1 . 1 . . . . . 730 L N . 50459 1 135 . 1 . 1 77 77 ASP H H 1 7.827 0.02 . 1 . . . . . 731 D HN . 50459 1 136 . 1 . 1 77 77 ASP N N 15 119.047 0.1 . 1 . . . . . 731 D N . 50459 1 137 . 1 . 1 78 78 LEU H H 1 8.171 0.02 . 1 . . . . . 732 L HN . 50459 1 138 . 1 . 1 78 78 LEU N N 15 118.935 0.1 . 1 . . . . . 732 L N . 50459 1 139 . 1 . 1 79 79 SER H H 1 8.296 0.02 . 1 . . . . . 733 S HN . 50459 1 140 . 1 . 1 79 79 SER N N 15 115.230 0.1 . 1 . . . . . 733 S N . 50459 1 141 . 1 . 1 80 80 ASN H H 1 8.714 0.02 . 1 . . . . . 734 N HN . 50459 1 142 . 1 . 1 80 80 ASN N N 15 119.394 0.1 . 1 . . . . . 734 N N . 50459 1 143 . 1 . 1 81 81 ARG H H 1 8.454 0.02 . 1 . . . . . 735 R HN . 50459 1 144 . 1 . 1 81 81 ARG N N 15 121.842 0.1 . 1 . . . . . 735 R N . 50459 1 145 . 1 . 1 82 82 PHE H H 1 8.463 0.02 . 1 . . . . . 736 F HN . 50459 1 146 . 1 . 1 82 82 PHE N N 15 122.162 0.1 . 1 . . . . . 736 F N . 50459 1 147 . 1 . 1 83 83 TYR H H 1 8.290 0.02 . 1 . . . . . 737 Y HN . 50459 1 148 . 1 . 1 83 83 TYR N N 15 115.615 0.1 . 1 . . . . . 737 Y N . 50459 1 149 . 1 . 1 84 84 THR H H 1 7.837 0.02 . 1 . . . . . 738 T HN . 50459 1 150 . 1 . 1 84 84 THR N N 15 115.550 0.1 . 1 . . . . . 738 T N . 50459 1 151 . 1 . 1 85 85 LEU H H 1 7.367 0.02 . 1 . . . . . 739 L HN . 50459 1 152 . 1 . 1 85 85 LEU N N 15 123.024 0.1 . 1 . . . . . 739 L N . 50459 1 153 . 1 . 1 86 86 ILE H H 1 7.900 0.02 . 1 . . . . . 740 I HN . 50459 1 154 . 1 . 1 86 86 ILE N N 15 116.988 0.1 . 1 . . . . . 740 I N . 50459 1 155 . 1 . 1 88 88 HIS H H 1 9.378 0.02 . 1 . . . . . 742 H HN . 50459 1 156 . 1 . 1 88 88 HIS N N 15 123.820 0.1 . 1 . . . . . 742 H N . 50459 1 157 . 1 . 1 89 89 ASP H H 1 8.594 0.02 . 1 . . . . . 743 D HN . 50459 1 158 . 1 . 1 89 89 ASP N N 15 121.412 0.1 . 1 . . . . . 743 D N . 50459 1 159 . 1 . 1 90 90 PHE H H 1 8.572 0.02 . 1 . . . . . 744 F HN . 50459 1 160 . 1 . 1 90 90 PHE N N 15 122.766 0.1 . 1 . . . . . 744 F N . 50459 1 161 . 1 . 1 91 91 GLY H H 1 8.729 0.02 . 1 . . . . . 745 G HN . 50459 1 162 . 1 . 1 91 91 GLY N N 15 111.386 0.1 . 1 . . . . . 745 G N . 50459 1 163 . 1 . 1 92 92 MET H H 1 9.090 0.02 . 1 . . . . . 746 M HN . 50459 1 164 . 1 . 1 92 92 MET N N 15 124.229 0.1 . 1 . . . . . 746 M N . 50459 1 165 . 1 . 1 93 93 LYS H H 1 7.828 0.02 . 1 . . . . . 747 K HN . 50459 1 166 . 1 . 1 93 93 LYS N N 15 120.997 0.1 . 1 . . . . . 747 K N . 50459 1 167 . 1 . 1 94 94 LYS H H 1 8.190 0.02 . 1 . . . . . 748 K HN . 50459 1 168 . 1 . 1 94 94 LYS N N 15 122.254 0.1 . 1 . . . . . 748 K N . 50459 1 169 . 1 . 1 97 97 LEU H H 1 8.419 0.02 . 1 . . . . . 751 L HN . 50459 1 170 . 1 . 1 97 97 LEU N N 15 123.555 0.1 . 1 . . . . . 751 L N . 50459 1 171 . 1 . 1 98 98 LEU H H 1 7.913 0.02 . 1 . . . . . 752 L HN . 50459 1 172 . 1 . 1 98 98 LEU N N 15 123.587 0.1 . 1 . . . . . 752 L N . 50459 1 173 . 1 . 1 99 99 ASN H H 1 7.378 0.02 . 1 . . . . . 753 N HN . 50459 1 174 . 1 . 1 99 99 ASN N N 15 114.158 0.1 . 1 . . . . . 753 N N . 50459 1 175 . 1 . 1 100 100 ASN H H 1 7.481 0.02 . 1 . . . . . 754 N HN . 50459 1 176 . 1 . 1 100 100 ASN N N 15 112.891 0.1 . 1 . . . . . 754 N N . 50459 1 177 . 1 . 1 101 101 ALA H H 1 9.109 0.02 . 1 . . . . . 755 A HN . 50459 1 178 . 1 . 1 101 101 ALA N N 15 124.332 0.1 . 1 . . . . . 755 A N . 50459 1 179 . 1 . 1 102 102 ASP H H 1 8.443 0.02 . 1 . . . . . 756 D HN . 50459 1 180 . 1 . 1 102 102 ASP N N 15 118.546 0.1 . 1 . . . . . 756 D N . 50459 1 181 . 1 . 1 103 103 SER H H 1 8.303 0.02 . 1 . . . . . 757 S HN . 50459 1 182 . 1 . 1 103 103 SER N N 15 117.035 0.1 . 1 . . . . . 757 S N . 50459 1 183 . 1 . 1 104 104 VAL H H 1 7.352 0.02 . 1 . . . . . 758 V HN . 50459 1 184 . 1 . 1 104 104 VAL N N 15 121.903 0.1 . 1 . . . . . 758 V N . 50459 1 185 . 1 . 1 105 105 GLN H H 1 8.127 0.02 . 1 . . . . . 759 Q HN . 50459 1 186 . 1 . 1 105 105 GLN N N 15 118.913 0.1 . 1 . . . . . 759 Q N . 50459 1 187 . 1 . 1 106 106 ALA H H 1 8.133 0.02 . 1 . . . . . 760 A HN . 50459 1 188 . 1 . 1 106 106 ALA N N 15 120.564 0.1 . 1 . . . . . 760 A N . 50459 1 189 . 1 . 1 107 107 LYS H H 1 7.902 0.02 . 1 . . . . . 761 K HN . 50459 1 190 . 1 . 1 107 107 LYS N N 15 116.340 0.1 . 1 . . . . . 761 K N . 50459 1 191 . 1 . 1 108 108 ALA H H 1 8.556 0.02 . 1 . . . . . 762 A HN . 50459 1 192 . 1 . 1 108 108 ALA N N 15 123.610 0.1 . 1 . . . . . 762 A N . 50459 1 193 . 1 . 1 109 109 GLU H H 1 8.107 0.02 . 1 . . . . . 763 E HN . 50459 1 194 . 1 . 1 109 109 GLU N N 15 118.529 0.1 . 1 . . . . . 763 E N . 50459 1 195 . 1 . 1 110 110 MET H H 1 7.545 0.02 . 1 . . . . . 764 M HN . 50459 1 196 . 1 . 1 110 110 MET N N 15 119.267 0.1 . 1 . . . . . 764 M N . 50459 1 197 . 1 . 1 111 111 PHE H H 1 8.117 0.02 . 1 . . . . . 765 F HN . 50459 1 198 . 1 . 1 111 111 PHE N N 15 118.532 0.1 . 1 . . . . . 765 F N . 50459 1 199 . 1 . 1 112 112 ASP H H 1 8.382 0.02 . 1 . . . . . 766 D HN . 50459 1 200 . 1 . 1 112 112 ASP N N 15 121.085 0.1 . 1 . . . . . 766 D N . 50459 1 201 . 1 . 1 113 113 ASN H H 1 7.490 0.02 . 1 . . . . . 767 N HN . 50459 1 202 . 1 . 1 113 113 ASN N N 15 116.845 0.1 . 1 . . . . . 767 N N . 50459 1 203 . 1 . 1 114 114 LEU H H 1 8.935 0.02 . 1 . . . . . 768 L HN . 50459 1 204 . 1 . 1 114 114 LEU N N 15 120.406 0.1 . 1 . . . . . 768 L N . 50459 1 205 . 1 . 1 115 115 LEU H H 1 8.673 0.02 . 1 . . . . . 769 L HN . 50459 1 206 . 1 . 1 115 115 LEU N N 15 119.515 0.1 . 1 . . . . . 769 L N . 50459 1 207 . 1 . 1 116 116 ASP H H 1 7.150 0.02 . 1 . . . . . 770 D HN . 50459 1 208 . 1 . 1 116 116 ASP N N 15 119.334 0.1 . 1 . . . . . 770 D N . 50459 1 209 . 1 . 1 117 117 ILE H H 1 8.485 0.02 . 1 . . . . . 771 I HN . 50459 1 210 . 1 . 1 117 117 ILE N N 15 127.791 0.1 . 1 . . . . . 771 I N . 50459 1 211 . 1 . 1 118 118 GLU H H 1 8.580 0.02 . 1 . . . . . 772 E HN . 50459 1 212 . 1 . 1 118 118 GLU N N 15 120.921 0.1 . 1 . . . . . 772 E N . 50459 1 213 . 1 . 1 119 119 VAL H H 1 7.615 0.02 . 1 . . . . . 773 V HN . 50459 1 214 . 1 . 1 119 119 VAL N N 15 119.245 0.1 . 1 . . . . . 773 V N . 50459 1 215 . 1 . 1 120 120 ALA H H 1 8.019 0.02 . 1 . . . . . 774 A HN . 50459 1 216 . 1 . 1 120 120 ALA N N 15 122.606 0.1 . 1 . . . . . 774 A N . 50459 1 217 . 1 . 1 121 121 TYR H H 1 9.192 0.02 . 1 . . . . . 775 Y HN . 50459 1 218 . 1 . 1 121 121 TYR N N 15 117.871 0.1 . 1 . . . . . 775 Y N . 50459 1 219 . 1 . 1 122 122 SER H H 1 8.659 0.02 . 1 . . . . . 776 S HN . 50459 1 220 . 1 . 1 122 122 SER N N 15 115.165 0.1 . 1 . . . . . 776 S N . 50459 1 221 . 1 . 1 123 123 LEU H H 1 8.176 0.02 . 1 . . . . . 777 L HN . 50459 1 222 . 1 . 1 123 123 LEU N N 15 122.819 0.1 . 1 . . . . . 777 L N . 50459 1 223 . 1 . 1 124 124 LEU H H 1 7.959 0.02 . 1 . . . . . 778 L HN . 50459 1 224 . 1 . 1 124 124 LEU N N 15 119.742 0.1 . 1 . . . . . 778 L N . 50459 1 225 . 1 . 1 125 125 ARG H H 1 7.779 0.02 . 1 . . . . . 779 R HN . 50459 1 226 . 1 . 1 125 125 ARG N N 15 117.116 0.1 . 1 . . . . . 779 R N . 50459 1 227 . 1 . 1 126 126 GLY H H 1 7.780 0.02 . 1 . . . . . 780 G HN . 50459 1 228 . 1 . 1 126 126 GLY N N 15 108.277 0.1 . 1 . . . . . 780 G N . 50459 1 229 . 1 . 1 127 127 GLY H H 1 8.044 0.02 . 1 . . . . . 781 G HN . 50459 1 230 . 1 . 1 127 127 GLY N N 15 107.858 0.1 . 1 . . . . . 781 G N . 50459 1 231 . 1 . 1 128 128 SER H H 1 8.272 0.02 . 1 . . . . . 782 S HN . 50459 1 232 . 1 . 1 128 128 SER N N 15 115.203 0.1 . 1 . . . . . 782 S N . 50459 1 233 . 1 . 1 129 129 ASP H H 1 8.476 0.02 . 1 . . . . . 783 D HN . 50459 1 234 . 1 . 1 129 129 ASP N N 15 123.198 0.1 . 1 . . . . . 783 D N . 50459 1 235 . 1 . 1 130 130 ASP H H 1 8.200 0.02 . 1 . . . . . 784 D HN . 50459 1 236 . 1 . 1 130 130 ASP N N 15 120.731 0.1 . 1 . . . . . 784 D N . 50459 1 237 . 1 . 1 131 131 SER H H 1 8.607 0.02 . 1 . . . . . 785 S HN . 50459 1 238 . 1 . 1 131 131 SER N N 15 119.659 0.1 . 1 . . . . . 785 S N . 50459 1 239 . 1 . 1 132 132 SER H H 1 8.697 0.02 . 1 . . . . . 786 S HN . 50459 1 240 . 1 . 1 132 132 SER N N 15 117.411 0.1 . 1 . . . . . 786 S N . 50459 1 241 . 1 . 1 133 133 LYS H H 1 7.455 0.02 . 1 . . . . . 787 K HN . 50459 1 242 . 1 . 1 133 133 LYS N N 15 122.341 0.1 . 1 . . . . . 787 K N . 50459 1 243 . 1 . 1 134 134 ASP H H 1 9.007 0.02 . 1 . . . . . 788 D HN . 50459 1 244 . 1 . 1 134 134 ASP N N 15 125.778 0.1 . 1 . . . . . 788 D N . 50459 1 245 . 1 . 1 136 136 ILE H H 1 8.939 0.02 . 1 . . . . . 790 I HN . 50459 1 246 . 1 . 1 136 136 ILE N N 15 117.860 0.1 . 1 . . . . . 790 I N . 50459 1 247 . 1 . 1 137 137 ASP H H 1 7.339 0.02 . 1 . . . . . 791 D HN . 50459 1 248 . 1 . 1 137 137 ASP N N 15 121.112 0.1 . 1 . . . . . 791 D N . 50459 1 249 . 1 . 1 138 138 VAL H H 1 7.843 0.02 . 1 . . . . . 792 V HN . 50459 1 250 . 1 . 1 138 138 VAL N N 15 121.192 0.1 . 1 . . . . . 792 V N . 50459 1 251 . 1 . 1 139 139 ASN H H 1 8.004 0.02 . 1 . . . . . 793 N HN . 50459 1 252 . 1 . 1 139 139 ASN N N 15 118.823 0.1 . 1 . . . . . 793 N N . 50459 1 253 . 1 . 1 140 140 TYR H H 1 8.529 0.02 . 1 . . . . . 794 Y HN . 50459 1 254 . 1 . 1 140 140 TYR N N 15 119.200 0.1 . 1 . . . . . 794 Y N . 50459 1 255 . 1 . 1 141 141 GLU H H 1 8.301 0.02 . 1 . . . . . 795 E HN . 50459 1 256 . 1 . 1 141 141 GLU N N 15 120.822 0.1 . 1 . . . . . 795 E N . 50459 1 257 . 1 . 1 142 142 LYS H H 1 7.593 0.02 . 1 . . . . . 796 K HN . 50459 1 258 . 1 . 1 142 142 LYS N N 15 117.262 0.1 . 1 . . . . . 796 K N . 50459 1 259 . 1 . 1 143 143 LEU H H 1 7.419 0.02 . 1 . . . . . 797 L HN . 50459 1 260 . 1 . 1 143 143 LEU N N 15 113.729 0.1 . 1 . . . . . 797 L N . 50459 1 261 . 1 . 1 144 144 LYS H H 1 7.545 0.02 . 1 . . . . . 798 K HN . 50459 1 262 . 1 . 1 144 144 LYS N N 15 114.431 0.1 . 1 . . . . . 798 K N . 50459 1 263 . 1 . 1 145 145 THR H H 1 8.387 0.02 . 1 . . . . . 799 T HN . 50459 1 264 . 1 . 1 145 145 THR N N 15 114.435 0.1 . 1 . . . . . 799 T N . 50459 1 265 . 1 . 1 146 146 ASP H H 1 8.302 0.02 . 1 . . . . . 800 D HN . 50459 1 266 . 1 . 1 146 146 ASP N N 15 128.069 0.1 . 1 . . . . . 800 D N . 50459 1 267 . 1 . 1 147 147 ILE H H 1 8.091 0.02 . 1 . . . . . 801 I HN . 50459 1 268 . 1 . 1 147 147 ILE N N 15 125.967 0.1 . 1 . . . . . 801 I N . 50459 1 269 . 1 . 1 148 148 LYS H H 1 8.797 0.02 . 1 . . . . . 802 K HN . 50459 1 270 . 1 . 1 148 148 LYS N N 15 125.874 0.1 . 1 . . . . . 802 K N . 50459 1 271 . 1 . 1 149 149 VAL H H 1 9.215 0.02 . 1 . . . . . 803 V HN . 50459 1 272 . 1 . 1 149 149 VAL N N 15 123.576 0.1 . 1 . . . . . 803 V N . 50459 1 273 . 1 . 1 150 150 VAL H H 1 8.687 0.02 . 1 . . . . . 804 V HN . 50459 1 274 . 1 . 1 150 150 VAL N N 15 131.210 0.1 . 1 . . . . . 804 V N . 50459 1 275 . 1 . 1 151 151 ASP H H 1 8.816 0.02 . 1 . . . . . 805 D HN . 50459 1 276 . 1 . 1 151 151 ASP N N 15 128.354 0.1 . 1 . . . . . 805 D N . 50459 1 277 . 1 . 1 152 152 ARG H H 1 8.823 0.02 . 1 . . . . . 806 R HN . 50459 1 278 . 1 . 1 152 152 ARG N N 15 127.004 0.1 . 1 . . . . . 806 R N . 50459 1 279 . 1 . 1 153 153 ASP H H 1 8.503 0.02 . 1 . . . . . 807 D HN . 50459 1 280 . 1 . 1 153 153 ASP N N 15 117.478 0.1 . 1 . . . . . 807 D N . 50459 1 281 . 1 . 1 154 154 SER H H 1 7.660 0.02 . 1 . . . . . 808 S HN . 50459 1 282 . 1 . 1 154 154 SER N N 15 115.375 0.1 . 1 . . . . . 808 S N . 50459 1 283 . 1 . 1 155 155 GLU H H 1 9.017 0.02 . 1 . . . . . 809 E HN . 50459 1 284 . 1 . 1 155 155 GLU N N 15 123.630 0.1 . 1 . . . . . 809 E N . 50459 1 285 . 1 . 1 156 156 GLU H H 1 8.667 0.02 . 1 . . . . . 810 E HN . 50459 1 286 . 1 . 1 156 156 GLU N N 15 117.994 0.1 . 1 . . . . . 810 E N . 50459 1 287 . 1 . 1 157 157 ALA H H 1 7.409 0.02 . 1 . . . . . 811 A HN . 50459 1 288 . 1 . 1 157 157 ALA N N 15 119.579 0.1 . 1 . . . . . 811 A N . 50459 1 289 . 1 . 1 158 158 GLU H H 1 7.787 0.02 . 1 . . . . . 812 E HN . 50459 1 290 . 1 . 1 158 158 GLU N N 15 118.334 0.1 . 1 . . . . . 812 E N . 50459 1 291 . 1 . 1 159 159 ILE H H 1 8.042 0.02 . 1 . . . . . 813 I HN . 50459 1 292 . 1 . 1 159 159 ILE N N 15 120.475 0.1 . 1 . . . . . 813 I N . 50459 1 293 . 1 . 1 160 160 ILE H H 1 7.737 0.02 . 1 . . . . . 814 I HN . 50459 1 294 . 1 . 1 160 160 ILE N N 15 119.908 0.1 . 1 . . . . . 814 I N . 50459 1 295 . 1 . 1 161 161 ARG H H 1 8.849 0.02 . 1 . . . . . 815 R HN . 50459 1 296 . 1 . 1 161 161 ARG N N 15 118.241 0.1 . 1 . . . . . 815 R N . 50459 1 297 . 1 . 1 162 162 LYS H H 1 8.266 0.02 . 1 . . . . . 816 K HN . 50459 1 298 . 1 . 1 162 162 LYS N N 15 121.886 0.1 . 1 . . . . . 816 K N . 50459 1 299 . 1 . 1 163 163 TYR H H 1 8.436 0.02 . 1 . . . . . 817 Y HN . 50459 1 300 . 1 . 1 163 163 TYR N N 15 122.193 0.1 . 1 . . . . . 817 Y N . 50459 1 301 . 1 . 1 164 164 VAL H H 1 8.408 0.02 . 1 . . . . . 818 V HN . 50459 1 302 . 1 . 1 164 164 VAL N N 15 119.566 0.1 . 1 . . . . . 818 V N . 50459 1 303 . 1 . 1 165 165 LYS H H 1 8.140 0.02 . 1 . . . . . 819 K HN . 50459 1 304 . 1 . 1 165 165 LYS N N 15 117.286 0.1 . 1 . . . . . 819 K N . 50459 1 305 . 1 . 1 166 166 ASN H H 1 9.230 0.02 . 1 . . . . . 820 N HN . 50459 1 306 . 1 . 1 166 166 ASN N N 15 115.419 0.1 . 1 . . . . . 820 N N . 50459 1 307 . 1 . 1 167 167 THR H H 1 7.438 0.02 . 1 . . . . . 821 T HN . 50459 1 308 . 1 . 1 167 167 THR N N 15 105.844 0.1 . 1 . . . . . 821 T N . 50459 1 309 . 1 . 1 168 168 HIS H H 1 7.081 0.02 . 1 . . . . . 822 H HN . 50459 1 310 . 1 . 1 168 168 HIS N N 15 120.306 0.1 . 1 . . . . . 822 H N . 50459 1 311 . 1 . 1 174 174 ALA H H 1 8.500 0.02 . 1 . . . . . 828 A HN . 50459 1 312 . 1 . 1 174 174 ALA N N 15 122.250 0.1 . 1 . . . . . 828 A N . 50459 1 313 . 1 . 1 175 175 TYR H H 1 6.940 0.02 . 1 . . . . . 829 Y HN . 50459 1 314 . 1 . 1 175 175 TYR N N 15 111.445 0.1 . 1 . . . . . 829 Y N . 50459 1 315 . 1 . 1 176 176 ASP H H 1 8.248 0.02 . 1 . . . . . 830 D HN . 50459 1 316 . 1 . 1 176 176 ASP N N 15 119.215 0.1 . 1 . . . . . 830 D N . 50459 1 317 . 1 . 1 178 178 GLU H H 1 8.640 0.02 . 1 . . . . . 832 E HN . 50459 1 318 . 1 . 1 178 178 GLU N N 15 122.219 0.1 . 1 . . . . . 832 E N . 50459 1 319 . 1 . 1 179 179 VAL H H 1 9.166 0.02 . 1 . . . . . 833 V HN . 50459 1 320 . 1 . 1 179 179 VAL N N 15 125.945 0.1 . 1 . . . . . 833 V N . 50459 1 321 . 1 . 1 180 180 ILE H H 1 9.014 0.02 . 1 . . . . . 834 I HN . 50459 1 322 . 1 . 1 180 180 ILE N N 15 129.522 0.1 . 1 . . . . . 834 I N . 50459 1 323 . 1 . 1 181 181 ASP H H 1 7.267 0.02 . 1 . . . . . 835 D HN . 50459 1 324 . 1 . 1 181 181 ASP N N 15 114.537 0.1 . 1 . . . . . 835 D N . 50459 1 325 . 1 . 1 182 182 ILE H H 1 8.629 0.02 . 1 . . . . . 836 I HN . 50459 1 326 . 1 . 1 182 182 ILE N N 15 119.754 0.1 . 1 . . . . . 836 I N . 50459 1 327 . 1 . 1 183 183 PHE H H 1 9.433 0.02 . 1 . . . . . 837 F HN . 50459 1 328 . 1 . 1 183 183 PHE N N 15 123.396 0.1 . 1 . . . . . 837 F N . 50459 1 329 . 1 . 1 184 184 LYS H H 1 9.650 0.02 . 1 . . . . . 838 K HN . 50459 1 330 . 1 . 1 184 184 LYS N N 15 126.566 0.1 . 1 . . . . . 838 K N . 50459 1 331 . 1 . 1 185 185 ILE H H 1 7.867 0.02 . 1 . . . . . 839 I HN . 50459 1 332 . 1 . 1 185 185 ILE N N 15 120.142 0.1 . 1 . . . . . 839 I N . 50459 1 333 . 1 . 1 186 186 GLU H H 1 8.126 0.02 . 1 . . . . . 840 E HN . 50459 1 334 . 1 . 1 186 186 GLU N N 15 119.839 0.1 . 1 . . . . . 840 E N . 50459 1 335 . 1 . 1 187 187 ARG H H 1 9.716 0.02 . 1 . . . . . 841 R HN . 50459 1 336 . 1 . 1 187 187 ARG N N 15 131.525 0.1 . 1 . . . . . 841 R N . 50459 1 337 . 1 . 1 188 188 GLU H H 1 8.883 0.02 . 1 . . . . . 842 E HN . 50459 1 338 . 1 . 1 188 188 GLU N N 15 128.150 0.1 . 1 . . . . . 842 E N . 50459 1 339 . 1 . 1 189 189 GLY H H 1 9.177 0.02 . 1 . . . . . 843 G HN . 50459 1 340 . 1 . 1 189 189 GLY N N 15 114.758 0.1 . 1 . . . . . 843 G N . 50459 1 341 . 1 . 1 190 190 GLU H H 1 7.798 0.02 . 1 . . . . . 844 E HN . 50459 1 342 . 1 . 1 190 190 GLU N N 15 124.634 0.1 . 1 . . . . . 844 E N . 50459 1 343 . 1 . 1 191 191 CYS H H 1 9.137 0.02 . 1 . . . . . 845 C HN . 50459 1 344 . 1 . 1 191 191 CYS N N 15 118.237 0.1 . 1 . . . . . 845 C N . 50459 1 345 . 1 . 1 192 192 GLN H H 1 8.470 0.02 . 1 . . . . . 846 Q HN . 50459 1 346 . 1 . 1 192 192 GLN N N 15 119.739 0.1 . 1 . . . . . 846 Q N . 50459 1 347 . 1 . 1 193 193 ARG H H 1 7.579 0.02 . 1 . . . . . 847 R HN . 50459 1 348 . 1 . 1 193 193 ARG N N 15 120.405 0.1 . 1 . . . . . 847 R N . 50459 1 349 . 1 . 1 194 194 TYR H H 1 8.187 0.02 . 1 . . . . . 848 Y HN . 50459 1 350 . 1 . 1 194 194 TYR N N 15 118.335 0.1 . 1 . . . . . 848 Y N . 50459 1 351 . 1 . 1 195 195 LYS H H 1 7.239 0.02 . 1 . . . . . 849 K HN . 50459 1 352 . 1 . 1 195 195 LYS N N 15 118.103 0.1 . 1 . . . . . 849 K N . 50459 1 353 . 1 . 1 197 197 PHE H H 1 8.156 0.02 . 1 . . . . . 851 F HN . 50459 1 354 . 1 . 1 197 197 PHE N N 15 115.867 0.1 . 1 . . . . . 851 F N . 50459 1 355 . 1 . 1 198 198 LYS H H 1 7.342 0.02 . 1 . . . . . 852 K HN . 50459 1 356 . 1 . 1 198 198 LYS N N 15 119.971 0.1 . 1 . . . . . 852 K N . 50459 1 357 . 1 . 1 199 199 GLN H H 1 7.021 0.02 . 1 . . . . . 853 Q HN . 50459 1 358 . 1 . 1 199 199 GLN N N 15 110.735 0.1 . 1 . . . . . 853 Q N . 50459 1 359 . 1 . 1 200 200 LEU H H 1 7.580 0.02 . 1 . . . . . 854 L HN . 50459 1 360 . 1 . 1 200 200 LEU N N 15 124.080 0.1 . 1 . . . . . 854 L N . 50459 1 361 . 1 . 1 201 201 HIS H H 1 7.805 0.02 . 1 . . . . . 855 H HN . 50459 1 362 . 1 . 1 201 201 HIS N N 15 118.199 0.1 . 1 . . . . . 855 H N . 50459 1 363 . 1 . 1 202 202 ASN H H 1 8.675 0.02 . 1 . . . . . 856 N HN . 50459 1 364 . 1 . 1 202 202 ASN N N 15 112.817 0.1 . 1 . . . . . 856 N N . 50459 1 365 . 1 . 1 203 203 ARG H H 1 8.028 0.02 . 1 . . . . . 857 R HN . 50459 1 366 . 1 . 1 203 203 ARG N N 15 118.823 0.1 . 1 . . . . . 857 R N . 50459 1 367 . 1 . 1 204 204 ARG H H 1 8.427 0.02 . 1 . . . . . 858 R HN . 50459 1 368 . 1 . 1 204 204 ARG N N 15 121.832 0.1 . 1 . . . . . 858 R N . 50459 1 369 . 1 . 1 205 205 LEU H H 1 8.123 0.02 . 1 . . . . . 859 L HN . 50459 1 370 . 1 . 1 205 205 LEU N N 15 125.211 0.1 . 1 . . . . . 859 L N . 50459 1 371 . 1 . 1 206 206 LEU H H 1 8.800 0.02 . 1 . . . . . 860 L HN . 50459 1 372 . 1 . 1 206 206 LEU N N 15 126.115 0.1 . 1 . . . . . 860 L N . 50459 1 373 . 1 . 1 207 207 TRP H H 1 8.648 0.02 . 1 . . . . . 861 W HN . 50459 1 374 . 1 . 1 207 207 TRP N N 15 119.526 0.1 . 1 . . . . . 861 W N . 50459 1 375 . 1 . 1 208 208 HIS H H 1 8.985 0.02 . 1 . . . . . 862 H HN . 50459 1 376 . 1 . 1 208 208 HIS N N 15 118.178 0.1 . 1 . . . . . 862 H N . 50459 1 377 . 1 . 1 210 210 SER H H 1 7.406 0.02 . 1 . . . . . 864 S HN . 50459 1 378 . 1 . 1 210 210 SER N N 15 111.818 0.1 . 1 . . . . . 864 S N . 50459 1 379 . 1 . 1 211 211 ARG H H 1 7.873 0.02 . 1 . . . . . 865 R HN . 50459 1 380 . 1 . 1 211 211 ARG N N 15 121.451 0.1 . 1 . . . . . 865 R N . 50459 1 381 . 1 . 1 212 212 THR H H 1 9.449 0.02 . 1 . . . . . 866 T HN . 50459 1 382 . 1 . 1 212 212 THR N N 15 119.560 0.1 . 1 . . . . . 866 T N . 50459 1 383 . 1 . 1 213 213 THR H H 1 7.453 0.02 . 1 . . . . . 867 T HN . 50459 1 384 . 1 . 1 213 213 THR N N 15 106.721 0.1 . 1 . . . . . 867 T N . 50459 1 385 . 1 . 1 214 214 ASN H H 1 8.035 0.02 . 1 . . . . . 868 N HN . 50459 1 386 . 1 . 1 214 214 ASN N N 15 118.082 0.1 . 1 . . . . . 868 N N . 50459 1 387 . 1 . 1 215 215 PHE H H 1 7.770 0.02 . 1 . . . . . 869 F HN . 50459 1 388 . 1 . 1 215 215 PHE N N 15 118.330 0.1 . 1 . . . . . 869 F N . 50459 1 389 . 1 . 1 216 216 ALA H H 1 9.479 0.02 . 1 . . . . . 870 A HN . 50459 1 390 . 1 . 1 216 216 ALA N N 15 125.563 0.1 . 1 . . . . . 870 A N . 50459 1 391 . 1 . 1 217 217 GLY H H 1 8.902 0.02 . 1 . . . . . 871 G HN . 50459 1 392 . 1 . 1 217 217 GLY N N 15 109.422 0.1 . 1 . . . . . 871 G N . 50459 1 393 . 1 . 1 218 218 ILE H H 1 8.216 0.02 . 1 . . . . . 872 I HN . 50459 1 394 . 1 . 1 218 218 ILE N N 15 121.953 0.1 . 1 . . . . . 872 I N . 50459 1 395 . 1 . 1 219 219 LEU H H 1 8.674 0.02 . 1 . . . . . 873 L HN . 50459 1 396 . 1 . 1 219 219 LEU N N 15 116.607 0.1 . 1 . . . . . 873 L N . 50459 1 397 . 1 . 1 220 220 SER H H 1 7.969 0.02 . 1 . . . . . 874 S HN . 50459 1 398 . 1 . 1 220 220 SER N N 15 112.378 0.1 . 1 . . . . . 874 S N . 50459 1 399 . 1 . 1 221 221 GLN H H 1 8.487 0.02 . 1 . . . . . 875 Q HN . 50459 1 400 . 1 . 1 221 221 GLN N N 15 117.369 0.1 . 1 . . . . . 875 Q N . 50459 1 401 . 1 . 1 222 222 GLY H H 1 7.967 0.02 . 1 . . . . . 876 G HN . 50459 1 402 . 1 . 1 222 222 GLY N N 15 114.015 0.1 . 1 . . . . . 876 G N . 50459 1 403 . 1 . 1 223 223 LEU H H 1 8.703 0.02 . 1 . . . . . 877 L HN . 50459 1 404 . 1 . 1 223 223 LEU N N 15 117.262 0.1 . 1 . . . . . 877 L N . 50459 1 405 . 1 . 1 224 224 ARG H H 1 8.646 0.02 . 1 . . . . . 878 R HN . 50459 1 406 . 1 . 1 224 224 ARG N N 15 124.725 0.1 . 1 . . . . . 878 R N . 50459 1 407 . 1 . 1 225 225 ILE H H 1 7.740 0.02 . 1 . . . . . 879 I HN . 50459 1 408 . 1 . 1 225 225 ILE N N 15 119.532 0.1 . 1 . . . . . 879 I N . 50459 1 409 . 1 . 1 226 226 ALA H H 1 8.373 0.02 . 1 . . . . . 880 A HN . 50459 1 410 . 1 . 1 226 226 ALA N N 15 131.311 0.1 . 1 . . . . . 880 A N . 50459 1 411 . 1 . 1 229 229 GLU H H 1 9.333 0.02 . 1 . . . . . 883 E HN . 50459 1 412 . 1 . 1 229 229 GLU N N 15 113.602 0.1 . 1 . . . . . 883 E N . 50459 1 413 . 1 . 1 230 230 ALA H H 1 7.191 0.02 . 1 . . . . . 884 A HN . 50459 1 414 . 1 . 1 230 230 ALA N N 15 120.034 0.1 . 1 . . . . . 884 A N . 50459 1 415 . 1 . 1 232 232 VAL H H 1 9.057 0.02 . 1 . . . . . 886 V HN . 50459 1 416 . 1 . 1 232 232 VAL N N 15 125.010 0.1 . 1 . . . . . 886 V N . 50459 1 417 . 1 . 1 233 233 THR H H 1 7.421 0.02 . 1 . . . . . 887 T HN . 50459 1 418 . 1 . 1 233 233 THR N N 15 109.031 0.1 . 1 . . . . . 887 T N . 50459 1 419 . 1 . 1 234 234 GLY H H 1 8.238 0.02 . 1 . . . . . 888 G HN . 50459 1 420 . 1 . 1 234 234 GLY N N 15 108.451 0.1 . 1 . . . . . 888 G N . 50459 1 421 . 1 . 1 235 235 TYR H H 1 7.315 0.02 . 1 . . . . . 889 Y HN . 50459 1 422 . 1 . 1 235 235 TYR N N 15 118.620 0.1 . 1 . . . . . 889 Y N . 50459 1 423 . 1 . 1 237 237 PHE H H 1 8.625 0.02 . 1 . . . . . 891 F HN . 50459 1 424 . 1 . 1 237 237 PHE N N 15 113.465 0.1 . 1 . . . . . 891 F N . 50459 1 425 . 1 . 1 238 238 GLY H H 1 7.889 0.02 . 1 . . . . . 892 G HN . 50459 1 426 . 1 . 1 238 238 GLY N N 15 104.914 0.1 . 1 . . . . . 892 G N . 50459 1 427 . 1 . 1 239 239 LYS H H 1 9.096 0.02 . 1 . . . . . 893 K HN . 50459 1 428 . 1 . 1 239 239 LYS N N 15 121.518 0.1 . 1 . . . . . 893 K N . 50459 1 429 . 1 . 1 240 240 GLY H H 1 7.052 0.02 . 1 . . . . . 894 G HN . 50459 1 430 . 1 . 1 240 240 GLY N N 15 110.932 0.1 . 1 . . . . . 894 G N . 50459 1 431 . 1 . 1 241 241 ILE H H 1 8.546 0.02 . 1 . . . . . 895 I HN . 50459 1 432 . 1 . 1 241 241 ILE N N 15 121.807 0.1 . 1 . . . . . 895 I N . 50459 1 433 . 1 . 1 242 242 TYR H H 1 8.781 0.02 . 1 . . . . . 896 Y HN . 50459 1 434 . 1 . 1 242 242 TYR N N 15 127.213 0.1 . 1 . . . . . 896 Y N . 50459 1 435 . 1 . 1 244 244 ALA H H 1 9.111 0.02 . 1 . . . . . 898 A HN . 50459 1 436 . 1 . 1 244 244 ALA N N 15 123.639 0.1 . 1 . . . . . 898 A N . 50459 1 437 . 1 . 1 245 245 ASP H H 1 9.265 0.02 . 1 . . . . . 899 D HN . 50459 1 438 . 1 . 1 245 245 ASP N N 15 116.985 0.1 . 1 . . . . . 899 D N . 50459 1 439 . 1 . 1 246 246 MET H H 1 7.234 0.02 . 1 . . . . . 900 M HN . 50459 1 440 . 1 . 1 246 246 MET N N 15 113.096 0.1 . 1 . . . . . 900 M N . 50459 1 441 . 1 . 1 247 247 VAL H H 1 8.304 0.02 . 1 . . . . . 901 V HN . 50459 1 442 . 1 . 1 247 247 VAL N N 15 126.723 0.1 . 1 . . . . . 901 V N . 50459 1 443 . 1 . 1 248 248 SER H H 1 6.961 0.02 . 1 . . . . . 902 S HN . 50459 1 444 . 1 . 1 248 248 SER N N 15 113.163 0.1 . 1 . . . . . 902 S N . 50459 1 445 . 1 . 1 249 249 LYS H H 1 6.687 0.02 . 1 . . . . . 903 K HN . 50459 1 446 . 1 . 1 249 249 LYS N N 15 119.575 0.1 . 1 . . . . . 903 K N . 50459 1 447 . 1 . 1 251 251 ALA H H 1 8.869 0.02 . 1 . . . . . 905 A HN . 50459 1 448 . 1 . 1 251 251 ALA N N 15 122.534 0.1 . 1 . . . . . 905 A N . 50459 1 449 . 1 . 1 252 252 ASN H H 1 7.315 0.02 . 1 . . . . . 906 N HN . 50459 1 450 . 1 . 1 252 252 ASN N N 15 116.375 0.1 . 1 . . . . . 906 N N . 50459 1 451 . 1 . 1 253 253 TYR H H 1 7.684 0.02 . 1 . . . . . 907 Y HN . 50459 1 452 . 1 . 1 253 253 TYR N N 15 116.994 0.1 . 1 . . . . . 907 Y N . 50459 1 453 . 1 . 1 254 254 CYS H H 1 7.408 0.02 . 1 . . . . . 908 C HN . 50459 1 454 . 1 . 1 254 254 CYS N N 15 116.883 0.1 . 1 . . . . . 908 C N . 50459 1 455 . 1 . 1 255 255 HIS H H 1 7.502 0.02 . 1 . . . . . 909 H HN . 50459 1 456 . 1 . 1 255 255 HIS N N 15 112.805 0.1 . 1 . . . . . 909 H N . 50459 1 457 . 1 . 1 256 256 THR H H 1 7.345 0.02 . 1 . . . . . 910 T HN . 50459 1 458 . 1 . 1 256 256 THR N N 15 108.379 0.1 . 1 . . . . . 910 T N . 50459 1 459 . 1 . 1 257 257 SER H H 1 8.046 0.02 . 1 . . . . . 911 S HN . 50459 1 460 . 1 . 1 257 257 SER N N 15 113.538 0.1 . 1 . . . . . 911 S N . 50459 1 461 . 1 . 1 258 258 GLN H H 1 8.373 0.02 . 1 . . . . . 912 Q HN . 50459 1 462 . 1 . 1 258 258 GLN N N 15 119.200 0.1 . 1 . . . . . 912 Q N . 50459 1 463 . 1 . 1 259 259 GLY H H 1 8.074 0.02 . 1 . . . . . 913 G HN . 50459 1 464 . 1 . 1 259 259 GLY N N 15 104.399 0.1 . 1 . . . . . 913 G N . 50459 1 465 . 1 . 1 260 260 ASP H H 1 7.237 0.02 . 1 . . . . . 914 D HN . 50459 1 466 . 1 . 1 260 260 ASP N N 15 119.364 0.1 . 1 . . . . . 914 D N . 50459 1 467 . 1 . 1 262 262 ILE H H 1 7.781 0.02 . 1 . . . . . 916 I HN . 50459 1 468 . 1 . 1 262 262 ILE N N 15 122.022 0.1 . 1 . . . . . 916 I N . 50459 1 469 . 1 . 1 263 263 GLY H H 1 9.098 0.02 . 1 . . . . . 917 G HN . 50459 1 470 . 1 . 1 263 263 GLY N N 15 113.633 0.1 . 1 . . . . . 917 G N . 50459 1 471 . 1 . 1 264 264 LEU H H 1 9.623 0.02 . 1 . . . . . 918 L HN . 50459 1 472 . 1 . 1 264 264 LEU N N 15 121.162 0.1 . 1 . . . . . 918 L N . 50459 1 473 . 1 . 1 265 265 ILE H H 1 8.325 0.02 . 1 . . . . . 919 I HN . 50459 1 474 . 1 . 1 265 265 ILE N N 15 114.805 0.1 . 1 . . . . . 919 I N . 50459 1 475 . 1 . 1 267 267 LEU H H 1 8.854 0.02 . 1 . . . . . 921 L HN . 50459 1 476 . 1 . 1 267 267 LEU N N 15 118.456 0.1 . 1 . . . . . 921 L N . 50459 1 477 . 1 . 1 268 268 GLY H H 1 9.519 0.02 . 1 . . . . . 922 G HN . 50459 1 478 . 1 . 1 268 268 GLY N N 15 109.782 0.1 . 1 . . . . . 922 G N . 50459 1 479 . 1 . 1 269 269 GLU H H 1 8.859 0.02 . 1 . . . . . 923 E HN . 50459 1 480 . 1 . 1 269 269 GLU N N 15 126.070 0.1 . 1 . . . . . 923 E N . 50459 1 481 . 1 . 1 270 270 VAL H H 1 8.772 0.02 . 1 . . . . . 924 V HN . 50459 1 482 . 1 . 1 270 270 VAL N N 15 127.193 0.1 . 1 . . . . . 924 V N . 50459 1 483 . 1 . 1 271 271 ALA H H 1 8.262 0.02 . 1 . . . . . 925 A HN . 50459 1 484 . 1 . 1 271 271 ALA N N 15 130.524 0.1 . 1 . . . . . 925 A N . 50459 1 485 . 1 . 1 272 272 LEU H H 1 7.710 0.02 . 1 . . . . . 926 L HN . 50459 1 486 . 1 . 1 272 272 LEU N N 15 123.415 0.1 . 1 . . . . . 926 L N . 50459 1 487 . 1 . 1 273 273 GLY H H 1 7.328 0.02 . 1 . . . . . 927 G HN . 50459 1 488 . 1 . 1 273 273 GLY N N 15 104.679 0.1 . 1 . . . . . 927 G N . 50459 1 489 . 1 . 1 274 274 ASN H H 1 11.694 0.02 . 1 . . . . . 928 N HN . 50459 1 490 . 1 . 1 274 274 ASN N N 15 128.347 0.1 . 1 . . . . . 928 N N . 50459 1 491 . 1 . 1 275 275 MET H H 1 8.944 0.02 . 1 . . . . . 929 M HN . 50459 1 492 . 1 . 1 275 275 MET N N 15 125.750 0.1 . 1 . . . . . 929 M N . 50459 1 493 . 1 . 1 276 276 TYR H H 1 9.749 0.02 . 1 . . . . . 930 Y HN . 50459 1 494 . 1 . 1 276 276 TYR N N 15 128.572 0.1 . 1 . . . . . 930 Y N . 50459 1 495 . 1 . 1 277 277 GLU H H 1 8.755 0.02 . 1 . . . . . 931 E HN . 50459 1 496 . 1 . 1 277 277 GLU N N 15 128.554 0.1 . 1 . . . . . 931 E N . 50459 1 497 . 1 . 1 278 278 LEU H H 1 8.771 0.02 . 1 . . . . . 932 L HN . 50459 1 498 . 1 . 1 278 278 LEU N N 15 124.916 0.1 . 1 . . . . . 932 L N . 50459 1 499 . 1 . 1 279 279 LYS H H 1 8.607 0.02 . 1 . . . . . 933 K HN . 50459 1 500 . 1 . 1 279 279 LYS N N 15 117.871 0.1 . 1 . . . . . 933 K N . 50459 1 501 . 1 . 1 280 280 HIS H H 1 7.219 0.02 . 1 . . . . . 934 H HN . 50459 1 502 . 1 . 1 280 280 HIS N N 15 112.851 0.1 . 1 . . . . . 934 H N . 50459 1 503 . 1 . 1 281 281 ALA H H 1 8.516 0.02 . 1 . . . . . 935 A HN . 50459 1 504 . 1 . 1 281 281 ALA N N 15 122.212 0.1 . 1 . . . . . 935 A N . 50459 1 505 . 1 . 1 282 282 SER H H 1 6.923 0.02 . 1 . . . . . 936 S HN . 50459 1 506 . 1 . 1 282 282 SER N N 15 116.304 0.1 . 1 . . . . . 936 S N . 50459 1 507 . 1 . 1 284 284 ILE H H 1 7.075 0.02 . 1 . . . . . 938 I HN . 50459 1 508 . 1 . 1 284 284 ILE N N 15 127.163 0.1 . 1 . . . . . 938 I N . 50459 1 509 . 1 . 1 285 285 SER H H 1 8.746 0.02 . 1 . . . . . 939 S HN . 50459 1 510 . 1 . 1 285 285 SER N N 15 119.865 0.1 . 1 . . . . . 939 S N . 50459 1 511 . 1 . 1 286 286 LYS H H 1 7.442 0.02 . 1 . . . . . 940 K HN . 50459 1 512 . 1 . 1 286 286 LYS N N 15 120.857 0.1 . 1 . . . . . 940 K N . 50459 1 513 . 1 . 1 287 287 LEU H H 1 8.563 0.02 . 1 . . . . . 941 L HN . 50459 1 514 . 1 . 1 287 287 LEU N N 15 125.517 0.1 . 1 . . . . . 941 L N . 50459 1 515 . 1 . 1 289 289 LYS H H 1 8.166 0.02 . 1 . . . . . 943 K HN . 50459 1 516 . 1 . 1 289 289 LYS N N 15 121.846 0.1 . 1 . . . . . 943 K N . 50459 1 517 . 1 . 1 290 290 GLY H H 1 8.784 0.02 . 1 . . . . . 944 G HN . 50459 1 518 . 1 . 1 290 290 GLY N N 15 113.594 0.1 . 1 . . . . . 944 G N . 50459 1 519 . 1 . 1 291 291 LYS H H 1 7.489 0.02 . 1 . . . . . 945 K HN . 50459 1 520 . 1 . 1 291 291 LYS N N 15 116.299 0.1 . 1 . . . . . 945 K N . 50459 1 521 . 1 . 1 292 292 HIS H H 1 9.619 0.02 . 1 . . . . . 946 H HN . 50459 1 522 . 1 . 1 292 292 HIS N N 15 117.766 0.1 . 1 . . . . . 946 H N . 50459 1 523 . 1 . 1 293 293 SER H H 1 8.272 0.02 . 1 . . . . . 947 S HN . 50459 1 524 . 1 . 1 293 293 SER N N 15 113.863 0.1 . 1 . . . . . 947 S N . 50459 1 525 . 1 . 1 294 294 VAL H H 1 9.312 0.02 . 1 . . . . . 948 V HN . 50459 1 526 . 1 . 1 294 294 VAL N N 15 120.618 0.1 . 1 . . . . . 948 V N . 50459 1 527 . 1 . 1 295 295 LYS H H 1 8.171 0.02 . 1 . . . . . 949 K HN . 50459 1 528 . 1 . 1 295 295 LYS N N 15 125.752 0.1 . 1 . . . . . 949 K N . 50459 1 529 . 1 . 1 296 296 GLY H H 1 9.465 0.02 . 1 . . . . . 950 G HN . 50459 1 530 . 1 . 1 296 296 GLY N N 15 115.801 0.1 . 1 . . . . . 950 G N . 50459 1 531 . 1 . 1 297 297 LEU H H 1 8.536 0.02 . 1 . . . . . 951 L HN . 50459 1 532 . 1 . 1 297 297 LEU N N 15 125.102 0.1 . 1 . . . . . 951 L N . 50459 1 533 . 1 . 1 298 298 GLY H H 1 9.003 0.02 . 1 . . . . . 952 G HN . 50459 1 534 . 1 . 1 298 298 GLY N N 15 109.477 0.1 . 1 . . . . . 952 G N . 50459 1 535 . 1 . 1 299 299 LYS H H 1 7.808 0.02 . 1 . . . . . 953 K HN . 50459 1 536 . 1 . 1 299 299 LYS N N 15 121.125 0.1 . 1 . . . . . 953 K N . 50459 1 537 . 1 . 1 300 300 THR H H 1 7.720 0.02 . 1 . . . . . 954 T HN . 50459 1 538 . 1 . 1 300 300 THR N N 15 116.677 0.1 . 1 . . . . . 954 T N . 50459 1 539 . 1 . 1 301 301 THR H H 1 9.249 0.02 . 1 . . . . . 955 T HN . 50459 1 540 . 1 . 1 301 301 THR N N 15 121.060 0.1 . 1 . . . . . 955 T N . 50459 1 541 . 1 . 1 303 303 ASP H H 1 8.612 0.02 . 1 . . . . . 957 D HN . 50459 1 542 . 1 . 1 303 303 ASP N N 15 126.312 0.1 . 1 . . . . . 957 D N . 50459 1 543 . 1 . 1 305 305 SER H H 1 8.516 0.02 . 1 . . . . . 959 S HN . 50459 1 544 . 1 . 1 305 305 SER N N 15 115.287 0.1 . 1 . . . . . 959 S N . 50459 1 545 . 1 . 1 306 306 ALA H H 1 7.609 0.02 . 1 . . . . . 960 A HN . 50459 1 546 . 1 . 1 306 306 ALA N N 15 123.614 0.1 . 1 . . . . . 960 A N . 50459 1 547 . 1 . 1 307 307 ASN H H 1 7.142 0.02 . 1 . . . . . 961 N HN . 50459 1 548 . 1 . 1 307 307 ASN N N 15 116.707 0.1 . 1 . . . . . 961 N N . 50459 1 549 . 1 . 1 308 308 ILE H H 1 7.864 0.02 . 1 . . . . . 962 I HN . 50459 1 550 . 1 . 1 308 308 ILE N N 15 116.853 0.1 . 1 . . . . . 962 I N . 50459 1 551 . 1 . 1 309 309 SER H H 1 8.259 0.02 . 1 . . . . . 963 S HN . 50459 1 552 . 1 . 1 309 309 SER N N 15 115.741 0.1 . 1 . . . . . 963 S N . 50459 1 553 . 1 . 1 310 310 LEU H H 1 9.253 0.02 . 1 . . . . . 964 L HN . 50459 1 554 . 1 . 1 310 310 LEU N N 15 128.868 0.1 . 1 . . . . . 964 L N . 50459 1 555 . 1 . 1 311 311 ASP H H 1 9.378 0.02 . 1 . . . . . 965 D HN . 50459 1 556 . 1 . 1 311 311 ASP N N 15 128.178 0.1 . 1 . . . . . 965 D N . 50459 1 557 . 1 . 1 312 312 GLY H H 1 8.097 0.02 . 1 . . . . . 966 G HN . 50459 1 558 . 1 . 1 312 312 GLY N N 15 102.495 0.1 . 1 . . . . . 966 G N . 50459 1 559 . 1 . 1 313 313 VAL H H 1 7.527 0.02 . 1 . . . . . 967 V HN . 50459 1 560 . 1 . 1 313 313 VAL N N 15 121.738 0.1 . 1 . . . . . 967 V N . 50459 1 561 . 1 . 1 314 314 ASP H H 1 8.347 0.02 . 1 . . . . . 968 D HN . 50459 1 562 . 1 . 1 314 314 ASP N N 15 126.721 0.1 . 1 . . . . . 968 D N . 50459 1 563 . 1 . 1 315 315 VAL H H 1 9.132 0.02 . 1 . . . . . 969 V HN . 50459 1 564 . 1 . 1 315 315 VAL N N 15 123.579 0.1 . 1 . . . . . 969 V N . 50459 1 565 . 1 . 1 317 317 LEU H H 1 6.877 0.02 . 1 . . . . . 971 L HN . 50459 1 566 . 1 . 1 317 317 LEU N N 15 111.433 0.1 . 1 . . . . . 971 L N . 50459 1 567 . 1 . 1 318 318 GLY H H 1 8.704 0.02 . 1 . . . . . 972 G HN . 50459 1 568 . 1 . 1 318 318 GLY N N 15 106.371 0.1 . 1 . . . . . 972 G N . 50459 1 569 . 1 . 1 319 319 THR H H 1 7.692 0.02 . 1 . . . . . 973 T HN . 50459 1 570 . 1 . 1 319 319 THR N N 15 108.200 0.1 . 1 . . . . . 973 T N . 50459 1 571 . 1 . 1 320 320 GLY H H 1 8.387 0.02 . 1 . . . . . 974 G HN . 50459 1 572 . 1 . 1 320 320 GLY N N 15 108.556 0.1 . 1 . . . . . 974 G N . 50459 1 573 . 1 . 1 321 321 ILE H H 1 9.351 0.02 . 1 . . . . . 975 I HN . 50459 1 574 . 1 . 1 321 321 ILE N N 15 122.783 0.1 . 1 . . . . . 975 I N . 50459 1 575 . 1 . 1 322 322 SER H H 1 8.509 0.02 . 1 . . . . . 976 S HN . 50459 1 576 . 1 . 1 322 322 SER N N 15 115.049 0.1 . 1 . . . . . 976 S N . 50459 1 577 . 1 . 1 323 323 SER H H 1 8.837 0.02 . 1 . . . . . 977 S HN . 50459 1 578 . 1 . 1 323 323 SER N N 15 122.539 0.1 . 1 . . . . . 977 S N . 50459 1 579 . 1 . 1 324 324 GLY H H 1 8.459 0.02 . 1 . . . . . 978 G HN . 50459 1 580 . 1 . 1 324 324 GLY N N 15 110.563 0.1 . 1 . . . . . 978 G N . 50459 1 581 . 1 . 1 325 325 VAL H H 1 7.731 0.02 . 1 . . . . . 979 V HN . 50459 1 582 . 1 . 1 325 325 VAL N N 15 121.548 0.1 . 1 . . . . . 979 V N . 50459 1 583 . 1 . 1 326 326 ASN H H 1 8.588 0.02 . 1 . . . . . 980 N HN . 50459 1 584 . 1 . 1 326 326 ASN N N 15 124.065 0.1 . 1 . . . . . 980 N N . 50459 1 585 . 1 . 1 327 327 ASP H H 1 8.944 0.02 . 1 . . . . . 981 D HN . 50459 1 586 . 1 . 1 327 327 ASP N N 15 119.478 0.1 . 1 . . . . . 981 D N . 50459 1 587 . 1 . 1 328 328 THR H H 1 6.986 0.02 . 1 . . . . . 982 T HN . 50459 1 588 . 1 . 1 328 328 THR N N 15 109.563 0.1 . 1 . . . . . 982 T N . 50459 1 589 . 1 . 1 329 329 SER H H 1 8.460 0.02 . 1 . . . . . 983 S HN . 50459 1 590 . 1 . 1 329 329 SER N N 15 120.635 0.1 . 1 . . . . . 983 S N . 50459 1 591 . 1 . 1 330 330 LEU H H 1 8.231 0.02 . 1 . . . . . 984 L HN . 50459 1 592 . 1 . 1 330 330 LEU N N 15 125.420 0.1 . 1 . . . . . 984 L N . 50459 1 593 . 1 . 1 331 331 LEU H H 1 8.882 0.02 . 1 . . . . . 985 L HN . 50459 1 594 . 1 . 1 331 331 LEU N N 15 123.836 0.1 . 1 . . . . . 985 L N . 50459 1 595 . 1 . 1 332 332 TYR H H 1 7.291 0.02 . 1 . . . . . 986 Y HN . 50459 1 596 . 1 . 1 332 332 TYR N N 15 113.997 0.1 . 1 . . . . . 986 Y N . 50459 1 597 . 1 . 1 333 333 ASN H H 1 10.493 0.02 . 1 . . . . . 987 N HN . 50459 1 598 . 1 . 1 333 333 ASN N N 15 119.386 0.1 . 1 . . . . . 987 N N . 50459 1 599 . 1 . 1 336 336 ILE H H 1 9.232 0.02 . 1 . . . . . 990 I HN . 50459 1 600 . 1 . 1 336 336 ILE N N 15 123.113 0.1 . 1 . . . . . 990 I N . 50459 1 601 . 1 . 1 337 337 VAL H H 1 7.734 0.02 . 1 . . . . . 991 V HN . 50459 1 602 . 1 . 1 337 337 VAL N N 15 113.188 0.1 . 1 . . . . . 991 V N . 50459 1 603 . 1 . 1 338 338 TYR H H 1 9.029 0.02 . 1 . . . . . 992 Y HN . 50459 1 604 . 1 . 1 338 338 TYR N N 15 118.188 0.1 . 1 . . . . . 992 Y N . 50459 1 605 . 1 . 1 339 339 ASP H H 1 6.820 0.02 . 1 . . . . . 993 D HN . 50459 1 606 . 1 . 1 339 339 ASP N N 15 119.833 0.1 . 1 . . . . . 993 D N . 50459 1 607 . 1 . 1 340 340 ILE H H 1 8.470 0.02 . 1 . . . . . 994 I HN . 50459 1 608 . 1 . 1 340 340 ILE N N 15 120.980 0.1 . 1 . . . . . 994 I N . 50459 1 609 . 1 . 1 341 341 ALA H H 1 9.177 0.02 . 1 . . . . . 995 A HN . 50459 1 610 . 1 . 1 341 341 ALA N N 15 123.260 0.1 . 1 . . . . . 995 A N . 50459 1 611 . 1 . 1 342 342 GLN H H 1 7.108 0.02 . 1 . . . . . 996 Q HN . 50459 1 612 . 1 . 1 342 342 GLN N N 15 113.147 0.1 . 1 . . . . . 996 Q N . 50459 1 613 . 1 . 1 343 343 VAL H H 1 6.736 0.02 . 1 . . . . . 997 V HN . 50459 1 614 . 1 . 1 343 343 VAL N N 15 115.882 0.1 . 1 . . . . . 997 V N . 50459 1 615 . 1 . 1 344 344 ASN H H 1 8.736 0.02 . 1 . . . . . 998 N HN . 50459 1 616 . 1 . 1 344 344 ASN N N 15 125.199 0.1 . 1 . . . . . 998 N N . 50459 1 617 . 1 . 1 345 345 LEU H H 1 10.250 0.02 . 1 . . . . . 999 L HN . 50459 1 618 . 1 . 1 345 345 LEU N N 15 129.085 0.1 . 1 . . . . . 999 L N . 50459 1 619 . 1 . 1 346 346 LYS H H 1 8.213 0.02 . 1 . . . . . 1000 K HN . 50459 1 620 . 1 . 1 346 346 LYS N N 15 118.196 0.1 . 1 . . . . . 1000 K N . 50459 1 621 . 1 . 1 347 347 TYR H H 1 8.333 0.02 . 1 . . . . . 1001 Y HN . 50459 1 622 . 1 . 1 347 347 TYR N N 15 113.057 0.1 . 1 . . . . . 1001 Y N . 50459 1 623 . 1 . 1 348 348 LEU H H 1 9.426 0.02 . 1 . . . . . 1002 L HN . 50459 1 624 . 1 . 1 348 348 LEU N N 15 123.715 0.1 . 1 . . . . . 1002 L N . 50459 1 625 . 1 . 1 349 349 LEU H H 1 9.793 0.02 . 1 . . . . . 1003 L HN . 50459 1 626 . 1 . 1 349 349 LEU N N 15 127.735 0.1 . 1 . . . . . 1003 L N . 50459 1 627 . 1 . 1 350 350 LYS H H 1 8.663 0.02 . 1 . . . . . 1004 K HN . 50459 1 628 . 1 . 1 350 350 LYS N N 15 121.837 0.1 . 1 . . . . . 1004 K N . 50459 1 629 . 1 . 1 351 351 LEU H H 1 9.358 0.02 . 1 . . . . . 1005 L HN . 50459 1 630 . 1 . 1 351 351 LEU N N 15 127.951 0.1 . 1 . . . . . 1005 L N . 50459 1 631 . 1 . 1 352 352 LYS H H 1 9.155 0.02 . 1 . . . . . 1006 K HN . 50459 1 632 . 1 . 1 352 352 LYS N N 15 122.227 0.1 . 1 . . . . . 1006 K N . 50459 1 633 . 1 . 1 353 353 PHE H H 1 9.262 0.02 . 1 . . . . . 1007 F HN . 50459 1 634 . 1 . 1 353 353 PHE N N 15 127.953 0.1 . 1 . . . . . 1007 F N . 50459 1 635 . 1 . 1 354 354 ASN H H 1 8.707 0.02 . 1 . . . . . 1008 N HN . 50459 1 636 . 1 . 1 354 354 ASN N N 15 122.488 0.1 . 1 . . . . . 1008 N N . 50459 1 637 . 1 . 1 355 355 PHE H H 1 8.685 0.02 . 1 . . . . . 1009 F HN . 50459 1 638 . 1 . 1 355 355 PHE N N 15 124.833 0.1 . 1 . . . . . 1009 F N . 50459 1 639 . 1 . 1 356 356 LYS H H 1 8.454 0.02 . 1 . . . . . 1010 K HN . 50459 1 640 . 1 . 1 356 356 LYS N N 15 122.925 0.1 . 1 . . . . . 1010 K N . 50459 1 641 . 1 . 1 357 357 THR H H 1 8.272 0.02 . 1 . . . . . 1011 T HN . 50459 1 642 . 1 . 1 357 357 THR N N 15 114.619 0.1 . 1 . . . . . 1011 T N . 50459 1 643 . 1 . 1 358 358 SER H H 1 8.252 0.02 . 1 . . . . . 1012 S HN . 50459 1 644 . 1 . 1 358 358 SER N N 15 117.864 0.1 . 1 . . . . . 1012 S N . 50459 1 645 . 1 . 1 359 359 LEU H H 1 8.119 0.02 . 1 . . . . . 1013 L HN . 50459 1 646 . 1 . 1 359 359 LEU N N 15 124.288 0.1 . 1 . . . . . 1013 L N . 50459 1 647 . 1 . 1 360 360 TRP H H 1 7.502 0.02 . 1 . . . . . 1014 W HN . 50459 1 648 . 1 . 1 360 360 TRP N N 15 125.401 0.1 . 1 . . . . . 1014 W N . 50459 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 50459 _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 . 50459 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 -0.499 0.007 . . . 657 VAL N . 657 VAL H 50459 1 2 . 1 1 4 4 ASN N N 15 . 1 1 4 4 ASN H H 1 0.632 0.028 . . . 658 ASN N . 658 ASN H 50459 1 3 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.087 0.030 . . . 660 GLY N . 660 GLY H 50459 1 4 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.320 0.006 . . . 661 THR N . 661 THR H 50459 1 5 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.495 0.007 . . . 662 LYS N . 662 LYS H 50459 1 6 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.495 0.015 . . . 663 SER N . 663 SER H 50459 1 7 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.583 0.015 . . . 664 LYS N . 664 LYS H 50459 1 8 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.349 0.015 . . . 665 LEU N . 665 LEU H 50459 1 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.869 0.022 . . . 669 VAL N . 669 VAL H 50459 1 10 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.936 0.043 . . . 670 GLN N . 670 GLN H 50459 1 11 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.863 0.021 . . . 671 ASP N . 671 ASP H 50459 1 12 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.889 0.022 . . . 672 LEU N . 672 LEU H 50459 1 13 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.779 0.024 . . . 673 ILE N . 673 ILE H 50459 1 14 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.849 0.018 . . . 674 LYS N . 674 LYS H 50459 1 15 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.705 0.013 . . . 675 MET N . 675 MET H 50459 1 16 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.859 0.051 . . . 676 ILE N . 676 ILE H 50459 1 17 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.730 0.021 . . . 677 PHE N . 677 PHE H 50459 1 18 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.286 0.009 . . . 678 ASP N . 678 ASP H 50459 1 19 . 1 1 25 25 VAL N N 15 . 1 1 25 25 VAL H H 1 0.676 0.019 . . . 679 VAL N . 679 VAL H 50459 1 20 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.720 0.016 . . . 680 GLU N . 680 GLU H 50459 1 21 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.658 0.014 . . . 681 SER N . 681 SER H 50459 1 22 . 1 1 28 28 MET N N 15 . 1 1 28 28 MET H H 1 0.748 0.028 . . . 682 MET N . 682 MET H 50459 1 23 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.781 0.014 . . . 683 LYS N . 683 LYS H 50459 1 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.801 0.011 . . . 684 LYS N . 684 LYS H 50459 1 25 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.830 0.013 . . . 685 ALA N . 685 ALA H 50459 1 26 . 1 1 32 32 MET N N 15 . 1 1 32 32 MET H H 1 0.713 0.019 . . . 686 MET N . 686 MET H 50459 1 27 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.713 0.020 . . . 687 VAL N . 687 VAL H 50459 1 28 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.737 0.015 . . . 688 GLU N . 688 GLU H 50459 1 29 . 1 1 35 35 TYR N N 15 . 1 1 35 35 TYR H H 1 0.808 0.017 . . . 689 TYR N . 689 TYR H 50459 1 30 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.878 0.024 . . . 690 GLU N . 690 GLU H 50459 1 31 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.661 0.019 . . . 691 ILE N . 691 ILE H 50459 1 32 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.705 0.026 . . . 692 ASP N . 692 ASP H 50459 1 33 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.748 0.022 . . . 693 LEU N . 693 LEU H 50459 1 34 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.669 0.012 . . . 694 GLN N . 694 GLN H 50459 1 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.776 0.022 . . . 695 LYS N . 695 LYS H 50459 1 36 . 1 1 42 42 MET N N 15 . 1 1 42 42 MET H H 1 0.726 0.012 . . . 696 MET N . 696 MET H 50459 1 37 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.868 0.059 . . . 698 LEU N . 698 LEU H 50459 1 38 . 1 1 46 46 LYS N N 15 . 1 1 46 46 LYS H H 1 0.728 0.028 . . . 700 LYS N . 700 LYS H 50459 1 39 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.821 0.059 . . . 704 ARG N . 704 ARG H 50459 1 40 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 0.885 0.022 . . . 705 GLN N . 705 GLN H 50459 1 41 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.743 0.025 . . . 706 ILE N . 706 ILE H 50459 1 42 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.835 0.051 . . . 707 GLN N . 707 GLN H 50459 1 43 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.664 0.015 . . . 708 ALA N . 708 ALA H 50459 1 44 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.976 0.052 . . . 709 ALA N . 709 ALA H 50459 1 45 . 1 1 56 56 TYR N N 15 . 1 1 56 56 TYR H H 1 0.841 0.028 . . . 710 TYR N . 710 TYR H 50459 1 46 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.791 0.024 . . . 711 SER N . 711 SER H 50459 1 47 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.619 0.036 . . . 712 ILE N . 712 ILE H 50459 1 48 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.883 0.020 . . . 713 LEU N . 713 LEU H 50459 1 49 . 1 1 60 60 SER N N 15 . 1 1 60 60 SER H H 1 0.722 0.014 . . . 714 SER N . 714 SER H 50459 1 50 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.849 0.018 . . . 715 GLU N . 715 GLU H 50459 1 51 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.734 0.020 . . . 716 VAL N . 716 VAL H 50459 1 52 . 1 1 63 63 GLN N N 15 . 1 1 63 63 GLN H H 1 0.694 0.014 . . . 717 GLN N . 717 GLN H 50459 1 53 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.737 0.008 . . . 718 GLN N . 718 GLN H 50459 1 54 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.858 0.013 . . . 719 ALA N . 719 ALA H 50459 1 55 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.660 0.013 . . . 720 VAL N . 720 VAL H 50459 1 56 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.704 0.013 . . . 721 SER N . 721 SER H 50459 1 57 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.657 0.009 . . . 722 GLN N . 722 GLN H 50459 1 58 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.471 0.008 . . . 723 GLY N . 723 GLY H 50459 1 59 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.430 0.003 . . . 724 SER N . 724 SER H 50459 1 60 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.352 0.007 . . . 725 SER N . 725 SER H 50459 1 61 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.646 0.019 . . . 726 ASP N . 726 ASP H 50459 1 62 . 1 1 73 73 SER N N 15 . 1 1 73 73 SER H H 1 0.822 0.013 . . . 727 SER N . 727 SER H 50459 1 63 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.710 0.012 . . . 728 GLN N . 728 GLN H 50459 1 64 . 1 1 75 75 ILE N N 15 . 1 1 75 75 ILE H H 1 0.779 0.014 . . . 729 ILE N . 729 ILE H 50459 1 65 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.699 0.014 . . . 730 LEU N . 730 LEU H 50459 1 66 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.789 0.017 . . . 731 ASP N . 731 ASP H 50459 1 67 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.738 0.018 . . . 732 LEU N . 732 LEU H 50459 1 68 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.325 0.017 . . . 733 SER N . 733 SER H 50459 1 69 . 1 1 80 80 ASN N N 15 . 1 1 80 80 ASN H H 1 0.761 0.014 . . . 734 ASN N . 734 ASN H 50459 1 70 . 1 1 81 81 ARG N N 15 . 1 1 81 81 ARG H H 1 0.843 0.017 . . . 735 ARG N . 735 ARG H 50459 1 71 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.673 0.011 . . . 736 PHE N . 736 PHE H 50459 1 72 . 1 1 83 83 TYR N N 15 . 1 1 83 83 TYR H H 1 0.444 0.014 . . . 737 TYR N . 737 TYR H 50459 1 73 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 0.765 0.016 . . . 738 THR N . 738 THR H 50459 1 74 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.846 0.018 . . . 739 LEU N . 739 LEU H 50459 1 75 . 1 1 86 86 ILE N N 15 . 1 1 86 86 ILE H H 1 0.689 0.013 . . . 740 ILE N . 740 ILE H 50459 1 76 . 1 1 88 88 HIS N N 15 . 1 1 88 88 HIS H H 1 0.870 0.040 . . . 742 HIS N . 742 HIS H 50459 1 77 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.778 0.022 . . . 743 ASP N . 743 ASP H 50459 1 78 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.224 0.010 . . . 744 PHE N . 744 PHE H 50459 1 79 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.460 0.007 . . . 745 GLY N . 745 GLY H 50459 1 80 . 1 1 92 92 MET N N 15 . 1 1 92 92 MET H H 1 1.115 0.123 . . . 746 MET N . 746 MET H 50459 1 81 . 1 1 93 93 LYS N N 15 . 1 1 93 93 LYS H H 1 0.403 0.006 . . . 747 LYS N . 747 LYS H 50459 1 82 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.203 0.006 . . . 748 LYS N . 748 LYS H 50459 1 83 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.497 0.011 . . . 751 LEU N . 751 LEU H 50459 1 84 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.642 0.026 . . . 752 LEU N . 752 LEU H 50459 1 85 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 0.741 0.012 . . . 753 ASN N . 753 ASN H 50459 1 86 . 1 1 100 100 ASN N N 15 . 1 1 100 100 ASN H H 1 0.691 0.009 . . . 754 ASN N . 754 ASN H 50459 1 87 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 1.101 0.138 . . . 755 ALA N . 755 ALA H 50459 1 88 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.647 0.010 . . . 756 ASP N . 756 ASP H 50459 1 89 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.650 0.011 . . . 757 SER N . 757 SER H 50459 1 90 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.909 0.025 . . . 758 VAL N . 758 VAL H 50459 1 91 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.818 0.024 . . . 759 GLN N . 759 GLN H 50459 1 92 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.915 0.015 . . . 760 ALA N . 760 ALA H 50459 1 93 . 1 1 107 107 LYS N N 15 . 1 1 107 107 LYS H H 1 0.694 0.033 . . . 761 LYS N . 761 LYS H 50459 1 94 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.798 0.017 . . . 762 ALA N . 762 ALA H 50459 1 95 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 0.830 0.023 . . . 763 GLU N . 763 GLU H 50459 1 96 . 1 1 110 110 MET N N 15 . 1 1 110 110 MET H H 1 0.824 0.054 . . . 764 MET N . 764 MET H 50459 1 97 . 1 1 111 111 PHE N N 15 . 1 1 111 111 PHE H H 1 0.924 0.024 . . . 765 PHE N . 765 PHE H 50459 1 98 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.784 0.083 . . . 766 ASP N . 766 ASP H 50459 1 99 . 1 1 113 113 ASN N N 15 . 1 1 113 113 ASN H H 1 0.745 0.021 . . . 767 ASN N . 767 ASN H 50459 1 100 . 1 1 114 114 LEU N N 15 . 1 1 114 114 LEU H H 1 0.888 0.034 . . . 768 LEU N . 768 LEU H 50459 1 101 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.811 0.015 . . . 769 LEU N . 769 LEU H 50459 1 102 . 1 1 116 116 ASP N N 15 . 1 1 116 116 ASP H H 1 0.780 0.018 . . . 770 ASP N . 770 ASP H 50459 1 103 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 0.951 0.041 . . . 771 ILE N . 771 ILE H 50459 1 104 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.909 0.037 . . . 772 GLU N . 772 GLU H 50459 1 105 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.828 0.019 . . . 774 ALA N . 774 ALA H 50459 1 106 . 1 1 121 121 TYR N N 15 . 1 1 121 121 TYR H H 1 0.930 0.029 . . . 775 TYR N . 775 TYR H 50459 1 107 . 1 1 122 122 SER N N 15 . 1 1 122 122 SER H H 1 0.686 0.029 . . . 776 SER N . 776 SER H 50459 1 108 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.838 0.022 . . . 777 LEU N . 777 LEU H 50459 1 109 . 1 1 124 124 LEU N N 15 . 1 1 124 124 LEU H H 1 0.674 0.008 . . . 778 LEU N . 778 LEU H 50459 1 110 . 1 1 125 125 ARG N N 15 . 1 1 125 125 ARG H H 1 0.656 0.010 . . . 779 ARG N . 779 ARG H 50459 1 111 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.550 0.011 . . . 780 GLY N . 780 GLY H 50459 1 112 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.385 0.010 . . . 781 GLY N . 781 GLY H 50459 1 113 . 1 1 128 128 SER N N 15 . 1 1 128 128 SER H H 1 0.733 0.019 . . . 782 SER N . 782 SER H 50459 1 114 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.397 0.012 . . . 783 ASP N . 783 ASP H 50459 1 115 . 1 1 130 130 ASP N N 15 . 1 1 130 130 ASP H H 1 0.263 0.004 . . . 784 ASP N . 784 ASP H 50459 1 116 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.582 0.027 . . . 785 SER N . 785 SER H 50459 1 117 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.484 0.020 . . . 786 SER N . 786 SER H 50459 1 118 . 1 1 133 133 LYS N N 15 . 1 1 133 133 LYS H H 1 0.441 0.006 . . . 787 LYS N . 787 LYS H 50459 1 119 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.600 0.012 . . . 788 ASP N . 788 ASP H 50459 1 120 . 1 1 136 136 ILE N N 15 . 1 1 136 136 ILE H H 1 0.719 0.017 . . . 790 ILE N . 790 ILE H 50459 1 121 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.678 0.021 . . . 791 ASP N . 791 ASP H 50459 1 122 . 1 1 138 138 VAL N N 15 . 1 1 138 138 VAL H H 1 0.411 0.009 . . . 792 VAL N . 792 VAL H 50459 1 123 . 1 1 139 139 ASN N N 15 . 1 1 139 139 ASN H H 1 0.690 0.010 . . . 793 ASN N . 793 ASN H 50459 1 124 . 1 1 140 140 TYR N N 15 . 1 1 140 140 TYR H H 1 0.847 0.020 . . . 794 TYR N . 794 TYR H 50459 1 125 . 1 1 141 141 GLU N N 15 . 1 1 141 141 GLU H H 1 0.860 0.021 . . . 795 GLU N . 795 GLU H 50459 1 126 . 1 1 142 142 LYS N N 15 . 1 1 142 142 LYS H H 1 0.865 0.022 . . . 796 LYS N . 796 LYS H 50459 1 127 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.942 0.024 . . . 797 LEU N . 797 LEU H 50459 1 128 . 1 1 144 144 LYS N N 15 . 1 1 144 144 LYS H H 1 0.887 0.016 . . . 798 LYS N . 798 LYS H 50459 1 129 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 1.002 0.018 . . . 799 THR N . 799 THR H 50459 1 130 . 1 1 146 146 ASP N N 15 . 1 1 146 146 ASP H H 1 0.698 0.025 . . . 800 ASP N . 800 ASP H 50459 1 131 . 1 1 147 147 ILE N N 15 . 1 1 147 147 ILE H H 1 0.658 0.023 . . . 801 ILE N . 801 ILE H 50459 1 132 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 0.717 0.019 . . . 802 LYS N . 802 LYS H 50459 1 133 . 1 1 149 149 VAL N N 15 . 1 1 149 149 VAL H H 1 0.716 0.012 . . . 803 VAL N . 803 VAL H 50459 1 134 . 1 1 150 150 VAL N N 15 . 1 1 150 150 VAL H H 1 0.740 0.025 . . . 804 VAL N . 804 VAL H 50459 1 135 . 1 1 151 151 ASP N N 15 . 1 1 151 151 ASP H H 1 0.725 0.013 . . . 805 ASP N . 805 ASP H 50459 1 136 . 1 1 152 152 ARG N N 15 . 1 1 152 152 ARG H H 1 0.686 0.020 . . . 806 ARG N . 806 ARG H 50459 1 137 . 1 1 153 153 ASP N N 15 . 1 1 153 153 ASP H H 1 0.756 0.008 . . . 807 ASP N . 807 ASP H 50459 1 138 . 1 1 154 154 SER N N 15 . 1 1 154 154 SER H H 1 0.244 0.008 . . . 808 SER N . 808 SER H 50459 1 139 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.764 0.014 . . . 809 GLU N . 809 GLU H 50459 1 140 . 1 1 156 156 GLU N N 15 . 1 1 156 156 GLU H H 1 0.638 0.014 . . . 810 GLU N . 810 GLU H 50459 1 141 . 1 1 157 157 ALA N N 15 . 1 1 157 157 ALA H H 1 0.808 0.014 . . . 811 ALA N . 811 ALA H 50459 1 142 . 1 1 158 158 GLU N N 15 . 1 1 158 158 GLU H H 1 0.796 0.013 . . . 812 GLU N . 812 GLU H 50459 1 143 . 1 1 159 159 ILE N N 15 . 1 1 159 159 ILE H H 1 0.716 0.019 . . . 813 ILE N . 813 ILE H 50459 1 144 . 1 1 160 160 ILE N N 15 . 1 1 160 160 ILE H H 1 0.850 0.028 . . . 814 ILE N . 814 ILE H 50459 1 145 . 1 1 161 161 ARG N N 15 . 1 1 161 161 ARG H H 1 0.952 0.021 . . . 815 ARG N . 815 ARG H 50459 1 146 . 1 1 162 162 LYS N N 15 . 1 1 162 162 LYS H H 1 0.604 0.037 . . . 816 LYS N . 816 LYS H 50459 1 147 . 1 1 163 163 TYR N N 15 . 1 1 163 163 TYR H H 1 0.774 0.018 . . . 817 TYR N . 817 TYR H 50459 1 148 . 1 1 164 164 VAL N N 15 . 1 1 164 164 VAL H H 1 0.823 0.017 . . . 818 VAL N . 818 VAL H 50459 1 149 . 1 1 165 165 LYS N N 15 . 1 1 165 165 LYS H H 1 0.848 0.077 . . . 819 LYS N . 819 LYS H 50459 1 150 . 1 1 166 166 ASN N N 15 . 1 1 166 166 ASN H H 1 0.535 0.024 . . . 820 ASN N . 820 ASN H 50459 1 151 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 0.854 0.028 . . . 821 THR N . 821 THR H 50459 1 152 . 1 1 168 168 HIS N N 15 . 1 1 168 168 HIS H H 1 1.113 0.090 . . . 822 HIS N . 822 HIS H 50459 1 153 . 1 1 174 174 ALA N N 15 . 1 1 174 174 ALA H H 1 0.765 0.039 . . . 828 ALA N . 828 ALA H 50459 1 154 . 1 1 175 175 TYR N N 15 . 1 1 175 175 TYR H H 1 0.514 0.010 . . . 829 TYR N . 829 TYR H 50459 1 155 . 1 1 176 176 ASP N N 15 . 1 1 176 176 ASP H H 1 0.839 0.018 . . . 830 ASP N . 830 ASP H 50459 1 156 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.772 0.021 . . . 832 GLU N . 832 GLU H 50459 1 157 . 1 1 179 179 VAL N N 15 . 1 1 179 179 VAL H H 1 0.680 0.015 . . . 833 VAL N . 833 VAL H 50459 1 158 . 1 1 180 180 ILE N N 15 . 1 1 180 180 ILE H H 1 0.654 0.027 . . . 834 ILE N . 834 ILE H 50459 1 159 . 1 1 181 181 ASP N N 15 . 1 1 181 181 ASP H H 1 0.726 0.020 . . . 835 ASP N . 835 ASP H 50459 1 160 . 1 1 182 182 ILE N N 15 . 1 1 182 182 ILE H H 1 0.665 0.020 . . . 836 ILE N . 836 ILE H 50459 1 161 . 1 1 183 183 PHE N N 15 . 1 1 183 183 PHE H H 1 0.918 0.035 . . . 837 PHE N . 837 PHE H 50459 1 162 . 1 1 184 184 LYS N N 15 . 1 1 184 184 LYS H H 1 0.755 0.020 . . . 838 LYS N . 838 LYS H 50459 1 163 . 1 1 185 185 ILE N N 15 . 1 1 185 185 ILE H H 1 1.051 0.050 . . . 839 ILE N . 839 ILE H 50459 1 164 . 1 1 186 186 GLU N N 15 . 1 1 186 186 GLU H H 1 0.918 0.047 . . . 840 GLU N . 840 GLU H 50459 1 165 . 1 1 187 187 ARG N N 15 . 1 1 187 187 ARG H H 1 0.229 0.056 . . . 841 ARG N . 841 ARG H 50459 1 166 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.784 0.022 . . . 842 GLU N . 842 GLU H 50459 1 167 . 1 1 189 189 GLY N N 15 . 1 1 189 189 GLY H H 1 0.489 0.038 . . . 843 GLY N . 843 GLY H 50459 1 168 . 1 1 190 190 GLU N N 15 . 1 1 190 190 GLU H H 1 0.764 0.023 . . . 844 GLU N . 844 GLU H 50459 1 169 . 1 1 191 191 CYS N N 15 . 1 1 191 191 CYS H H 1 0.707 0.023 . . . 845 CYS N . 845 CYS H 50459 1 170 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 0.675 0.019 . . . 846 GLN N . 846 GLN H 50459 1 171 . 1 1 193 193 ARG N N 15 . 1 1 193 193 ARG H H 1 0.830 0.030 . . . 847 ARG N . 847 ARG H 50459 1 172 . 1 1 194 194 TYR N N 15 . 1 1 194 194 TYR H H 1 0.843 0.025 . . . 848 TYR N . 848 TYR H 50459 1 173 . 1 1 195 195 LYS N N 15 . 1 1 195 195 LYS H H 1 0.912 0.042 . . . 849 LYS N . 849 LYS H 50459 1 174 . 1 1 197 197 PHE N N 15 . 1 1 197 197 PHE H H 1 0.613 0.023 . . . 851 PHE N . 851 PHE H 50459 1 175 . 1 1 198 198 LYS N N 15 . 1 1 198 198 LYS H H 1 0.597 0.015 . . . 852 LYS N . 852 LYS H 50459 1 176 . 1 1 199 199 GLN N N 15 . 1 1 199 199 GLN H H 1 0.521 0.015 . . . 853 GLN N . 853 GLN H 50459 1 177 . 1 1 200 200 LEU N N 15 . 1 1 200 200 LEU H H 1 0.763 0.014 . . . 854 LEU N . 854 LEU H 50459 1 178 . 1 1 201 201 HIS N N 15 . 1 1 201 201 HIS H H 1 0.989 0.045 . . . 855 HIS N . 855 HIS H 50459 1 179 . 1 1 202 202 ASN N N 15 . 1 1 202 202 ASN H H 1 0.786 0.017 . . . 856 ASN N . 856 ASN H 50459 1 180 . 1 1 203 203 ARG N N 15 . 1 1 203 203 ARG H H 1 0.815 0.014 . . . 857 ARG N . 857 ARG H 50459 1 181 . 1 1 204 204 ARG N N 15 . 1 1 204 204 ARG H H 1 0.799 0.023 . . . 858 ARG N . 858 ARG H 50459 1 182 . 1 1 205 205 LEU N N 15 . 1 1 205 205 LEU H H 1 1.083 0.035 . . . 859 LEU N . 859 LEU H 50459 1 183 . 1 1 206 206 LEU N N 15 . 1 1 206 206 LEU H H 1 0.802 0.034 . . . 860 LEU N . 860 LEU H 50459 1 184 . 1 1 207 207 TRP N N 15 . 1 1 207 207 TRP H H 1 0.758 0.016 . . . 861 TRP N . 861 TRP H 50459 1 185 . 1 1 208 208 HIS N N 15 . 1 1 208 208 HIS H H 1 0.804 0.063 . . . 862 HIS N . 862 HIS H 50459 1 186 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.997 0.058 . . . 864 SER N . 864 SER H 50459 1 187 . 1 1 211 211 ARG N N 15 . 1 1 211 211 ARG H H 1 0.720 0.020 . . . 865 ARG N . 865 ARG H 50459 1 188 . 1 1 212 212 THR N N 15 . 1 1 212 212 THR H H 1 0.766 0.026 . . . 866 THR N . 866 THR H 50459 1 189 . 1 1 213 213 THR N N 15 . 1 1 213 213 THR H H 1 0.735 0.019 . . . 867 THR N . 867 THR H 50459 1 190 . 1 1 214 214 ASN N N 15 . 1 1 214 214 ASN H H 1 0.975 0.022 . . . 868 ASN N . 868 ASN H 50459 1 191 . 1 1 215 215 PHE N N 15 . 1 1 215 215 PHE H H 1 0.797 0.033 . . . 869 PHE N . 869 PHE H 50459 1 192 . 1 1 216 216 ALA N N 15 . 1 1 216 216 ALA H H 1 0.924 0.027 . . . 870 ALA N . 870 ALA H 50459 1 193 . 1 1 217 217 GLY N N 15 . 1 1 217 217 GLY H H 1 0.895 0.031 . . . 871 GLY N . 871 GLY H 50459 1 194 . 1 1 218 218 ILE N N 15 . 1 1 218 218 ILE H H 1 0.563 0.013 . . . 872 ILE N . 872 ILE H 50459 1 195 . 1 1 219 219 LEU N N 15 . 1 1 219 219 LEU H H 1 0.791 0.024 . . . 873 LEU N . 873 LEU H 50459 1 196 . 1 1 220 220 SER N N 15 . 1 1 220 220 SER H H 1 1.089 0.033 . . . 874 SER N . 874 SER H 50459 1 197 . 1 1 221 221 GLN N N 15 . 1 1 221 221 GLN H H 1 0.821 0.015 . . . 875 GLN N . 875 GLN H 50459 1 198 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.800 0.013 . . . 876 GLY N . 876 GLY H 50459 1 199 . 1 1 223 223 LEU N N 15 . 1 1 223 223 LEU H H 1 0.374 0.026 . . . 877 LEU N . 877 LEU H 50459 1 200 . 1 1 224 224 ARG N N 15 . 1 1 224 224 ARG H H 1 0.603 0.028 . . . 878 ARG N . 878 ARG H 50459 1 201 . 1 1 225 225 ILE N N 15 . 1 1 225 225 ILE H H 1 0.687 0.019 . . . 879 ILE N . 879 ILE H 50459 1 202 . 1 1 226 226 ALA N N 15 . 1 1 226 226 ALA H H 1 0.528 0.024 . . . 880 ALA N . 880 ALA H 50459 1 203 . 1 1 229 229 GLU N N 15 . 1 1 229 229 GLU H H 1 0.707 0.017 . . . 883 GLU N . 883 GLU H 50459 1 204 . 1 1 230 230 ALA N N 15 . 1 1 230 230 ALA H H 1 0.740 0.020 . . . 884 ALA N . 884 ALA H 50459 1 205 . 1 1 234 234 GLY N N 15 . 1 1 234 234 GLY H H 1 0.580 0.035 . . . 888 GLY N . 888 GLY H 50459 1 206 . 1 1 235 235 TYR N N 15 . 1 1 235 235 TYR H H 1 0.650 0.032 . . . 889 TYR N . 889 TYR H 50459 1 207 . 1 1 238 238 GLY N N 15 . 1 1 238 238 GLY H H 1 0.802 0.030 . . . 892 GLY N . 892 GLY H 50459 1 208 . 1 1 239 239 LYS N N 15 . 1 1 239 239 LYS H H 1 0.706 0.049 . . . 893 LYS N . 893 LYS H 50459 1 209 . 1 1 240 240 GLY N N 15 . 1 1 240 240 GLY H H 1 0.531 0.012 . . . 894 GLY N . 894 GLY H 50459 1 210 . 1 1 241 241 ILE N N 15 . 1 1 241 241 ILE H H 1 0.666 0.053 . . . 895 ILE N . 895 ILE H 50459 1 211 . 1 1 242 242 TYR N N 15 . 1 1 242 242 TYR H H 1 0.913 0.031 . . . 896 TYR N . 896 TYR H 50459 1 212 . 1 1 244 244 ALA N N 15 . 1 1 244 244 ALA H H 1 0.667 0.062 . . . 898 ALA N . 898 ALA H 50459 1 213 . 1 1 245 245 ASP N N 15 . 1 1 245 245 ASP H H 1 0.999 0.079 . . . 899 ASP N . 899 ASP H 50459 1 214 . 1 1 246 246 MET N N 15 . 1 1 246 246 MET H H 1 0.581 0.021 . . . 900 MET N . 900 MET H 50459 1 215 . 1 1 247 247 VAL N N 15 . 1 1 247 247 VAL H H 1 0.876 0.071 . . . 901 VAL N . 901 VAL H 50459 1 216 . 1 1 248 248 SER N N 15 . 1 1 248 248 SER H H 1 0.305 0.029 . . . 902 SER N . 902 SER H 50459 1 217 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.604 0.040 . . . 905 ALA N . 905 ALA H 50459 1 218 . 1 1 252 252 ASN N N 15 . 1 1 252 252 ASN H H 1 0.586 0.046 . . . 906 ASN N . 906 ASN H 50459 1 219 . 1 1 253 253 TYR N N 15 . 1 1 253 253 TYR H H 1 0.706 0.059 . . . 907 TYR N . 907 TYR H 50459 1 220 . 1 1 254 254 CYS N N 15 . 1 1 254 254 CYS H H 1 0.821 0.040 . . . 908 CYS N . 908 CYS H 50459 1 221 . 1 1 255 255 HIS N N 15 . 1 1 255 255 HIS H H 1 0.659 0.010 . . . 909 HIS N . 909 HIS H 50459 1 222 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 0.734 0.019 . . . 910 THR N . 910 THR H 50459 1 223 . 1 1 257 257 SER N N 15 . 1 1 257 257 SER H H 1 0.624 0.014 . . . 911 SER N . 911 SER H 50459 1 224 . 1 1 258 258 GLN N N 15 . 1 1 258 258 GLN H H 1 0.732 0.015 . . . 912 GLN N . 912 GLN H 50459 1 225 . 1 1 259 259 GLY N N 15 . 1 1 259 259 GLY H H 1 0.799 0.066 . . . 913 GLY N . 913 GLY H 50459 1 226 . 1 1 260 260 ASP N N 15 . 1 1 260 260 ASP H H 1 0.556 0.007 . . . 914 ASP N . 914 ASP H 50459 1 227 . 1 1 262 262 ILE N N 15 . 1 1 262 262 ILE H H 1 0.652 0.009 . . . 916 ILE N . 916 ILE H 50459 1 228 . 1 1 263 263 GLY N N 15 . 1 1 263 263 GLY H H 1 0.739 0.022 . . . 917 GLY N . 917 GLY H 50459 1 229 . 1 1 264 264 LEU N N 15 . 1 1 264 264 LEU H H 1 0.935 0.036 . . . 918 LEU N . 918 LEU H 50459 1 230 . 1 1 267 267 LEU N N 15 . 1 1 267 267 LEU H H 1 0.717 0.032 . . . 921 LEU N . 921 LEU H 50459 1 231 . 1 1 268 268 GLY N N 15 . 1 1 268 268 GLY H H 1 0.908 0.037 . . . 922 GLY N . 922 GLY H 50459 1 232 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.907 0.040 . . . 923 GLU N . 923 GLU H 50459 1 233 . 1 1 270 270 VAL N N 15 . 1 1 270 270 VAL H H 1 0.907 0.030 . . . 924 VAL N . 924 VAL H 50459 1 234 . 1 1 271 271 ALA N N 15 . 1 1 271 271 ALA H H 1 0.825 0.025 . . . 925 ALA N . 925 ALA H 50459 1 235 . 1 1 272 272 LEU N N 15 . 1 1 272 272 LEU H H 1 0.691 0.032 . . . 926 LEU N . 926 LEU H 50459 1 236 . 1 1 273 273 GLY N N 15 . 1 1 273 273 GLY H H 1 0.701 0.022 . . . 927 GLY N . 927 GLY H 50459 1 237 . 1 1 274 274 ASN N N 15 . 1 1 274 274 ASN H H 1 0.642 0.029 . . . 928 ASN N . 928 ASN H 50459 1 238 . 1 1 275 275 MET N N 15 . 1 1 275 275 MET H H 1 0.749 0.021 . . . 929 MET N . 929 MET H 50459 1 239 . 1 1 276 276 TYR N N 15 . 1 1 276 276 TYR H H 1 0.687 0.035 . . . 930 TYR N . 930 TYR H 50459 1 240 . 1 1 277 277 GLU N N 15 . 1 1 277 277 GLU H H 1 0.845 0.024 . . . 931 GLU N . 931 GLU H 50459 1 241 . 1 1 278 278 LEU N N 15 . 1 1 278 278 LEU H H 1 0.834 0.068 . . . 932 LEU N . 932 LEU H 50459 1 242 . 1 1 279 279 LYS N N 15 . 1 1 279 279 LYS H H 1 0.712 0.032 . . . 933 LYS N . 933 LYS H 50459 1 243 . 1 1 280 280 HIS N N 15 . 1 1 280 280 HIS H H 1 0.689 0.016 . . . 934 HIS N . 934 HIS H 50459 1 244 . 1 1 281 281 ALA N N 15 . 1 1 281 281 ALA H H 1 0.877 0.018 . . . 935 ALA N . 935 ALA H 50459 1 245 . 1 1 284 284 ILE N N 15 . 1 1 284 284 ILE H H 1 0.266 0.026 . . . 938 ILE N . 938 ILE H 50459 1 246 . 1 1 285 285 SER N N 15 . 1 1 285 285 SER H H 1 0.985 0.076 . . . 939 SER N . 939 SER H 50459 1 247 . 1 1 286 286 LYS N N 15 . 1 1 286 286 LYS H H 1 0.215 0.052 . . . 940 LYS N . 940 LYS H 50459 1 248 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.527 0.019 . . . 941 LEU N . 941 LEU H 50459 1 249 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 0.975 0.018 . . . 943 LYS N . 943 LYS H 50459 1 250 . 1 1 291 291 LYS N N 15 . 1 1 291 291 LYS H H 1 0.690 0.009 . . . 945 LYS N . 945 LYS H 50459 1 251 . 1 1 292 292 HIS N N 15 . 1 1 292 292 HIS H H 1 0.986 0.045 . . . 946 HIS N . 946 HIS H 50459 1 252 . 1 1 293 293 SER N N 15 . 1 1 293 293 SER H H 1 0.941 0.021 . . . 947 SER N . 947 SER H 50459 1 253 . 1 1 294 294 VAL N N 15 . 1 1 294 294 VAL H H 1 0.894 0.027 . . . 948 VAL N . 948 VAL H 50459 1 254 . 1 1 295 295 LYS N N 15 . 1 1 295 295 LYS H H 1 0.689 0.029 . . . 949 LYS N . 949 LYS H 50459 1 255 . 1 1 296 296 GLY N N 15 . 1 1 296 296 GLY H H 1 1.053 0.055 . . . 950 GLY N . 950 GLY H 50459 1 256 . 1 1 297 297 LEU N N 15 . 1 1 297 297 LEU H H 1 0.676 0.034 . . . 951 LEU N . 951 LEU H 50459 1 257 . 1 1 298 298 GLY N N 15 . 1 1 298 298 GLY H H 1 0.513 0.036 . . . 952 GLY N . 952 GLY H 50459 1 258 . 1 1 299 299 LYS N N 15 . 1 1 299 299 LYS H H 1 0.578 0.014 . . . 953 LYS N . 953 LYS H 50459 1 259 . 1 1 300 300 THR N N 15 . 1 1 300 300 THR H H 1 0.874 0.016 . . . 954 THR N . 954 THR H 50459 1 260 . 1 1 301 301 THR N N 15 . 1 1 301 301 THR H H 1 0.818 0.020 . . . 955 THR N . 955 THR H 50459 1 261 . 1 1 303 303 ASP N N 15 . 1 1 303 303 ASP H H 1 0.767 0.027 . . . 957 ASP N . 957 ASP H 50459 1 262 . 1 1 305 305 SER N N 15 . 1 1 305 305 SER H H 1 0.769 0.017 . . . 959 SER N . 959 SER H 50459 1 263 . 1 1 306 306 ALA N N 15 . 1 1 306 306 ALA H H 1 0.824 0.013 . . . 960 ALA N . 960 ALA H 50459 1 264 . 1 1 307 307 ASN N N 15 . 1 1 307 307 ASN H H 1 0.599 0.007 . . . 961 ASN N . 961 ASN H 50459 1 265 . 1 1 308 308 ILE N N 15 . 1 1 308 308 ILE H H 1 0.908 0.019 . . . 962 ILE N . 962 ILE H 50459 1 266 . 1 1 309 309 SER N N 15 . 1 1 309 309 SER H H 1 0.725 0.010 . . . 963 SER N . 963 SER H 50459 1 267 . 1 1 310 310 LEU N N 15 . 1 1 310 310 LEU H H 1 0.728 0.015 . . . 964 LEU N . 964 LEU H 50459 1 268 . 1 1 311 311 ASP N N 15 . 1 1 311 311 ASP H H 1 0.900 0.024 . . . 965 ASP N . 965 ASP H 50459 1 269 . 1 1 312 312 GLY N N 15 . 1 1 312 312 GLY H H 1 0.757 0.013 . . . 966 GLY N . 966 GLY H 50459 1 270 . 1 1 313 313 VAL N N 15 . 1 1 313 313 VAL H H 1 0.658 0.009 . . . 967 VAL N . 967 VAL H 50459 1 271 . 1 1 314 314 ASP N N 15 . 1 1 314 314 ASP H H 1 0.823 0.018 . . . 968 ASP N . 968 ASP H 50459 1 272 . 1 1 315 315 VAL N N 15 . 1 1 315 315 VAL H H 1 0.675 0.018 . . . 969 VAL N . 969 VAL H 50459 1 273 . 1 1 317 317 LEU N N 15 . 1 1 317 317 LEU H H 1 0.334 0.020 . . . 971 LEU N . 971 LEU H 50459 1 274 . 1 1 318 318 GLY N N 15 . 1 1 318 318 GLY H H 1 0.578 0.017 . . . 972 GLY N . 972 GLY H 50459 1 275 . 1 1 319 319 THR N N 15 . 1 1 319 319 THR H H 1 0.750 0.019 . . . 973 THR N . 973 THR H 50459 1 276 . 1 1 320 320 GLY N N 15 . 1 1 320 320 GLY H H 1 0.623 0.021 . . . 974 GLY N . 974 GLY H 50459 1 277 . 1 1 321 321 ILE N N 15 . 1 1 321 321 ILE H H 1 0.781 0.030 . . . 975 ILE N . 975 ILE H 50459 1 278 . 1 1 322 322 SER N N 15 . 1 1 322 322 SER H H 1 0.705 0.017 . . . 976 SER N . 976 SER H 50459 1 279 . 1 1 323 323 SER N N 15 . 1 1 323 323 SER H H 1 0.650 0.014 . . . 977 SER N . 977 SER H 50459 1 280 . 1 1 324 324 GLY N N 15 . 1 1 324 324 GLY H H 1 0.663 0.026 . . . 978 GLY N . 978 GLY H 50459 1 281 . 1 1 325 325 VAL N N 15 . 1 1 325 325 VAL H H 1 0.705 0.014 . . . 979 VAL N . 979 VAL H 50459 1 282 . 1 1 326 326 ASN N N 15 . 1 1 326 326 ASN H H 1 0.828 0.037 . . . 980 ASN N . 980 ASN H 50459 1 283 . 1 1 327 327 ASP N N 15 . 1 1 327 327 ASP H H 1 0.516 0.071 . . . 981 ASP N . 981 ASP H 50459 1 284 . 1 1 328 328 THR N N 15 . 1 1 328 328 THR H H 1 0.429 0.008 . . . 982 THR N . 982 THR H 50459 1 285 . 1 1 329 329 SER N N 15 . 1 1 329 329 SER H H 1 0.652 0.030 . . . 983 SER N . 983 SER H 50459 1 286 . 1 1 330 330 LEU N N 15 . 1 1 330 330 LEU H H 1 0.813 0.033 . . . 984 LEU N . 984 LEU H 50459 1 287 . 1 1 331 331 LEU N N 15 . 1 1 331 331 LEU H H 1 0.637 0.068 . . . 985 LEU N . 985 LEU H 50459 1 288 . 1 1 332 332 TYR N N 15 . 1 1 332 332 TYR H H 1 0.865 0.048 . . . 986 TYR N . 986 TYR H 50459 1 289 . 1 1 333 333 ASN N N 15 . 1 1 333 333 ASN H H 1 0.484 0.052 . . . 987 ASN N . 987 ASN H 50459 1 290 . 1 1 336 336 ILE N N 15 . 1 1 336 336 ILE H H 1 0.918 0.049 . . . 990 ILE N . 990 ILE H 50459 1 291 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.984 0.056 . . . 991 VAL N . 991 VAL H 50459 1 292 . 1 1 338 338 TYR N N 15 . 1 1 338 338 TYR H H 1 0.952 0.066 . . . 992 TYR N . 992 TYR H 50459 1 293 . 1 1 339 339 ASP N N 15 . 1 1 339 339 ASP H H 1 0.902 0.018 . . . 993 ASP N . 993 ASP H 50459 1 294 . 1 1 340 340 ILE N N 15 . 1 1 340 340 ILE H H 1 0.620 0.034 . . . 994 ILE N . 994 ILE H 50459 1 295 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.966 0.021 . . . 995 ALA N . 995 ALA H 50459 1 296 . 1 1 342 342 GLN N N 15 . 1 1 342 342 GLN H H 1 0.803 0.024 . . . 996 GLN N . 996 GLN H 50459 1 297 . 1 1 343 343 VAL N N 15 . 1 1 343 343 VAL H H 1 0.839 0.015 . . . 997 VAL N . 997 VAL H 50459 1 298 . 1 1 344 344 ASN N N 15 . 1 1 344 344 ASN H H 1 0.942 0.023 . . . 998 ASN N . 998 ASN H 50459 1 299 . 1 1 345 345 LEU N N 15 . 1 1 345 345 LEU H H 1 0.483 0.045 . . . 999 LEU N . 999 LEU H 50459 1 300 . 1 1 346 346 LYS N N 15 . 1 1 346 346 LYS H H 1 0.916 0.027 . . . 1000 LYS N . 1000 LYS H 50459 1 301 . 1 1 347 347 TYR N N 15 . 1 1 347 347 TYR H H 1 0.783 0.030 . . . 1001 TYR N . 1001 TYR H 50459 1 302 . 1 1 348 348 LEU N N 15 . 1 1 348 348 LEU H H 1 0.959 0.028 . . . 1002 LEU N . 1002 LEU H 50459 1 303 . 1 1 349 349 LEU N N 15 . 1 1 349 349 LEU H H 1 0.788 0.024 . . . 1003 LEU N . 1003 LEU H 50459 1 304 . 1 1 350 350 LYS N N 15 . 1 1 350 350 LYS H H 1 0.838 0.022 . . . 1004 LYS N . 1004 LYS H 50459 1 305 . 1 1 351 351 LEU N N 15 . 1 1 351 351 LEU H H 1 0.965 0.038 . . . 1005 LEU N . 1005 LEU H 50459 1 306 . 1 1 352 352 LYS N N 15 . 1 1 352 352 LYS H H 1 0.720 0.026 . . . 1006 LYS N . 1006 LYS H 50459 1 307 . 1 1 353 353 PHE N N 15 . 1 1 353 353 PHE H H 1 0.631 0.047 . . . 1007 PHE N . 1007 PHE H 50459 1 308 . 1 1 354 354 ASN N N 15 . 1 1 354 354 ASN H H 1 0.842 0.022 . . . 1008 ASN N . 1008 ASN H 50459 1 309 . 1 1 355 355 PHE N N 15 . 1 1 355 355 PHE H H 1 0.445 0.014 . . . 1009 PHE N . 1009 PHE H 50459 1 310 . 1 1 356 356 LYS N N 15 . 1 1 356 356 LYS H H 1 0.468 0.011 . . . 1010 LYS N . 1010 LYS H 50459 1 311 . 1 1 357 357 THR N N 15 . 1 1 357 357 THR H H 1 0.322 0.021 . . . 1011 THR N . 1011 THR H 50459 1 312 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.248 0.014 . . . 1012 SER N . 1012 SER H 50459 1 313 . 1 1 359 359 LEU N N 15 . 1 1 359 359 LEU H H 1 -0.021 0.002 . . . 1013 LEU N . 1013 LEU H 50459 1 314 . 1 1 360 360 TRP N N 15 . 1 1 360 360 TRP H H 1 -0.241 0.001 . . . 1014 TRP N . 1014 TRP H 50459 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 50459 _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 . 50459 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 VAL N N 15 1121 48 . . 657 VAL N 50459 1 2 . 1 1 4 4 ASN N N 15 1368 112 . . 658 ASN N 50459 1 3 . 1 1 6 6 GLY N N 15 1110 170 . . 660 GLY N 50459 1 4 . 1 1 7 7 THR N N 15 1018 37 . . 661 THR N 50459 1 5 . 1 1 8 8 LYS N N 15 1366 47 . . 662 LYS N 50459 1 6 . 1 1 9 9 SER N N 15 1607 82 . . 663 SER N 50459 1 7 . 1 1 10 10 LYS N N 15 1641 30 . . 664 LYS N 50459 1 8 . 1 1 11 11 LEU N N 15 1153 36 . . 665 LEU N 50459 1 9 . 1 1 15 15 VAL N N 15 2848 139 . . 669 VAL N 50459 1 10 . 1 1 16 16 GLN N N 15 2207 89 . . 670 GLN N 50459 1 11 . 1 1 17 17 ASP N N 15 2741 189 . . 671 ASP N 50459 1 12 . 1 1 18 18 LEU N N 15 3232 150 . . 672 LEU N 50459 1 13 . 1 1 19 19 ILE N N 15 3037 211 . . 673 ILE N 50459 1 14 . 1 1 20 20 LYS N N 15 2918 187 . . 674 LYS N 50459 1 15 . 1 1 21 21 MET N N 15 2828 99 . . 675 MET N 50459 1 16 . 1 1 22 22 ILE N N 15 2602 170 . . 676 ILE N 50459 1 17 . 1 1 23 23 PHE N N 15 2997 98 . . 677 PHE N 50459 1 18 . 1 1 24 24 ASP N N 15 2849 112 . . 678 ASP N 50459 1 19 . 1 1 25 25 VAL N N 15 2847 191 . . 679 VAL N 50459 1 20 . 1 1 26 26 GLU N N 15 2420 182 . . 680 GLU N 50459 1 21 . 1 1 27 27 SER N N 15 2872 214 . . 681 SER N 50459 1 22 . 1 1 28 28 MET N N 15 2658 294 . . 682 MET N 50459 1 23 . 1 1 29 29 LYS N N 15 2621 35 . . 683 LYS N 50459 1 24 . 1 1 30 30 LYS N N 15 2950 48 . . 684 LYS N 50459 1 25 . 1 1 31 31 ALA N N 15 2763 68 . . 685 ALA N 50459 1 26 . 1 1 32 32 MET N N 15 2868 63 . . 686 MET N 50459 1 27 . 1 1 33 33 VAL N N 15 2522 71 . . 687 VAL N 50459 1 28 . 1 1 34 34 GLU N N 15 2730 142 . . 688 GLU N 50459 1 29 . 1 1 35 35 TYR N N 15 2788 58 . . 689 TYR N 50459 1 30 . 1 1 36 36 GLU N N 15 2475 157 . . 690 GLU N 50459 1 31 . 1 1 37 37 ILE N N 15 2758 210 . . 691 ILE N 50459 1 32 . 1 1 39 39 LEU N N 15 2666 119 . . 693 LEU N 50459 1 33 . 1 1 40 40 GLN N N 15 2729 164 . . 694 GLN N 50459 1 34 . 1 1 41 41 LYS N N 15 2779 221 . . 695 LYS N 50459 1 35 . 1 1 42 42 MET N N 15 2303 63 . . 696 MET N 50459 1 36 . 1 1 44 44 LEU N N 15 1915 89 . . 698 LEU N 50459 1 37 . 1 1 46 46 LYS N N 15 2107 73 . . 700 LYS N 50459 1 38 . 1 1 50 50 ARG N N 15 2223 263 . . 704 ARG N 50459 1 39 . 1 1 51 51 GLN N N 15 2343 90 . . 705 GLN N 50459 1 40 . 1 1 52 52 ILE N N 15 2337 198 . . 706 ILE N 50459 1 41 . 1 1 53 53 GLN N N 15 2415 193 . . 707 GLN N 50459 1 42 . 1 1 54 54 ALA N N 15 2521 71 . . 708 ALA N 50459 1 43 . 1 1 55 55 ALA N N 15 2245 182 . . 709 ALA N 50459 1 44 . 1 1 56 56 TYR N N 15 2802 74 . . 710 TYR N 50459 1 45 . 1 1 57 57 SER N N 15 2484 119 . . 711 SER N 50459 1 46 . 1 1 58 58 ILE N N 15 2689 285 . . 712 ILE N 50459 1 47 . 1 1 59 59 LEU N N 15 1978 112 . . 713 LEU N 50459 1 48 . 1 1 60 60 SER N N 15 2531 119 . . 714 SER N 50459 1 49 . 1 1 61 61 GLU N N 15 2626 44 . . 715 GLU N 50459 1 50 . 1 1 62 62 VAL N N 15 2713 146 . . 716 VAL N 50459 1 51 . 1 1 63 63 GLN N N 15 2643 46 . . 717 GLN N 50459 1 52 . 1 1 64 64 GLN N N 15 2719 94 . . 718 GLN N 50459 1 53 . 1 1 65 65 ALA N N 15 2669 80 . . 719 ALA N 50459 1 54 . 1 1 66 66 VAL N N 15 2504 102 . . 720 VAL N 50459 1 55 . 1 1 67 67 SER N N 15 2311 72 . . 721 SER N 50459 1 56 . 1 1 68 68 GLN N N 15 2333 66 . . 722 GLN N 50459 1 57 . 1 1 69 69 GLY N N 15 1778 40 . . 723 GLY N 50459 1 58 . 1 1 70 70 SER N N 15 1518 38 . . 724 SER N 50459 1 59 . 1 1 71 71 SER N N 15 1339 61 . . 725 SER N 50459 1 60 . 1 1 72 72 ASP N N 15 2160 129 . . 726 ASP N 50459 1 61 . 1 1 73 73 SER N N 15 2625 119 . . 727 SER N 50459 1 62 . 1 1 74 74 GLN N N 15 1918 31 . . 728 GLN N 50459 1 63 . 1 1 75 75 ILE N N 15 2379 120 . . 729 ILE N 50459 1 64 . 1 1 76 76 LEU N N 15 2601 96 . . 730 LEU N 50459 1 65 . 1 1 77 77 ASP N N 15 2433 113 . . 731 ASP N 50459 1 66 . 1 1 78 78 LEU N N 15 2750 106 . . 732 LEU N 50459 1 67 . 1 1 79 79 SER N N 15 2118 83 . . 733 SER N 50459 1 68 . 1 1 80 80 ASN N N 15 2522 149 . . 734 ASN N 50459 1 69 . 1 1 81 81 ARG N N 15 2578 96 . . 735 ARG N 50459 1 70 . 1 1 82 82 PHE N N 15 2491 133 . . 736 PHE N 50459 1 71 . 1 1 83 83 TYR N N 15 2028 62 . . 737 TYR N 50459 1 72 . 1 1 84 84 THR N N 15 2639 67 . . 738 THR N 50459 1 73 . 1 1 85 85 LEU N N 15 2539 92 . . 739 LEU N 50459 1 74 . 1 1 86 86 ILE N N 15 2711 143 . . 740 ILE N 50459 1 75 . 1 1 88 88 HIS N N 15 3182 138 . . 742 HIS N 50459 1 76 . 1 1 89 89 ASP N N 15 3173 119 . . 743 ASP N 50459 1 77 . 1 1 90 90 PHE N N 15 2122 75 . . 744 PHE N 50459 1 78 . 1 1 91 91 GLY N N 15 1905 44 . . 745 GLY N 50459 1 79 . 1 1 93 93 LYS N N 15 2091 90 . . 747 LYS N 50459 1 80 . 1 1 94 94 LYS N N 15 1977 39 . . 748 LYS N 50459 1 81 . 1 1 97 97 LEU N N 15 2114 63 . . 751 LEU N 50459 1 82 . 1 1 98 98 LEU N N 15 2207 112 . . 752 LEU N 50459 1 83 . 1 1 99 99 ASN N N 15 2162 86 . . 753 ASN N 50459 1 84 . 1 1 100 100 ASN N N 15 2270 64 . . 754 ASN N 50459 1 85 . 1 1 102 102 ASP N N 15 2473 73 . . 756 ASP N 50459 1 86 . 1 1 103 103 SER N N 15 2527 53 . . 757 SER N 50459 1 87 . 1 1 104 104 VAL N N 15 2601 118 . . 758 VAL N 50459 1 88 . 1 1 105 105 GLN N N 15 2823 140 . . 759 GLN N 50459 1 89 . 1 1 106 106 ALA N N 15 2272 67 . . 760 ALA N 50459 1 90 . 1 1 107 107 LYS N N 15 2713 179 . . 761 LYS N 50459 1 91 . 1 1 108 108 ALA N N 15 2052 108 . . 762 ALA N 50459 1 92 . 1 1 109 109 GLU N N 15 2830 161 . . 763 GLU N 50459 1 93 . 1 1 110 110 MET N N 15 2391 161 . . 764 MET N 50459 1 94 . 1 1 111 111 PHE N N 15 2709 24 . . 765 PHE N 50459 1 95 . 1 1 112 112 ASP N N 15 2070 258 . . 766 ASP N 50459 1 96 . 1 1 113 113 ASN N N 15 2531 110 . . 767 ASN N 50459 1 97 . 1 1 114 114 LEU N N 15 2807 166 . . 768 LEU N 50459 1 98 . 1 1 115 115 LEU N N 15 2896 123 . . 769 LEU N 50459 1 99 . 1 1 116 116 ASP N N 15 2776 119 . . 770 ASP N 50459 1 100 . 1 1 117 117 ILE N N 15 2153 199 . . 771 ILE N 50459 1 101 . 1 1 118 118 GLU N N 15 2467 180 . . 772 GLU N 50459 1 102 . 1 1 119 119 VAL N N 15 2908 115 . . 773 VAL N 50459 1 103 . 1 1 120 120 ALA N N 15 2732 91 . . 774 ALA N 50459 1 104 . 1 1 121 121 TYR N N 15 3195 597 . . 775 TYR N 50459 1 105 . 1 1 122 122 SER N N 15 2203 204 . . 776 SER N 50459 1 106 . 1 1 123 123 LEU N N 15 2105 144 . . 777 LEU N 50459 1 107 . 1 1 124 124 LEU N N 15 2318 77 . . 778 LEU N 50459 1 108 . 1 1 125 125 ARG N N 15 2111 68 . . 779 ARG N 50459 1 109 . 1 1 126 126 GLY N N 15 1265 63 . . 780 GLY N 50459 1 110 . 1 1 127 127 GLY N N 15 962 44 . . 781 GLY N 50459 1 111 . 1 1 129 129 ASP N N 15 1358 45 . . 783 ASP N 50459 1 112 . 1 1 130 130 ASP N N 15 1149 34 . . 784 ASP N 50459 1 113 . 1 1 131 131 SER N N 15 1695 69 . . 785 SER N 50459 1 114 . 1 1 132 132 SER N N 15 1370 33 . . 786 SER N 50459 1 115 . 1 1 133 133 LYS N N 15 1568 17 . . 787 LYS N 50459 1 116 . 1 1 134 134 ASP N N 15 1718 81 . . 788 ASP N 50459 1 117 . 1 1 136 136 ILE N N 15 2533 101 . . 790 ILE N 50459 1 118 . 1 1 137 137 ASP N N 15 2773 64 . . 791 ASP N 50459 1 119 . 1 1 138 138 VAL N N 15 2055 57 . . 792 VAL N 50459 1 120 . 1 1 139 139 ASN N N 15 2799 120 . . 793 ASN N 50459 1 121 . 1 1 140 140 TYR N N 15 2791 90 . . 794 TYR N 50459 1 122 . 1 1 141 141 GLU N N 15 2826 83 . . 795 GLU N 50459 1 123 . 1 1 142 142 LYS N N 15 2672 164 . . 796 LYS N 50459 1 124 . 1 1 143 143 LEU N N 15 2996 126 . . 797 LEU N 50459 1 125 . 1 1 144 144 LYS N N 15 2508 102 . . 798 LYS N 50459 1 126 . 1 1 145 145 THR N N 15 2925 95 . . 799 THR N 50459 1 127 . 1 1 146 146 ASP N N 15 2654 91 . . 800 ASP N 50459 1 128 . 1 1 147 147 ILE N N 15 3067 311 . . 801 ILE N 50459 1 129 . 1 1 148 148 LYS N N 15 2835 112 . . 802 LYS N 50459 1 130 . 1 1 149 149 VAL N N 15 2483 105 . . 803 VAL N 50459 1 131 . 1 1 150 150 VAL N N 15 2797 135 . . 804 VAL N 50459 1 132 . 1 1 151 151 ASP N N 15 2211 74 . . 805 ASP N 50459 1 133 . 1 1 152 152 ARG N N 15 2398 142 . . 806 ARG N 50459 1 134 . 1 1 153 153 ASP N N 15 2271 68 . . 807 ASP N 50459 1 135 . 1 1 154 154 SER N N 15 2437 105 . . 808 SER N 50459 1 136 . 1 1 155 155 GLU N N 15 2393 148 . . 809 GLU N 50459 1 137 . 1 1 156 156 GLU N N 15 2329 121 . . 810 GLU N 50459 1 138 . 1 1 157 157 ALA N N 15 2697 81 . . 811 ALA N 50459 1 139 . 1 1 158 158 GLU N N 15 2605 120 . . 812 GLU N 50459 1 140 . 1 1 159 159 ILE N N 15 2582 131 . . 813 ILE N 50459 1 141 . 1 1 160 160 ILE N N 15 2559 97 . . 814 ILE N 50459 1 142 . 1 1 161 161 ARG N N 15 2581 96 . . 815 ARG N 50459 1 143 . 1 1 162 162 LYS N N 15 2479 183 . . 816 LYS N 50459 1 144 . 1 1 163 163 TYR N N 15 2693 43 . . 817 TYR N 50459 1 145 . 1 1 164 164 VAL N N 15 2556 58 . . 818 VAL N 50459 1 146 . 1 1 165 165 LYS N N 15 2786 281 . . 819 LYS N 50459 1 147 . 1 1 166 166 ASN N N 15 2944 214 . . 820 ASN N 50459 1 148 . 1 1 167 167 THR N N 15 2887 156 . . 821 THR N 50459 1 149 . 1 1 168 168 HIS N N 15 2378 702 . . 822 HIS N 50459 1 150 . 1 1 174 174 ALA N N 15 1947 121 . . 828 ALA N 50459 1 151 . 1 1 175 175 TYR N N 15 2254 47 . . 829 TYR N 50459 1 152 . 1 1 176 176 ASP N N 15 2562 89 . . 830 ASP N 50459 1 153 . 1 1 178 178 GLU N N 15 3322 192 . . 832 GLU N 50459 1 154 . 1 1 179 179 VAL N N 15 2507 155 . . 833 VAL N 50459 1 155 . 1 1 180 180 ILE N N 15 2630 66 . . 834 ILE N 50459 1 156 . 1 1 181 181 ASP N N 15 2867 139 . . 835 ASP N 50459 1 157 . 1 1 182 182 ILE N N 15 2803 130 . . 836 ILE N 50459 1 158 . 1 1 183 183 PHE N N 15 2957 317 . . 837 PHE N 50459 1 159 . 1 1 184 184 LYS N N 15 3150 316 . . 838 LYS N 50459 1 160 . 1 1 185 185 ILE N N 15 2678 130 . . 839 ILE N 50459 1 161 . 1 1 186 186 GLU N N 15 2254 301 . . 840 GLU N 50459 1 162 . 1 1 188 188 GLU N N 15 2755 105 . . 842 GLU N 50459 1 163 . 1 1 189 189 GLY N N 15 2424 445 . . 843 GLY N 50459 1 164 . 1 1 190 190 GLU N N 15 2489 218 . . 844 GLU N 50459 1 165 . 1 1 191 191 CYS N N 15 2132 83 . . 845 CYS N 50459 1 166 . 1 1 192 192 GLN N N 15 1859 121 . . 846 GLN N 50459 1 167 . 1 1 193 193 ARG N N 15 2375 329 . . 847 ARG N 50459 1 168 . 1 1 194 194 TYR N N 15 3049 258 . . 848 TYR N 50459 1 169 . 1 1 195 195 LYS N N 15 2666 165 . . 849 LYS N 50459 1 170 . 1 1 197 197 PHE N N 15 2350 199 . . 851 PHE N 50459 1 171 . 1 1 198 198 LYS N N 15 1797 49 . . 852 LYS N 50459 1 172 . 1 1 199 199 GLN N N 15 2119 49 . . 853 GLN N 50459 1 173 . 1 1 200 200 LEU N N 15 2332 85 . . 854 LEU N 50459 1 174 . 1 1 201 201 HIS N N 15 2356 46 . . 855 HIS N 50459 1 175 . 1 1 202 202 ASN N N 15 2608 85 . . 856 ASN N 50459 1 176 . 1 1 203 203 ARG N N 15 2738 81 . . 857 ARG N 50459 1 177 . 1 1 204 204 ARG N N 15 2742 133 . . 858 ARG N 50459 1 178 . 1 1 205 205 LEU N N 15 2038 156 . . 859 LEU N 50459 1 179 . 1 1 206 206 LEU N N 15 2719 148 . . 860 LEU N 50459 1 180 . 1 1 207 207 TRP N N 15 2851 67 . . 861 TRP N 50459 1 181 . 1 1 208 208 HIS N N 15 2696 673 . . 862 HIS N 50459 1 182 . 1 1 210 210 SER N N 15 2451 160 . . 864 SER N 50459 1 183 . 1 1 211 211 ARG N N 15 1739 90 . . 865 ARG N 50459 1 184 . 1 1 212 212 THR N N 15 2277 93 . . 866 THR N 50459 1 185 . 1 1 213 213 THR N N 15 2273 111 . . 867 THR N 50459 1 186 . 1 1 214 214 ASN N N 15 2824 74 . . 868 ASN N 50459 1 187 . 1 1 215 215 PHE N N 15 2408 121 . . 869 PHE N 50459 1 188 . 1 1 216 216 ALA N N 15 2730 180 . . 870 ALA N 50459 1 189 . 1 1 217 217 GLY N N 15 2541 243 . . 871 GLY N 50459 1 190 . 1 1 218 218 ILE N N 15 2888 152 . . 872 ILE N 50459 1 191 . 1 1 219 219 LEU N N 15 2716 88 . . 873 LEU N 50459 1 192 . 1 1 220 220 SER N N 15 2729 189 . . 874 SER N 50459 1 193 . 1 1 221 221 GLN N N 15 2259 46 . . 875 GLN N 50459 1 194 . 1 1 222 222 GLY N N 15 2672 69 . . 876 GLY N 50459 1 195 . 1 1 223 223 LEU N N 15 1249 152 . . 877 LEU N 50459 1 196 . 1 1 224 224 ARG N N 15 1803 115 . . 878 ARG N 50459 1 197 . 1 1 225 225 ILE N N 15 2635 79 . . 879 ILE N 50459 1 198 . 1 1 226 226 ALA N N 15 2260 88 . . 880 ALA N 50459 1 199 . 1 1 229 229 GLU N N 15 2715 103 . . 883 GLU N 50459 1 200 . 1 1 230 230 ALA N N 15 2432 85 . . 884 ALA N 50459 1 201 . 1 1 234 234 GLY N N 15 1901 114 . . 888 GLY N 50459 1 202 . 1 1 235 235 TYR N N 15 2143 95 . . 889 TYR N 50459 1 203 . 1 1 238 238 GLY N N 15 2577 171 . . 892 GLY N 50459 1 204 . 1 1 239 239 LYS N N 15 2629 139 . . 893 LYS N 50459 1 205 . 1 1 240 240 GLY N N 15 2271 79 . . 894 GLY N 50459 1 206 . 1 1 241 241 ILE N N 15 2367 282 . . 895 ILE N 50459 1 207 . 1 1 242 242 TYR N N 15 2565 131 . . 896 TYR N 50459 1 208 . 1 1 244 244 ALA N N 15 2736 118 . . 898 ALA N 50459 1 209 . 1 1 245 245 ASP N N 15 764 36 . . 899 ASP N 50459 1 210 . 1 1 246 246 MET N N 15 2330 149 . . 900 MET N 50459 1 211 . 1 1 247 247 VAL N N 15 2981 279 . . 901 VAL N 50459 1 212 . 1 1 248 248 SER N N 15 1193 190 . . 902 SER N 50459 1 213 . 1 1 251 251 ALA N N 15 2246 187 . . 905 ALA N 50459 1 214 . 1 1 252 252 ASN N N 15 2178 275 . . 906 ASN N 50459 1 215 . 1 1 253 253 TYR N N 15 2100 335 . . 907 TYR N 50459 1 216 . 1 1 254 254 CYS N N 15 2564 135 . . 908 CYS N 50459 1 217 . 1 1 255 255 HIS N N 15 2297 17 . . 909 HIS N 50459 1 218 . 1 1 256 256 THR N N 15 2397 103 . . 910 THR N 50459 1 219 . 1 1 257 257 SER N N 15 2065 55 . . 911 SER N 50459 1 220 . 1 1 258 258 GLN N N 15 2629 82 . . 912 GLN N 50459 1 221 . 1 1 259 259 GLY N N 15 2147 214 . . 913 GLY N 50459 1 222 . 1 1 260 260 ASP N N 15 2456 103 . . 914 ASP N 50459 1 223 . 1 1 262 262 ILE N N 15 2565 31 . . 916 ILE N 50459 1 224 . 1 1 263 263 GLY N N 15 2831 260 . . 917 GLY N 50459 1 225 . 1 1 264 264 LEU N N 15 3164 203 . . 918 LEU N 50459 1 226 . 1 1 267 267 LEU N N 15 2697 103 . . 921 LEU N 50459 1 227 . 1 1 268 268 GLY N N 15 2648 203 . . 922 GLY N 50459 1 228 . 1 1 269 269 GLU N N 15 2609 114 . . 923 GLU N 50459 1 229 . 1 1 270 270 VAL N N 15 2586 157 . . 924 VAL N 50459 1 230 . 1 1 271 271 ALA N N 15 2831 226 . . 925 ALA N 50459 1 231 . 1 1 272 272 LEU N N 15 2461 264 . . 926 LEU N 50459 1 232 . 1 1 273 273 GLY N N 15 2712 166 . . 927 GLY N 50459 1 233 . 1 1 274 274 ASN N N 15 2917 99 . . 928 ASN N 50459 1 234 . 1 1 275 275 MET N N 15 2485 131 . . 929 MET N 50459 1 235 . 1 1 276 276 TYR N N 15 2858 159 . . 930 TYR N 50459 1 236 . 1 1 277 277 GLU N N 15 3037 194 . . 931 GLU N 50459 1 237 . 1 1 278 278 LEU N N 15 3021 528 . . 932 LEU N 50459 1 238 . 1 1 279 279 LYS N N 15 2778 274 . . 933 LYS N 50459 1 239 . 1 1 280 280 HIS N N 15 2290 117 . . 934 HIS N 50459 1 240 . 1 1 281 281 ALA N N 15 2449 95 . . 935 ALA N 50459 1 241 . 1 1 282 282 SER N N 15 747 40 . . 936 SER N 50459 1 242 . 1 1 284 284 ILE N N 15 1696 210 . . 938 ILE N 50459 1 243 . 1 1 285 285 SER N N 15 2109 115 . . 939 SER N 50459 1 244 . 1 1 287 287 LEU N N 15 2231 84 . . 941 LEU N 50459 1 245 . 1 1 289 289 LYS N N 15 2888 126 . . 943 LYS N 50459 1 246 . 1 1 291 291 LYS N N 15 2912 89 . . 945 LYS N 50459 1 247 . 1 1 292 292 HIS N N 15 2897 170 . . 946 HIS N 50459 1 248 . 1 1 293 293 SER N N 15 2569 146 . . 947 SER N 50459 1 249 . 1 1 294 294 VAL N N 15 2179 149 . . 948 VAL N 50459 1 250 . 1 1 295 295 LYS N N 15 2852 214 . . 949 LYS N 50459 1 251 . 1 1 296 296 GLY N N 15 3078 631 . . 950 GLY N 50459 1 252 . 1 1 297 297 LEU N N 15 1943 190 . . 951 LEU N 50459 1 253 . 1 1 298 298 GLY N N 15 2671 465 . . 952 GLY N 50459 1 254 . 1 1 299 299 LYS N N 15 2537 18 . . 953 LYS N 50459 1 255 . 1 1 300 300 THR N N 15 2560 81 . . 954 THR N 50459 1 256 . 1 1 301 301 THR N N 15 2816 176 . . 955 THR N 50459 1 257 . 1 1 303 303 ASP N N 15 2252 107 . . 957 ASP N 50459 1 258 . 1 1 305 305 SER N N 15 2757 115 . . 959 SER N 50459 1 259 . 1 1 306 306 ALA N N 15 2620 141 . . 960 ALA N 50459 1 260 . 1 1 307 307 ASN N N 15 2270 52 . . 961 ASN N 50459 1 261 . 1 1 308 308 ILE N N 15 2667 119 . . 962 ILE N 50459 1 262 . 1 1 309 309 SER N N 15 2371 34 . . 963 SER N 50459 1 263 . 1 1 310 310 LEU N N 15 2515 104 . . 964 LEU N 50459 1 264 . 1 1 311 311 ASP N N 15 2723 137 . . 965 ASP N 50459 1 265 . 1 1 312 312 GLY N N 15 2435 96 . . 966 GLY N 50459 1 266 . 1 1 313 313 VAL N N 15 2082 43 . . 967 VAL N 50459 1 267 . 1 1 314 314 ASP N N 15 2520 98 . . 968 ASP N 50459 1 268 . 1 1 315 315 VAL N N 15 2816 110 . . 969 VAL N 50459 1 269 . 1 1 317 317 LEU N N 15 1883 112 . . 971 LEU N 50459 1 270 . 1 1 318 318 GLY N N 15 2329 64 . . 972 GLY N 50459 1 271 . 1 1 319 319 THR N N 15 2577 154 . . 973 THR N 50459 1 272 . 1 1 320 320 GLY N N 15 2833 223 . . 974 GLY N 50459 1 273 . 1 1 321 321 ILE N N 15 2415 162 . . 975 ILE N 50459 1 274 . 1 1 322 322 SER N N 15 2513 123 . . 976 SER N 50459 1 275 . 1 1 323 323 SER N N 15 2155 126 . . 977 SER N 50459 1 276 . 1 1 324 324 GLY N N 15 2281 212 . . 978 GLY N 50459 1 277 . 1 1 325 325 VAL N N 15 2652 121 . . 979 VAL N 50459 1 278 . 1 1 326 326 ASN N N 15 2221 181 . . 980 ASN N 50459 1 279 . 1 1 328 328 THR N N 15 2554 61 . . 982 THR N 50459 1 280 . 1 1 329 329 SER N N 15 2099 116 . . 983 SER N 50459 1 281 . 1 1 330 330 LEU N N 15 2597 134 . . 984 LEU N 50459 1 282 . 1 1 331 331 LEU N N 15 2568 173 . . 985 LEU N 50459 1 283 . 1 1 332 332 TYR N N 15 2832 262 . . 986 TYR N 50459 1 284 . 1 1 333 333 ASN N N 15 2872 299 . . 987 ASN N 50459 1 285 . 1 1 336 336 ILE N N 15 2710 58 . . 990 ILE N 50459 1 286 . 1 1 337 337 VAL N N 15 2865 250 . . 991 VAL N 50459 1 287 . 1 1 338 338 TYR N N 15 986 92 . . 992 TYR N 50459 1 288 . 1 1 339 339 ASP N N 15 2885 76 . . 993 ASP N 50459 1 289 . 1 1 340 340 ILE N N 15 2147 175 . . 994 ILE N 50459 1 290 . 1 1 341 341 ALA N N 15 2810 229 . . 995 ALA N 50459 1 291 . 1 1 342 342 GLN N N 15 2581 212 . . 996 GLN N 50459 1 292 . 1 1 343 343 VAL N N 15 2665 114 . . 997 VAL N 50459 1 293 . 1 1 344 344 ASN N N 15 2840 122 . . 998 ASN N 50459 1 294 . 1 1 346 346 LYS N N 15 2897 171 . . 1000 LYS N 50459 1 295 . 1 1 347 347 TYR N N 15 2967 195 . . 1001 TYR N 50459 1 296 . 1 1 348 348 LEU N N 15 3166 213 . . 1002 LEU N 50459 1 297 . 1 1 349 349 LEU N N 15 2792 121 . . 1003 LEU N 50459 1 298 . 1 1 350 350 LYS N N 15 3358 62 . . 1004 LYS N 50459 1 299 . 1 1 351 351 LEU N N 15 2486 141 . . 1005 LEU N 50459 1 300 . 1 1 352 352 LYS N N 15 2553 258 . . 1006 LYS N 50459 1 301 . 1 1 353 353 PHE N N 15 2266 152 . . 1007 PHE N 50459 1 302 . 1 1 354 354 ASN N N 15 3170 138 . . 1008 ASN N 50459 1 303 . 1 1 355 355 PHE N N 15 2044 103 . . 1009 PHE N 50459 1 304 . 1 1 356 356 LYS N N 15 1730 121 . . 1010 LYS N 50459 1 305 . 1 1 357 357 THR N N 15 1083 67 . . 1011 THR N 50459 1 306 . 1 1 358 358 SER N N 15 836 32 . . 1012 SER N 50459 1 307 . 1 1 359 359 LEU N N 15 816 23 . . 1013 LEU N 50459 1 308 . 1 1 360 360 TRP N N 15 913 3 . . 1014 TRP N 50459 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 50459 _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 . 50459 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 15 198.35 6.42 . . . . 657 VAL N 50459 1 2 . 1 1 4 4 ASN N N 15 61.86 5.78 . . . . 658 ASN N 50459 1 3 . 1 1 6 6 GLY N N 15 66.55 1.90 . . . . 660 GLY N 50459 1 4 . 1 1 7 7 THR N N 15 72.31 1.85 . . . . 661 THR N 50459 1 5 . 1 1 8 8 LYS N N 15 48.75 1.24 . . . . 662 LYS N 50459 1 6 . 1 1 9 9 SER N N 15 40.59 1.04 . . . . 663 SER N 50459 1 7 . 1 1 10 10 LYS N N 15 31.74 1.24 . . . . 664 LYS N 50459 1 8 . 1 1 11 11 LEU N N 15 80.11 4.72 . . . . 665 LEU N 50459 1 9 . 1 1 15 15 VAL N N 15 24.15 0.72 . . . . 669 VAL N 50459 1 10 . 1 1 16 16 GLN N N 15 22.67 0.35 . . . . 670 GLN N 50459 1 11 . 1 1 17 17 ASP N N 15 23.98 1.12 . . . . 671 ASP N 50459 1 12 . 1 1 18 18 LEU N N 15 22.28 0.60 . . . . 672 LEU N 50459 1 13 . 1 1 19 19 ILE N N 15 25.20 0.58 . . . . 673 ILE N 50459 1 14 . 1 1 20 20 LYS N N 15 23.59 0.57 . . . . 674 LYS N 50459 1 15 . 1 1 21 21 MET N N 15 25.63 1.11 . . . . 675 MET N 50459 1 16 . 1 1 22 22 ILE N N 15 17.34 0.70 . . . . 676 ILE N 50459 1 17 . 1 1 23 23 PHE N N 15 23.47 0.33 . . . . 677 PHE N 50459 1 18 . 1 1 24 24 ASP N N 15 32.37 0.89 . . . . 678 ASP N 50459 1 19 . 1 1 25 25 VAL N N 15 23.30 0.91 . . . . 679 VAL N 50459 1 20 . 1 1 26 26 GLU N N 15 24.91 1.21 . . . . 680 GLU N 50459 1 21 . 1 1 27 27 SER N N 15 24.51 0.44 . . . . 681 SER N 50459 1 22 . 1 1 28 28 MET N N 15 24.47 0.20 . . . . 682 MET N 50459 1 23 . 1 1 29 29 LYS N N 15 23.65 0.47 . . . . 683 LYS N 50459 1 24 . 1 1 30 30 LYS N N 15 23.92 0.62 . . . . 684 LYS N 50459 1 25 . 1 1 31 31 ALA N N 15 24.34 0.38 . . . . 685 ALA N 50459 1 26 . 1 1 32 32 MET N N 15 23.62 1.00 . . . . 686 MET N 50459 1 27 . 1 1 33 33 VAL N N 15 24.89 0.34 . . . . 687 VAL N 50459 1 28 . 1 1 34 34 GLU N N 15 24.21 0.76 . . . . 688 GLU N 50459 1 29 . 1 1 35 35 TYR N N 15 26.38 0.40 . . . . 689 TYR N 50459 1 30 . 1 1 36 36 GLU N N 15 22.74 0.44 . . . . 690 GLU N 50459 1 31 . 1 1 37 37 ILE N N 15 24.13 0.43 . . . . 691 ILE N 50459 1 32 . 1 1 39 39 LEU N N 15 24.86 0.33 . . . . 693 LEU N 50459 1 33 . 1 1 40 40 GLN N N 15 26.15 1.03 . . . . 694 GLN N 50459 1 34 . 1 1 41 41 LYS N N 15 30.26 0.86 . . . . 695 LYS N 50459 1 35 . 1 1 42 42 MET N N 15 29.85 1.52 . . . . 696 MET N 50459 1 36 . 1 1 44 44 LEU N N 15 39.09 3.55 . . . . 698 LEU N 50459 1 37 . 1 1 46 46 LYS N N 15 22.10 0.90 . . . . 700 LYS N 50459 1 38 . 1 1 50 50 ARG N N 15 19.78 1.09 . . . . 704 ARG N 50459 1 39 . 1 1 51 51 GLN N N 15 24.94 0.29 . . . . 705 GLN N 50459 1 40 . 1 1 52 52 ILE N N 15 25.79 0.52 . . . . 706 ILE N 50459 1 41 . 1 1 53 53 GLN N N 15 23.73 0.42 . . . . 707 GLN N 50459 1 42 . 1 1 54 54 ALA N N 15 24.12 0.54 . . . . 708 ALA N 50459 1 43 . 1 1 55 55 ALA N N 15 28.20 1.88 . . . . 709 ALA N 50459 1 44 . 1 1 56 56 TYR N N 15 19.31 0.73 . . . . 710 TYR N 50459 1 45 . 1 1 57 57 SER N N 15 22.65 0.42 . . . . 711 SER N 50459 1 46 . 1 1 58 58 ILE N N 15 23.69 0.70 . . . . 712 ILE N 50459 1 47 . 1 1 59 59 LEU N N 15 31.62 0.92 . . . . 713 LEU N 50459 1 48 . 1 1 60 60 SER N N 15 23.39 0.73 . . . . 714 SER N 50459 1 49 . 1 1 61 61 GLU N N 15 24.05 0.66 . . . . 715 GLU N 50459 1 50 . 1 1 62 62 VAL N N 15 24.71 0.83 . . . . 716 VAL N 50459 1 51 . 1 1 63 63 GLN N N 15 25.28 0.96 . . . . 717 GLN N 50459 1 52 . 1 1 64 64 GLN N N 15 24.82 0.63 . . . . 718 GLN N 50459 1 53 . 1 1 65 65 ALA N N 15 23.35 0.46 . . . . 719 ALA N 50459 1 54 . 1 1 66 66 VAL N N 15 25.44 0.45 . . . . 720 VAL N 50459 1 55 . 1 1 67 67 SER N N 15 26.59 0.63 . . . . 721 SER N 50459 1 56 . 1 1 68 68 GLN N N 15 26.02 0.41 . . . . 722 GLN N 50459 1 57 . 1 1 69 69 GLY N N 15 33.16 0.63 . . . . 723 GLY N 50459 1 58 . 1 1 70 70 SER N N 15 48.82 0.99 . . . . 724 SER N 50459 1 59 . 1 1 71 71 SER N N 15 53.09 0.50 . . . . 725 SER N 50459 1 60 . 1 1 72 72 ASP N N 15 25.96 0.50 . . . . 726 ASP N 50459 1 61 . 1 1 73 73 SER N N 15 24.40 0.62 . . . . 727 SER N 50459 1 62 . 1 1 74 74 GLN N N 15 26.18 0.70 . . . . 728 GLN N 50459 1 63 . 1 1 75 75 ILE N N 15 26.63 0.71 . . . . 729 ILE N 50459 1 64 . 1 1 76 76 LEU N N 15 26.19 0.36 . . . . 730 LEU N 50459 1 65 . 1 1 77 77 ASP N N 15 25.07 0.26 . . . . 731 ASP N 50459 1 66 . 1 1 78 78 LEU N N 15 23.04 0.53 . . . . 732 LEU N 50459 1 67 . 1 1 80 80 ASN N N 15 24.61 0.43 . . . . 734 ASN N 50459 1 68 . 1 1 81 81 ARG N N 15 28.21 1.39 . . . . 735 ARG N 50459 1 69 . 1 1 82 82 PHE N N 15 29.55 2.02 . . . . 736 PHE N 50459 1 70 . 1 1 83 83 TYR N N 15 36.42 1.16 . . . . 737 TYR N 50459 1 71 . 1 1 84 84 THR N N 15 25.26 0.62 . . . . 738 THR N 50459 1 72 . 1 1 85 85 LEU N N 15 24.79 0.35 . . . . 739 LEU N 50459 1 73 . 1 1 86 86 ILE N N 15 25.74 0.35 . . . . 740 ILE N 50459 1 74 . 1 1 88 88 HIS N N 15 23.17 0.48 . . . . 742 HIS N 50459 1 75 . 1 1 89 89 ASP N N 15 25.41 0.82 . . . . 743 ASP N 50459 1 76 . 1 1 90 90 PHE N N 15 34.98 1.12 . . . . 744 PHE N 50459 1 77 . 1 1 91 91 GLY N N 15 30.56 0.63 . . . . 745 GLY N 50459 1 78 . 1 1 93 93 LYS N N 15 28.83 0.97 . . . . 747 LYS N 50459 1 79 . 1 1 94 94 LYS N N 15 37.42 0.51 . . . . 748 LYS N 50459 1 80 . 1 1 97 97 LEU N N 15 30.16 0.72 . . . . 751 LEU N 50459 1 81 . 1 1 98 98 LEU N N 15 28.08 0.72 . . . . 752 LEU N 50459 1 82 . 1 1 99 99 ASN N N 15 34.73 0.78 . . . . 753 ASN N 50459 1 83 . 1 1 100 100 ASN N N 15 26.18 0.33 . . . . 754 ASN N 50459 1 84 . 1 1 102 102 ASP N N 15 26.89 0.43 . . . . 756 ASP N 50459 1 85 . 1 1 103 103 SER N N 15 24.22 0.13 . . . . 757 SER N 50459 1 86 . 1 1 104 104 VAL N N 15 24.45 0.71 . . . . 758 VAL N 50459 1 87 . 1 1 105 105 GLN N N 15 24.30 0.66 . . . . 759 GLN N 50459 1 88 . 1 1 106 106 ALA N N 15 23.71 0.49 . . . . 760 ALA N 50459 1 89 . 1 1 107 107 LYS N N 15 22.77 0.49 . . . . 761 LYS N 50459 1 90 . 1 1 108 108 ALA N N 15 32.24 1.72 . . . . 762 ALA N 50459 1 91 . 1 1 109 109 GLU N N 15 23.46 0.56 . . . . 763 GLU N 50459 1 92 . 1 1 110 110 MET N N 15 22.83 0.49 . . . . 764 MET N 50459 1 93 . 1 1 111 111 PHE N N 15 23.94 0.62 . . . . 765 PHE N 50459 1 94 . 1 1 112 112 ASP N N 15 28.25 1.36 . . . . 766 ASP N 50459 1 95 . 1 1 113 113 ASN N N 15 26.49 0.68 . . . . 767 ASN N 50459 1 96 . 1 1 114 114 LEU N N 15 21.81 0.73 . . . . 768 LEU N 50459 1 97 . 1 1 115 115 LEU N N 15 26.61 0.57 . . . . 769 LEU N 50459 1 98 . 1 1 116 116 ASP N N 15 25.22 0.88 . . . . 770 ASP N 50459 1 99 . 1 1 117 117 ILE N N 15 21.03 0.85 . . . . 771 ILE N 50459 1 100 . 1 1 118 118 GLU N N 15 21.70 1.45 . . . . 772 GLU N 50459 1 101 . 1 1 119 119 VAL N N 15 19.27 0.74 . . . . 773 VAL N 50459 1 102 . 1 1 120 120 ALA N N 15 21.40 0.30 . . . . 774 ALA N 50459 1 103 . 1 1 121 121 TYR N N 15 22.72 0.43 . . . . 775 TYR N 50459 1 104 . 1 1 122 122 SER N N 15 24.23 0.79 . . . . 776 SER N 50459 1 105 . 1 1 123 123 LEU N N 15 26.41 0.81 . . . . 777 LEU N 50459 1 106 . 1 1 124 124 LEU N N 15 26.68 0.65 . . . . 778 LEU N 50459 1 107 . 1 1 125 125 ARG N N 15 27.76 0.44 . . . . 779 ARG N 50459 1 108 . 1 1 126 126 GLY N N 15 47.76 2.29 . . . . 780 GLY N 50459 1 109 . 1 1 127 127 GLY N N 15 80.47 2.85 . . . . 781 GLY N 50459 1 110 . 1 1 129 129 ASP N N 15 54.67 2.67 . . . . 783 ASP N 50459 1 111 . 1 1 130 130 ASP N N 15 64.17 0.55 . . . . 784 ASP N 50459 1 112 . 1 1 131 131 SER N N 15 32.27 0.85 . . . . 785 SER N 50459 1 113 . 1 1 132 132 SER N N 15 41.32 0.27 . . . . 786 SER N 50459 1 114 . 1 1 133 133 LYS N N 15 33.81 0.16 . . . . 787 LYS N 50459 1 115 . 1 1 134 134 ASP N N 15 37.11 0.97 . . . . 788 ASP N 50459 1 116 . 1 1 136 136 ILE N N 15 23.23 0.31 . . . . 790 ILE N 50459 1 117 . 1 1 137 137 ASP N N 15 27.39 0.89 . . . . 791 ASP N 50459 1 118 . 1 1 138 138 VAL N N 15 29.77 0.70 . . . . 792 VAL N 50459 1 119 . 1 1 139 139 ASN N N 15 26.04 0.52 . . . . 793 ASN N 50459 1 120 . 1 1 140 140 TYR N N 15 24.31 0.26 . . . . 794 TYR N 50459 1 121 . 1 1 141 141 GLU N N 15 25.03 0.51 . . . . 795 GLU N 50459 1 122 . 1 1 142 142 LYS N N 15 24.96 0.69 . . . . 796 LYS N 50459 1 123 . 1 1 143 143 LEU N N 15 25.64 0.98 . . . . 797 LEU N 50459 1 124 . 1 1 144 144 LYS N N 15 26.69 0.45 . . . . 798 LYS N 50459 1 125 . 1 1 145 145 THR N N 15 25.45 0.40 . . . . 799 THR N 50459 1 126 . 1 1 146 146 ASP N N 15 23.10 0.52 . . . . 800 ASP N 50459 1 127 . 1 1 147 147 ILE N N 15 25.99 0.62 . . . . 801 ILE N 50459 1 128 . 1 1 148 148 LYS N N 15 25.08 0.57 . . . . 802 LYS N 50459 1 129 . 1 1 149 149 VAL N N 15 28.73 0.49 . . . . 803 VAL N 50459 1 130 . 1 1 150 150 VAL N N 15 24.00 0.83 . . . . 804 VAL N 50459 1 131 . 1 1 151 151 ASP N N 15 27.68 0.86 . . . . 805 ASP N 50459 1 132 . 1 1 152 152 ARG N N 15 25.48 1.52 . . . . 806 ARG N 50459 1 133 . 1 1 153 153 ASP N N 15 27.12 0.21 . . . . 807 ASP N 50459 1 134 . 1 1 154 154 SER N N 15 31.92 0.42 . . . . 808 SER N 50459 1 135 . 1 1 155 155 GLU N N 15 25.28 0.62 . . . . 809 GLU N 50459 1 136 . 1 1 156 156 GLU N N 15 24.86 0.19 . . . . 810 GLU N 50459 1 137 . 1 1 157 157 ALA N N 15 24.49 0.38 . . . . 811 ALA N 50459 1 138 . 1 1 158 158 GLU N N 15 23.89 0.58 . . . . 812 GLU N 50459 1 139 . 1 1 159 159 ILE N N 15 30.11 1.30 . . . . 813 ILE N 50459 1 140 . 1 1 160 160 ILE N N 15 25.86 0.73 . . . . 814 ILE N 50459 1 141 . 1 1 161 161 ARG N N 15 24.53 0.38 . . . . 815 ARG N 50459 1 142 . 1 1 162 162 LYS N N 15 30.31 0.99 . . . . 816 LYS N 50459 1 143 . 1 1 163 163 TYR N N 15 28.21 1.13 . . . . 817 TYR N 50459 1 144 . 1 1 164 164 VAL N N 15 23.30 0.57 . . . . 818 VAL N 50459 1 145 . 1 1 165 165 LYS N N 15 16.93 1.23 . . . . 819 LYS N 50459 1 146 . 1 1 166 166 ASN N N 15 25.10 0.68 . . . . 820 ASN N 50459 1 147 . 1 1 167 167 THR N N 15 21.50 1.34 . . . . 821 THR N 50459 1 148 . 1 1 168 168 HIS N N 15 14.34 0.94 . . . . 822 HIS N 50459 1 149 . 1 1 174 174 ALA N N 15 30.47 1.30 . . . . 828 ALA N 50459 1 150 . 1 1 175 175 TYR N N 15 27.83 0.59 . . . . 829 TYR N 50459 1 151 . 1 1 176 176 ASP N N 15 22.59 0.30 . . . . 830 ASP N 50459 1 152 . 1 1 178 178 GLU N N 15 26.36 0.70 . . . . 832 GLU N 50459 1 153 . 1 1 179 179 VAL N N 15 26.60 0.62 . . . . 833 VAL N 50459 1 154 . 1 1 180 180 ILE N N 15 24.87 0.75 . . . . 834 ILE N 50459 1 155 . 1 1 181 181 ASP N N 15 28.68 0.54 . . . . 835 ASP N 50459 1 156 . 1 1 182 182 ILE N N 15 31.67 0.92 . . . . 836 ILE N 50459 1 157 . 1 1 183 183 PHE N N 15 25.45 0.83 . . . . 837 PHE N 50459 1 158 . 1 1 184 184 LYS N N 15 24.85 0.74 . . . . 838 LYS N 50459 1 159 . 1 1 185 185 ILE N N 15 26.16 0.85 . . . . 839 ILE N 50459 1 160 . 1 1 186 186 GLU N N 15 28.05 1.41 . . . . 840 GLU N 50459 1 161 . 1 1 188 188 GLU N N 15 24.70 1.22 . . . . 842 GLU N 50459 1 162 . 1 1 189 189 GLY N N 15 28.12 1.86 . . . . 843 GLY N 50459 1 163 . 1 1 190 190 GLU N N 15 21.96 0.36 . . . . 844 GLU N 50459 1 164 . 1 1 191 191 CYS N N 15 24.97 1.20 . . . . 845 CYS N 50459 1 165 . 1 1 192 192 GLN N N 15 33.62 1.16 . . . . 846 GLN N 50459 1 166 . 1 1 193 193 ARG N N 15 24.72 0.75 . . . . 847 ARG N 50459 1 167 . 1 1 194 194 TYR N N 15 23.84 0.38 . . . . 848 TYR N 50459 1 168 . 1 1 195 195 LYS N N 15 24.65 0.49 . . . . 849 LYS N 50459 1 169 . 1 1 197 197 PHE N N 15 25.43 2.02 . . . . 851 PHE N 50459 1 170 . 1 1 198 198 LYS N N 15 35.26 1.21 . . . . 852 LYS N 50459 1 171 . 1 1 199 199 GLN N N 15 30.16 0.50 . . . . 853 GLN N 50459 1 172 . 1 1 200 200 LEU N N 15 22.93 0.67 . . . . 854 LEU N 50459 1 173 . 1 1 201 201 HIS N N 15 23.32 0.65 . . . . 855 HIS N 50459 1 174 . 1 1 202 202 ASN N N 15 28.44 0.15 . . . . 856 ASN N 50459 1 175 . 1 1 203 203 ARG N N 15 26.39 0.55 . . . . 857 ARG N 50459 1 176 . 1 1 204 204 ARG N N 15 28.04 2.89 . . . . 858 ARG N 50459 1 177 . 1 1 205 205 LEU N N 15 27.50 1.08 . . . . 859 LEU N 50459 1 178 . 1 1 206 206 LEU N N 15 26.25 1.42 . . . . 860 LEU N 50459 1 179 . 1 1 207 207 TRP N N 15 25.98 0.76 . . . . 861 TRP N 50459 1 180 . 1 1 208 208 HIS N N 15 25.83 1.68 . . . . 862 HIS N 50459 1 181 . 1 1 210 210 SER N N 15 23.65 1.40 . . . . 864 SER N 50459 1 182 . 1 1 211 211 ARG N N 15 44.92 2.48 . . . . 865 ARG N 50459 1 183 . 1 1 212 212 THR N N 15 26.81 0.97 . . . . 866 THR N 50459 1 184 . 1 1 213 213 THR N N 15 24.27 0.65 . . . . 867 THR N 50459 1 185 . 1 1 214 214 ASN N N 15 23.59 0.42 . . . . 868 ASN N 50459 1 186 . 1 1 215 215 PHE N N 15 24.99 1.50 . . . . 869 PHE N 50459 1 187 . 1 1 216 216 ALA N N 15 22.93 0.37 . . . . 870 ALA N 50459 1 188 . 1 1 217 217 GLY N N 15 25.55 1.26 . . . . 871 GLY N 50459 1 189 . 1 1 218 218 ILE N N 15 29.40 0.97 . . . . 872 ILE N 50459 1 190 . 1 1 219 219 LEU N N 15 23.92 0.83 . . . . 873 LEU N 50459 1 191 . 1 1 220 220 SER N N 15 26.41 0.51 . . . . 874 SER N 50459 1 192 . 1 1 221 221 GLN N N 15 25.98 0.60 . . . . 875 GLN N 50459 1 193 . 1 1 222 222 GLY N N 15 24.38 0.41 . . . . 876 GLY N 50459 1 194 . 1 1 223 223 LEU N N 15 44.28 1.79 . . . . 877 LEU N 50459 1 195 . 1 1 224 224 ARG N N 15 38.24 1.93 . . . . 878 ARG N 50459 1 196 . 1 1 225 225 ILE N N 15 26.96 0.95 . . . . 879 ILE N 50459 1 197 . 1 1 226 226 ALA N N 15 24.80 0.85 . . . . 880 ALA N 50459 1 198 . 1 1 229 229 GLU N N 15 26.93 0.61 . . . . 883 GLU N 50459 1 199 . 1 1 230 230 ALA N N 15 24.18 1.13 . . . . 884 ALA N 50459 1 200 . 1 1 234 234 GLY N N 15 30.88 1.08 . . . . 888 GLY N 50459 1 201 . 1 1 235 235 TYR N N 15 26.46 0.90 . . . . 889 TYR N 50459 1 202 . 1 1 238 238 GLY N N 15 25.93 0.57 . . . . 892 GLY N 50459 1 203 . 1 1 239 239 LYS N N 15 25.38 2.80 . . . . 893 LYS N 50459 1 204 . 1 1 240 240 GLY N N 15 31.36 0.42 . . . . 894 GLY N 50459 1 205 . 1 1 241 241 ILE N N 15 27.84 1.00 . . . . 895 ILE N 50459 1 206 . 1 1 242 242 TYR N N 15 24.19 0.98 . . . . 896 TYR N 50459 1 207 . 1 1 244 244 ALA N N 15 26.50 1.13 . . . . 898 ALA N 50459 1 208 . 1 1 245 245 ASP N N 15 25.90 1.83 . . . . 899 ASP N 50459 1 209 . 1 1 246 246 MET N N 15 27.53 0.87 . . . . 900 MET N 50459 1 210 . 1 1 247 247 VAL N N 15 26.85 0.50 . . . . 901 VAL N 50459 1 211 . 1 1 248 248 SER N N 15 34.39 1.12 . . . . 902 SER N 50459 1 212 . 1 1 251 251 ALA N N 15 28.41 1.47 . . . . 905 ALA N 50459 1 213 . 1 1 252 252 ASN N N 15 29.86 2.00 . . . . 906 ASN N 50459 1 214 . 1 1 253 253 TYR N N 15 26.93 4.63 . . . . 907 TYR N 50459 1 215 . 1 1 254 254 CYS N N 15 27.09 0.93 . . . . 908 CYS N 50459 1 216 . 1 1 255 255 HIS N N 15 25.96 0.24 . . . . 909 HIS N 50459 1 217 . 1 1 256 256 THR N N 15 24.21 0.41 . . . . 910 THR N 50459 1 218 . 1 1 257 257 SER N N 15 27.18 1.56 . . . . 911 SER N 50459 1 219 . 1 1 258 258 GLN N N 15 25.29 0.32 . . . . 912 GLN N 50459 1 220 . 1 1 259 259 GLY N N 15 23.18 1.33 . . . . 913 GLY N 50459 1 221 . 1 1 260 260 ASP N N 15 30.21 0.37 . . . . 914 ASP N 50459 1 222 . 1 1 262 262 ILE N N 15 25.34 0.70 . . . . 916 ILE N 50459 1 223 . 1 1 263 263 GLY N N 15 25.03 0.63 . . . . 917 GLY N 50459 1 224 . 1 1 264 264 LEU N N 15 26.41 1.14 . . . . 918 LEU N 50459 1 225 . 1 1 267 267 LEU N N 15 23.40 0.83 . . . . 921 LEU N 50459 1 226 . 1 1 268 268 GLY N N 15 26.02 0.67 . . . . 922 GLY N 50459 1 227 . 1 1 269 269 GLU N N 15 23.95 0.52 . . . . 923 GLU N 50459 1 228 . 1 1 270 270 VAL N N 15 23.79 0.26 . . . . 924 VAL N 50459 1 229 . 1 1 271 271 ALA N N 15 24.35 0.51 . . . . 925 ALA N 50459 1 230 . 1 1 272 272 LEU N N 15 25.43 1.04 . . . . 926 LEU N 50459 1 231 . 1 1 273 273 GLY N N 15 24.01 0.85 . . . . 927 GLY N 50459 1 232 . 1 1 274 274 ASN N N 15 26.30 0.51 . . . . 928 ASN N 50459 1 233 . 1 1 275 275 MET N N 15 27.11 0.35 . . . . 929 MET N 50459 1 234 . 1 1 276 276 TYR N N 15 24.24 0.70 . . . . 930 TYR N 50459 1 235 . 1 1 277 277 GLU N N 15 25.96 0.90 . . . . 931 GLU N 50459 1 236 . 1 1 278 278 LEU N N 15 27.63 1.03 . . . . 932 LEU N 50459 1 237 . 1 1 279 279 LYS N N 15 26.72 1.36 . . . . 933 LYS N 50459 1 238 . 1 1 280 280 HIS N N 15 27.91 0.43 . . . . 934 HIS N 50459 1 239 . 1 1 281 281 ALA N N 15 28.47 1.86 . . . . 935 ALA N 50459 1 240 . 1 1 284 284 ILE N N 15 32.44 0.92 . . . . 938 ILE N 50459 1 241 . 1 1 285 285 SER N N 15 23.14 2.86 . . . . 939 SER N 50459 1 242 . 1 1 287 287 LEU N N 15 29.94 0.63 . . . . 941 LEU N 50459 1 243 . 1 1 289 289 LYS N N 15 26.98 1.11 . . . . 943 LYS N 50459 1 244 . 1 1 291 291 LYS N N 15 26.61 0.77 . . . . 945 LYS N 50459 1 245 . 1 1 292 292 HIS N N 15 26.51 0.61 . . . . 946 HIS N 50459 1 246 . 1 1 293 293 SER N N 15 22.47 1.45 . . . . 947 SER N 50459 1 247 . 1 1 294 294 VAL N N 15 38.06 1.22 . . . . 948 VAL N 50459 1 248 . 1 1 295 295 LYS N N 15 23.71 1.54 . . . . 949 LYS N 50459 1 249 . 1 1 296 296 GLY N N 15 25.22 2.58 . . . . 950 GLY N 50459 1 250 . 1 1 297 297 LEU N N 15 26.65 1.40 . . . . 951 LEU N 50459 1 251 . 1 1 298 298 GLY N N 15 24.20 1.06 . . . . 952 GLY N 50459 1 252 . 1 1 299 299 LYS N N 15 25.52 0.50 . . . . 953 LYS N 50459 1 253 . 1 1 300 300 THR N N 15 25.28 0.84 . . . . 954 THR N 50459 1 254 . 1 1 301 301 THR N N 15 24.73 0.39 . . . . 955 THR N 50459 1 255 . 1 1 303 303 ASP N N 15 29.65 0.84 . . . . 957 ASP N 50459 1 256 . 1 1 305 305 SER N N 15 23.92 0.37 . . . . 959 SER N 50459 1 257 . 1 1 306 306 ALA N N 15 24.55 0.57 . . . . 960 ALA N 50459 1 258 . 1 1 307 307 ASN N N 15 30.15 0.43 . . . . 961 ASN N 50459 1 259 . 1 1 308 308 ILE N N 15 25.86 0.76 . . . . 962 ILE N 50459 1 260 . 1 1 309 309 SER N N 15 32.50 0.46 . . . . 963 SER N 50459 1 261 . 1 1 310 310 LEU N N 15 27.39 0.52 . . . . 964 LEU N 50459 1 262 . 1 1 311 311 ASP N N 15 25.02 0.52 . . . . 965 ASP N 50459 1 263 . 1 1 312 312 GLY N N 15 26.48 0.17 . . . . 966 GLY N 50459 1 264 . 1 1 313 313 VAL N N 15 25.95 0.39 . . . . 967 VAL N 50459 1 265 . 1 1 314 314 ASP N N 15 24.91 0.54 . . . . 968 ASP N 50459 1 266 . 1 1 315 315 VAL N N 15 26.72 0.75 . . . . 969 VAL N 50459 1 267 . 1 1 317 317 LEU N N 15 52.22 3.00 . . . . 971 LEU N 50459 1 268 . 1 1 318 318 GLY N N 15 26.16 0.84 . . . . 972 GLY N 50459 1 269 . 1 1 319 319 THR N N 15 24.73 0.50 . . . . 973 THR N 50459 1 270 . 1 1 320 320 GLY N N 15 26.84 0.43 . . . . 974 GLY N 50459 1 271 . 1 1 321 321 ILE N N 15 25.77 0.53 . . . . 975 ILE N 50459 1 272 . 1 1 322 322 SER N N 15 26.78 1.13 . . . . 976 SER N 50459 1 273 . 1 1 323 323 SER N N 15 27.39 0.95 . . . . 977 SER N 50459 1 274 . 1 1 324 324 GLY N N 15 27.62 0.59 . . . . 978 GLY N 50459 1 275 . 1 1 325 325 VAL N N 15 25.48 0.38 . . . . 979 VAL N 50459 1 276 . 1 1 326 326 ASN N N 15 24.58 0.94 . . . . 980 ASN N 50459 1 277 . 1 1 328 328 THR N N 15 37.54 0.54 . . . . 982 THR N 50459 1 278 . 1 1 329 329 SER N N 15 27.30 1.45 . . . . 983 SER N 50459 1 279 . 1 1 330 330 LEU N N 15 25.80 0.73 . . . . 984 LEU N 50459 1 280 . 1 1 331 331 LEU N N 15 22.43 1.77 . . . . 985 LEU N 50459 1 281 . 1 1 332 332 TYR N N 15 25.61 1.41 . . . . 986 TYR N 50459 1 282 . 1 1 333 333 ASN N N 15 24.23 2.29 . . . . 987 ASN N 50459 1 283 . 1 1 336 336 ILE N N 15 23.72 0.81 . . . . 990 ILE N 50459 1 284 . 1 1 339 339 ASP N N 15 25.56 0.74 . . . . 993 ASP N 50459 1 285 . 1 1 340 340 ILE N N 15 24.82 2.73 . . . . 994 ILE N 50459 1 286 . 1 1 341 341 ALA N N 15 22.45 0.46 . . . . 995 ALA N 50459 1 287 . 1 1 342 342 GLN N N 15 26.06 0.45 . . . . 996 GLN N 50459 1 288 . 1 1 343 343 VAL N N 15 26.71 1.00 . . . . 997 VAL N 50459 1 289 . 1 1 344 344 ASN N N 15 26.45 0.46 . . . . 998 ASN N 50459 1 290 . 1 1 346 346 LYS N N 15 24.33 0.55 . . . . 1000 LYS N 50459 1 291 . 1 1 347 347 TYR N N 15 24.61 0.35 . . . . 1001 TYR N 50459 1 292 . 1 1 348 348 LEU N N 15 22.91 0.54 . . . . 1002 LEU N 50459 1 293 . 1 1 349 349 LEU N N 15 22.94 0.31 . . . . 1003 LEU N 50459 1 294 . 1 1 350 350 LYS N N 15 26.60 0.41 . . . . 1004 LYS N 50459 1 295 . 1 1 351 351 LEU N N 15 27.36 0.39 . . . . 1005 LEU N 50459 1 296 . 1 1 352 352 LYS N N 15 24.86 0.81 . . . . 1006 LYS N 50459 1 297 . 1 1 353 353 PHE N N 15 23.30 1.22 . . . . 1007 PHE N 50459 1 298 . 1 1 354 354 ASN N N 15 28.62 0.64 . . . . 1008 ASN N 50459 1 299 . 1 1 355 355 PHE N N 15 35.19 0.71 . . . . 1009 PHE N 50459 1 300 . 1 1 356 356 LYS N N 15 49.59 1.37 . . . . 1010 LYS N 50459 1 301 . 1 1 357 357 THR N N 15 77.21 2.59 . . . . 1011 THR N 50459 1 302 . 1 1 358 358 SER N N 15 152.28 11.40 . . . . 1012 SER N 50459 1 303 . 1 1 359 359 LEU N N 15 223.98 9.65 . . . . 1013 LEU N 50459 1 304 . 1 1 360 360 TRP N N 15 368.85 13.79 . . . . 1014 TRP N 50459 1 stop_ save_