data_50454 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50454 _Entry.Title ; human PARP-1 CAT domain HN, N, CA and CB assignments and backbone amide group 15N relaxation data ; _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 'HN, N, CA and CB chemical shifts and backbone amide group 15N relaxation data for human PARP-1 CAT domain' _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 50454 2 Ji-Chun Yang . . . 0000-0003-1933-5372 50454 3 David Neuhaus . . . 0000-0002-8561-7485 50454 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50454 heteronucl_NOEs 1 50454 heteronucl_T1_relaxation 1 50454 heteronucl_T1rho_relaxation 1 50454 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 657 50454 '15N chemical shifts' 663 50454 '1H chemical shifts' 665 50454 'T1 relaxation values' 328 50454 'T1rho relaxation values' 325 50454 'heteronuclear NOE values' 327 50454 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' 50454 1 . . 2020-09-15 2020-09-03 original author 'original release' 50454 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50455 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to veliparib' 50454 BMRB 50456 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to olaparib' 50454 BMRB 50457 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to talazoparib' 50454 BMRB 50458 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain complexed to EB-47' 50454 BMRB 50459 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L765F mutant' 50454 BMRB 50460 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L765A mutant' 50454 BMRB 50461 'Backbone amide group 15N and 1H assignments and 15N relaxation data for human PARP-1 CAT domain L713F mutant' 50454 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50454 _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. . . 50454 1 2 Ji-Chun Yang . . . . 50454 1 3 Marianne Schimpl . . . . 50454 1 4 Laura Easton . E. . . 50454 1 5 Elizabeth Underwood . . . . 50454 1 6 Philip Rawlins . B. . . 50454 1 7 Michael McCauley . M. . . 50454 1 8 Marie-France Langelier . . . . 50454 1 9 John Pascal . M. . . 50454 1 10 Kevin Embrey . J. . . 50454 1 11 David Neuhaus . . . . 50454 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50454 _Assembly.ID 1 _Assembly.Name PARP-1_CAT_domain_monomer _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 1 $entity_1 . . yes native no no . . . 50454 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID PARylation 50454 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50454 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTVNPGTKSKLPKPVQDLIK MIFDVESMKKAMVEYEIDLQ KMPLGKLSKRQIQAAYSILS EVQQAVSQGSSDSQILDLSN RFYTLIPHDFGMKKPPLLNN ADSVQAKAEMLDNLLDIEVA YSLLRGGSDDSSKDPIDVNY EKLKTDIKVVDRDSEEAEII RKYVKNTHATTHNAYDLEVI DIFKIEREGECQRYKPFKQL HNRRLLWHGSRTTNFAGILS QGLRIAPPEAPVTGYMFGKG IYFADMVSKSANYCHTSQGD PIGLILLGEVALGNMYELKH ASHISKLPKGKHSVKGLGKT TPDPSANISLDGVDVPLGTG ISSGVNDTSLLYNEYIVYDI AQVNLKYLLKLKFNFKTSLW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first residue in the sequence supplied here is a non-native glycine arising from cloning. The remaining residues are residues 656-1014 of human PARP-1 (the isoform having Ala at position 762). ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 360 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 655 GLY . 50454 1 2 656 THR . 50454 1 3 657 VAL . 50454 1 4 658 ASN . 50454 1 5 659 PRO . 50454 1 6 660 GLY . 50454 1 7 661 THR . 50454 1 8 662 LYS . 50454 1 9 663 SER . 50454 1 10 664 LYS . 50454 1 11 665 LEU . 50454 1 12 666 PRO . 50454 1 13 667 LYS . 50454 1 14 668 PRO . 50454 1 15 669 VAL . 50454 1 16 670 GLN . 50454 1 17 671 ASP . 50454 1 18 672 LEU . 50454 1 19 673 ILE . 50454 1 20 674 LYS . 50454 1 21 675 MET . 50454 1 22 676 ILE . 50454 1 23 677 PHE . 50454 1 24 678 ASP . 50454 1 25 679 VAL . 50454 1 26 680 GLU . 50454 1 27 681 SER . 50454 1 28 682 MET . 50454 1 29 683 LYS . 50454 1 30 684 LYS . 50454 1 31 685 ALA . 50454 1 32 686 MET . 50454 1 33 687 VAL . 50454 1 34 688 GLU . 50454 1 35 689 TYR . 50454 1 36 690 GLU . 50454 1 37 691 ILE . 50454 1 38 692 ASP . 50454 1 39 693 LEU . 50454 1 40 694 GLN . 50454 1 41 695 LYS . 50454 1 42 696 MET . 50454 1 43 697 PRO . 50454 1 44 698 LEU . 50454 1 45 699 GLY . 50454 1 46 700 LYS . 50454 1 47 701 LEU . 50454 1 48 702 SER . 50454 1 49 703 LYS . 50454 1 50 704 ARG . 50454 1 51 705 GLN . 50454 1 52 706 ILE . 50454 1 53 707 GLN . 50454 1 54 708 ALA . 50454 1 55 709 ALA . 50454 1 56 710 TYR . 50454 1 57 711 SER . 50454 1 58 712 ILE . 50454 1 59 713 LEU . 50454 1 60 714 SER . 50454 1 61 715 GLU . 50454 1 62 716 VAL . 50454 1 63 717 GLN . 50454 1 64 718 GLN . 50454 1 65 719 ALA . 50454 1 66 720 VAL . 50454 1 67 721 SER . 50454 1 68 722 GLN . 50454 1 69 723 GLY . 50454 1 70 724 SER . 50454 1 71 725 SER . 50454 1 72 726 ASP . 50454 1 73 727 SER . 50454 1 74 728 GLN . 50454 1 75 729 ILE . 50454 1 76 730 LEU . 50454 1 77 731 ASP . 50454 1 78 732 LEU . 50454 1 79 733 SER . 50454 1 80 734 ASN . 50454 1 81 735 ARG . 50454 1 82 736 PHE . 50454 1 83 737 TYR . 50454 1 84 738 THR . 50454 1 85 739 LEU . 50454 1 86 740 ILE . 50454 1 87 741 PRO . 50454 1 88 742 HIS . 50454 1 89 743 ASP . 50454 1 90 744 PHE . 50454 1 91 745 GLY . 50454 1 92 746 MET . 50454 1 93 747 LYS . 50454 1 94 748 LYS . 50454 1 95 749 PRO . 50454 1 96 750 PRO . 50454 1 97 751 LEU . 50454 1 98 752 LEU . 50454 1 99 753 ASN . 50454 1 100 754 ASN . 50454 1 101 755 ALA . 50454 1 102 756 ASP . 50454 1 103 757 SER . 50454 1 104 758 VAL . 50454 1 105 759 GLN . 50454 1 106 760 ALA . 50454 1 107 761 LYS . 50454 1 108 762 ALA . 50454 1 109 763 GLU . 50454 1 110 764 MET . 50454 1 111 765 LEU . 50454 1 112 766 ASP . 50454 1 113 767 ASN . 50454 1 114 768 LEU . 50454 1 115 769 LEU . 50454 1 116 770 ASP . 50454 1 117 771 ILE . 50454 1 118 772 GLU . 50454 1 119 773 VAL . 50454 1 120 774 ALA . 50454 1 121 775 TYR . 50454 1 122 776 SER . 50454 1 123 777 LEU . 50454 1 124 778 LEU . 50454 1 125 779 ARG . 50454 1 126 780 GLY . 50454 1 127 781 GLY . 50454 1 128 782 SER . 50454 1 129 783 ASP . 50454 1 130 784 ASP . 50454 1 131 785 SER . 50454 1 132 786 SER . 50454 1 133 787 LYS . 50454 1 134 788 ASP . 50454 1 135 789 PRO . 50454 1 136 790 ILE . 50454 1 137 791 ASP . 50454 1 138 792 VAL . 50454 1 139 793 ASN . 50454 1 140 794 TYR . 50454 1 141 795 GLU . 50454 1 142 796 LYS . 50454 1 143 797 LEU . 50454 1 144 798 LYS . 50454 1 145 799 THR . 50454 1 146 800 ASP . 50454 1 147 801 ILE . 50454 1 148 802 LYS . 50454 1 149 803 VAL . 50454 1 150 804 VAL . 50454 1 151 805 ASP . 50454 1 152 806 ARG . 50454 1 153 807 ASP . 50454 1 154 808 SER . 50454 1 155 809 GLU . 50454 1 156 810 GLU . 50454 1 157 811 ALA . 50454 1 158 812 GLU . 50454 1 159 813 ILE . 50454 1 160 814 ILE . 50454 1 161 815 ARG . 50454 1 162 816 LYS . 50454 1 163 817 TYR . 50454 1 164 818 VAL . 50454 1 165 819 LYS . 50454 1 166 820 ASN . 50454 1 167 821 THR . 50454 1 168 822 HIS . 50454 1 169 823 ALA . 50454 1 170 824 THR . 50454 1 171 825 THR . 50454 1 172 826 HIS . 50454 1 173 827 ASN . 50454 1 174 828 ALA . 50454 1 175 829 TYR . 50454 1 176 830 ASP . 50454 1 177 831 LEU . 50454 1 178 832 GLU . 50454 1 179 833 VAL . 50454 1 180 834 ILE . 50454 1 181 835 ASP . 50454 1 182 836 ILE . 50454 1 183 837 PHE . 50454 1 184 838 LYS . 50454 1 185 839 ILE . 50454 1 186 840 GLU . 50454 1 187 841 ARG . 50454 1 188 842 GLU . 50454 1 189 843 GLY . 50454 1 190 844 GLU . 50454 1 191 845 CYS . 50454 1 192 846 GLN . 50454 1 193 847 ARG . 50454 1 194 848 TYR . 50454 1 195 849 LYS . 50454 1 196 850 PRO . 50454 1 197 851 PHE . 50454 1 198 852 LYS . 50454 1 199 853 GLN . 50454 1 200 854 LEU . 50454 1 201 855 HIS . 50454 1 202 856 ASN . 50454 1 203 857 ARG . 50454 1 204 858 ARG . 50454 1 205 859 LEU . 50454 1 206 860 LEU . 50454 1 207 861 TRP . 50454 1 208 862 HIS . 50454 1 209 863 GLY . 50454 1 210 864 SER . 50454 1 211 865 ARG . 50454 1 212 866 THR . 50454 1 213 867 THR . 50454 1 214 868 ASN . 50454 1 215 869 PHE . 50454 1 216 870 ALA . 50454 1 217 871 GLY . 50454 1 218 872 ILE . 50454 1 219 873 LEU . 50454 1 220 874 SER . 50454 1 221 875 GLN . 50454 1 222 876 GLY . 50454 1 223 877 LEU . 50454 1 224 878 ARG . 50454 1 225 879 ILE . 50454 1 226 880 ALA . 50454 1 227 881 PRO . 50454 1 228 882 PRO . 50454 1 229 883 GLU . 50454 1 230 884 ALA . 50454 1 231 885 PRO . 50454 1 232 886 VAL . 50454 1 233 887 THR . 50454 1 234 888 GLY . 50454 1 235 889 TYR . 50454 1 236 890 MET . 50454 1 237 891 PHE . 50454 1 238 892 GLY . 50454 1 239 893 LYS . 50454 1 240 894 GLY . 50454 1 241 895 ILE . 50454 1 242 896 TYR . 50454 1 243 897 PHE . 50454 1 244 898 ALA . 50454 1 245 899 ASP . 50454 1 246 900 MET . 50454 1 247 901 VAL . 50454 1 248 902 SER . 50454 1 249 903 LYS . 50454 1 250 904 SER . 50454 1 251 905 ALA . 50454 1 252 906 ASN . 50454 1 253 907 TYR . 50454 1 254 908 CYS . 50454 1 255 909 HIS . 50454 1 256 910 THR . 50454 1 257 911 SER . 50454 1 258 912 GLN . 50454 1 259 913 GLY . 50454 1 260 914 ASP . 50454 1 261 915 PRO . 50454 1 262 916 ILE . 50454 1 263 917 GLY . 50454 1 264 918 LEU . 50454 1 265 919 ILE . 50454 1 266 920 LEU . 50454 1 267 921 LEU . 50454 1 268 922 GLY . 50454 1 269 923 GLU . 50454 1 270 924 VAL . 50454 1 271 925 ALA . 50454 1 272 926 LEU . 50454 1 273 927 GLY . 50454 1 274 928 ASN . 50454 1 275 929 MET . 50454 1 276 930 TYR . 50454 1 277 931 GLU . 50454 1 278 932 LEU . 50454 1 279 933 LYS . 50454 1 280 934 HIS . 50454 1 281 935 ALA . 50454 1 282 936 SER . 50454 1 283 937 HIS . 50454 1 284 938 ILE . 50454 1 285 939 SER . 50454 1 286 940 LYS . 50454 1 287 941 LEU . 50454 1 288 942 PRO . 50454 1 289 943 LYS . 50454 1 290 944 GLY . 50454 1 291 945 LYS . 50454 1 292 946 HIS . 50454 1 293 947 SER . 50454 1 294 948 VAL . 50454 1 295 949 LYS . 50454 1 296 950 GLY . 50454 1 297 951 LEU . 50454 1 298 952 GLY . 50454 1 299 953 LYS . 50454 1 300 954 THR . 50454 1 301 955 THR . 50454 1 302 956 PRO . 50454 1 303 957 ASP . 50454 1 304 958 PRO . 50454 1 305 959 SER . 50454 1 306 960 ALA . 50454 1 307 961 ASN . 50454 1 308 962 ILE . 50454 1 309 963 SER . 50454 1 310 964 LEU . 50454 1 311 965 ASP . 50454 1 312 966 GLY . 50454 1 313 967 VAL . 50454 1 314 968 ASP . 50454 1 315 969 VAL . 50454 1 316 970 PRO . 50454 1 317 971 LEU . 50454 1 318 972 GLY . 50454 1 319 973 THR . 50454 1 320 974 GLY . 50454 1 321 975 ILE . 50454 1 322 976 SER . 50454 1 323 977 SER . 50454 1 324 978 GLY . 50454 1 325 979 VAL . 50454 1 326 980 ASN . 50454 1 327 981 ASP . 50454 1 328 982 THR . 50454 1 329 983 SER . 50454 1 330 984 LEU . 50454 1 331 985 LEU . 50454 1 332 986 TYR . 50454 1 333 987 ASN . 50454 1 334 988 GLU . 50454 1 335 989 TYR . 50454 1 336 990 ILE . 50454 1 337 991 VAL . 50454 1 338 992 TYR . 50454 1 339 993 ASP . 50454 1 340 994 ILE . 50454 1 341 995 ALA . 50454 1 342 996 GLN . 50454 1 343 997 VAL . 50454 1 344 998 ASN . 50454 1 345 999 LEU . 50454 1 346 1000 LYS . 50454 1 347 1001 TYR . 50454 1 348 1002 LEU . 50454 1 349 1003 LEU . 50454 1 350 1004 LYS . 50454 1 351 1005 LEU . 50454 1 352 1006 LYS . 50454 1 353 1007 PHE . 50454 1 354 1008 ASN . 50454 1 355 1009 PHE . 50454 1 356 1010 LYS . 50454 1 357 1011 THR . 50454 1 358 1012 SER . 50454 1 359 1013 LEU . 50454 1 360 1014 TRP . 50454 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 50454 1 . THR 2 2 50454 1 . VAL 3 3 50454 1 . ASN 4 4 50454 1 . PRO 5 5 50454 1 . GLY 6 6 50454 1 . THR 7 7 50454 1 . LYS 8 8 50454 1 . SER 9 9 50454 1 . LYS 10 10 50454 1 . LEU 11 11 50454 1 . PRO 12 12 50454 1 . LYS 13 13 50454 1 . PRO 14 14 50454 1 . VAL 15 15 50454 1 . GLN 16 16 50454 1 . ASP 17 17 50454 1 . LEU 18 18 50454 1 . ILE 19 19 50454 1 . LYS 20 20 50454 1 . MET 21 21 50454 1 . ILE 22 22 50454 1 . PHE 23 23 50454 1 . ASP 24 24 50454 1 . VAL 25 25 50454 1 . GLU 26 26 50454 1 . SER 27 27 50454 1 . MET 28 28 50454 1 . LYS 29 29 50454 1 . LYS 30 30 50454 1 . ALA 31 31 50454 1 . MET 32 32 50454 1 . VAL 33 33 50454 1 . GLU 34 34 50454 1 . TYR 35 35 50454 1 . GLU 36 36 50454 1 . ILE 37 37 50454 1 . ASP 38 38 50454 1 . LEU 39 39 50454 1 . GLN 40 40 50454 1 . LYS 41 41 50454 1 . MET 42 42 50454 1 . PRO 43 43 50454 1 . LEU 44 44 50454 1 . GLY 45 45 50454 1 . LYS 46 46 50454 1 . LEU 47 47 50454 1 . SER 48 48 50454 1 . LYS 49 49 50454 1 . ARG 50 50 50454 1 . GLN 51 51 50454 1 . ILE 52 52 50454 1 . GLN 53 53 50454 1 . ALA 54 54 50454 1 . ALA 55 55 50454 1 . TYR 56 56 50454 1 . SER 57 57 50454 1 . ILE 58 58 50454 1 . LEU 59 59 50454 1 . SER 60 60 50454 1 . GLU 61 61 50454 1 . VAL 62 62 50454 1 . GLN 63 63 50454 1 . GLN 64 64 50454 1 . ALA 65 65 50454 1 . VAL 66 66 50454 1 . SER 67 67 50454 1 . GLN 68 68 50454 1 . GLY 69 69 50454 1 . SER 70 70 50454 1 . SER 71 71 50454 1 . ASP 72 72 50454 1 . SER 73 73 50454 1 . GLN 74 74 50454 1 . ILE 75 75 50454 1 . LEU 76 76 50454 1 . ASP 77 77 50454 1 . LEU 78 78 50454 1 . SER 79 79 50454 1 . ASN 80 80 50454 1 . ARG 81 81 50454 1 . PHE 82 82 50454 1 . TYR 83 83 50454 1 . THR 84 84 50454 1 . LEU 85 85 50454 1 . ILE 86 86 50454 1 . PRO 87 87 50454 1 . HIS 88 88 50454 1 . ASP 89 89 50454 1 . PHE 90 90 50454 1 . GLY 91 91 50454 1 . MET 92 92 50454 1 . LYS 93 93 50454 1 . LYS 94 94 50454 1 . PRO 95 95 50454 1 . PRO 96 96 50454 1 . LEU 97 97 50454 1 . LEU 98 98 50454 1 . ASN 99 99 50454 1 . ASN 100 100 50454 1 . ALA 101 101 50454 1 . ASP 102 102 50454 1 . SER 103 103 50454 1 . VAL 104 104 50454 1 . GLN 105 105 50454 1 . ALA 106 106 50454 1 . LYS 107 107 50454 1 . ALA 108 108 50454 1 . GLU 109 109 50454 1 . MET 110 110 50454 1 . LEU 111 111 50454 1 . ASP 112 112 50454 1 . ASN 113 113 50454 1 . LEU 114 114 50454 1 . LEU 115 115 50454 1 . ASP 116 116 50454 1 . ILE 117 117 50454 1 . GLU 118 118 50454 1 . VAL 119 119 50454 1 . ALA 120 120 50454 1 . TYR 121 121 50454 1 . SER 122 122 50454 1 . LEU 123 123 50454 1 . LEU 124 124 50454 1 . ARG 125 125 50454 1 . GLY 126 126 50454 1 . GLY 127 127 50454 1 . SER 128 128 50454 1 . ASP 129 129 50454 1 . ASP 130 130 50454 1 . SER 131 131 50454 1 . SER 132 132 50454 1 . LYS 133 133 50454 1 . ASP 134 134 50454 1 . PRO 135 135 50454 1 . ILE 136 136 50454 1 . ASP 137 137 50454 1 . VAL 138 138 50454 1 . ASN 139 139 50454 1 . TYR 140 140 50454 1 . GLU 141 141 50454 1 . LYS 142 142 50454 1 . LEU 143 143 50454 1 . LYS 144 144 50454 1 . THR 145 145 50454 1 . ASP 146 146 50454 1 . ILE 147 147 50454 1 . LYS 148 148 50454 1 . VAL 149 149 50454 1 . VAL 150 150 50454 1 . ASP 151 151 50454 1 . ARG 152 152 50454 1 . ASP 153 153 50454 1 . SER 154 154 50454 1 . GLU 155 155 50454 1 . GLU 156 156 50454 1 . ALA 157 157 50454 1 . GLU 158 158 50454 1 . ILE 159 159 50454 1 . ILE 160 160 50454 1 . ARG 161 161 50454 1 . LYS 162 162 50454 1 . TYR 163 163 50454 1 . VAL 164 164 50454 1 . LYS 165 165 50454 1 . ASN 166 166 50454 1 . THR 167 167 50454 1 . HIS 168 168 50454 1 . ALA 169 169 50454 1 . THR 170 170 50454 1 . THR 171 171 50454 1 . HIS 172 172 50454 1 . ASN 173 173 50454 1 . ALA 174 174 50454 1 . TYR 175 175 50454 1 . ASP 176 176 50454 1 . LEU 177 177 50454 1 . GLU 178 178 50454 1 . VAL 179 179 50454 1 . ILE 180 180 50454 1 . ASP 181 181 50454 1 . ILE 182 182 50454 1 . PHE 183 183 50454 1 . LYS 184 184 50454 1 . ILE 185 185 50454 1 . GLU 186 186 50454 1 . ARG 187 187 50454 1 . GLU 188 188 50454 1 . GLY 189 189 50454 1 . GLU 190 190 50454 1 . CYS 191 191 50454 1 . GLN 192 192 50454 1 . ARG 193 193 50454 1 . TYR 194 194 50454 1 . LYS 195 195 50454 1 . PRO 196 196 50454 1 . PHE 197 197 50454 1 . LYS 198 198 50454 1 . GLN 199 199 50454 1 . LEU 200 200 50454 1 . HIS 201 201 50454 1 . ASN 202 202 50454 1 . ARG 203 203 50454 1 . ARG 204 204 50454 1 . LEU 205 205 50454 1 . LEU 206 206 50454 1 . TRP 207 207 50454 1 . HIS 208 208 50454 1 . GLY 209 209 50454 1 . SER 210 210 50454 1 . ARG 211 211 50454 1 . THR 212 212 50454 1 . THR 213 213 50454 1 . ASN 214 214 50454 1 . PHE 215 215 50454 1 . ALA 216 216 50454 1 . GLY 217 217 50454 1 . ILE 218 218 50454 1 . LEU 219 219 50454 1 . SER 220 220 50454 1 . GLN 221 221 50454 1 . GLY 222 222 50454 1 . LEU 223 223 50454 1 . ARG 224 224 50454 1 . ILE 225 225 50454 1 . ALA 226 226 50454 1 . PRO 227 227 50454 1 . PRO 228 228 50454 1 . GLU 229 229 50454 1 . ALA 230 230 50454 1 . PRO 231 231 50454 1 . VAL 232 232 50454 1 . THR 233 233 50454 1 . GLY 234 234 50454 1 . TYR 235 235 50454 1 . MET 236 236 50454 1 . PHE 237 237 50454 1 . GLY 238 238 50454 1 . LYS 239 239 50454 1 . GLY 240 240 50454 1 . ILE 241 241 50454 1 . TYR 242 242 50454 1 . PHE 243 243 50454 1 . ALA 244 244 50454 1 . ASP 245 245 50454 1 . MET 246 246 50454 1 . VAL 247 247 50454 1 . SER 248 248 50454 1 . LYS 249 249 50454 1 . SER 250 250 50454 1 . ALA 251 251 50454 1 . ASN 252 252 50454 1 . TYR 253 253 50454 1 . CYS 254 254 50454 1 . HIS 255 255 50454 1 . THR 256 256 50454 1 . SER 257 257 50454 1 . GLN 258 258 50454 1 . GLY 259 259 50454 1 . ASP 260 260 50454 1 . PRO 261 261 50454 1 . ILE 262 262 50454 1 . GLY 263 263 50454 1 . LEU 264 264 50454 1 . ILE 265 265 50454 1 . LEU 266 266 50454 1 . LEU 267 267 50454 1 . GLY 268 268 50454 1 . GLU 269 269 50454 1 . VAL 270 270 50454 1 . ALA 271 271 50454 1 . LEU 272 272 50454 1 . GLY 273 273 50454 1 . ASN 274 274 50454 1 . MET 275 275 50454 1 . TYR 276 276 50454 1 . GLU 277 277 50454 1 . LEU 278 278 50454 1 . LYS 279 279 50454 1 . HIS 280 280 50454 1 . ALA 281 281 50454 1 . SER 282 282 50454 1 . HIS 283 283 50454 1 . ILE 284 284 50454 1 . SER 285 285 50454 1 . LYS 286 286 50454 1 . LEU 287 287 50454 1 . PRO 288 288 50454 1 . LYS 289 289 50454 1 . GLY 290 290 50454 1 . LYS 291 291 50454 1 . HIS 292 292 50454 1 . SER 293 293 50454 1 . VAL 294 294 50454 1 . LYS 295 295 50454 1 . GLY 296 296 50454 1 . LEU 297 297 50454 1 . GLY 298 298 50454 1 . LYS 299 299 50454 1 . THR 300 300 50454 1 . THR 301 301 50454 1 . PRO 302 302 50454 1 . ASP 303 303 50454 1 . PRO 304 304 50454 1 . SER 305 305 50454 1 . ALA 306 306 50454 1 . ASN 307 307 50454 1 . ILE 308 308 50454 1 . SER 309 309 50454 1 . LEU 310 310 50454 1 . ASP 311 311 50454 1 . GLY 312 312 50454 1 . VAL 313 313 50454 1 . ASP 314 314 50454 1 . VAL 315 315 50454 1 . PRO 316 316 50454 1 . LEU 317 317 50454 1 . GLY 318 318 50454 1 . THR 319 319 50454 1 . GLY 320 320 50454 1 . ILE 321 321 50454 1 . SER 322 322 50454 1 . SER 323 323 50454 1 . GLY 324 324 50454 1 . VAL 325 325 50454 1 . ASN 326 326 50454 1 . ASP 327 327 50454 1 . THR 328 328 50454 1 . SER 329 329 50454 1 . LEU 330 330 50454 1 . LEU 331 331 50454 1 . TYR 332 332 50454 1 . ASN 333 333 50454 1 . GLU 334 334 50454 1 . TYR 335 335 50454 1 . ILE 336 336 50454 1 . VAL 337 337 50454 1 . TYR 338 338 50454 1 . ASP 339 339 50454 1 . ILE 340 340 50454 1 . ALA 341 341 50454 1 . GLN 342 342 50454 1 . VAL 343 343 50454 1 . ASN 344 344 50454 1 . LEU 345 345 50454 1 . LYS 346 346 50454 1 . TYR 347 347 50454 1 . LEU 348 348 50454 1 . LEU 349 349 50454 1 . LYS 350 350 50454 1 . LEU 351 351 50454 1 . LYS 352 352 50454 1 . PHE 353 353 50454 1 . ASN 354 354 50454 1 . PHE 355 355 50454 1 . LYS 356 356 50454 1 . THR 357 357 50454 1 . SER 358 358 50454 1 . LEU 359 359 50454 1 . TRP 360 360 50454 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 50454 _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 . . . . . . . . . . . . . 50454 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 50454 _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 . . . 50454 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50454 _Sample.ID 1 _Sample.Name 15N-13C-2H_labelled_CAT_domain _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human PARP-1 CAT domain' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.2 . . mM . . . . 50454 1 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50454 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50454 1 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50454 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50454 _Sample.ID 2 _Sample.Name 15N_Lys_labelled_CAT_domain _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human PARP-1 CAT domain' [U-15N]-Lys . . 1 $entity_1 . . 0.15 . . mM . . . . 50454 2 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50454 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50454 2 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50454 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50454 _Sample.ID 3 _Sample.Name 15N_Arg_labelled_CAT_domain _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human PARP-1 CAT domain' [U-15N]-Arg . . 1 $entity_1 . . 0.25 . . mM . . . . 50454 3 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50454 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50454 3 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50454 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 50454 _Sample.ID 4 _Sample.Name 15N_Leu_labelled_CAT_domain _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human PARP-1 CAT domain' [U-15N]-Leu . . 1 $entity_1 . . 0.4 . . mM . . . . 50454 4 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50454 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50454 4 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50454 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 50454 _Sample.ID 5 _Sample.Name 15N_Ile_labelled_CAT_domain _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human PARP-1 CAT domain' [U-15N]-Ile . . 1 $entity_1 . . 0.4 . . mM . . . . 50454 5 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50454 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50454 5 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50454 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 50454 _Sample.ID 6 _Sample.Name 15N_labelled_CAT_domain _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human PARP-1 CAT domain' [U-15N] . . 1 $entity_1 . . 0.4 . . mM . . . . 50454 6 2 TRIS [U-2H] . . . . . . 50 . . mM . . . . 50454 6 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50454 6 4 DTT [U-2H] . . . . . . 2 . . mM . . . . 50454 6 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 50454 _Sample_condition_list.ID 1 _Sample_condition_list.Name 30degC _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 50454 1 pH 7.0 . pH 50454 1 pressure 1 . atm 50454 1 temperature 303 . K 50454 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50454 _Sample_condition_list.ID 2 _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 50454 2 pH 7.0 . pH 50454 2 pressure 1 . atm 50454 2 temperature 298 . K 50454 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50454 _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 . 50454 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50454 _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 . 50454 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50454 _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 . 50454 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50454 _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' . 50454 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50454 _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' . 50454 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 50454 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Avance_600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50454 _NMR_spectrometer.ID 2 _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 50454 _NMR_spectrometer.ID 3 _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 50454 _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 . . . . . . . . . . . . . . . . . 50454 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50454 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50454 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50454 1 5 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50454 1 6 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50454 1 7 '2D 1H-15N TROSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50454 1 8 '2D 1H-15N TROSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50454 1 9 '2D 1H-15N TROSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50454 1 10 '3D 15N-separated NOESY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50454 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50454 1 12 '2D 1H-15N TROSY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50454 1 13 '2D 1H-15N TROSY-based steady-state 15N{1H} NOE measurement' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50454 1 14 '2D 1H-15N TROSY-based 15N T1 measurement' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50454 1 15 '2D 1H-15N TROSY-based 15N T1rho measurement' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50454 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 50454 _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 . . 50454 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 . . 50454 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 . . 50454 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 50454 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name WT_NHCACB_30 _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 0.2 _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' . . . 50454 1 2 '3D HNCA' . . . 50454 1 3 '3D HN(CO)CA' . . . 50454 1 4 '3D HNCACB' . . . 50454 1 5 '3D HN(CO)CACB' . . . 50454 1 6 '2D 1H-15N TROSY' . . . 50454 1 7 '2D 1H-15N TROSY' . . . 50454 1 8 '2D 1H-15N TROSY' . . . 50454 1 9 '2D 1H-15N TROSY' . . . 50454 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 . . 50454 1 5 $software_5 . . 50454 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 8.272 0.02 . 1 . . . . . 657 V HN . 50454 1 2 . 1 . 1 3 3 VAL CA C 13 61.631 0.2 . 1 . . . . . 657 V CA . 50454 1 3 . 1 . 1 3 3 VAL CB C 13 31.981 0.2 . 1 . . . . . 657 V CB . 50454 1 4 . 1 . 1 3 3 VAL N N 15 123.075 0.1 . 1 . . . . . 657 V N . 50454 1 5 . 1 . 1 4 4 ASN H H 1 8.622 0.02 . 1 . . . . . 658 N HN . 50454 1 6 . 1 . 1 4 4 ASN CA C 13 54.781 0.2 . 1 . . . . . 658 N CA . 50454 1 7 . 1 . 1 4 4 ASN N N 15 124.515 0.1 . 1 . . . . . 658 N N . 50454 1 8 . 1 . 1 5 5 PRO CB C 13 32.551 0.2 . 1 . . . . . 659 P CB . 50454 1 9 . 1 . 1 6 6 GLY H H 1 8.942 0.02 . 1 . . . . . 660 G HN . 50454 1 10 . 1 . 1 6 6 GLY CA C 13 45.071 0.2 . 1 . . . . . 660 G CA . 50454 1 11 . 1 . 1 6 6 GLY N N 15 110.615 0.1 . 1 . . . . . 660 G N . 50454 1 12 . 1 . 1 7 7 THR H H 1 7.962 0.02 . 1 . . . . . 661 T HN . 50454 1 13 . 1 . 1 7 7 THR CA C 13 61.751 0.2 . 1 . . . . . 661 T CA . 50454 1 14 . 1 . 1 7 7 THR CB C 13 69.711 0.2 . 1 . . . . . 661 T CB . 50454 1 15 . 1 . 1 7 7 THR N N 15 113.515 0.1 . 1 . . . . . 661 T N . 50454 1 16 . 1 . 1 8 8 LYS H H 1 8.452 0.02 . 1 . . . . . 662 K HN . 50454 1 17 . 1 . 1 8 8 LYS CA C 13 55.161 0.2 . 1 . . . . . 662 K CA . 50454 1 18 . 1 . 1 8 8 LYS CB C 13 33.141 0.2 . 1 . . . . . 662 K CB . 50454 1 19 . 1 . 1 8 8 LYS N N 15 122.215 0.1 . 1 . . . . . 662 K N . 50454 1 20 . 1 . 1 9 9 SER H H 1 8.542 0.02 . 1 . . . . . 663 S HN . 50454 1 21 . 1 . 1 9 9 SER CA C 13 57.871 0.2 . 1 . . . . . 663 S CA . 50454 1 22 . 1 . 1 9 9 SER CB C 13 63.011 0.2 . 1 . . . . . 663 S CB . 50454 1 23 . 1 . 1 9 9 SER N N 15 117.095 0.1 . 1 . . . . . 663 S N . 50454 1 24 . 1 . 1 10 10 LYS H H 1 9.542 0.02 . 1 . . . . . 664 K HN . 50454 1 25 . 1 . 1 10 10 LYS CA C 13 55.271 0.2 . 1 . . . . . 664 K CA . 50454 1 26 . 1 . 1 10 10 LYS CB C 13 31.421 0.2 . 1 . . . . . 664 K CB . 50454 1 27 . 1 . 1 10 10 LYS N N 15 128.035 0.1 . 1 . . . . . 664 K N . 50454 1 28 . 1 . 1 11 11 LEU H H 1 8.442 0.02 . 1 . . . . . 665 L HN . 50454 1 29 . 1 . 1 11 11 LEU CA C 13 54.201 0.2 . 1 . . . . . 665 L CA . 50454 1 30 . 1 . 1 11 11 LEU CB C 13 40.771 0.2 . 1 . . . . . 665 L CB . 50454 1 31 . 1 . 1 11 11 LEU N N 15 123.155 0.1 . 1 . . . . . 665 L N . 50454 1 32 . 1 . 1 13 13 LYS H H 1 9.402 0.02 . 1 . . . . . 667 K HN . 50454 1 33 . 1 . 1 13 13 LYS N N 15 127.065 0.1 . 1 . . . . . 667 K N . 50454 1 34 . 1 . 1 14 14 PRO CA C 13 65.871 0.2 . 1 . . . . . 668 P CA . 50454 1 35 . 1 . 1 14 14 PRO CB C 13 30.541 0.2 . 1 . . . . . 668 P CB . 50454 1 36 . 1 . 1 15 15 VAL H H 1 7.132 0.02 . 1 . . . . . 669 V HN . 50454 1 37 . 1 . 1 15 15 VAL CA C 13 65.281 0.2 . 1 . . . . . 669 V CA . 50454 1 38 . 1 . 1 15 15 VAL CB C 13 30.461 0.2 . 1 . . . . . 669 V CB . 50454 1 39 . 1 . 1 15 15 VAL N N 15 114.855 0.1 . 1 . . . . . 669 V N . 50454 1 40 . 1 . 1 16 16 GLN H H 1 8.022 0.02 . 1 . . . . . 670 Q HN . 50454 1 41 . 1 . 1 16 16 GLN CA C 13 59.991 0.2 . 1 . . . . . 670 Q CA . 50454 1 42 . 1 . 1 16 16 GLN CB C 13 27.241 0.2 . 1 . . . . . 670 Q CB . 50454 1 43 . 1 . 1 16 16 GLN N N 15 119.575 0.1 . 1 . . . . . 670 Q N . 50454 1 44 . 1 . 1 17 17 ASP H H 1 8.422 0.02 . 1 . . . . . 671 D HN . 50454 1 45 . 1 . 1 17 17 ASP CA C 13 56.871 0.2 . 1 . . . . . 671 D CA . 50454 1 46 . 1 . 1 17 17 ASP CB C 13 39.281 0.2 . 1 . . . . . 671 D CB . 50454 1 47 . 1 . 1 17 17 ASP N N 15 116.755 0.1 . 1 . . . . . 671 D N . 50454 1 48 . 1 . 1 18 18 LEU H H 1 7.452 0.02 . 1 . . . . . 672 L HN . 50454 1 49 . 1 . 1 18 18 LEU CA C 13 57.661 0.2 . 1 . . . . . 672 L CA . 50454 1 50 . 1 . 1 18 18 LEU CB C 13 40.481 0.2 . 1 . . . . . 672 L CB . 50454 1 51 . 1 . 1 18 18 LEU N N 15 122.825 0.1 . 1 . . . . . 672 L N . 50454 1 52 . 1 . 1 19 19 ILE H H 1 8.192 0.02 . 1 . . . . . 673 I HN . 50454 1 53 . 1 . 1 19 19 ILE CA C 13 62.481 0.2 . 1 . . . . . 673 I CA . 50454 1 54 . 1 . 1 19 19 ILE N N 15 119.205 0.1 . 1 . . . . . 673 I N . 50454 1 55 . 1 . 1 20 20 LYS H H 1 8.212 0.02 . 1 . . . . . 674 K HN . 50454 1 56 . 1 . 1 20 20 LYS CA C 13 59.351 0.2 . 1 . . . . . 674 K CA . 50454 1 57 . 1 . 1 20 20 LYS CB C 13 31.431 0.2 . 1 . . . . . 674 K CB . 50454 1 58 . 1 . 1 20 20 LYS N N 15 118.275 0.1 . 1 . . . . . 674 K N . 50454 1 59 . 1 . 1 21 21 MET H H 1 7.562 0.02 . 1 . . . . . 675 M HN . 50454 1 60 . 1 . 1 21 21 MET CA C 13 58.401 0.2 . 1 . . . . . 675 M CA . 50454 1 61 . 1 . 1 21 21 MET CB C 13 33.021 0.2 . 1 . . . . . 675 M CB . 50454 1 62 . 1 . 1 21 21 MET N N 15 116.185 0.1 . 1 . . . . . 675 M N . 50454 1 63 . 1 . 1 22 22 ILE H H 1 8.052 0.02 . 1 . . . . . 676 I HN . 50454 1 64 . 1 . 1 22 22 ILE CA C 13 63.851 0.2 . 1 . . . . . 676 I CA . 50454 1 65 . 1 . 1 22 22 ILE CB C 13 36.491 0.2 . 1 . . . . . 676 I CB . 50454 1 66 . 1 . 1 22 22 ILE N N 15 114.435 0.1 . 1 . . . . . 676 I N . 50454 1 67 . 1 . 1 23 23 PHE H H 1 7.462 0.02 . 1 . . . . . 677 F HN . 50454 1 68 . 1 . 1 23 23 PHE CA C 13 57.901 0.2 . 1 . . . . . 677 F CA . 50454 1 69 . 1 . 1 23 23 PHE CB C 13 37.271 0.2 . 1 . . . . . 677 F CB . 50454 1 70 . 1 . 1 23 23 PHE N N 15 117.635 0.1 . 1 . . . . . 677 F N . 50454 1 71 . 1 . 1 24 24 ASP H H 1 6.852 0.02 . 1 . . . . . 678 D HN . 50454 1 72 . 1 . 1 24 24 ASP CA C 13 54.511 0.2 . 1 . . . . . 678 D CA . 50454 1 73 . 1 . 1 24 24 ASP CB C 13 40.931 0.2 . 1 . . . . . 678 D CB . 50454 1 74 . 1 . 1 24 24 ASP N N 15 118.845 0.1 . 1 . . . . . 678 D N . 50454 1 75 . 1 . 1 25 25 VAL H H 1 8.672 0.02 . 1 . . . . . 679 V HN . 50454 1 76 . 1 . 1 25 25 VAL CA C 13 64.841 0.2 . 1 . . . . . 679 V CA . 50454 1 77 . 1 . 1 25 25 VAL CB C 13 31.241 0.2 . 1 . . . . . 679 V CB . 50454 1 78 . 1 . 1 25 25 VAL N N 15 129.265 0.1 . 1 . . . . . 679 V N . 50454 1 79 . 1 . 1 26 26 GLU H H 1 8.392 0.02 . 1 . . . . . 680 E HN . 50454 1 80 . 1 . 1 26 26 GLU CA C 13 58.811 0.2 . 1 . . . . . 680 E CA . 50454 1 81 . 1 . 1 26 26 GLU CB C 13 27.251 0.2 . 1 . . . . . 680 E CB . 50454 1 82 . 1 . 1 26 26 GLU N N 15 121.095 0.1 . 1 . . . . . 680 E N . 50454 1 83 . 1 . 1 27 27 SER H H 1 7.992 0.02 . 1 . . . . . 681 S HN . 50454 1 84 . 1 . 1 27 27 SER CA C 13 61.391 0.2 . 1 . . . . . 681 S CA . 50454 1 85 . 1 . 1 27 27 SER CB C 13 62.071 0.2 . 1 . . . . . 681 S CB . 50454 1 86 . 1 . 1 27 27 SER N N 15 116.725 0.1 . 1 . . . . . 681 S N . 50454 1 87 . 1 . 1 28 28 MET H H 1 7.522 0.02 . 1 . . . . . 682 M HN . 50454 1 88 . 1 . 1 28 28 MET CA C 13 59.931 0.2 . 1 . . . . . 682 M CA . 50454 1 89 . 1 . 1 28 28 MET CB C 13 32.191 0.2 . 1 . . . . . 682 M CB . 50454 1 90 . 1 . 1 28 28 MET N N 15 122.315 0.1 . 1 . . . . . 682 M N . 50454 1 91 . 1 . 1 29 29 LYS H H 1 7.942 0.02 . 1 . . . . . 683 K HN . 50454 1 92 . 1 . 1 29 29 LYS CA C 13 55.841 0.2 . 1 . . . . . 683 K CA . 50454 1 93 . 1 . 1 29 29 LYS CB C 13 28.401 0.2 . 1 . . . . . 683 K CB . 50454 1 94 . 1 . 1 29 29 LYS N N 15 117.965 0.1 . 1 . . . . . 683 K N . 50454 1 95 . 1 . 1 30 30 LYS H H 1 8.162 0.02 . 1 . . . . . 684 K HN . 50454 1 96 . 1 . 1 30 30 LYS CA C 13 59.351 0.2 . 1 . . . . . 684 K CA . 50454 1 97 . 1 . 1 30 30 LYS CB C 13 31.491 0.2 . 1 . . . . . 684 K CB . 50454 1 98 . 1 . 1 30 30 LYS N N 15 118.395 0.1 . 1 . . . . . 684 K N . 50454 1 99 . 1 . 1 31 31 ALA H H 1 7.642 0.02 . 1 . . . . . 685 A HN . 50454 1 100 . 1 . 1 31 31 ALA CA C 13 54.481 0.2 . 1 . . . . . 685 A CA . 50454 1 101 . 1 . 1 31 31 ALA CB C 13 16.901 0.2 . 1 . . . . . 685 A CB . 50454 1 102 . 1 . 1 31 31 ALA N N 15 120.925 0.1 . 1 . . . . . 685 A N . 50454 1 103 . 1 . 1 32 32 MET H H 1 7.442 0.02 . 1 . . . . . 686 M HN . 50454 1 104 . 1 . 1 32 32 MET CA C 13 59.691 0.2 . 1 . . . . . 686 M CA . 50454 1 105 . 1 . 1 32 32 MET CB C 13 32.331 0.2 . 1 . . . . . 686 M CB . 50454 1 106 . 1 . 1 32 32 MET N N 15 114.515 0.1 . 1 . . . . . 686 M N . 50454 1 107 . 1 . 1 33 33 VAL H H 1 8.322 0.02 . 1 . . . . . 687 V HN . 50454 1 108 . 1 . 1 33 33 VAL CA C 13 65.761 0.2 . 1 . . . . . 687 V CA . 50454 1 109 . 1 . 1 33 33 VAL CB C 13 30.721 0.2 . 1 . . . . . 687 V CB . 50454 1 110 . 1 . 1 33 33 VAL N N 15 119.975 0.1 . 1 . . . . . 687 V N . 50454 1 111 . 1 . 1 34 34 GLU H H 1 8.132 0.02 . 1 . . . . . 688 E HN . 50454 1 112 . 1 . 1 34 34 GLU CA C 13 58.931 0.2 . 1 . . . . . 688 E CA . 50454 1 113 . 1 . 1 34 34 GLU CB C 13 28.141 0.2 . 1 . . . . . 688 E CB . 50454 1 114 . 1 . 1 34 34 GLU N N 15 123.725 0.1 . 1 . . . . . 688 E N . 50454 1 115 . 1 . 1 35 35 TYR H H 1 7.422 0.02 . 1 . . . . . 689 Y HN . 50454 1 116 . 1 . 1 35 35 TYR CA C 13 58.111 0.2 . 1 . . . . . 689 Y CA . 50454 1 117 . 1 . 1 35 35 TYR CB C 13 37.791 0.2 . 1 . . . . . 689 Y CB . 50454 1 118 . 1 . 1 35 35 TYR N N 15 117.545 0.1 . 1 . . . . . 689 Y N . 50454 1 119 . 1 . 1 36 36 GLU H H 1 7.982 0.02 . 1 . . . . . 690 E HN . 50454 1 120 . 1 . 1 36 36 GLU CA C 13 57.191 0.2 . 1 . . . . . 690 E CA . 50454 1 121 . 1 . 1 36 36 GLU CB C 13 25.481 0.2 . 1 . . . . . 690 E CB . 50454 1 122 . 1 . 1 36 36 GLU N N 15 110.625 0.1 . 1 . . . . . 690 E N . 50454 1 123 . 1 . 1 37 37 ILE H H 1 7.462 0.02 . 1 . . . . . 691 I HN . 50454 1 124 . 1 . 1 37 37 ILE CA C 13 60.351 0.2 . 1 . . . . . 691 I CA . 50454 1 125 . 1 . 1 37 37 ILE CB C 13 36.141 0.2 . 1 . . . . . 691 I CB . 50454 1 126 . 1 . 1 37 37 ILE N N 15 118.595 0.1 . 1 . . . . . 691 I N . 50454 1 127 . 1 . 1 38 38 ASP H H 1 8.002 0.02 . 1 . . . . . 692 D HN . 50454 1 128 . 1 . 1 38 38 ASP CA C 13 51.931 0.2 . 1 . . . . . 692 D CA . 50454 1 129 . 1 . 1 38 38 ASP CB C 13 39.821 0.2 . 1 . . . . . 692 D CB . 50454 1 130 . 1 . 1 38 38 ASP N N 15 124.245 0.1 . 1 . . . . . 692 D N . 50454 1 131 . 1 . 1 39 39 LEU H H 1 8.152 0.02 . 1 . . . . . 693 L HN . 50454 1 132 . 1 . 1 39 39 LEU CA C 13 55.661 0.2 . 1 . . . . . 693 L CA . 50454 1 133 . 1 . 1 39 39 LEU CB C 13 40.991 0.2 . 1 . . . . . 693 L CB . 50454 1 134 . 1 . 1 39 39 LEU N N 15 127.475 0.1 . 1 . . . . . 693 L N . 50454 1 135 . 1 . 1 40 40 GLN H H 1 8.192 0.02 . 1 . . . . . 694 Q HN . 50454 1 136 . 1 . 1 40 40 GLN CA C 13 57.421 0.2 . 1 . . . . . 694 Q CA . 50454 1 137 . 1 . 1 40 40 GLN CB C 13 27.411 0.2 . 1 . . . . . 694 Q CB . 50454 1 138 . 1 . 1 40 40 GLN N N 15 116.375 0.1 . 1 . . . . . 694 Q N . 50454 1 139 . 1 . 1 41 41 LYS H H 1 7.102 0.02 . 1 . . . . . 695 K HN . 50454 1 140 . 1 . 1 41 41 LYS CA C 13 56.801 0.2 . 1 . . . . . 695 K CA . 50454 1 141 . 1 . 1 41 41 LYS CB C 13 33.641 0.2 . 1 . . . . . 695 K CB . 50454 1 142 . 1 . 1 41 41 LYS N N 15 117.725 0.1 . 1 . . . . . 695 K N . 50454 1 143 . 1 . 1 42 42 MET H H 1 8.422 0.02 . 1 . . . . . 696 M HN . 50454 1 144 . 1 . 1 42 42 MET CA C 13 52.031 0.2 . 1 . . . . . 696 M CA . 50454 1 145 . 1 . 1 42 42 MET CB C 13 32.411 0.2 . 1 . . . . . 696 M CB . 50454 1 146 . 1 . 1 42 42 MET N N 15 121.415 0.1 . 1 . . . . . 696 M N . 50454 1 147 . 1 . 1 43 43 PRO CA C 13 61.931 0.2 . 1 . . . . . 697 P CA . 50454 1 148 . 1 . 1 43 43 PRO CB C 13 31.471 0.2 . 1 . . . . . 697 P CB . 50454 1 149 . 1 . 1 44 44 LEU H H 1 8.262 0.02 . 1 . . . . . 698 L HN . 50454 1 150 . 1 . 1 44 44 LEU CA C 13 57.671 0.2 . 1 . . . . . 698 L CA . 50454 1 151 . 1 . 1 44 44 LEU CB C 13 40.291 0.2 . 1 . . . . . 698 L CB . 50454 1 152 . 1 . 1 44 44 LEU N N 15 120.705 0.1 . 1 . . . . . 698 L N . 50454 1 153 . 1 . 1 45 45 GLY CA C 13 45.491 0.2 . 1 . . . . . 699 G CA . 50454 1 154 . 1 . 1 46 46 LYS H H 1 7.912 0.02 . 1 . . . . . 700 K HN . 50454 1 155 . 1 . 1 46 46 LYS CA C 13 54.771 0.2 . 1 . . . . . 700 K CA . 50454 1 156 . 1 . 1 46 46 LYS CB C 13 32.311 0.2 . 1 . . . . . 700 K CB . 50454 1 157 . 1 . 1 46 46 LYS N N 15 118.915 0.1 . 1 . . . . . 700 K N . 50454 1 158 . 1 . 1 47 47 LEU H H 1 7.182 0.02 . 1 . . . . . 701 L HN . 50454 1 159 . 1 . 1 47 47 LEU CA C 13 55.541 0.2 . 1 . . . . . 701 L CA . 50454 1 160 . 1 . 1 47 47 LEU CB C 13 41.751 0.2 . 1 . . . . . 701 L CB . 50454 1 161 . 1 . 1 47 47 LEU N N 15 122.235 0.1 . 1 . . . . . 701 L N . 50454 1 162 . 1 . 1 48 48 SER H H 1 8.132 0.02 . 1 . . . . . 702 S HN . 50454 1 163 . 1 . 1 48 48 SER CA C 13 55.571 0.2 . 1 . . . . . 702 S CA . 50454 1 164 . 1 . 1 48 48 SER CB C 13 65.901 0.2 . 1 . . . . . 702 S CB . 50454 1 165 . 1 . 1 48 48 SER N N 15 118.645 0.1 . 1 . . . . . 702 S N . 50454 1 166 . 1 . 1 49 49 LYS H H 1 8.972 0.02 . 1 . . . . . 703 K HN . 50454 1 167 . 1 . 1 49 49 LYS CA C 13 60.041 0.2 . 1 . . . . . 703 K CA . 50454 1 168 . 1 . 1 49 49 LYS CB C 13 31.241 0.2 . 1 . . . . . 703 K CB . 50454 1 169 . 1 . 1 49 49 LYS N N 15 124.725 0.1 . 1 . . . . . 703 K N . 50454 1 170 . 1 . 1 50 50 ARG H H 1 8.322 0.02 . 1 . . . . . 704 R HN . 50454 1 171 . 1 . 1 50 50 ARG CA C 13 58.631 0.2 . 1 . . . . . 704 R CA . 50454 1 172 . 1 . 1 50 50 ARG CB C 13 28.701 0.2 . 1 . . . . . 704 R CB . 50454 1 173 . 1 . 1 50 50 ARG N N 15 117.775 0.1 . 1 . . . . . 704 R N . 50454 1 174 . 1 . 1 51 51 GLN H H 1 7.582 0.02 . 1 . . . . . 705 Q HN . 50454 1 175 . 1 . 1 51 51 GLN CA C 13 58.501 0.2 . 1 . . . . . 705 Q CA . 50454 1 176 . 1 . 1 51 51 GLN CB C 13 27.891 0.2 . 1 . . . . . 705 Q CB . 50454 1 177 . 1 . 1 51 51 GLN N N 15 120.845 0.1 . 1 . . . . . 705 Q N . 50454 1 178 . 1 . 1 52 52 ILE H H 1 7.662 0.02 . 1 . . . . . 706 I HN . 50454 1 179 . 1 . 1 52 52 ILE CA C 13 65.221 0.2 . 1 . . . . . 706 I CA . 50454 1 180 . 1 . 1 52 52 ILE CB C 13 37.401 0.2 . 1 . . . . . 706 I CB . 50454 1 181 . 1 . 1 52 52 ILE N N 15 119.545 0.1 . 1 . . . . . 706 I N . 50454 1 182 . 1 . 1 53 53 GLN H H 1 8.592 0.02 . 1 . . . . . 707 Q HN . 50454 1 183 . 1 . 1 53 53 GLN CA C 13 59.841 0.2 . 1 . . . . . 707 Q CA . 50454 1 184 . 1 . 1 53 53 GLN CB C 13 28.211 0.2 . 1 . . . . . 707 Q CB . 50454 1 185 . 1 . 1 53 53 GLN N N 15 118.215 0.1 . 1 . . . . . 707 Q N . 50454 1 186 . 1 . 1 54 54 ALA H H 1 7.972 0.02 . 1 . . . . . 708 A HN . 50454 1 187 . 1 . 1 54 54 ALA CA C 13 54.351 0.2 . 1 . . . . . 708 A CA . 50454 1 188 . 1 . 1 54 54 ALA CB C 13 17.261 0.2 . 1 . . . . . 708 A CB . 50454 1 189 . 1 . 1 54 54 ALA N N 15 120.935 0.1 . 1 . . . . . 708 A N . 50454 1 190 . 1 . 1 55 55 ALA H H 1 8.202 0.02 . 1 . . . . . 709 A HN . 50454 1 191 . 1 . 1 55 55 ALA CA C 13 55.061 0.2 . 1 . . . . . 709 A CA . 50454 1 192 . 1 . 1 55 55 ALA CB C 13 17.391 0.2 . 1 . . . . . 709 A CB . 50454 1 193 . 1 . 1 55 55 ALA N N 15 123.735 0.1 . 1 . . . . . 709 A N . 50454 1 194 . 1 . 1 56 56 TYR H H 1 8.692 0.02 . 1 . . . . . 710 Y HN . 50454 1 195 . 1 . 1 56 56 TYR CA C 13 61.851 0.2 . 1 . . . . . 710 Y CA . 50454 1 196 . 1 . 1 56 56 TYR CB C 13 37.381 0.2 . 1 . . . . . 710 Y CB . 50454 1 197 . 1 . 1 56 56 TYR N N 15 120.575 0.1 . 1 . . . . . 710 Y N . 50454 1 198 . 1 . 1 57 57 SER H H 1 7.942 0.02 . 1 . . . . . 711 S HN . 50454 1 199 . 1 . 1 57 57 SER CA C 13 62.151 0.2 . 1 . . . . . 711 S CA . 50454 1 200 . 1 . 1 57 57 SER N N 15 113.285 0.1 . 1 . . . . . 711 S N . 50454 1 201 . 1 . 1 58 58 ILE H H 1 7.872 0.02 . 1 . . . . . 712 I HN . 50454 1 202 . 1 . 1 58 58 ILE CA C 13 63.901 0.2 . 1 . . . . . 712 I CA . 50454 1 203 . 1 . 1 58 58 ILE CB C 13 35.991 0.2 . 1 . . . . . 712 I CB . 50454 1 204 . 1 . 1 58 58 ILE N N 15 122.345 0.1 . 1 . . . . . 712 I N . 50454 1 205 . 1 . 1 59 59 LEU H H 1 8.172 0.02 . 1 . . . . . 713 L HN . 50454 1 206 . 1 . 1 59 59 LEU CA C 13 57.411 0.2 . 1 . . . . . 713 L CA . 50454 1 207 . 1 . 1 59 59 LEU CB C 13 40.401 0.2 . 1 . . . . . 713 L CB . 50454 1 208 . 1 . 1 59 59 LEU N N 15 119.235 0.1 . 1 . . . . . 713 L N . 50454 1 209 . 1 . 1 60 60 SER H H 1 8.432 0.02 . 1 . . . . . 714 S HN . 50454 1 210 . 1 . 1 60 60 SER CA C 13 62.831 0.2 . 1 . . . . . 714 S CA . 50454 1 211 . 1 . 1 60 60 SER CB C 13 62.051 0.2 . 1 . . . . . 714 S CB . 50454 1 212 . 1 . 1 60 60 SER N N 15 116.235 0.1 . 1 . . . . . 714 S N . 50454 1 213 . 1 . 1 61 61 GLU H H 1 8.042 0.02 . 1 . . . . . 715 E HN . 50454 1 214 . 1 . 1 61 61 GLU CA C 13 59.871 0.2 . 1 . . . . . 715 E CA . 50454 1 215 . 1 . 1 61 61 GLU CB C 13 29.231 0.2 . 1 . . . . . 715 E CB . 50454 1 216 . 1 . 1 61 61 GLU N N 15 124.285 0.1 . 1 . . . . . 715 E N . 50454 1 217 . 1 . 1 62 62 VAL H H 1 8.932 0.02 . 1 . . . . . 716 V HN . 50454 1 218 . 1 . 1 62 62 VAL CA C 13 66.331 0.2 . 1 . . . . . 716 V CA . 50454 1 219 . 1 . 1 62 62 VAL CB C 13 30.341 0.2 . 1 . . . . . 716 V CB . 50454 1 220 . 1 . 1 62 62 VAL N N 15 122.995 0.1 . 1 . . . . . 716 V N . 50454 1 221 . 1 . 1 63 63 GLN H H 1 8.272 0.02 . 1 . . . . . 717 Q HN . 50454 1 222 . 1 . 1 63 63 GLN CA C 13 58.431 0.2 . 1 . . . . . 717 Q CA . 50454 1 223 . 1 . 1 63 63 GLN CB C 13 27.641 0.2 . 1 . . . . . 717 Q CB . 50454 1 224 . 1 . 1 63 63 GLN N N 15 119.075 0.1 . 1 . . . . . 717 Q N . 50454 1 225 . 1 . 1 64 64 GLN H H 1 7.702 0.02 . 1 . . . . . 718 Q HN . 50454 1 226 . 1 . 1 64 64 GLN CA C 13 58.331 0.2 . 1 . . . . . 718 Q CA . 50454 1 227 . 1 . 1 64 64 GLN CB C 13 27.681 0.2 . 1 . . . . . 718 Q CB . 50454 1 228 . 1 . 1 64 64 GLN N N 15 119.135 0.1 . 1 . . . . . 718 Q N . 50454 1 229 . 1 . 1 65 65 ALA H H 1 8.112 0.02 . 1 . . . . . 719 A HN . 50454 1 230 . 1 . 1 65 65 ALA CA C 13 54.591 0.2 . 1 . . . . . 719 A CA . 50454 1 231 . 1 . 1 65 65 ALA CB C 13 17.261 0.2 . 1 . . . . . 719 A CB . 50454 1 232 . 1 . 1 65 65 ALA N N 15 123.265 0.1 . 1 . . . . . 719 A N . 50454 1 233 . 1 . 1 66 66 VAL H H 1 8.782 0.02 . 1 . . . . . 720 V HN . 50454 1 234 . 1 . 1 66 66 VAL CA C 13 65.021 0.2 . 1 . . . . . 720 V CA . 50454 1 235 . 1 . 1 66 66 VAL CB C 13 30.861 0.2 . 1 . . . . . 720 V CB . 50454 1 236 . 1 . 1 66 66 VAL N N 15 118.265 0.1 . 1 . . . . . 720 V N . 50454 1 237 . 1 . 1 67 67 SER H H 1 8.032 0.02 . 1 . . . . . 721 S HN . 50454 1 238 . 1 . 1 67 67 SER CA C 13 60.941 0.2 . 1 . . . . . 721 S CA . 50454 1 239 . 1 . 1 67 67 SER CB C 13 62.701 0.2 . 1 . . . . . 721 S CB . 50454 1 240 . 1 . 1 67 67 SER N N 15 115.815 0.1 . 1 . . . . . 721 S N . 50454 1 241 . 1 . 1 68 68 GLN H H 1 7.932 0.02 . 1 . . . . . 722 Q HN . 50454 1 242 . 1 . 1 68 68 GLN CA C 13 55.711 0.2 . 1 . . . . . 722 Q CA . 50454 1 243 . 1 . 1 68 68 GLN CB C 13 28.381 0.2 . 1 . . . . . 722 Q CB . 50454 1 244 . 1 . 1 68 68 GLN N N 15 117.845 0.1 . 1 . . . . . 722 Q N . 50454 1 245 . 1 . 1 69 69 GLY H H 1 7.732 0.02 . 1 . . . . . 723 G HN . 50454 1 246 . 1 . 1 69 69 GLY CA C 13 45.741 0.2 . 1 . . . . . 723 G CA . 50454 1 247 . 1 . 1 69 69 GLY N N 15 108.885 0.1 . 1 . . . . . 723 G N . 50454 1 248 . 1 . 1 70 70 SER H H 1 8.252 0.02 . 1 . . . . . 724 S HN . 50454 1 249 . 1 . 1 70 70 SER CA C 13 58.471 0.2 . 1 . . . . . 724 S CA . 50454 1 250 . 1 . 1 70 70 SER CB C 13 63.201 0.2 . 1 . . . . . 724 S CB . 50454 1 251 . 1 . 1 70 70 SER N N 15 115.605 0.1 . 1 . . . . . 724 S N . 50454 1 252 . 1 . 1 71 71 SER H H 1 8.562 0.02 . 1 . . . . . 725 S HN . 50454 1 253 . 1 . 1 71 71 SER CA C 13 57.281 0.2 . 1 . . . . . 725 S CA . 50454 1 254 . 1 . 1 71 71 SER CB C 13 64.151 0.2 . 1 . . . . . 725 S CB . 50454 1 255 . 1 . 1 71 71 SER N N 15 116.845 0.1 . 1 . . . . . 725 S N . 50454 1 256 . 1 . 1 72 72 ASP H H 1 8.792 0.02 . 1 . . . . . 726 D HN . 50454 1 257 . 1 . 1 72 72 ASP CA C 13 57.221 0.2 . 1 . . . . . 726 D CA . 50454 1 258 . 1 . 1 72 72 ASP CB C 13 39.451 0.2 . 1 . . . . . 726 D CB . 50454 1 259 . 1 . 1 72 72 ASP N N 15 122.525 0.1 . 1 . . . . . 726 D N . 50454 1 260 . 1 . 1 73 73 SER H H 1 8.482 0.02 . 1 . . . . . 727 S HN . 50454 1 261 . 1 . 1 73 73 SER CA C 13 61.091 0.2 . 1 . . . . . 727 S CA . 50454 1 262 . 1 . 1 73 73 SER CB C 13 61.791 0.2 . 1 . . . . . 727 S CB . 50454 1 263 . 1 . 1 73 73 SER N N 15 115.235 0.1 . 1 . . . . . 727 S N . 50454 1 264 . 1 . 1 74 74 GLN H H 1 7.732 0.02 . 1 . . . . . 728 Q HN . 50454 1 265 . 1 . 1 74 74 GLN CA C 13 58.311 0.2 . 1 . . . . . 728 Q CA . 50454 1 266 . 1 . 1 74 74 GLN CB C 13 27.831 0.2 . 1 . . . . . 728 Q CB . 50454 1 267 . 1 . 1 74 74 GLN N N 15 123.235 0.1 . 1 . . . . . 728 Q N . 50454 1 268 . 1 . 1 75 75 ILE H H 1 7.912 0.02 . 1 . . . . . 729 I HN . 50454 1 269 . 1 . 1 75 75 ILE CA C 13 63.041 0.2 . 1 . . . . . 729 I CA . 50454 1 270 . 1 . 1 75 75 ILE CB C 13 35.791 0.2 . 1 . . . . . 729 I CB . 50454 1 271 . 1 . 1 75 75 ILE N N 15 119.535 0.1 . 1 . . . . . 729 I N . 50454 1 272 . 1 . 1 76 76 LEU H H 1 8.452 0.02 . 1 . . . . . 730 L HN . 50454 1 273 . 1 . 1 76 76 LEU CA C 13 58.381 0.2 . 1 . . . . . 730 L CA . 50454 1 274 . 1 . 1 76 76 LEU CB C 13 40.501 0.2 . 1 . . . . . 730 L CB . 50454 1 275 . 1 . 1 76 76 LEU N N 15 125.365 0.1 . 1 . . . . . 730 L N . 50454 1 276 . 1 . 1 77 77 ASP H H 1 7.762 0.02 . 1 . . . . . 731 D HN . 50454 1 277 . 1 . 1 77 77 ASP CA C 13 57.491 0.2 . 1 . . . . . 731 D CA . 50454 1 278 . 1 . 1 77 77 ASP CB C 13 40.771 0.2 . 1 . . . . . 731 D CB . 50454 1 279 . 1 . 1 77 77 ASP N N 15 118.855 0.1 . 1 . . . . . 731 D N . 50454 1 280 . 1 . 1 78 78 LEU H H 1 8.142 0.02 . 1 . . . . . 732 L HN . 50454 1 281 . 1 . 1 78 78 LEU CA C 13 57.981 0.2 . 1 . . . . . 732 L CA . 50454 1 282 . 1 . 1 78 78 LEU CB C 13 41.801 0.2 . 1 . . . . . 732 L CB . 50454 1 283 . 1 . 1 78 78 LEU N N 15 118.605 0.1 . 1 . . . . . 732 L N . 50454 1 284 . 1 . 1 79 79 SER H H 1 8.262 0.02 . 1 . . . . . 733 S HN . 50454 1 285 . 1 . 1 79 79 SER CA C 13 62.511 0.2 . 1 . . . . . 733 S CA . 50454 1 286 . 1 . 1 79 79 SER N N 15 114.765 0.1 . 1 . . . . . 733 S N . 50454 1 287 . 1 . 1 80 80 ASN H H 1 8.642 0.02 . 1 . . . . . 734 N HN . 50454 1 288 . 1 . 1 80 80 ASN CA C 13 55.751 0.2 . 1 . . . . . 734 N CA . 50454 1 289 . 1 . 1 80 80 ASN CB C 13 37.031 0.2 . 1 . . . . . 734 N CB . 50454 1 290 . 1 . 1 80 80 ASN N N 15 118.645 0.1 . 1 . . . . . 734 N N . 50454 1 291 . 1 . 1 81 81 ARG H H 1 8.412 0.02 . 1 . . . . . 735 R HN . 50454 1 292 . 1 . 1 81 81 ARG CA C 13 59.741 0.2 . 1 . . . . . 735 R CA . 50454 1 293 . 1 . 1 81 81 ARG CB C 13 29.341 0.2 . 1 . . . . . 735 R CB . 50454 1 294 . 1 . 1 81 81 ARG N N 15 121.645 0.1 . 1 . . . . . 735 R N . 50454 1 295 . 1 . 1 82 82 PHE H H 1 8.352 0.02 . 1 . . . . . 736 F HN . 50454 1 296 . 1 . 1 82 82 PHE CA C 13 63.091 0.2 . 1 . . . . . 736 F CA . 50454 1 297 . 1 . 1 82 82 PHE CB C 13 38.181 0.2 . 1 . . . . . 736 F CB . 50454 1 298 . 1 . 1 82 82 PHE N N 15 122.375 0.1 . 1 . . . . . 736 F N . 50454 1 299 . 1 . 1 83 83 TYR H H 1 8.162 0.02 . 1 . . . . . 737 Y HN . 50454 1 300 . 1 . 1 83 83 TYR CA C 13 58.511 0.2 . 1 . . . . . 737 Y CA . 50454 1 301 . 1 . 1 83 83 TYR CB C 13 36.551 0.2 . 1 . . . . . 737 Y CB . 50454 1 302 . 1 . 1 83 83 TYR N N 15 115.365 0.1 . 1 . . . . . 737 Y N . 50454 1 303 . 1 . 1 84 84 THR H H 1 7.812 0.02 . 1 . . . . . 738 T HN . 50454 1 304 . 1 . 1 84 84 THR CA C 13 65.281 0.2 . 1 . . . . . 738 T CA . 50454 1 305 . 1 . 1 84 84 THR CB C 13 68.511 0.2 . 1 . . . . . 738 T CB . 50454 1 306 . 1 . 1 84 84 THR N N 15 115.415 0.1 . 1 . . . . . 738 T N . 50454 1 307 . 1 . 1 85 85 LEU H H 1 7.252 0.02 . 1 . . . . . 739 L HN . 50454 1 308 . 1 . 1 85 85 LEU CA C 13 56.771 0.2 . 1 . . . . . 739 L CA . 50454 1 309 . 1 . 1 85 85 LEU CB C 13 42.111 0.2 . 1 . . . . . 739 L CB . 50454 1 310 . 1 . 1 85 85 LEU N N 15 122.605 0.1 . 1 . . . . . 739 L N . 50454 1 311 . 1 . 1 86 86 ILE H H 1 7.782 0.02 . 1 . . . . . 740 I HN . 50454 1 312 . 1 . 1 86 86 ILE CA C 13 55.041 0.2 . 1 . . . . . 740 I CA . 50454 1 313 . 1 . 1 86 86 ILE CB C 13 34.671 0.2 . 1 . . . . . 740 I CB . 50454 1 314 . 1 . 1 86 86 ILE N N 15 116.805 0.1 . 1 . . . . . 740 I N . 50454 1 315 . 1 . 1 87 87 PRO CA C 13 63.201 0.2 . 1 . . . . . 741 P CA . 50454 1 316 . 1 . 1 87 87 PRO CB C 13 31.491 0.2 . 1 . . . . . 741 P CB . 50454 1 317 . 1 . 1 88 88 HIS H H 1 8.992 0.02 . 1 . . . . . 742 H HN . 50454 1 318 . 1 . 1 88 88 HIS CA C 13 54.091 0.2 . 1 . . . . . 742 H CA . 50454 1 319 . 1 . 1 88 88 HIS CB C 13 32.351 0.2 . 1 . . . . . 742 H CB . 50454 1 320 . 1 . 1 88 88 HIS N N 15 123.095 0.1 . 1 . . . . . 742 H N . 50454 1 321 . 1 . 1 89 89 ASP H H 1 8.642 0.02 . 1 . . . . . 743 D HN . 50454 1 322 . 1 . 1 89 89 ASP CA C 13 51.981 0.2 . 1 . . . . . 743 D CA . 50454 1 323 . 1 . 1 89 89 ASP CB C 13 40.181 0.2 . 1 . . . . . 743 D CB . 50454 1 324 . 1 . 1 89 89 ASP N N 15 121.515 0.1 . 1 . . . . . 743 D N . 50454 1 325 . 1 . 1 90 90 PHE H H 1 8.462 0.02 . 1 . . . . . 744 F HN . 50454 1 326 . 1 . 1 90 90 PHE CA C 13 57.211 0.2 . 1 . . . . . 744 F CA . 50454 1 327 . 1 . 1 90 90 PHE CB C 13 38.541 0.2 . 1 . . . . . 744 F CB . 50454 1 328 . 1 . 1 90 90 PHE N N 15 122.705 0.1 . 1 . . . . . 744 F N . 50454 1 329 . 1 . 1 91 91 GLY H H 1 8.682 0.02 . 1 . . . . . 745 G HN . 50454 1 330 . 1 . 1 91 91 GLY CA C 13 46.951 0.2 . 1 . . . . . 745 G CA . 50454 1 331 . 1 . 1 91 91 GLY N N 15 110.985 0.1 . 1 . . . . . 745 G N . 50454 1 332 . 1 . 1 92 92 MET CA C 13 55.091 0.2 . 1 . . . . . 746 M CA . 50454 1 333 . 1 . 1 92 92 MET CB C 13 31.421 0.2 . 1 . . . . . 746 M CB . 50454 1 334 . 1 . 1 93 93 LYS H H 1 7.822 0.02 . 1 . . . . . 747 K HN . 50454 1 335 . 1 . 1 93 93 LYS CA C 13 55.571 0.2 . 1 . . . . . 747 K CA . 50454 1 336 . 1 . 1 93 93 LYS CB C 13 32.341 0.2 . 1 . . . . . 747 K CB . 50454 1 337 . 1 . 1 93 93 LYS N N 15 120.775 0.1 . 1 . . . . . 747 K N . 50454 1 338 . 1 . 1 94 94 LYS H H 1 8.132 0.02 . 1 . . . . . 748 K HN . 50454 1 339 . 1 . 1 94 94 LYS CA C 13 53.621 0.2 . 1 . . . . . 748 K CA . 50454 1 340 . 1 . 1 94 94 LYS CB C 13 30.811 0.2 . 1 . . . . . 748 K CB . 50454 1 341 . 1 . 1 94 94 LYS N N 15 122.025 0.1 . 1 . . . . . 748 K N . 50454 1 342 . 1 . 1 96 96 PRO CA C 13 61.931 0.2 . 1 . . . . . 750 P CA . 50454 1 343 . 1 . 1 96 96 PRO CB C 13 31.111 0.2 . 1 . . . . . 750 P CB . 50454 1 344 . 1 . 1 97 97 LEU H H 1 8.372 0.02 . 1 . . . . . 751 L HN . 50454 1 345 . 1 . 1 97 97 LEU CA C 13 54.311 0.2 . 1 . . . . . 751 L CA . 50454 1 346 . 1 . 1 97 97 LEU CB C 13 42.101 0.2 . 1 . . . . . 751 L CB . 50454 1 347 . 1 . 1 97 97 LEU N N 15 123.705 0.1 . 1 . . . . . 751 L N . 50454 1 348 . 1 . 1 98 98 LEU H H 1 7.892 0.02 . 1 . . . . . 752 L HN . 50454 1 349 . 1 . 1 98 98 LEU CA C 13 52.461 0.2 . 1 . . . . . 752 L CA . 50454 1 350 . 1 . 1 98 98 LEU CB C 13 38.351 0.2 . 1 . . . . . 752 L CB . 50454 1 351 . 1 . 1 98 98 LEU N N 15 122.995 0.1 . 1 . . . . . 752 L N . 50454 1 352 . 1 . 1 99 99 ASN H H 1 7.342 0.02 . 1 . . . . . 753 N HN . 50454 1 353 . 1 . 1 99 99 ASN CA C 13 51.201 0.2 . 1 . . . . . 753 N CA . 50454 1 354 . 1 . 1 99 99 ASN CB C 13 38.591 0.2 . 1 . . . . . 753 N CB . 50454 1 355 . 1 . 1 99 99 ASN N N 15 113.675 0.1 . 1 . . . . . 753 N N . 50454 1 356 . 1 . 1 100 100 ASN H H 1 7.462 0.02 . 1 . . . . . 754 N HN . 50454 1 357 . 1 . 1 100 100 ASN CA C 13 51.611 0.2 . 1 . . . . . 754 N CA . 50454 1 358 . 1 . 1 100 100 ASN CB C 13 39.971 0.2 . 1 . . . . . 754 N CB . 50454 1 359 . 1 . 1 100 100 ASN N N 15 112.575 0.1 . 1 . . . . . 754 N N . 50454 1 360 . 1 . 1 101 101 ALA H H 1 8.982 0.02 . 1 . . . . . 755 A HN . 50454 1 361 . 1 . 1 101 101 ALA CA C 13 54.791 0.2 . 1 . . . . . 755 A CA . 50454 1 362 . 1 . 1 101 101 ALA CB C 13 17.631 0.2 . 1 . . . . . 755 A CB . 50454 1 363 . 1 . 1 101 101 ALA N N 15 123.745 0.1 . 1 . . . . . 755 A N . 50454 1 364 . 1 . 1 102 102 ASP H H 1 8.372 0.02 . 1 . . . . . 756 D HN . 50454 1 365 . 1 . 1 102 102 ASP CA C 13 57.081 0.2 . 1 . . . . . 756 D CA . 50454 1 366 . 1 . 1 102 102 ASP CB C 13 39.431 0.2 . 1 . . . . . 756 D CB . 50454 1 367 . 1 . 1 102 102 ASP N N 15 118.265 0.1 . 1 . . . . . 756 D N . 50454 1 368 . 1 . 1 103 103 SER H H 1 8.262 0.02 . 1 . . . . . 757 S HN . 50454 1 369 . 1 . 1 103 103 SER CA C 13 61.571 0.2 . 1 . . . . . 757 S CA . 50454 1 370 . 1 . 1 103 103 SER CB C 13 62.381 0.2 . 1 . . . . . 757 S CB . 50454 1 371 . 1 . 1 103 103 SER N N 15 116.905 0.1 . 1 . . . . . 757 S N . 50454 1 372 . 1 . 1 104 104 VAL H H 1 7.372 0.02 . 1 . . . . . 758 V HN . 50454 1 373 . 1 . 1 104 104 VAL CA C 13 66.731 0.2 . 1 . . . . . 758 V CA . 50454 1 374 . 1 . 1 104 104 VAL CB C 13 30.421 0.2 . 1 . . . . . 758 V CB . 50454 1 375 . 1 . 1 104 104 VAL N N 15 122.055 0.1 . 1 . . . . . 758 V N . 50454 1 376 . 1 . 1 105 105 GLN H H 1 8.052 0.02 . 1 . . . . . 759 Q HN . 50454 1 377 . 1 . 1 105 105 GLN CA C 13 58.641 0.2 . 1 . . . . . 759 Q CA . 50454 1 378 . 1 . 1 105 105 GLN CB C 13 27.111 0.2 . 1 . . . . . 759 Q CB . 50454 1 379 . 1 . 1 105 105 GLN N N 15 118.315 0.1 . 1 . . . . . 759 Q N . 50454 1 380 . 1 . 1 106 106 ALA H H 1 8.092 0.02 . 1 . . . . . 760 A HN . 50454 1 381 . 1 . 1 106 106 ALA CA C 13 54.651 0.2 . 1 . . . . . 760 A CA . 50454 1 382 . 1 . 1 106 106 ALA CB C 13 17.531 0.2 . 1 . . . . . 760 A CB . 50454 1 383 . 1 . 1 106 106 ALA N N 15 120.715 0.1 . 1 . . . . . 760 A N . 50454 1 384 . 1 . 1 107 107 LYS H H 1 8.012 0.02 . 1 . . . . . 761 K HN . 50454 1 385 . 1 . 1 107 107 LYS CA C 13 56.051 0.2 . 1 . . . . . 761 K CA . 50454 1 386 . 1 . 1 107 107 LYS CB C 13 30.441 0.2 . 1 . . . . . 761 K CB . 50454 1 387 . 1 . 1 107 107 LYS N N 15 115.795 0.1 . 1 . . . . . 761 K N . 50454 1 388 . 1 . 1 108 108 ALA H H 1 8.542 0.02 . 1 . . . . . 762 A HN . 50454 1 389 . 1 . 1 108 108 ALA CA C 13 55.591 0.2 . 1 . . . . . 762 A CA . 50454 1 390 . 1 . 1 108 108 ALA CB C 13 15.781 0.2 . 1 . . . . . 762 A CB . 50454 1 391 . 1 . 1 108 108 ALA N N 15 124.835 0.1 . 1 . . . . . 762 A N . 50454 1 392 . 1 . 1 109 109 GLU H H 1 7.752 0.02 . 1 . . . . . 763 E HN . 50454 1 393 . 1 . 1 109 109 GLU CA C 13 58.981 0.2 . 1 . . . . . 763 E CA . 50454 1 394 . 1 . 1 109 109 GLU CB C 13 28.491 0.2 . 1 . . . . . 763 E CB . 50454 1 395 . 1 . 1 109 109 GLU N N 15 116.725 0.1 . 1 . . . . . 763 E N . 50454 1 396 . 1 . 1 110 110 MET H H 1 7.392 0.02 . 1 . . . . . 764 M HN . 50454 1 397 . 1 . 1 110 110 MET CA C 13 58.841 0.2 . 1 . . . . . 764 M CA . 50454 1 398 . 1 . 1 110 110 MET CB C 13 31.321 0.2 . 1 . . . . . 764 M CB . 50454 1 399 . 1 . 1 110 110 MET N N 15 118.655 0.1 . 1 . . . . . 764 M N . 50454 1 400 . 1 . 1 111 111 LEU H H 1 8.162 0.02 . 1 . . . . . 765 L HN . 50454 1 401 . 1 . 1 111 111 LEU CA C 13 57.981 0.2 . 1 . . . . . 765 L CA . 50454 1 402 . 1 . 1 111 111 LEU CB C 13 39.891 0.2 . 1 . . . . . 765 L CB . 50454 1 403 . 1 . 1 111 111 LEU N N 15 120.445 0.1 . 1 . . . . . 765 L N . 50454 1 404 . 1 . 1 112 112 ASP H H 1 8.642 0.02 . 1 . . . . . 766 D HN . 50454 1 405 . 1 . 1 112 112 ASP CA C 13 57.021 0.2 . 1 . . . . . 766 D CA . 50454 1 406 . 1 . 1 112 112 ASP CB C 13 39.651 0.2 . 1 . . . . . 766 D CB . 50454 1 407 . 1 . 1 112 112 ASP N N 15 119.445 0.1 . 1 . . . . . 766 D N . 50454 1 408 . 1 . 1 113 113 ASN H H 1 7.622 0.02 . 1 . . . . . 767 N HN . 50454 1 409 . 1 . 1 113 113 ASN CA C 13 55.551 0.2 . 1 . . . . . 767 N CA . 50454 1 410 . 1 . 1 113 113 ASN CB C 13 38.321 0.2 . 1 . . . . . 767 N CB . 50454 1 411 . 1 . 1 113 113 ASN N N 15 117.325 0.1 . 1 . . . . . 767 N N . 50454 1 412 . 1 . 1 114 114 LEU H H 1 8.822 0.02 . 1 . . . . . 768 L HN . 50454 1 413 . 1 . 1 114 114 LEU CA C 13 57.711 0.2 . 1 . . . . . 768 L CA . 50454 1 414 . 1 . 1 114 114 LEU CB C 13 40.111 0.2 . 1 . . . . . 768 L CB . 50454 1 415 . 1 . 1 114 114 LEU N N 15 120.955 0.1 . 1 . . . . . 768 L N . 50454 1 416 . 1 . 1 115 115 LEU H H 1 8.722 0.02 . 1 . . . . . 769 L HN . 50454 1 417 . 1 . 1 115 115 LEU CA C 13 58.271 0.2 . 1 . . . . . 769 L CA . 50454 1 418 . 1 . 1 115 115 LEU CB C 13 41.081 0.2 . 1 . . . . . 769 L CB . 50454 1 419 . 1 . 1 115 115 LEU N N 15 119.715 0.1 . 1 . . . . . 769 L N . 50454 1 420 . 1 . 1 116 116 ASP H H 1 7.142 0.02 . 1 . . . . . 770 D HN . 50454 1 421 . 1 . 1 116 116 ASP CA C 13 57.741 0.2 . 1 . . . . . 770 D CA . 50454 1 422 . 1 . 1 116 116 ASP CB C 13 40.021 0.2 . 1 . . . . . 770 D CB . 50454 1 423 . 1 . 1 116 116 ASP N N 15 118.465 0.1 . 1 . . . . . 770 D N . 50454 1 424 . 1 . 1 117 117 ILE H H 1 8.482 0.02 . 1 . . . . . 771 I HN . 50454 1 425 . 1 . 1 117 117 ILE CA C 13 65.971 0.2 . 1 . . . . . 771 I CA . 50454 1 426 . 1 . 1 117 117 ILE CB C 13 37.151 0.2 . 1 . . . . . 771 I CB . 50454 1 427 . 1 . 1 117 117 ILE N N 15 127.335 0.1 . 1 . . . . . 771 I N . 50454 1 428 . 1 . 1 118 118 GLU H H 1 8.682 0.02 . 1 . . . . . 772 E HN . 50454 1 429 . 1 . 1 118 118 GLU CA C 13 60.691 0.2 . 1 . . . . . 772 E CA . 50454 1 430 . 1 . 1 118 118 GLU CB C 13 27.011 0.2 . 1 . . . . . 772 E CB . 50454 1 431 . 1 . 1 118 118 GLU N N 15 121.165 0.1 . 1 . . . . . 772 E N . 50454 1 432 . 1 . 1 119 119 VAL H H 1 7.572 0.02 . 1 . . . . . 773 V HN . 50454 1 433 . 1 . 1 119 119 VAL CA C 13 65.951 0.2 . 1 . . . . . 773 V CA . 50454 1 434 . 1 . 1 119 119 VAL CB C 13 30.581 0.2 . 1 . . . . . 773 V CB . 50454 1 435 . 1 . 1 119 119 VAL N N 15 118.525 0.1 . 1 . . . . . 773 V N . 50454 1 436 . 1 . 1 120 120 ALA H H 1 7.972 0.02 . 1 . . . . . 774 A HN . 50454 1 437 . 1 . 1 120 120 ALA CA C 13 55.391 0.2 . 1 . . . . . 774 A CA . 50454 1 438 . 1 . 1 120 120 ALA CB C 13 18.171 0.2 . 1 . . . . . 774 A CB . 50454 1 439 . 1 . 1 121 121 TYR H H 1 9.202 0.02 . 1 . . . . . 775 Y HN . 50454 1 440 . 1 . 1 121 121 TYR CA C 13 62.381 0.2 . 1 . . . . . 775 Y CA . 50454 1 441 . 1 . 1 121 121 TYR CB C 13 37.401 0.2 . 1 . . . . . 775 Y CB . 50454 1 442 . 1 . 1 121 121 TYR N N 15 117.925 0.1 . 1 . . . . . 775 Y N . 50454 1 443 . 1 . 1 122 122 SER H H 1 8.742 0.02 . 1 . . . . . 776 S HN . 50454 1 444 . 1 . 1 122 122 SER CA C 13 61.551 0.2 . 1 . . . . . 776 S CA . 50454 1 445 . 1 . 1 122 122 SER CB C 13 62.271 0.2 . 1 . . . . . 776 S CB . 50454 1 446 . 1 . 1 122 122 SER N N 15 115.185 0.1 . 1 . . . . . 776 S N . 50454 1 447 . 1 . 1 123 123 LEU H H 1 8.132 0.02 . 1 . . . . . 777 L HN . 50454 1 448 . 1 . 1 123 123 LEU CA C 13 56.961 0.2 . 1 . . . . . 777 L CA . 50454 1 449 . 1 . 1 123 123 LEU CB C 13 41.361 0.2 . 1 . . . . . 777 L CB . 50454 1 450 . 1 . 1 123 123 LEU N N 15 122.795 0.1 . 1 . . . . . 777 L N . 50454 1 451 . 1 . 1 124 124 LEU H H 1 7.912 0.02 . 1 . . . . . 778 L HN . 50454 1 452 . 1 . 1 124 124 LEU CA C 13 56.771 0.2 . 1 . . . . . 778 L CA . 50454 1 453 . 1 . 1 124 124 LEU CB C 13 41.381 0.2 . 1 . . . . . 778 L CB . 50454 1 454 . 1 . 1 124 124 LEU N N 15 119.865 0.1 . 1 . . . . . 778 L N . 50454 1 455 . 1 . 1 125 125 ARG H H 1 7.772 0.02 . 1 . . . . . 779 R HN . 50454 1 456 . 1 . 1 125 125 ARG CA C 13 56.371 0.2 . 1 . . . . . 779 R CA . 50454 1 457 . 1 . 1 125 125 ARG CB C 13 29.031 0.2 . 1 . . . . . 779 R CB . 50454 1 458 . 1 . 1 125 125 ARG N N 15 117.065 0.1 . 1 . . . . . 779 R N . 50454 1 459 . 1 . 1 126 126 GLY H H 1 7.742 0.02 . 1 . . . . . 780 G HN . 50454 1 460 . 1 . 1 126 126 GLY CA C 13 45.151 0.2 . 1 . . . . . 780 G CA . 50454 1 461 . 1 . 1 126 126 GLY N N 15 108.065 0.1 . 1 . . . . . 780 G N . 50454 1 462 . 1 . 1 127 127 GLY H H 1 7.992 0.02 . 1 . . . . . 781 G HN . 50454 1 463 . 1 . 1 127 127 GLY CA C 13 44.791 0.2 . 1 . . . . . 781 G CA . 50454 1 464 . 1 . 1 127 127 GLY N N 15 107.855 0.1 . 1 . . . . . 781 G N . 50454 1 465 . 1 . 1 128 128 SER H H 1 8.262 0.02 . 1 . . . . . 782 S HN . 50454 1 466 . 1 . 1 128 128 SER CA C 13 57.351 0.2 . 1 . . . . . 782 S CA . 50454 1 467 . 1 . 1 128 128 SER CB C 13 63.501 0.2 . 1 . . . . . 782 S CB . 50454 1 468 . 1 . 1 128 128 SER N N 15 115.295 0.1 . 1 . . . . . 782 S N . 50454 1 469 . 1 . 1 129 129 ASP H H 1 8.442 0.02 . 1 . . . . . 783 D HN . 50454 1 470 . 1 . 1 129 129 ASP CA C 13 54.191 0.2 . 1 . . . . . 783 D CA . 50454 1 471 . 1 . 1 129 129 ASP CB C 13 40.661 0.2 . 1 . . . . . 783 D CB . 50454 1 472 . 1 . 1 129 129 ASP N N 15 122.955 0.1 . 1 . . . . . 783 D N . 50454 1 473 . 1 . 1 130 130 ASP H H 1 8.162 0.02 . 1 . . . . . 784 D HN . 50454 1 474 . 1 . 1 130 130 ASP CA C 13 53.261 0.2 . 1 . . . . . 784 D CA . 50454 1 475 . 1 . 1 130 130 ASP CB C 13 40.631 0.2 . 1 . . . . . 784 D CB . 50454 1 476 . 1 . 1 130 130 ASP N N 15 120.655 0.1 . 1 . . . . . 784 D N . 50454 1 477 . 1 . 1 131 131 SER H H 1 8.582 0.02 . 1 . . . . . 785 S HN . 50454 1 478 . 1 . 1 131 131 SER CA C 13 59.211 0.2 . 1 . . . . . 785 S CA . 50454 1 479 . 1 . 1 131 131 SER CB C 13 63.121 0.2 . 1 . . . . . 785 S CB . 50454 1 480 . 1 . 1 131 131 SER N N 15 119.495 0.1 . 1 . . . . . 785 S N . 50454 1 481 . 1 . 1 132 132 SER H H 1 8.672 0.02 . 1 . . . . . 786 S HN . 50454 1 482 . 1 . 1 132 132 SER CA C 13 58.961 0.2 . 1 . . . . . 786 S CA . 50454 1 483 . 1 . 1 132 132 SER CB C 13 63.351 0.2 . 1 . . . . . 786 S CB . 50454 1 484 . 1 . 1 132 132 SER N N 15 117.375 0.1 . 1 . . . . . 786 S N . 50454 1 485 . 1 . 1 133 133 LYS H H 1 7.442 0.02 . 1 . . . . . 787 K HN . 50454 1 486 . 1 . 1 133 133 LYS CA C 13 55.011 0.2 . 1 . . . . . 787 K CA . 50454 1 487 . 1 . 1 133 133 LYS CB C 13 33.881 0.2 . 1 . . . . . 787 K CB . 50454 1 488 . 1 . 1 133 133 LYS N N 15 122.205 0.1 . 1 . . . . . 787 K N . 50454 1 489 . 1 . 1 134 134 ASP H H 1 8.952 0.02 . 1 . . . . . 788 D HN . 50454 1 490 . 1 . 1 134 134 ASP CA C 13 52.241 0.2 . 1 . . . . . 788 D CA . 50454 1 491 . 1 . 1 134 134 ASP CB C 13 42.731 0.2 . 1 . . . . . 788 D CB . 50454 1 492 . 1 . 1 134 134 ASP N N 15 125.555 0.1 . 1 . . . . . 788 D N . 50454 1 493 . 1 . 1 135 135 PRO CA C 13 64.941 0.2 . 1 . . . . . 789 P CA . 50454 1 494 . 1 . 1 135 135 PRO CB C 13 31.771 0.2 . 1 . . . . . 789 P CB . 50454 1 495 . 1 . 1 136 136 ILE H H 1 8.922 0.02 . 1 . . . . . 790 I HN . 50454 1 496 . 1 . 1 136 136 ILE CA C 13 63.701 0.2 . 1 . . . . . 790 I CA . 50454 1 497 . 1 . 1 136 136 ILE CB C 13 36.271 0.2 . 1 . . . . . 790 I CB . 50454 1 498 . 1 . 1 136 136 ILE N N 15 117.935 0.1 . 1 . . . . . 790 I N . 50454 1 499 . 1 . 1 137 137 ASP H H 1 7.342 0.02 . 1 . . . . . 791 D HN . 50454 1 500 . 1 . 1 137 137 ASP CA C 13 57.161 0.2 . 1 . . . . . 791 D CA . 50454 1 501 . 1 . 1 137 137 ASP CB C 13 39.201 0.2 . 1 . . . . . 791 D CB . 50454 1 502 . 1 . 1 137 137 ASP N N 15 121.055 0.1 . 1 . . . . . 791 D N . 50454 1 503 . 1 . 1 138 138 VAL H H 1 7.802 0.02 . 1 . . . . . 792 V HN . 50454 1 504 . 1 . 1 138 138 VAL CA C 13 65.681 0.2 . 1 . . . . . 792 V CA . 50454 1 505 . 1 . 1 138 138 VAL CB C 13 31.111 0.2 . 1 . . . . . 792 V CB . 50454 1 506 . 1 . 1 138 138 VAL N N 15 120.955 0.1 . 1 . . . . . 792 V N . 50454 1 507 . 1 . 1 139 139 ASN H H 1 7.962 0.02 . 1 . . . . . 793 N HN . 50454 1 508 . 1 . 1 139 139 ASN CA C 13 55.351 0.2 . 1 . . . . . 793 N CA . 50454 1 509 . 1 . 1 139 139 ASN CB C 13 35.861 0.2 . 1 . . . . . 793 N CB . 50454 1 510 . 1 . 1 139 139 ASN N N 15 118.655 0.1 . 1 . . . . . 793 N N . 50454 1 511 . 1 . 1 140 140 TYR H H 1 8.502 0.02 . 1 . . . . . 794 Y HN . 50454 1 512 . 1 . 1 140 140 TYR CA C 13 61.241 0.2 . 1 . . . . . 794 Y CA . 50454 1 513 . 1 . 1 140 140 TYR CB C 13 38.231 0.2 . 1 . . . . . 794 Y CB . 50454 1 514 . 1 . 1 140 140 TYR N N 15 119.095 0.1 . 1 . . . . . 794 Y N . 50454 1 515 . 1 . 1 141 141 GLU H H 1 8.292 0.02 . 1 . . . . . 795 E HN . 50454 1 516 . 1 . 1 141 141 GLU CA C 13 59.081 0.2 . 1 . . . . . 795 E CA . 50454 1 517 . 1 . 1 141 141 GLU CB C 13 28.501 0.2 . 1 . . . . . 795 E CB . 50454 1 518 . 1 . 1 141 141 GLU N N 15 120.765 0.1 . 1 . . . . . 795 E N . 50454 1 519 . 1 . 1 142 142 LYS H H 1 7.562 0.02 . 1 . . . . . 796 K HN . 50454 1 520 . 1 . 1 142 142 LYS CA C 13 58.001 0.2 . 1 . . . . . 796 K CA . 50454 1 521 . 1 . 1 142 142 LYS CB C 13 32.271 0.2 . 1 . . . . . 796 K CB . 50454 1 522 . 1 . 1 142 142 LYS N N 15 117.095 0.1 . 1 . . . . . 796 K N . 50454 1 523 . 1 . 1 143 143 LEU H H 1 7.412 0.02 . 1 . . . . . 797 L HN . 50454 1 524 . 1 . 1 143 143 LEU CA C 13 55.241 0.2 . 1 . . . . . 797 L CA . 50454 1 525 . 1 . 1 143 143 LEU CB C 13 40.811 0.2 . 1 . . . . . 797 L CB . 50454 1 526 . 1 . 1 143 143 LEU N N 15 113.595 0.1 . 1 . . . . . 797 L N . 50454 1 527 . 1 . 1 144 144 LYS H H 1 7.502 0.02 . 1 . . . . . 798 K HN . 50454 1 528 . 1 . 1 144 144 LYS CA C 13 56.591 0.2 . 1 . . . . . 798 K CA . 50454 1 529 . 1 . 1 144 144 LYS CB C 13 29.131 0.2 . 1 . . . . . 798 K CB . 50454 1 530 . 1 . 1 144 144 LYS N N 15 114.295 0.1 . 1 . . . . . 798 K N . 50454 1 531 . 1 . 1 145 145 THR H H 1 8.342 0.02 . 1 . . . . . 799 T HN . 50454 1 532 . 1 . 1 145 145 THR CA C 13 61.841 0.2 . 1 . . . . . 799 T CA . 50454 1 533 . 1 . 1 145 145 THR CB C 13 72.411 0.2 . 1 . . . . . 799 T CB . 50454 1 534 . 1 . 1 145 145 THR N N 15 114.325 0.1 . 1 . . . . . 799 T N . 50454 1 535 . 1 . 1 146 146 ASP H H 1 8.282 0.02 . 1 . . . . . 800 D HN . 50454 1 536 . 1 . 1 146 146 ASP CA C 13 53.961 0.2 . 1 . . . . . 800 D CA . 50454 1 537 . 1 . 1 146 146 ASP CB C 13 42.271 0.2 . 1 . . . . . 800 D CB . 50454 1 538 . 1 . 1 146 146 ASP N N 15 127.875 0.1 . 1 . . . . . 800 D N . 50454 1 539 . 1 . 1 147 147 ILE H H 1 8.062 0.02 . 1 . . . . . 801 I HN . 50454 1 540 . 1 . 1 147 147 ILE CA C 13 61.251 0.2 . 1 . . . . . 801 I CA . 50454 1 541 . 1 . 1 147 147 ILE CB C 13 38.361 0.2 . 1 . . . . . 801 I CB . 50454 1 542 . 1 . 1 147 147 ILE N N 15 125.905 0.1 . 1 . . . . . 801 I N . 50454 1 543 . 1 . 1 148 148 LYS H H 1 8.782 0.02 . 1 . . . . . 802 K HN . 50454 1 544 . 1 . 1 148 148 LYS CA C 13 53.501 0.2 . 1 . . . . . 802 K CA . 50454 1 545 . 1 . 1 148 148 LYS CB C 13 35.531 0.2 . 1 . . . . . 802 K CB . 50454 1 546 . 1 . 1 148 148 LYS N N 15 125.795 0.1 . 1 . . . . . 802 K N . 50454 1 547 . 1 . 1 149 149 VAL H H 1 9.152 0.02 . 1 . . . . . 803 V HN . 50454 1 548 . 1 . 1 149 149 VAL CA C 13 62.871 0.2 . 1 . . . . . 803 V CA . 50454 1 549 . 1 . 1 149 149 VAL CB C 13 31.551 0.2 . 1 . . . . . 803 V CB . 50454 1 550 . 1 . 1 149 149 VAL N N 15 123.435 0.1 . 1 . . . . . 803 V N . 50454 1 551 . 1 . 1 150 150 VAL H H 1 8.642 0.02 . 1 . . . . . 804 V HN . 50454 1 552 . 1 . 1 150 150 VAL CA C 13 61.751 0.2 . 1 . . . . . 804 V CA . 50454 1 553 . 1 . 1 150 150 VAL CB C 13 31.101 0.2 . 1 . . . . . 804 V CB . 50454 1 554 . 1 . 1 150 150 VAL N N 15 130.935 0.1 . 1 . . . . . 804 V N . 50454 1 555 . 1 . 1 151 151 ASP H H 1 8.762 0.02 . 1 . . . . . 805 D HN . 50454 1 556 . 1 . 1 151 151 ASP CA C 13 54.651 0.2 . 1 . . . . . 805 D CA . 50454 1 557 . 1 . 1 151 151 ASP CB C 13 41.431 0.2 . 1 . . . . . 805 D CB . 50454 1 558 . 1 . 1 151 151 ASP N N 15 128.085 0.1 . 1 . . . . . 805 D N . 50454 1 559 . 1 . 1 152 152 ARG H H 1 8.762 0.02 . 1 . . . . . 806 R HN . 50454 1 560 . 1 . 1 152 152 ARG CA C 13 58.711 0.2 . 1 . . . . . 806 R CA . 50454 1 561 . 1 . 1 152 152 ARG CB C 13 29.191 0.2 . 1 . . . . . 806 R CB . 50454 1 562 . 1 . 1 152 152 ARG N N 15 126.745 0.1 . 1 . . . . . 806 R N . 50454 1 563 . 1 . 1 153 153 ASP H H 1 8.482 0.02 . 1 . . . . . 807 D HN . 50454 1 564 . 1 . 1 153 153 ASP CA C 13 53.371 0.2 . 1 . . . . . 807 D CA . 50454 1 565 . 1 . 1 153 153 ASP CB C 13 40.031 0.2 . 1 . . . . . 807 D CB . 50454 1 566 . 1 . 1 153 153 ASP N N 15 117.415 0.1 . 1 . . . . . 807 D N . 50454 1 567 . 1 . 1 154 154 SER H H 1 7.632 0.02 . 1 . . . . . 808 S HN . 50454 1 568 . 1 . 1 154 154 SER CB C 13 65.771 0.2 . 1 . . . . . 808 S CB . 50454 1 569 . 1 . 1 154 154 SER N N 15 115.215 0.1 . 1 . . . . . 808 S N . 50454 1 570 . 1 . 1 155 155 GLU H H 1 8.972 0.02 . 1 . . . . . 809 E HN . 50454 1 571 . 1 . 1 155 155 GLU CA C 13 57.801 0.2 . 1 . . . . . 809 E CA . 50454 1 572 . 1 . 1 155 155 GLU CB C 13 28.631 0.2 . 1 . . . . . 809 E CB . 50454 1 573 . 1 . 1 155 155 GLU N N 15 123.615 0.1 . 1 . . . . . 809 E N . 50454 1 574 . 1 . 1 156 156 GLU H H 1 8.622 0.02 . 1 . . . . . 810 E HN . 50454 1 575 . 1 . 1 156 156 GLU CA C 13 59.281 0.2 . 1 . . . . . 810 E CA . 50454 1 576 . 1 . 1 156 156 GLU CB C 13 28.921 0.2 . 1 . . . . . 810 E CB . 50454 1 577 . 1 . 1 156 156 GLU N N 15 117.785 0.1 . 1 . . . . . 810 E N . 50454 1 578 . 1 . 1 157 157 ALA H H 1 7.392 0.02 . 1 . . . . . 811 A HN . 50454 1 579 . 1 . 1 157 157 ALA CA C 13 54.651 0.2 . 1 . . . . . 811 A CA . 50454 1 580 . 1 . 1 157 157 ALA CB C 13 18.001 0.2 . 1 . . . . . 811 A CB . 50454 1 581 . 1 . 1 157 157 ALA N N 15 119.475 0.1 . 1 . . . . . 811 A N . 50454 1 582 . 1 . 1 158 158 GLU H H 1 7.752 0.02 . 1 . . . . . 812 E HN . 50454 1 583 . 1 . 1 158 158 GLU CA C 13 59.021 0.2 . 1 . . . . . 812 E CA . 50454 1 584 . 1 . 1 158 158 GLU CB C 13 28.241 0.2 . 1 . . . . . 812 E CB . 50454 1 585 . 1 . 1 158 158 GLU N N 15 118.215 0.1 . 1 . . . . . 812 E N . 50454 1 586 . 1 . 1 159 159 ILE H H 1 8.002 0.02 . 1 . . . . . 813 I HN . 50454 1 587 . 1 . 1 159 159 ILE CA C 13 64.741 0.2 . 1 . . . . . 813 I CA . 50454 1 588 . 1 . 1 159 159 ILE CB C 13 37.181 0.2 . 1 . . . . . 813 I CB . 50454 1 589 . 1 . 1 159 159 ILE N N 15 120.235 0.1 . 1 . . . . . 813 I N . 50454 1 590 . 1 . 1 160 160 ILE H H 1 7.702 0.02 . 1 . . . . . 814 I HN . 50454 1 591 . 1 . 1 160 160 ILE CA C 13 65.411 0.2 . 1 . . . . . 814 I CA . 50454 1 592 . 1 . 1 160 160 ILE CB C 13 36.731 0.2 . 1 . . . . . 814 I CB . 50454 1 593 . 1 . 1 160 160 ILE N N 15 119.775 0.1 . 1 . . . . . 814 I N . 50454 1 594 . 1 . 1 161 161 ARG H H 1 8.812 0.02 . 1 . . . . . 815 R HN . 50454 1 595 . 1 . 1 161 161 ARG CA C 13 60.991 0.2 . 1 . . . . . 815 R CA . 50454 1 596 . 1 . 1 161 161 ARG CB C 13 29.971 0.2 . 1 . . . . . 815 R CB . 50454 1 597 . 1 . 1 161 161 ARG N N 15 118.095 0.1 . 1 . . . . . 815 R N . 50454 1 598 . 1 . 1 162 162 LYS H H 1 8.162 0.02 . 1 . . . . . 816 K HN . 50454 1 599 . 1 . 1 162 162 LYS CA C 13 59.621 0.2 . 1 . . . . . 816 K CA . 50454 1 600 . 1 . 1 162 162 LYS CB C 13 31.461 0.2 . 1 . . . . . 816 K CB . 50454 1 601 . 1 . 1 162 162 LYS N N 15 121.645 0.1 . 1 . . . . . 816 K N . 50454 1 602 . 1 . 1 163 163 TYR H H 1 8.422 0.02 . 1 . . . . . 817 Y HN . 50454 1 603 . 1 . 1 163 163 TYR CA C 13 56.971 0.2 . 1 . . . . . 817 Y CA . 50454 1 604 . 1 . 1 163 163 TYR CB C 13 37.361 0.2 . 1 . . . . . 817 Y CB . 50454 1 605 . 1 . 1 163 163 TYR N N 15 122.265 0.1 . 1 . . . . . 817 Y N . 50454 1 606 . 1 . 1 164 164 VAL H H 1 8.392 0.02 . 1 . . . . . 818 V HN . 50454 1 607 . 1 . 1 164 164 VAL CA C 13 65.841 0.2 . 1 . . . . . 818 V CA . 50454 1 608 . 1 . 1 164 164 VAL CB C 13 31.081 0.2 . 1 . . . . . 818 V CB . 50454 1 609 . 1 . 1 164 164 VAL N N 15 119.425 0.1 . 1 . . . . . 818 V N . 50454 1 610 . 1 . 1 165 165 LYS H H 1 8.132 0.02 . 1 . . . . . 819 K HN . 50454 1 611 . 1 . 1 165 165 LYS CA C 13 58.531 0.2 . 1 . . . . . 819 K CA . 50454 1 612 . 1 . 1 165 165 LYS CB C 13 31.961 0.2 . 1 . . . . . 819 K CB . 50454 1 613 . 1 . 1 165 165 LYS N N 15 117.225 0.1 . 1 . . . . . 819 K N . 50454 1 614 . 1 . 1 166 166 ASN H H 1 9.212 0.02 . 1 . . . . . 820 N HN . 50454 1 615 . 1 . 1 166 166 ASN CA C 13 54.411 0.2 . 1 . . . . . 820 N CA . 50454 1 616 . 1 . 1 166 166 ASN CB C 13 37.461 0.2 . 1 . . . . . 820 N CB . 50454 1 617 . 1 . 1 166 166 ASN N N 15 115.425 0.1 . 1 . . . . . 820 N N . 50454 1 618 . 1 . 1 167 167 THR H H 1 7.442 0.02 . 1 . . . . . 821 T HN . 50454 1 619 . 1 . 1 167 167 THR CA C 13 61.521 0.2 . 1 . . . . . 821 T CA . 50454 1 620 . 1 . 1 167 167 THR CB C 13 69.491 0.2 . 1 . . . . . 821 T CB . 50454 1 621 . 1 . 1 167 167 THR N N 15 105.725 0.1 . 1 . . . . . 821 T N . 50454 1 622 . 1 . 1 168 168 HIS H H 1 7.122 0.02 . 1 . . . . . 822 H HN . 50454 1 623 . 1 . 1 168 168 HIS CA C 13 55.311 0.2 . 1 . . . . . 822 H CA . 50454 1 624 . 1 . 1 168 168 HIS CB C 13 30.291 0.2 . 1 . . . . . 822 H CB . 50454 1 625 . 1 . 1 168 168 HIS N N 15 120.155 0.1 . 1 . . . . . 822 H N . 50454 1 626 . 1 . 1 174 174 ALA H H 1 8.462 0.02 . 1 . . . . . 828 A HN . 50454 1 627 . 1 . 1 174 174 ALA CA C 13 52.451 0.2 . 1 . . . . . 828 A CA . 50454 1 628 . 1 . 1 174 174 ALA CB C 13 18.471 0.2 . 1 . . . . . 828 A CB . 50454 1 629 . 1 . 1 174 174 ALA N N 15 122.395 0.1 . 1 . . . . . 828 A N . 50454 1 630 . 1 . 1 175 175 TYR H H 1 6.932 0.02 . 1 . . . . . 829 Y HN . 50454 1 631 . 1 . 1 175 175 TYR CA C 13 54.601 0.2 . 1 . . . . . 829 Y CA . 50454 1 632 . 1 . 1 175 175 TYR CB C 13 38.711 0.2 . 1 . . . . . 829 Y CB . 50454 1 633 . 1 . 1 175 175 TYR N N 15 111.575 0.1 . 1 . . . . . 829 Y N . 50454 1 634 . 1 . 1 176 176 ASP H H 1 8.282 0.02 . 1 . . . . . 830 D HN . 50454 1 635 . 1 . 1 176 176 ASP CA C 13 52.261 0.2 . 1 . . . . . 830 D CA . 50454 1 636 . 1 . 1 176 176 ASP CB C 13 43.371 0.2 . 1 . . . . . 830 D CB . 50454 1 637 . 1 . 1 176 176 ASP N N 15 119.385 0.1 . 1 . . . . . 830 D N . 50454 1 638 . 1 . 1 177 177 LEU H H 1 8.642 0.02 . 1 . . . . . 831 L HN . 50454 1 639 . 1 . 1 177 177 LEU CA C 13 53.141 0.2 . 1 . . . . . 831 L CA . 50454 1 640 . 1 . 1 177 177 LEU CB C 13 44.601 0.2 . 1 . . . . . 831 L CB . 50454 1 641 . 1 . 1 177 177 LEU N N 15 120.765 0.1 . 1 . . . . . 831 L N . 50454 1 642 . 1 . 1 178 178 GLU H H 1 8.612 0.02 . 1 . . . . . 832 E HN . 50454 1 643 . 1 . 1 178 178 GLU CA C 13 53.751 0.2 . 1 . . . . . 832 E CA . 50454 1 644 . 1 . 1 178 178 GLU CB C 13 32.421 0.2 . 1 . . . . . 832 E CB . 50454 1 645 . 1 . 1 178 178 GLU N N 15 122.065 0.1 . 1 . . . . . 832 E N . 50454 1 646 . 1 . 1 179 179 VAL H H 1 9.112 0.02 . 1 . . . . . 833 V HN . 50454 1 647 . 1 . 1 179 179 VAL CA C 13 63.081 0.2 . 1 . . . . . 833 V CA . 50454 1 648 . 1 . 1 179 179 VAL CB C 13 30.491 0.2 . 1 . . . . . 833 V CB . 50454 1 649 . 1 . 1 179 179 VAL N N 15 125.665 0.1 . 1 . . . . . 833 V N . 50454 1 650 . 1 . 1 180 180 ILE H H 1 8.972 0.02 . 1 . . . . . 834 I HN . 50454 1 651 . 1 . 1 180 180 ILE CA C 13 62.221 0.2 . 1 . . . . . 834 I CA . 50454 1 652 . 1 . 1 180 180 ILE CB C 13 36.921 0.2 . 1 . . . . . 834 I CB . 50454 1 653 . 1 . 1 180 180 ILE N N 15 129.355 0.1 . 1 . . . . . 834 I N . 50454 1 654 . 1 . 1 181 181 ASP H H 1 7.252 0.02 . 1 . . . . . 835 D HN . 50454 1 655 . 1 . 1 181 181 ASP CA C 13 53.571 0.2 . 1 . . . . . 835 D CA . 50454 1 656 . 1 . 1 181 181 ASP CB C 13 47.681 0.2 . 1 . . . . . 835 D CB . 50454 1 657 . 1 . 1 181 181 ASP N N 15 114.345 0.1 . 1 . . . . . 835 D N . 50454 1 658 . 1 . 1 182 182 ILE H H 1 8.602 0.02 . 1 . . . . . 836 I HN . 50454 1 659 . 1 . 1 182 182 ILE CA C 13 60.541 0.2 . 1 . . . . . 836 I CA . 50454 1 660 . 1 . 1 182 182 ILE CB C 13 39.871 0.2 . 1 . . . . . 836 I CB . 50454 1 661 . 1 . 1 182 182 ILE N N 15 119.375 0.1 . 1 . . . . . 836 I N . 50454 1 662 . 1 . 1 183 183 PHE H H 1 9.402 0.02 . 1 . . . . . 837 F HN . 50454 1 663 . 1 . 1 183 183 PHE CA C 13 55.021 0.2 . 1 . . . . . 837 F CA . 50454 1 664 . 1 . 1 183 183 PHE CB C 13 39.731 0.2 . 1 . . . . . 837 F CB . 50454 1 665 . 1 . 1 183 183 PHE N N 15 123.685 0.1 . 1 . . . . . 837 F N . 50454 1 666 . 1 . 1 184 184 LYS H H 1 9.642 0.02 . 1 . . . . . 838 K HN . 50454 1 667 . 1 . 1 184 184 LYS CA C 13 55.141 0.2 . 1 . . . . . 838 K CA . 50454 1 668 . 1 . 1 184 184 LYS CB C 13 33.361 0.2 . 1 . . . . . 838 K CB . 50454 1 669 . 1 . 1 184 184 LYS N N 15 126.415 0.1 . 1 . . . . . 838 K N . 50454 1 670 . 1 . 1 185 185 ILE H H 1 7.832 0.02 . 1 . . . . . 839 I HN . 50454 1 671 . 1 . 1 185 185 ILE CA C 13 57.821 0.2 . 1 . . . . . 839 I CA . 50454 1 672 . 1 . 1 185 185 ILE CB C 13 40.621 0.2 . 1 . . . . . 839 I CB . 50454 1 673 . 1 . 1 185 185 ILE N N 15 120.095 0.1 . 1 . . . . . 839 I N . 50454 1 674 . 1 . 1 186 186 GLU H H 1 8.122 0.02 . 1 . . . . . 840 E HN . 50454 1 675 . 1 . 1 186 186 GLU CA C 13 54.721 0.2 . 1 . . . . . 840 E CA . 50454 1 676 . 1 . 1 186 186 GLU CB C 13 30.961 0.2 . 1 . . . . . 840 E CB . 50454 1 677 . 1 . 1 186 186 GLU N N 15 119.965 0.1 . 1 . . . . . 840 E N . 50454 1 678 . 1 . 1 187 187 ARG H H 1 9.662 0.02 . 1 . . . . . 841 R HN . 50454 1 679 . 1 . 1 187 187 ARG CA C 13 56.891 0.2 . 1 . . . . . 841 R CA . 50454 1 680 . 1 . 1 187 187 ARG CB C 13 29.851 0.2 . 1 . . . . . 841 R CB . 50454 1 681 . 1 . 1 187 187 ARG N N 15 131.115 0.1 . 1 . . . . . 841 R N . 50454 1 682 . 1 . 1 188 188 GLU H H 1 8.832 0.02 . 1 . . . . . 842 E HN . 50454 1 683 . 1 . 1 188 188 GLU CA C 13 58.421 0.2 . 1 . . . . . 842 E CA . 50454 1 684 . 1 . 1 188 188 GLU CB C 13 28.691 0.2 . 1 . . . . . 842 E CB . 50454 1 685 . 1 . 1 188 188 GLU N N 15 127.935 0.1 . 1 . . . . . 842 E N . 50454 1 686 . 1 . 1 189 189 GLY H H 1 9.112 0.02 . 1 . . . . . 843 G HN . 50454 1 687 . 1 . 1 189 189 GLY CA C 13 45.711 0.2 . 1 . . . . . 843 G CA . 50454 1 688 . 1 . 1 189 189 GLY N N 15 114.605 0.1 . 1 . . . . . 843 G N . 50454 1 689 . 1 . 1 190 190 GLU H H 1 7.782 0.02 . 1 . . . . . 844 E HN . 50454 1 690 . 1 . 1 190 190 GLU CA C 13 60.131 0.2 . 1 . . . . . 844 E CA . 50454 1 691 . 1 . 1 190 190 GLU CB C 13 31.461 0.2 . 1 . . . . . 844 E CB . 50454 1 692 . 1 . 1 190 190 GLU N N 15 124.565 0.1 . 1 . . . . . 844 E N . 50454 1 693 . 1 . 1 191 191 CYS H H 1 9.102 0.02 . 1 . . . . . 845 C HN . 50454 1 694 . 1 . 1 191 191 CYS CA C 13 62.591 0.2 . 1 . . . . . 845 C CA . 50454 1 695 . 1 . 1 191 191 CYS CB C 13 25.631 0.2 . 1 . . . . . 845 C CB . 50454 1 696 . 1 . 1 191 191 CYS N N 15 118.085 0.1 . 1 . . . . . 845 C N . 50454 1 697 . 1 . 1 192 192 GLN H H 1 8.402 0.02 . 1 . . . . . 846 Q HN . 50454 1 698 . 1 . 1 192 192 GLN CA C 13 58.601 0.2 . 1 . . . . . 846 Q CA . 50454 1 699 . 1 . 1 192 192 GLN CB C 13 27.061 0.2 . 1 . . . . . 846 Q CB . 50454 1 700 . 1 . 1 192 192 GLN N N 15 119.565 0.1 . 1 . . . . . 846 Q N . 50454 1 701 . 1 . 1 193 193 ARG H H 1 7.552 0.02 . 1 . . . . . 847 R HN . 50454 1 702 . 1 . 1 193 193 ARG CA C 13 58.071 0.2 . 1 . . . . . 847 R CA . 50454 1 703 . 1 . 1 193 193 ARG CB C 13 29.761 0.2 . 1 . . . . . 847 R CB . 50454 1 704 . 1 . 1 193 193 ARG N N 15 120.295 0.1 . 1 . . . . . 847 R N . 50454 1 705 . 1 . 1 194 194 TYR H H 1 8.142 0.02 . 1 . . . . . 848 Y HN . 50454 1 706 . 1 . 1 194 194 TYR CA C 13 57.751 0.2 . 1 . . . . . 848 Y CA . 50454 1 707 . 1 . 1 194 194 TYR CB C 13 39.211 0.2 . 1 . . . . . 848 Y CB . 50454 1 708 . 1 . 1 194 194 TYR N N 15 118.115 0.1 . 1 . . . . . 848 Y N . 50454 1 709 . 1 . 1 195 195 LYS H H 1 7.222 0.02 . 1 . . . . . 849 K HN . 50454 1 710 . 1 . 1 195 195 LYS CA C 13 61.091 0.2 . 1 . . . . . 849 K CA . 50454 1 711 . 1 . 1 195 195 LYS CB C 13 29.861 0.2 . 1 . . . . . 849 K CB . 50454 1 712 . 1 . 1 195 195 LYS N N 15 117.925 0.1 . 1 . . . . . 849 K N . 50454 1 713 . 1 . 1 196 196 PRO CB C 13 29.911 0.2 . 1 . . . . . 850 P CB . 50454 1 714 . 1 . 1 197 197 PHE H H 1 8.142 0.02 . 1 . . . . . 851 F HN . 50454 1 715 . 1 . 1 197 197 PHE CA C 13 59.671 0.2 . 1 . . . . . 851 F CA . 50454 1 716 . 1 . 1 197 197 PHE CB C 13 37.791 0.2 . 1 . . . . . 851 F CB . 50454 1 717 . 1 . 1 197 197 PHE N N 15 115.745 0.1 . 1 . . . . . 851 F N . 50454 1 718 . 1 . 1 198 198 LYS H H 1 7.342 0.02 . 1 . . . . . 852 K HN . 50454 1 719 . 1 . 1 198 198 LYS CA C 13 57.671 0.2 . 1 . . . . . 852 K CA . 50454 1 720 . 1 . 1 198 198 LYS CB C 13 31.321 0.2 . 1 . . . . . 852 K CB . 50454 1 721 . 1 . 1 198 198 LYS N N 15 119.905 0.1 . 1 . . . . . 852 K N . 50454 1 722 . 1 . 1 199 199 GLN H H 1 6.972 0.02 . 1 . . . . . 853 Q HN . 50454 1 723 . 1 . 1 199 199 GLN CA C 13 54.371 0.2 . 1 . . . . . 853 Q CA . 50454 1 724 . 1 . 1 199 199 GLN CB C 13 28.301 0.2 . 1 . . . . . 853 Q CB . 50454 1 725 . 1 . 1 199 199 GLN N N 15 110.725 0.1 . 1 . . . . . 853 Q N . 50454 1 726 . 1 . 1 200 200 LEU H H 1 7.562 0.02 . 1 . . . . . 854 L HN . 50454 1 727 . 1 . 1 200 200 LEU CA C 13 54.951 0.2 . 1 . . . . . 854 L CA . 50454 1 728 . 1 . 1 200 200 LEU CB C 13 41.661 0.2 . 1 . . . . . 854 L CB . 50454 1 729 . 1 . 1 200 200 LEU N N 15 123.955 0.1 . 1 . . . . . 854 L N . 50454 1 730 . 1 . 1 201 201 HIS H H 1 7.772 0.02 . 1 . . . . . 855 H HN . 50454 1 731 . 1 . 1 201 201 HIS CA C 13 54.931 0.2 . 1 . . . . . 855 H CA . 50454 1 732 . 1 . 1 201 201 HIS CB C 13 30.281 0.2 . 1 . . . . . 855 H CB . 50454 1 733 . 1 . 1 201 201 HIS N N 15 118.575 0.1 . 1 . . . . . 855 H N . 50454 1 734 . 1 . 1 202 202 ASN H H 1 8.632 0.02 . 1 . . . . . 856 N HN . 50454 1 735 . 1 . 1 202 202 ASN CA C 13 53.211 0.2 . 1 . . . . . 856 N CA . 50454 1 736 . 1 . 1 202 202 ASN CB C 13 36.291 0.2 . 1 . . . . . 856 N CB . 50454 1 737 . 1 . 1 202 202 ASN N N 15 112.725 0.1 . 1 . . . . . 856 N N . 50454 1 738 . 1 . 1 203 203 ARG H H 1 8.012 0.02 . 1 . . . . . 857 R HN . 50454 1 739 . 1 . 1 203 203 ARG CA C 13 54.901 0.2 . 1 . . . . . 857 R CA . 50454 1 740 . 1 . 1 203 203 ARG CB C 13 29.671 0.2 . 1 . . . . . 857 R CB . 50454 1 741 . 1 . 1 203 203 ARG N N 15 118.745 0.1 . 1 . . . . . 857 R N . 50454 1 742 . 1 . 1 204 204 ARG H H 1 8.432 0.02 . 1 . . . . . 858 R HN . 50454 1 743 . 1 . 1 204 204 ARG CA C 13 53.671 0.2 . 1 . . . . . 858 R CA . 50454 1 744 . 1 . 1 204 204 ARG CB C 13 34.521 0.2 . 1 . . . . . 858 R CB . 50454 1 745 . 1 . 1 204 204 ARG N N 15 121.855 0.1 . 1 . . . . . 858 R N . 50454 1 746 . 1 . 1 205 205 LEU H H 1 8.102 0.02 . 1 . . . . . 859 L HN . 50454 1 747 . 1 . 1 205 205 LEU CA C 13 53.051 0.2 . 1 . . . . . 859 L CA . 50454 1 748 . 1 . 1 205 205 LEU CB C 13 41.911 0.2 . 1 . . . . . 859 L CB . 50454 1 749 . 1 . 1 205 205 LEU N N 15 125.005 0.1 . 1 . . . . . 859 L N . 50454 1 750 . 1 . 1 206 206 LEU H H 1 8.782 0.02 . 1 . . . . . 860 L HN . 50454 1 751 . 1 . 1 206 206 LEU CA C 13 53.061 0.2 . 1 . . . . . 860 L CA . 50454 1 752 . 1 . 1 206 206 LEU CB C 13 45.761 0.2 . 1 . . . . . 860 L CB . 50454 1 753 . 1 . 1 206 206 LEU N N 15 125.955 0.1 . 1 . . . . . 860 L N . 50454 1 754 . 1 . 1 207 207 TRP H H 1 8.622 0.02 . 1 . . . . . 861 W HN . 50454 1 755 . 1 . 1 207 207 TRP CA C 13 55.901 0.2 . 1 . . . . . 861 W CA . 50454 1 756 . 1 . 1 207 207 TRP CB C 13 32.251 0.2 . 1 . . . . . 861 W CB . 50454 1 757 . 1 . 1 207 207 TRP N N 15 119.395 0.1 . 1 . . . . . 861 W N . 50454 1 758 . 1 . 1 208 208 HIS H H 1 9.012 0.02 . 1 . . . . . 862 H HN . 50454 1 759 . 1 . 1 208 208 HIS CA C 13 56.801 0.2 . 1 . . . . . 862 H CA . 50454 1 760 . 1 . 1 208 208 HIS CB C 13 31.071 0.2 . 1 . . . . . 862 H CB . 50454 1 761 . 1 . 1 208 208 HIS N N 15 117.825 0.1 . 1 . . . . . 862 H N . 50454 1 762 . 1 . 1 209 209 GLY H H 1 8.232 0.02 . 1 . . . . . 863 G HN . 50454 1 763 . 1 . 1 209 209 GLY CA C 13 43.571 0.2 . 1 . . . . . 863 G CA . 50454 1 764 . 1 . 1 209 209 GLY N N 15 114.975 0.1 . 1 . . . . . 863 G N . 50454 1 765 . 1 . 1 210 210 SER H H 1 7.362 0.02 . 1 . . . . . 864 S HN . 50454 1 766 . 1 . 1 210 210 SER CA C 13 57.731 0.2 . 1 . . . . . 864 S CA . 50454 1 767 . 1 . 1 210 210 SER CB C 13 64.061 0.2 . 1 . . . . . 864 S CB . 50454 1 768 . 1 . 1 210 210 SER N N 15 111.225 0.1 . 1 . . . . . 864 S N . 50454 1 769 . 1 . 1 211 211 ARG H H 1 7.972 0.02 . 1 . . . . . 865 R HN . 50454 1 770 . 1 . 1 211 211 ARG CA C 13 56.741 0.2 . 1 . . . . . 865 R CA . 50454 1 771 . 1 . 1 211 211 ARG CB C 13 30.261 0.2 . 1 . . . . . 865 R CB . 50454 1 772 . 1 . 1 211 211 ARG N N 15 121.385 0.1 . 1 . . . . . 865 R N . 50454 1 773 . 1 . 1 212 212 THR H H 1 9.352 0.02 . 1 . . . . . 866 T HN . 50454 1 774 . 1 . 1 212 212 THR CA C 13 66.801 0.2 . 1 . . . . . 866 T CA . 50454 1 775 . 1 . 1 212 212 THR CB C 13 67.991 0.2 . 1 . . . . . 866 T CB . 50454 1 776 . 1 . 1 212 212 THR N N 15 118.685 0.1 . 1 . . . . . 866 T N . 50454 1 777 . 1 . 1 213 213 THR H H 1 7.392 0.02 . 1 . . . . . 867 T HN . 50454 1 778 . 1 . 1 213 213 THR CA C 13 62.771 0.2 . 1 . . . . . 867 T CA . 50454 1 779 . 1 . 1 213 213 THR CB C 13 68.031 0.2 . 1 . . . . . 867 T CB . 50454 1 780 . 1 . 1 213 213 THR N N 15 106.865 0.1 . 1 . . . . . 867 T N . 50454 1 781 . 1 . 1 214 214 ASN H H 1 7.902 0.02 . 1 . . . . . 868 N HN . 50454 1 782 . 1 . 1 214 214 ASN CA C 13 53.931 0.2 . 1 . . . . . 868 N CA . 50454 1 783 . 1 . 1 214 214 ASN CB C 13 38.341 0.2 . 1 . . . . . 868 N CB . 50454 1 784 . 1 . 1 214 214 ASN N N 15 118.105 0.1 . 1 . . . . . 868 N N . 50454 1 785 . 1 . 1 215 215 PHE H H 1 7.772 0.02 . 1 . . . . . 869 F HN . 50454 1 786 . 1 . 1 215 215 PHE CA C 13 63.791 0.2 . 1 . . . . . 869 F CA . 50454 1 787 . 1 . 1 215 215 PHE CB C 13 38.991 0.2 . 1 . . . . . 869 F CB . 50454 1 788 . 1 . 1 215 215 PHE N N 15 117.795 0.1 . 1 . . . . . 869 F N . 50454 1 789 . 1 . 1 216 216 ALA H H 1 9.472 0.02 . 1 . . . . . 870 A HN . 50454 1 790 . 1 . 1 216 216 ALA CA C 13 55.241 0.2 . 1 . . . . . 870 A CA . 50454 1 791 . 1 . 1 216 216 ALA CB C 13 15.681 0.2 . 1 . . . . . 870 A CB . 50454 1 792 . 1 . 1 216 216 ALA N N 15 125.435 0.1 . 1 . . . . . 870 A N . 50454 1 793 . 1 . 1 217 217 GLY H H 1 8.892 0.02 . 1 . . . . . 871 G HN . 50454 1 794 . 1 . 1 217 217 GLY CA C 13 46.301 0.2 . 1 . . . . . 871 G CA . 50454 1 795 . 1 . 1 217 217 GLY N N 15 109.305 0.1 . 1 . . . . . 871 G N . 50454 1 796 . 1 . 1 218 218 ILE H H 1 8.192 0.02 . 1 . . . . . 872 I HN . 50454 1 797 . 1 . 1 218 218 ILE CA C 13 64.731 0.2 . 1 . . . . . 872 I CA . 50454 1 798 . 1 . 1 218 218 ILE CB C 13 37.201 0.2 . 1 . . . . . 872 I CB . 50454 1 799 . 1 . 1 218 218 ILE N N 15 121.785 0.1 . 1 . . . . . 872 I N . 50454 1 800 . 1 . 1 219 219 LEU H H 1 8.612 0.02 . 1 . . . . . 873 L HN . 50454 1 801 . 1 . 1 219 219 LEU CA C 13 57.671 0.2 . 1 . . . . . 873 L CA . 50454 1 802 . 1 . 1 219 219 LEU CB C 13 39.411 0.2 . 1 . . . . . 873 L CB . 50454 1 803 . 1 . 1 219 219 LEU N N 15 116.195 0.1 . 1 . . . . . 873 L N . 50454 1 804 . 1 . 1 220 220 SER H H 1 7.952 0.02 . 1 . . . . . 874 S HN . 50454 1 805 . 1 . 1 220 220 SER CA C 13 61.291 0.2 . 1 . . . . . 874 S CA . 50454 1 806 . 1 . 1 220 220 SER CB C 13 63.291 0.2 . 1 . . . . . 874 S CB . 50454 1 807 . 1 . 1 220 220 SER N N 15 112.205 0.1 . 1 . . . . . 874 S N . 50454 1 808 . 1 . 1 221 221 GLN H H 1 8.442 0.02 . 1 . . . . . 875 Q HN . 50454 1 809 . 1 . 1 221 221 GLN CA C 13 55.341 0.2 . 1 . . . . . 875 Q CA . 50454 1 810 . 1 . 1 221 221 GLN CB C 13 29.031 0.2 . 1 . . . . . 875 Q CB . 50454 1 811 . 1 . 1 221 221 GLN N N 15 117.325 0.1 . 1 . . . . . 875 Q N . 50454 1 812 . 1 . 1 222 222 GLY H H 1 7.842 0.02 . 1 . . . . . 876 G HN . 50454 1 813 . 1 . 1 222 222 GLY CA C 13 44.081 0.2 . 1 . . . . . 876 G CA . 50454 1 814 . 1 . 1 222 222 GLY N N 15 113.775 0.1 . 1 . . . . . 876 G N . 50454 1 815 . 1 . 1 223 223 LEU H H 1 8.662 0.02 . 1 . . . . . 877 L HN . 50454 1 816 . 1 . 1 223 223 LEU CA C 13 54.931 0.2 . 1 . . . . . 877 L CA . 50454 1 817 . 1 . 1 223 223 LEU CB C 13 39.681 0.2 . 1 . . . . . 877 L CB . 50454 1 818 . 1 . 1 223 223 LEU N N 15 117.365 0.1 . 1 . . . . . 877 L N . 50454 1 819 . 1 . 1 224 224 ARG H H 1 8.652 0.02 . 1 . . . . . 878 R HN . 50454 1 820 . 1 . 1 224 224 ARG CA C 13 54.601 0.2 . 1 . . . . . 878 R CA . 50454 1 821 . 1 . 1 224 224 ARG CB C 13 32.971 0.2 . 1 . . . . . 878 R CB . 50454 1 822 . 1 . 1 224 224 ARG N N 15 124.485 0.1 . 1 . . . . . 878 R N . 50454 1 823 . 1 . 1 225 225 ILE H H 1 7.582 0.02 . 1 . . . . . 879 I HN . 50454 1 824 . 1 . 1 225 225 ILE CA C 13 59.911 0.2 . 1 . . . . . 879 I CA . 50454 1 825 . 1 . 1 225 225 ILE CB C 13 38.141 0.2 . 1 . . . . . 879 I CB . 50454 1 826 . 1 . 1 225 225 ILE N N 15 119.155 0.1 . 1 . . . . . 879 I N . 50454 1 827 . 1 . 1 226 226 ALA H H 1 8.282 0.02 . 1 . . . . . 880 A HN . 50454 1 828 . 1 . 1 226 226 ALA CA C 13 50.781 0.2 . 1 . . . . . 880 A CA . 50454 1 829 . 1 . 1 226 226 ALA CB C 13 16.151 0.2 . 1 . . . . . 880 A CB . 50454 1 830 . 1 . 1 226 226 ALA N N 15 130.555 0.1 . 1 . . . . . 880 A N . 50454 1 831 . 1 . 1 228 228 PRO CA C 13 65.221 0.2 . 1 . . . . . 882 P CA . 50454 1 832 . 1 . 1 228 228 PRO CB C 13 31.131 0.2 . 1 . . . . . 882 P CB . 50454 1 833 . 1 . 1 229 229 GLU H H 1 9.332 0.02 . 1 . . . . . 883 E HN . 50454 1 834 . 1 . 1 229 229 GLU CA C 13 58.501 0.2 . 1 . . . . . 883 E CA . 50454 1 835 . 1 . 1 229 229 GLU CB C 13 28.861 0.2 . 1 . . . . . 883 E CB . 50454 1 836 . 1 . 1 229 229 GLU N N 15 113.685 0.1 . 1 . . . . . 883 E N . 50454 1 837 . 1 . 1 230 230 ALA H H 1 7.412 0.02 . 1 . . . . . 884 A HN . 50454 1 838 . 1 . 1 230 230 ALA CA C 13 49.661 0.2 . 1 . . . . . 884 A CA . 50454 1 839 . 1 . 1 230 230 ALA CB C 13 17.851 0.2 . 1 . . . . . 884 A CB . 50454 1 840 . 1 . 1 230 230 ALA N N 15 119.605 0.1 . 1 . . . . . 884 A N . 50454 1 841 . 1 . 1 231 231 PRO CA C 13 61.801 0.2 . 1 . . . . . 885 P CA . 50454 1 842 . 1 . 1 231 231 PRO CB C 13 30.441 0.2 . 1 . . . . . 885 P CB . 50454 1 843 . 1 . 1 232 232 VAL H H 1 9.042 0.02 . 1 . . . . . 886 V HN . 50454 1 844 . 1 . 1 232 232 VAL CA C 13 64.691 0.2 . 1 . . . . . 886 V CA . 50454 1 845 . 1 . 1 232 232 VAL CB C 13 30.631 0.2 . 1 . . . . . 886 V CB . 50454 1 846 . 1 . 1 232 232 VAL N N 15 124.225 0.1 . 1 . . . . . 886 V N . 50454 1 847 . 1 . 1 233 233 THR H H 1 7.382 0.02 . 1 . . . . . 887 T HN . 50454 1 848 . 1 . 1 233 233 THR CA C 13 62.361 0.2 . 1 . . . . . 887 T CA . 50454 1 849 . 1 . 1 233 233 THR CB C 13 67.961 0.2 . 1 . . . . . 887 T CB . 50454 1 850 . 1 . 1 233 233 THR N N 15 107.175 0.1 . 1 . . . . . 887 T N . 50454 1 851 . 1 . 1 234 234 GLY H H 1 8.012 0.02 . 1 . . . . . 888 G HN . 50454 1 852 . 1 . 1 234 234 GLY CA C 13 44.841 0.2 . 1 . . . . . 888 G CA . 50454 1 853 . 1 . 1 234 234 GLY N N 15 108.005 0.1 . 1 . . . . . 888 G N . 50454 1 854 . 1 . 1 235 235 TYR H H 1 7.142 0.02 . 1 . . . . . 889 Y HN . 50454 1 855 . 1 . 1 235 235 TYR CA C 13 56.601 0.2 . 1 . . . . . 889 Y CA . 50454 1 856 . 1 . 1 235 235 TYR CB C 13 40.031 0.2 . 1 . . . . . 889 Y CB . 50454 1 857 . 1 . 1 235 235 TYR N N 15 116.995 0.1 . 1 . . . . . 889 Y N . 50454 1 858 . 1 . 1 236 236 MET H H 1 9.302 0.02 . 1 . . . . . 890 M HN . 50454 1 859 . 1 . 1 236 236 MET CA C 13 59.601 0.2 . 1 . . . . . 890 M CA . 50454 1 860 . 1 . 1 236 236 MET CB C 13 32.821 0.2 . 1 . . . . . 890 M CB . 50454 1 861 . 1 . 1 236 236 MET N N 15 126.015 0.1 . 1 . . . . . 890 M N . 50454 1 862 . 1 . 1 237 237 PHE H H 1 8.702 0.02 . 1 . . . . . 891 F HN . 50454 1 863 . 1 . 1 237 237 PHE CA C 13 56.441 0.2 . 1 . . . . . 891 F CA . 50454 1 864 . 1 . 1 237 237 PHE CB C 13 38.661 0.2 . 1 . . . . . 891 F CB . 50454 1 865 . 1 . 1 237 237 PHE N N 15 112.775 0.1 . 1 . . . . . 891 F N . 50454 1 866 . 1 . 1 238 238 GLY H H 1 7.932 0.02 . 1 . . . . . 892 G HN . 50454 1 867 . 1 . 1 238 238 GLY CA C 13 43.691 0.2 . 1 . . . . . 892 G CA . 50454 1 868 . 1 . 1 238 238 GLY N N 15 104.755 0.1 . 1 . . . . . 892 G N . 50454 1 869 . 1 . 1 239 239 LYS H H 1 9.102 0.02 . 1 . . . . . 893 K HN . 50454 1 870 . 1 . 1 239 239 LYS CA C 13 57.031 0.2 . 1 . . . . . 893 K CA . 50454 1 871 . 1 . 1 239 239 LYS CB C 13 28.851 0.2 . 1 . . . . . 893 K CB . 50454 1 872 . 1 . 1 239 239 LYS N N 15 121.385 0.1 . 1 . . . . . 893 K N . 50454 1 873 . 1 . 1 240 240 GLY H H 1 7.082 0.02 . 1 . . . . . 894 G HN . 50454 1 874 . 1 . 1 240 240 GLY CA C 13 43.551 0.2 . 1 . . . . . 894 G CA . 50454 1 875 . 1 . 1 240 240 GLY N N 15 110.675 0.1 . 1 . . . . . 894 G N . 50454 1 876 . 1 . 1 241 241 ILE H H 1 8.682 0.02 . 1 . . . . . 895 I HN . 50454 1 877 . 1 . 1 241 241 ILE CA C 13 60.701 0.2 . 1 . . . . . 895 I CA . 50454 1 878 . 1 . 1 241 241 ILE CB C 13 37.671 0.2 . 1 . . . . . 895 I CB . 50454 1 879 . 1 . 1 241 241 ILE N N 15 121.515 0.1 . 1 . . . . . 895 I N . 50454 1 880 . 1 . 1 242 242 TYR H H 1 8.742 0.02 . 1 . . . . . 896 Y HN . 50454 1 881 . 1 . 1 242 242 TYR CA C 13 57.821 0.2 . 1 . . . . . 896 Y CA . 50454 1 882 . 1 . 1 242 242 TYR CB C 13 38.181 0.2 . 1 . . . . . 896 Y CB . 50454 1 883 . 1 . 1 242 242 TYR N N 15 127.135 0.1 . 1 . . . . . 896 Y N . 50454 1 884 . 1 . 1 243 243 PHE H H 1 9.962 0.02 . 1 . . . . . 897 F HN . 50454 1 885 . 1 . 1 243 243 PHE CA C 13 56.741 0.2 . 1 . . . . . 897 F CA . 50454 1 886 . 1 . 1 243 243 PHE CB C 13 45.081 0.2 . 1 . . . . . 897 F CB . 50454 1 887 . 1 . 1 243 243 PHE N N 15 120.875 0.1 . 1 . . . . . 897 F N . 50454 1 888 . 1 . 1 244 244 ALA H H 1 9.212 0.02 . 1 . . . . . 898 A HN . 50454 1 889 . 1 . 1 244 244 ALA CA C 13 51.181 0.2 . 1 . . . . . 898 A CA . 50454 1 890 . 1 . 1 244 244 ALA CB C 13 22.361 0.2 . 1 . . . . . 898 A CB . 50454 1 891 . 1 . 1 244 244 ALA N N 15 124.155 0.1 . 1 . . . . . 898 A N . 50454 1 892 . 1 . 1 245 245 ASP H H 1 9.182 0.02 . 1 . . . . . 899 D HN . 50454 1 893 . 1 . 1 245 245 ASP CA C 13 52.851 0.2 . 1 . . . . . 899 D CA . 50454 1 894 . 1 . 1 245 245 ASP CB C 13 42.801 0.2 . 1 . . . . . 899 D CB . 50454 1 895 . 1 . 1 245 245 ASP N N 15 116.965 0.1 . 1 . . . . . 899 D N . 50454 1 896 . 1 . 1 246 246 MET H H 1 7.182 0.02 . 1 . . . . . 900 M HN . 50454 1 897 . 1 . 1 246 246 MET CA C 13 53.911 0.2 . 1 . . . . . 900 M CA . 50454 1 898 . 1 . 1 246 246 MET CB C 13 33.771 0.2 . 1 . . . . . 900 M CB . 50454 1 899 . 1 . 1 246 246 MET N N 15 112.845 0.1 . 1 . . . . . 900 M N . 50454 1 900 . 1 . 1 247 247 VAL H H 1 8.302 0.02 . 1 . . . . . 901 V HN . 50454 1 901 . 1 . 1 247 247 VAL CA C 13 63.781 0.2 . 1 . . . . . 901 V CA . 50454 1 902 . 1 . 1 247 247 VAL CB C 13 29.591 0.2 . 1 . . . . . 901 V CB . 50454 1 903 . 1 . 1 247 247 VAL N N 15 126.375 0.1 . 1 . . . . . 901 V N . 50454 1 904 . 1 . 1 248 248 SER H H 1 7.102 0.02 . 1 . . . . . 902 S HN . 50454 1 905 . 1 . 1 248 248 SER CA C 13 60.371 0.2 . 1 . . . . . 902 S CA . 50454 1 906 . 1 . 1 248 248 SER CB C 13 62.081 0.2 . 1 . . . . . 902 S CB . 50454 1 907 . 1 . 1 248 248 SER N N 15 113.415 0.1 . 1 . . . . . 902 S N . 50454 1 908 . 1 . 1 249 249 LYS H H 1 6.672 0.02 . 1 . . . . . 903 K HN . 50454 1 909 . 1 . 1 249 249 LYS CA C 13 56.971 0.2 . 1 . . . . . 903 K CA . 50454 1 910 . 1 . 1 249 249 LYS CB C 13 30.811 0.2 . 1 . . . . . 903 K CB . 50454 1 911 . 1 . 1 249 249 LYS N N 15 119.065 0.1 . 1 . . . . . 903 K N . 50454 1 912 . 1 . 1 250 250 SER H H 1 6.712 0.02 . 1 . . . . . 904 S HN . 50454 1 913 . 1 . 1 250 250 SER CA C 13 61.191 0.2 . 1 . . . . . 904 S CA . 50454 1 914 . 1 . 1 250 250 SER CB C 13 63.821 0.2 . 1 . . . . . 904 S CB . 50454 1 915 . 1 . 1 250 250 SER N N 15 112.225 0.1 . 1 . . . . . 904 S N . 50454 1 916 . 1 . 1 251 251 ALA H H 1 8.852 0.02 . 1 . . . . . 905 A HN . 50454 1 917 . 1 . 1 251 251 ALA CA C 13 53.721 0.2 . 1 . . . . . 905 A CA . 50454 1 918 . 1 . 1 251 251 ALA CB C 13 16.581 0.2 . 1 . . . . . 905 A CB . 50454 1 919 . 1 . 1 251 251 ALA N N 15 122.205 0.1 . 1 . . . . . 905 A N . 50454 1 920 . 1 . 1 252 252 ASN H H 1 7.302 0.02 . 1 . . . . . 906 N HN . 50454 1 921 . 1 . 1 252 252 ASN CA C 13 54.931 0.2 . 1 . . . . . 906 N CA . 50454 1 922 . 1 . 1 252 252 ASN CB C 13 37.501 0.2 . 1 . . . . . 906 N CB . 50454 1 923 . 1 . 1 252 252 ASN N N 15 116.175 0.1 . 1 . . . . . 906 N N . 50454 1 924 . 1 . 1 253 253 TYR H H 1 7.652 0.02 . 1 . . . . . 907 Y HN . 50454 1 925 . 1 . 1 253 253 TYR CA C 13 58.701 0.2 . 1 . . . . . 907 Y CA . 50454 1 926 . 1 . 1 253 253 TYR CB C 13 36.541 0.2 . 1 . . . . . 907 Y CB . 50454 1 927 . 1 . 1 253 253 TYR N N 15 116.805 0.1 . 1 . . . . . 907 Y N . 50454 1 928 . 1 . 1 254 254 CYS H H 1 7.432 0.02 . 1 . . . . . 908 C HN . 50454 1 929 . 1 . 1 254 254 CYS CA C 13 60.681 0.2 . 1 . . . . . 908 C CA . 50454 1 930 . 1 . 1 254 254 CYS CB C 13 27.651 0.2 . 1 . . . . . 908 C CB . 50454 1 931 . 1 . 1 254 254 CYS N N 15 116.625 0.1 . 1 . . . . . 908 C N . 50454 1 932 . 1 . 1 255 255 HIS H H 1 7.542 0.02 . 1 . . . . . 909 H HN . 50454 1 933 . 1 . 1 255 255 HIS CA C 13 56.471 0.2 . 1 . . . . . 909 H CA . 50454 1 934 . 1 . 1 255 255 HIS CB C 13 26.351 0.2 . 1 . . . . . 909 H CB . 50454 1 935 . 1 . 1 255 255 HIS N N 15 113.065 0.1 . 1 . . . . . 909 H N . 50454 1 936 . 1 . 1 256 256 THR H H 1 7.322 0.02 . 1 . . . . . 910 T HN . 50454 1 937 . 1 . 1 256 256 THR CA C 13 60.481 0.2 . 1 . . . . . 910 T CA . 50454 1 938 . 1 . 1 256 256 THR CB C 13 70.231 0.2 . 1 . . . . . 910 T CB . 50454 1 939 . 1 . 1 256 256 THR N N 15 108.415 0.1 . 1 . . . . . 910 T N . 50454 1 940 . 1 . 1 257 257 SER H H 1 8.032 0.02 . 1 . . . . . 911 S HN . 50454 1 941 . 1 . 1 257 257 SER CA C 13 57.081 0.2 . 1 . . . . . 911 S CA . 50454 1 942 . 1 . 1 257 257 SER CB C 13 65.171 0.2 . 1 . . . . . 911 S CB . 50454 1 943 . 1 . 1 257 257 SER N N 15 113.465 0.1 . 1 . . . . . 911 S N . 50454 1 944 . 1 . 1 258 258 GLN H H 1 8.322 0.02 . 1 . . . . . 912 Q HN . 50454 1 945 . 1 . 1 258 258 GLN CA C 13 59.021 0.2 . 1 . . . . . 912 Q CA . 50454 1 946 . 1 . 1 258 258 GLN CB C 13 27.041 0.2 . 1 . . . . . 912 Q CB . 50454 1 947 . 1 . 1 258 258 GLN N N 15 118.935 0.1 . 1 . . . . . 912 Q N . 50454 1 948 . 1 . 1 259 259 GLY H H 1 8.042 0.02 . 1 . . . . . 913 G HN . 50454 1 949 . 1 . 1 259 259 GLY CA C 13 45.101 0.2 . 1 . . . . . 913 G CA . 50454 1 950 . 1 . 1 259 259 GLY N N 15 104.335 0.1 . 1 . . . . . 913 G N . 50454 1 951 . 1 . 1 260 260 ASP H H 1 7.232 0.02 . 1 . . . . . 914 D HN . 50454 1 952 . 1 . 1 260 260 ASP CA C 13 51.771 0.2 . 1 . . . . . 914 D CA . 50454 1 953 . 1 . 1 260 260 ASP CB C 13 40.361 0.2 . 1 . . . . . 914 D CB . 50454 1 954 . 1 . 1 260 260 ASP N N 15 119.405 0.1 . 1 . . . . . 914 D N . 50454 1 955 . 1 . 1 261 261 PRO CA C 13 64.781 0.2 . 1 . . . . . 915 P CA . 50454 1 956 . 1 . 1 261 261 PRO CB C 13 30.961 0.2 . 1 . . . . . 915 P CB . 50454 1 957 . 1 . 1 262 262 ILE H H 1 7.762 0.02 . 1 . . . . . 916 I HN . 50454 1 958 . 1 . 1 262 262 ILE CA C 13 58.241 0.2 . 1 . . . . . 916 I CA . 50454 1 959 . 1 . 1 262 262 ILE CB C 13 36.791 0.2 . 1 . . . . . 916 I CB . 50454 1 960 . 1 . 1 262 262 ILE N N 15 121.925 0.1 . 1 . . . . . 916 I N . 50454 1 961 . 1 . 1 263 263 GLY H H 1 9.072 0.02 . 1 . . . . . 917 G HN . 50454 1 962 . 1 . 1 263 263 GLY CA C 13 42.911 0.2 . 1 . . . . . 917 G CA . 50454 1 963 . 1 . 1 263 263 GLY N N 15 113.305 0.1 . 1 . . . . . 917 G N . 50454 1 964 . 1 . 1 264 264 LEU H H 1 9.572 0.02 . 1 . . . . . 918 L HN . 50454 1 965 . 1 . 1 264 264 LEU CA C 13 52.441 0.2 . 1 . . . . . 918 L CA . 50454 1 966 . 1 . 1 264 264 LEU CB C 13 43.661 0.2 . 1 . . . . . 918 L CB . 50454 1 967 . 1 . 1 264 264 LEU N N 15 121.025 0.1 . 1 . . . . . 918 L N . 50454 1 968 . 1 . 1 265 265 ILE H H 1 8.312 0.02 . 1 . . . . . 919 I HN . 50454 1 969 . 1 . 1 265 265 ILE CA C 13 60.211 0.2 . 1 . . . . . 919 I CA . 50454 1 970 . 1 . 1 265 265 ILE CB C 13 38.081 0.2 . 1 . . . . . 919 I CB . 50454 1 971 . 1 . 1 265 265 ILE N N 15 114.885 0.1 . 1 . . . . . 919 I N . 50454 1 972 . 1 . 1 267 267 LEU H H 1 8.842 0.02 . 1 . . . . . 921 L HN . 50454 1 973 . 1 . 1 267 267 LEU CA C 13 53.191 0.2 . 1 . . . . . 921 L CA . 50454 1 974 . 1 . 1 267 267 LEU CB C 13 45.071 0.2 . 1 . . . . . 921 L CB . 50454 1 975 . 1 . 1 267 267 LEU N N 15 118.465 0.1 . 1 . . . . . 921 L N . 50454 1 976 . 1 . 1 268 268 GLY H H 1 9.472 0.02 . 1 . . . . . 922 G HN . 50454 1 977 . 1 . 1 268 268 GLY CA C 13 43.251 0.2 . 1 . . . . . 922 G CA . 50454 1 978 . 1 . 1 268 268 GLY N N 15 109.555 0.1 . 1 . . . . . 922 G N . 50454 1 979 . 1 . 1 269 269 GLU H H 1 8.862 0.02 . 1 . . . . . 923 E HN . 50454 1 980 . 1 . 1 269 269 GLU CA C 13 55.271 0.2 . 1 . . . . . 923 E CA . 50454 1 981 . 1 . 1 269 269 GLU CB C 13 29.381 0.2 . 1 . . . . . 923 E CB . 50454 1 982 . 1 . 1 269 269 GLU N N 15 126.045 0.1 . 1 . . . . . 923 E N . 50454 1 983 . 1 . 1 270 270 VAL H H 1 8.762 0.02 . 1 . . . . . 924 V HN . 50454 1 984 . 1 . 1 270 270 VAL CA C 13 59.861 0.2 . 1 . . . . . 924 V CA . 50454 1 985 . 1 . 1 270 270 VAL CB C 13 32.151 0.2 . 1 . . . . . 924 V CB . 50454 1 986 . 1 . 1 270 270 VAL N N 15 127.085 0.1 . 1 . . . . . 924 V N . 50454 1 987 . 1 . 1 271 271 ALA H H 1 8.282 0.02 . 1 . . . . . 925 A HN . 50454 1 988 . 1 . 1 271 271 ALA CA C 13 50.741 0.2 . 1 . . . . . 925 A CA . 50454 1 989 . 1 . 1 271 271 ALA CB C 13 17.621 0.2 . 1 . . . . . 925 A CB . 50454 1 990 . 1 . 1 271 271 ALA N N 15 130.315 0.1 . 1 . . . . . 925 A N . 50454 1 991 . 1 . 1 272 272 LEU H H 1 7.712 0.02 . 1 . . . . . 926 L HN . 50454 1 992 . 1 . 1 272 272 LEU CA C 13 55.581 0.2 . 1 . . . . . 926 L CA . 50454 1 993 . 1 . 1 272 272 LEU CB C 13 40.891 0.2 . 1 . . . . . 926 L CB . 50454 1 994 . 1 . 1 272 272 LEU N N 15 123.235 0.1 . 1 . . . . . 926 L N . 50454 1 995 . 1 . 1 273 273 GLY H H 1 7.342 0.02 . 1 . . . . . 927 G HN . 50454 1 996 . 1 . 1 273 273 GLY CA C 13 45.331 0.2 . 1 . . . . . 927 G CA . 50454 1 997 . 1 . 1 273 273 GLY N N 15 104.635 0.1 . 1 . . . . . 927 G N . 50454 1 998 . 1 . 1 274 274 ASN H H 1 11.662 0.02 . 1 . . . . . 928 N HN . 50454 1 999 . 1 . 1 274 274 ASN CA C 13 52.281 0.2 . 1 . . . . . 928 N CA . 50454 1 1000 . 1 . 1 274 274 ASN CB C 13 37.581 0.2 . 1 . . . . . 928 N CB . 50454 1 1001 . 1 . 1 274 274 ASN N N 15 128.165 0.1 . 1 . . . . . 928 N N . 50454 1 1002 . 1 . 1 275 275 MET H H 1 8.912 0.02 . 1 . . . . . 929 M HN . 50454 1 1003 . 1 . 1 275 275 MET CA C 13 55.211 0.2 . 1 . . . . . 929 M CA . 50454 1 1004 . 1 . 1 275 275 MET CB C 13 32.631 0.2 . 1 . . . . . 929 M CB . 50454 1 1005 . 1 . 1 275 275 MET N N 15 125.515 0.1 . 1 . . . . . 929 M N . 50454 1 1006 . 1 . 1 276 276 TYR H H 1 9.732 0.02 . 1 . . . . . 930 Y HN . 50454 1 1007 . 1 . 1 276 276 TYR CA C 13 53.661 0.2 . 1 . . . . . 930 Y CA . 50454 1 1008 . 1 . 1 276 276 TYR CB C 13 36.491 0.2 . 1 . . . . . 930 Y CB . 50454 1 1009 . 1 . 1 276 276 TYR N N 15 128.375 0.1 . 1 . . . . . 930 Y N . 50454 1 1010 . 1 . 1 277 277 GLU H H 1 8.702 0.02 . 1 . . . . . 931 E HN . 50454 1 1011 . 1 . 1 277 277 GLU CA C 13 55.821 0.2 . 1 . . . . . 931 E CA . 50454 1 1012 . 1 . 1 277 277 GLU CB C 13 29.621 0.2 . 1 . . . . . 931 E CB . 50454 1 1013 . 1 . 1 277 277 GLU N N 15 128.445 0.1 . 1 . . . . . 931 E N . 50454 1 1014 . 1 . 1 278 278 LEU H H 1 8.762 0.02 . 1 . . . . . 932 L HN . 50454 1 1015 . 1 . 1 278 278 LEU CA C 13 53.111 0.2 . 1 . . . . . 932 L CA . 50454 1 1016 . 1 . 1 278 278 LEU CB C 13 46.711 0.2 . 1 . . . . . 932 L CB . 50454 1 1017 . 1 . 1 278 278 LEU N N 15 124.585 0.1 . 1 . . . . . 932 L N . 50454 1 1018 . 1 . 1 279 279 LYS H H 1 8.562 0.02 . 1 . . . . . 933 K HN . 50454 1 1019 . 1 . 1 279 279 LYS CA C 13 55.701 0.2 . 1 . . . . . 933 K CA . 50454 1 1020 . 1 . 1 279 279 LYS CB C 13 33.491 0.2 . 1 . . . . . 933 K CB . 50454 1 1021 . 1 . 1 279 279 LYS N N 15 117.815 0.1 . 1 . . . . . 933 K N . 50454 1 1022 . 1 . 1 280 280 HIS H H 1 7.212 0.02 . 1 . . . . . 934 H HN . 50454 1 1023 . 1 . 1 280 280 HIS CA C 13 53.451 0.2 . 1 . . . . . 934 H CA . 50454 1 1024 . 1 . 1 280 280 HIS CB C 13 32.371 0.2 . 1 . . . . . 934 H CB . 50454 1 1025 . 1 . 1 280 280 HIS N N 15 112.645 0.1 . 1 . . . . . 934 H N . 50454 1 1026 . 1 . 1 281 281 ALA H H 1 8.452 0.02 . 1 . . . . . 935 A HN . 50454 1 1027 . 1 . 1 281 281 ALA CA C 13 52.781 0.2 . 1 . . . . . 935 A CA . 50454 1 1028 . 1 . 1 281 281 ALA CB C 13 18.121 0.2 . 1 . . . . . 935 A CB . 50454 1 1029 . 1 . 1 281 281 ALA N N 15 121.905 0.1 . 1 . . . . . 935 A N . 50454 1 1030 . 1 . 1 282 282 SER H H 1 6.952 0.02 . 1 . . . . . 936 S HN . 50454 1 1031 . 1 . 1 282 282 SER CA C 13 57.421 0.2 . 1 . . . . . 936 S CA . 50454 1 1032 . 1 . 1 282 282 SER CB C 13 65.141 0.2 . 1 . . . . . 936 S CB . 50454 1 1033 . 1 . 1 282 282 SER N N 15 115.815 0.1 . 1 . . . . . 936 S N . 50454 1 1034 . 1 . 1 283 283 HIS CA C 13 54.951 0.2 . 1 . . . . . 937 H CA . 50454 1 1035 . 1 . 1 283 283 HIS CB C 13 27.061 0.2 . 1 . . . . . 937 H CB . 50454 1 1036 . 1 . 1 284 284 ILE H H 1 7.102 0.02 . 1 . . . . . 938 I HN . 50454 1 1037 . 1 . 1 284 284 ILE CA C 13 59.991 0.2 . 1 . . . . . 938 I CA . 50454 1 1038 . 1 . 1 284 284 ILE CB C 13 37.141 0.2 . 1 . . . . . 938 I CB . 50454 1 1039 . 1 . 1 284 284 ILE N N 15 126.425 0.1 . 1 . . . . . 938 I N . 50454 1 1040 . 1 . 1 285 285 SER H H 1 8.732 0.02 . 1 . . . . . 939 S HN . 50454 1 1041 . 1 . 1 285 285 SER N N 15 119.795 0.1 . 1 . . . . . 939 S N . 50454 1 1042 . 1 . 1 286 286 LYS H H 1 7.422 0.02 . 1 . . . . . 940 K HN . 50454 1 1043 . 1 . 1 286 286 LYS CA C 13 54.701 0.2 . 1 . . . . . 940 K CA . 50454 1 1044 . 1 . 1 286 286 LYS CB C 13 33.671 0.2 . 1 . . . . . 940 K CB . 50454 1 1045 . 1 . 1 286 286 LYS N N 15 120.795 0.1 . 1 . . . . . 940 K N . 50454 1 1046 . 1 . 1 287 287 LEU H H 1 8.502 0.02 . 1 . . . . . 941 L HN . 50454 1 1047 . 1 . 1 287 287 LEU CA C 13 52.521 0.2 . 1 . . . . . 941 L CA . 50454 1 1048 . 1 . 1 287 287 LEU CB C 13 40.501 0.2 . 1 . . . . . 941 L CB . 50454 1 1049 . 1 . 1 287 287 LEU N N 15 125.165 0.1 . 1 . . . . . 941 L N . 50454 1 1050 . 1 . 1 288 288 PRO CA C 13 61.801 0.2 . 1 . . . . . 942 P CA . 50454 1 1051 . 1 . 1 288 288 PRO CB C 13 31.031 0.2 . 1 . . . . . 942 P CB . 50454 1 1052 . 1 . 1 289 289 LYS H H 1 8.152 0.02 . 1 . . . . . 943 K HN . 50454 1 1053 . 1 . 1 289 289 LYS CA C 13 57.551 0.2 . 1 . . . . . 943 K CA . 50454 1 1054 . 1 . 1 289 289 LYS CB C 13 31.331 0.2 . 1 . . . . . 943 K CB . 50454 1 1055 . 1 . 1 289 289 LYS N N 15 121.645 0.1 . 1 . . . . . 943 K N . 50454 1 1056 . 1 . 1 290 290 GLY H H 1 8.722 0.02 . 1 . . . . . 944 G HN . 50454 1 1057 . 1 . 1 290 290 GLY CA C 13 44.711 0.2 . 1 . . . . . 944 G CA . 50454 1 1058 . 1 . 1 290 290 GLY N N 15 113.315 0.1 . 1 . . . . . 944 G N . 50454 1 1059 . 1 . 1 291 291 LYS H H 1 7.482 0.02 . 1 . . . . . 945 K HN . 50454 1 1060 . 1 . 1 291 291 LYS CA C 13 52.721 0.2 . 1 . . . . . 945 K CA . 50454 1 1061 . 1 . 1 291 291 LYS CB C 13 32.861 0.2 . 1 . . . . . 945 K CB . 50454 1 1062 . 1 . 1 291 291 LYS N N 15 116.295 0.1 . 1 . . . . . 945 K N . 50454 1 1063 . 1 . 1 292 292 HIS H H 1 9.602 0.02 . 1 . . . . . 946 H HN . 50454 1 1064 . 1 . 1 292 292 HIS CA C 13 57.541 0.2 . 1 . . . . . 946 H CA . 50454 1 1065 . 1 . 1 292 292 HIS N N 15 117.705 0.1 . 1 . . . . . 946 H N . 50454 1 1066 . 1 . 1 293 293 SER H H 1 8.262 0.02 . 1 . . . . . 947 S HN . 50454 1 1067 . 1 . 1 293 293 SER CA C 13 57.741 0.2 . 1 . . . . . 947 S CA . 50454 1 1068 . 1 . 1 293 293 SER CB C 13 64.581 0.2 . 1 . . . . . 947 S CB . 50454 1 1069 . 1 . 1 293 293 SER N N 15 113.665 0.1 . 1 . . . . . 947 S N . 50454 1 1070 . 1 . 1 294 294 VAL H H 1 9.312 0.02 . 1 . . . . . 948 V HN . 50454 1 1071 . 1 . 1 294 294 VAL CA C 13 60.431 0.2 . 1 . . . . . 948 V CA . 50454 1 1072 . 1 . 1 294 294 VAL CB C 13 34.521 0.2 . 1 . . . . . 948 V CB . 50454 1 1073 . 1 . 1 294 294 VAL N N 15 120.535 0.1 . 1 . . . . . 948 V N . 50454 1 1074 . 1 . 1 295 295 LYS H H 1 8.202 0.02 . 1 . . . . . 949 K HN . 50454 1 1075 . 1 . 1 295 295 LYS CA C 13 53.451 0.2 . 1 . . . . . 949 K CA . 50454 1 1076 . 1 . 1 295 295 LYS CB C 13 36.061 0.2 . 1 . . . . . 949 K CB . 50454 1 1077 . 1 . 1 295 295 LYS N N 15 125.775 0.1 . 1 . . . . . 949 K N . 50454 1 1078 . 1 . 1 296 296 GLY H H 1 9.462 0.02 . 1 . . . . . 950 G HN . 50454 1 1079 . 1 . 1 296 296 GLY CA C 13 44.081 0.2 . 1 . . . . . 950 G CA . 50454 1 1080 . 1 . 1 296 296 GLY N N 15 115.555 0.1 . 1 . . . . . 950 G N . 50454 1 1081 . 1 . 1 297 297 LEU H H 1 8.542 0.02 . 1 . . . . . 951 L HN . 50454 1 1082 . 1 . 1 297 297 LEU CA C 13 54.101 0.2 . 1 . . . . . 951 L CA . 50454 1 1083 . 1 . 1 297 297 LEU CB C 13 41.621 0.2 . 1 . . . . . 951 L CB . 50454 1 1084 . 1 . 1 297 297 LEU N N 15 125.075 0.1 . 1 . . . . . 951 L N . 50454 1 1085 . 1 . 1 298 298 GLY H H 1 8.972 0.02 . 1 . . . . . 952 G HN . 50454 1 1086 . 1 . 1 298 298 GLY CA C 13 43.241 0.2 . 1 . . . . . 952 G CA . 50454 1 1087 . 1 . 1 298 298 GLY N N 15 109.425 0.1 . 1 . . . . . 952 G N . 50454 1 1088 . 1 . 1 299 299 LYS H H 1 7.862 0.02 . 1 . . . . . 953 K HN . 50454 1 1089 . 1 . 1 299 299 LYS CA C 13 58.701 0.2 . 1 . . . . . 953 K CA . 50454 1 1090 . 1 . 1 299 299 LYS CB C 13 33.161 0.2 . 1 . . . . . 953 K CB . 50454 1 1091 . 1 . 1 299 299 LYS N N 15 120.945 0.1 . 1 . . . . . 953 K N . 50454 1 1092 . 1 . 1 300 300 THR H H 1 7.702 0.02 . 1 . . . . . 954 T HN . 50454 1 1093 . 1 . 1 300 300 THR CA C 13 61.251 0.2 . 1 . . . . . 954 T CA . 50454 1 1094 . 1 . 1 300 300 THR CB C 13 69.791 0.2 . 1 . . . . . 954 T CB . 50454 1 1095 . 1 . 1 300 300 THR N N 15 116.565 0.1 . 1 . . . . . 954 T N . 50454 1 1096 . 1 . 1 301 301 THR H H 1 9.202 0.02 . 1 . . . . . 955 T HN . 50454 1 1097 . 1 . 1 301 301 THR CA C 13 56.881 0.2 . 1 . . . . . 955 T CA . 50454 1 1098 . 1 . 1 301 301 THR CB C 13 72.511 0.2 . 1 . . . . . 955 T CB . 50454 1 1099 . 1 . 1 301 301 THR N N 15 120.935 0.1 . 1 . . . . . 955 T N . 50454 1 1100 . 1 . 1 302 302 PRO CA C 13 63.611 0.2 . 1 . . . . . 956 P CA . 50454 1 1101 . 1 . 1 302 302 PRO CB C 13 31.661 0.2 . 1 . . . . . 956 P CB . 50454 1 1102 . 1 . 1 303 303 ASP H H 1 8.602 0.02 . 1 . . . . . 957 D HN . 50454 1 1103 . 1 . 1 303 303 ASP CA C 13 52.111 0.2 . 1 . . . . . 957 D CA . 50454 1 1104 . 1 . 1 303 303 ASP CB C 13 40.751 0.2 . 1 . . . . . 957 D CB . 50454 1 1105 . 1 . 1 303 303 ASP N N 15 126.135 0.1 . 1 . . . . . 957 D N . 50454 1 1106 . 1 . 1 304 304 PRO CA C 13 64.021 0.2 . 1 . . . . . 958 P CA . 50454 1 1107 . 1 . 1 304 304 PRO CB C 13 31.101 0.2 . 1 . . . . . 958 P CB . 50454 1 1108 . 1 . 1 305 305 SER H H 1 8.512 0.02 . 1 . . . . . 959 S HN . 50454 1 1109 . 1 . 1 305 305 SER CA C 13 60.101 0.2 . 1 . . . . . 959 S CA . 50454 1 1110 . 1 . 1 305 305 SER CB C 13 62.691 0.2 . 1 . . . . . 959 S CB . 50454 1 1111 . 1 . 1 305 305 SER N N 15 115.195 0.1 . 1 . . . . . 959 S N . 50454 1 1112 . 1 . 1 306 306 ALA H H 1 7.582 0.02 . 1 . . . . . 960 A HN . 50454 1 1113 . 1 . 1 306 306 ALA CA C 13 50.611 0.2 . 1 . . . . . 960 A CA . 50454 1 1114 . 1 . 1 306 306 ALA CB C 13 19.751 0.2 . 1 . . . . . 960 A CB . 50454 1 1115 . 1 . 1 306 306 ALA N N 15 123.495 0.1 . 1 . . . . . 960 A N . 50454 1 1116 . 1 . 1 307 307 ASN H H 1 7.132 0.02 . 1 . . . . . 961 N HN . 50454 1 1117 . 1 . 1 307 307 ASN CA C 13 54.321 0.2 . 1 . . . . . 961 N CA . 50454 1 1118 . 1 . 1 307 307 ASN CB C 13 37.971 0.2 . 1 . . . . . 961 N CB . 50454 1 1119 . 1 . 1 307 307 ASN N N 15 116.655 0.1 . 1 . . . . . 961 N N . 50454 1 1120 . 1 . 1 308 308 ILE H H 1 7.872 0.02 . 1 . . . . . 962 I HN . 50454 1 1121 . 1 . 1 308 308 ILE CA C 13 58.691 0.2 . 1 . . . . . 962 I CA . 50454 1 1122 . 1 . 1 308 308 ILE CB C 13 41.061 0.2 . 1 . . . . . 962 I CB . 50454 1 1123 . 1 . 1 308 308 ILE N N 15 117.065 0.1 . 1 . . . . . 962 I N . 50454 1 1124 . 1 . 1 309 309 SER H H 1 8.222 0.02 . 1 . . . . . 963 S HN . 50454 1 1125 . 1 . 1 309 309 SER CA C 13 56.021 0.2 . 1 . . . . . 963 S CA . 50454 1 1126 . 1 . 1 309 309 SER CB C 13 63.881 0.2 . 1 . . . . . 963 S CB . 50454 1 1127 . 1 . 1 309 309 SER N N 15 115.655 0.1 . 1 . . . . . 963 S N . 50454 1 1128 . 1 . 1 310 310 LEU H H 1 9.232 0.02 . 1 . . . . . 964 L HN . 50454 1 1129 . 1 . 1 310 310 LEU CA C 13 53.071 0.2 . 1 . . . . . 964 L CA . 50454 1 1130 . 1 . 1 310 310 LEU CB C 13 42.691 0.2 . 1 . . . . . 964 L CB . 50454 1 1131 . 1 . 1 310 310 LEU N N 15 128.835 0.1 . 1 . . . . . 964 L N . 50454 1 1132 . 1 . 1 311 311 ASP H H 1 9.312 0.02 . 1 . . . . . 965 D HN . 50454 1 1133 . 1 . 1 311 311 ASP CA C 13 54.831 0.2 . 1 . . . . . 965 D CA . 50454 1 1134 . 1 . 1 311 311 ASP CB C 13 39.481 0.2 . 1 . . . . . 965 D CB . 50454 1 1135 . 1 . 1 311 311 ASP N N 15 127.885 0.1 . 1 . . . . . 965 D N . 50454 1 1136 . 1 . 1 312 312 GLY H H 1 8.042 0.02 . 1 . . . . . 966 G HN . 50454 1 1137 . 1 . 1 312 312 GLY CA C 13 44.991 0.2 . 1 . . . . . 966 G CA . 50454 1 1138 . 1 . 1 312 312 GLY N N 15 102.415 0.1 . 1 . . . . . 966 G N . 50454 1 1139 . 1 . 1 313 313 VAL H H 1 7.502 0.02 . 1 . . . . . 967 V HN . 50454 1 1140 . 1 . 1 313 313 VAL CA C 13 60.551 0.2 . 1 . . . . . 967 V CA . 50454 1 1141 . 1 . 1 313 313 VAL CB C 13 31.981 0.2 . 1 . . . . . 967 V CB . 50454 1 1142 . 1 . 1 313 313 VAL N N 15 121.685 0.1 . 1 . . . . . 967 V N . 50454 1 1143 . 1 . 1 314 314 ASP H H 1 8.332 0.02 . 1 . . . . . 968 D HN . 50454 1 1144 . 1 . 1 314 314 ASP CA C 13 55.061 0.2 . 1 . . . . . 968 D CA . 50454 1 1145 . 1 . 1 314 314 ASP CB C 13 42.001 0.2 . 1 . . . . . 968 D CB . 50454 1 1146 . 1 . 1 314 314 ASP N N 15 126.545 0.1 . 1 . . . . . 968 D N . 50454 1 1147 . 1 . 1 315 315 VAL H H 1 9.102 0.02 . 1 . . . . . 969 V HN . 50454 1 1148 . 1 . 1 315 315 VAL CA C 13 58.721 0.2 . 1 . . . . . 969 V CA . 50454 1 1149 . 1 . 1 315 315 VAL CB C 13 31.411 0.2 . 1 . . . . . 969 V CB . 50454 1 1150 . 1 . 1 315 315 VAL N N 15 123.545 0.1 . 1 . . . . . 969 V N . 50454 1 1151 . 1 . 1 316 316 PRO CA C 13 60.901 0.2 . 1 . . . . . 970 P CA . 50454 1 1152 . 1 . 1 316 316 PRO CB C 13 28.241 0.2 . 1 . . . . . 970 P CB . 50454 1 1153 . 1 . 1 317 317 LEU H H 1 6.852 0.02 . 1 . . . . . 971 L HN . 50454 1 1154 . 1 . 1 317 317 LEU CA C 13 53.161 0.2 . 1 . . . . . 971 L CA . 50454 1 1155 . 1 . 1 317 317 LEU CB C 13 40.021 0.2 . 1 . . . . . 971 L CB . 50454 1 1156 . 1 . 1 317 317 LEU N N 15 111.845 0.1 . 1 . . . . . 971 L N . 50454 1 1157 . 1 . 1 318 318 GLY H H 1 8.632 0.02 . 1 . . . . . 972 G HN . 50454 1 1158 . 1 . 1 318 318 GLY CA C 13 45.591 0.2 . 1 . . . . . 972 G CA . 50454 1 1159 . 1 . 1 318 318 GLY N N 15 106.285 0.1 . 1 . . . . . 972 G N . 50454 1 1160 . 1 . 1 319 319 THR H H 1 7.662 0.02 . 1 . . . . . 973 T HN . 50454 1 1161 . 1 . 1 319 319 THR CA C 13 61.211 0.2 . 1 . . . . . 973 T CA . 50454 1 1162 . 1 . 1 319 319 THR CB C 13 69.551 0.2 . 1 . . . . . 973 T CB . 50454 1 1163 . 1 . 1 319 319 THR N N 15 108.235 0.1 . 1 . . . . . 973 T N . 50454 1 1164 . 1 . 1 320 320 GLY H H 1 8.352 0.02 . 1 . . . . . 974 G HN . 50454 1 1165 . 1 . 1 320 320 GLY CA C 13 46.321 0.2 . 1 . . . . . 974 G CA . 50454 1 1166 . 1 . 1 320 320 GLY N N 15 108.335 0.1 . 1 . . . . . 974 G N . 50454 1 1167 . 1 . 1 321 321 ILE H H 1 9.332 0.02 . 1 . . . . . 975 I HN . 50454 1 1168 . 1 . 1 321 321 ILE CA C 13 59.151 0.2 . 1 . . . . . 975 I CA . 50454 1 1169 . 1 . 1 321 321 ILE CB C 13 42.531 0.2 . 1 . . . . . 975 I CB . 50454 1 1170 . 1 . 1 321 321 ILE N N 15 122.845 0.1 . 1 . . . . . 975 I N . 50454 1 1171 . 1 . 1 322 322 SER H H 1 8.442 0.02 . 1 . . . . . 976 S HN . 50454 1 1172 . 1 . 1 322 322 SER CA C 13 58.161 0.2 . 1 . . . . . 976 S CA . 50454 1 1173 . 1 . 1 322 322 SER CB C 13 62.491 0.2 . 1 . . . . . 976 S CB . 50454 1 1174 . 1 . 1 322 322 SER N N 15 114.925 0.1 . 1 . . . . . 976 S N . 50454 1 1175 . 1 . 1 323 323 SER H H 1 8.792 0.02 . 1 . . . . . 977 S HN . 50454 1 1176 . 1 . 1 323 323 SER CA C 13 58.241 0.2 . 1 . . . . . 977 S CA . 50454 1 1177 . 1 . 1 323 323 SER CB C 13 64.781 0.2 . 1 . . . . . 977 S CB . 50454 1 1178 . 1 . 1 323 323 SER N N 15 122.225 0.1 . 1 . . . . . 977 S N . 50454 1 1179 . 1 . 1 324 324 GLY H H 1 8.422 0.02 . 1 . . . . . 978 G HN . 50454 1 1180 . 1 . 1 324 324 GLY CA C 13 45.141 0.2 . 1 . . . . . 978 G CA . 50454 1 1181 . 1 . 1 324 324 GLY N N 15 110.395 0.1 . 1 . . . . . 978 G N . 50454 1 1182 . 1 . 1 325 325 VAL H H 1 7.702 0.02 . 1 . . . . . 979 V HN . 50454 1 1183 . 1 . 1 325 325 VAL CA C 13 61.631 0.2 . 1 . . . . . 979 V CA . 50454 1 1184 . 1 . 1 325 325 VAL CB C 13 30.351 0.2 . 1 . . . . . 979 V CB . 50454 1 1185 . 1 . 1 325 325 VAL N N 15 121.495 0.1 . 1 . . . . . 979 V N . 50454 1 1186 . 1 . 1 326 326 ASN H H 1 8.552 0.02 . 1 . . . . . 980 N HN . 50454 1 1187 . 1 . 1 326 326 ASN N N 15 123.995 0.1 . 1 . . . . . 980 N N . 50454 1 1188 . 1 . 1 327 327 ASP H H 1 8.912 0.02 . 1 . . . . . 981 D HN . 50454 1 1189 . 1 . 1 327 327 ASP CA C 13 53.051 0.2 . 1 . . . . . 981 D CA . 50454 1 1190 . 1 . 1 327 327 ASP CB C 13 38.311 0.2 . 1 . . . . . 981 D CB . 50454 1 1191 . 1 . 1 327 327 ASP N N 15 119.245 0.1 . 1 . . . . . 981 D N . 50454 1 1192 . 1 . 1 328 328 THR H H 1 6.972 0.02 . 1 . . . . . 982 T HN . 50454 1 1193 . 1 . 1 328 328 THR CA C 13 57.641 0.2 . 1 . . . . . 982 T CA . 50454 1 1194 . 1 . 1 328 328 THR CB C 13 69.481 0.2 . 1 . . . . . 982 T CB . 50454 1 1195 . 1 . 1 328 328 THR N N 15 109.625 0.1 . 1 . . . . . 982 T N . 50454 1 1196 . 1 . 1 329 329 SER H H 1 8.412 0.02 . 1 . . . . . 983 S HN . 50454 1 1197 . 1 . 1 329 329 SER CA C 13 58.091 0.2 . 1 . . . . . 983 S CA . 50454 1 1198 . 1 . 1 329 329 SER CB C 13 63.501 0.2 . 1 . . . . . 983 S CB . 50454 1 1199 . 1 . 1 329 329 SER N N 15 120.465 0.1 . 1 . . . . . 983 S N . 50454 1 1200 . 1 . 1 330 330 LEU H H 1 8.232 0.02 . 1 . . . . . 984 L HN . 50454 1 1201 . 1 . 1 330 330 LEU CA C 13 54.231 0.2 . 1 . . . . . 984 L CA . 50454 1 1202 . 1 . 1 330 330 LEU CB C 13 40.471 0.2 . 1 . . . . . 984 L CB . 50454 1 1203 . 1 . 1 330 330 LEU N N 15 125.345 0.1 . 1 . . . . . 984 L N . 50454 1 1204 . 1 . 1 331 331 LEU H H 1 8.872 0.02 . 1 . . . . . 985 L HN . 50454 1 1205 . 1 . 1 331 331 LEU CA C 13 57.551 0.2 . 1 . . . . . 985 L CA . 50454 1 1206 . 1 . 1 331 331 LEU CB C 13 41.701 0.2 . 1 . . . . . 985 L CB . 50454 1 1207 . 1 . 1 331 331 LEU N N 15 123.815 0.1 . 1 . . . . . 985 L N . 50454 1 1208 . 1 . 1 332 332 TYR H H 1 7.212 0.02 . 1 . . . . . 986 Y HN . 50454 1 1209 . 1 . 1 332 332 TYR CA C 13 55.521 0.2 . 1 . . . . . 986 Y CA . 50454 1 1210 . 1 . 1 332 332 TYR CB C 13 41.441 0.2 . 1 . . . . . 986 Y CB . 50454 1 1211 . 1 . 1 332 332 TYR N N 15 113.755 0.1 . 1 . . . . . 986 Y N . 50454 1 1212 . 1 . 1 333 333 ASN H H 1 10.432 0.02 . 1 . . . . . 987 N HN . 50454 1 1213 . 1 . 1 333 333 ASN CA C 13 52.661 0.2 . 1 . . . . . 987 N CA . 50454 1 1214 . 1 . 1 333 333 ASN CB C 13 38.551 0.2 . 1 . . . . . 987 N CB . 50454 1 1215 . 1 . 1 333 333 ASN N N 15 119.255 0.1 . 1 . . . . . 987 N N . 50454 1 1216 . 1 . 1 334 334 GLU H H 1 8.472 0.02 . 1 . . . . . 988 E HN . 50454 1 1217 . 1 . 1 334 334 GLU CA C 13 55.211 0.2 . 1 . . . . . 988 E CA . 50454 1 1218 . 1 . 1 334 334 GLU CB C 13 33.551 0.2 . 1 . . . . . 988 E CB . 50454 1 1219 . 1 . 1 335 335 TYR H H 1 8.752 0.02 . 1 . . . . . 989 Y HN . 50454 1 1220 . 1 . 1 335 335 TYR CA C 13 55.851 0.2 . 1 . . . . . 989 Y CA . 50454 1 1221 . 1 . 1 335 335 TYR CB C 13 39.831 0.2 . 1 . . . . . 989 Y CB . 50454 1 1222 . 1 . 1 335 335 TYR N N 15 120.585 0.1 . 1 . . . . . 989 Y N . 50454 1 1223 . 1 . 1 336 336 ILE H H 1 9.262 0.02 . 1 . . . . . 990 I HN . 50454 1 1224 . 1 . 1 336 336 ILE CA C 13 60.241 0.2 . 1 . . . . . 990 I CA . 50454 1 1225 . 1 . 1 336 336 ILE CB C 13 39.781 0.2 . 1 . . . . . 990 I CB . 50454 1 1226 . 1 . 1 336 336 ILE N N 15 123.425 0.1 . 1 . . . . . 990 I N . 50454 1 1227 . 1 . 1 337 337 VAL H H 1 7.702 0.02 . 1 . . . . . 991 V HN . 50454 1 1228 . 1 . 1 337 337 VAL CA C 13 58.341 0.2 . 1 . . . . . 991 V CA . 50454 1 1229 . 1 . 1 337 337 VAL CB C 13 33.371 0.2 . 1 . . . . . 991 V CB . 50454 1 1230 . 1 . 1 337 337 VAL N N 15 113.325 0.1 . 1 . . . . . 991 V N . 50454 1 1231 . 1 . 1 338 338 TYR H H 1 9.022 0.02 . 1 . . . . . 992 Y HN . 50454 1 1232 . 1 . 1 338 338 TYR CA C 13 57.801 0.2 . 1 . . . . . 992 Y CA . 50454 1 1233 . 1 . 1 338 338 TYR CB C 13 37.161 0.2 . 1 . . . . . 992 Y CB . 50454 1 1234 . 1 . 1 338 338 TYR N N 15 118.155 0.1 . 1 . . . . . 992 Y N . 50454 1 1235 . 1 . 1 339 339 ASP H H 1 6.822 0.02 . 1 . . . . . 993 D HN . 50454 1 1236 . 1 . 1 339 339 ASP CA C 13 52.481 0.2 . 1 . . . . . 993 D CA . 50454 1 1237 . 1 . 1 339 339 ASP CB C 13 43.401 0.2 . 1 . . . . . 993 D CB . 50454 1 1238 . 1 . 1 339 339 ASP N N 15 119.765 0.1 . 1 . . . . . 993 D N . 50454 1 1239 . 1 . 1 340 340 ILE H H 1 8.412 0.02 . 1 . . . . . 994 I HN . 50454 1 1240 . 1 . 1 340 340 ILE CA C 13 63.381 0.2 . 1 . . . . . 994 I CA . 50454 1 1241 . 1 . 1 340 340 ILE CB C 13 37.001 0.2 . 1 . . . . . 994 I CB . 50454 1 1242 . 1 . 1 340 340 ILE N N 15 120.795 0.1 . 1 . . . . . 994 I N . 50454 1 1243 . 1 . 1 341 341 ALA H H 1 9.172 0.02 . 1 . . . . . 995 A HN . 50454 1 1244 . 1 . 1 341 341 ALA CA C 13 52.691 0.2 . 1 . . . . . 995 A CA . 50454 1 1245 . 1 . 1 341 341 ALA CB C 13 18.301 0.2 . 1 . . . . . 995 A CB . 50454 1 1246 . 1 . 1 341 341 ALA N N 15 123.155 0.1 . 1 . . . . . 995 A N . 50454 1 1247 . 1 . 1 342 342 GLN H H 1 7.092 0.02 . 1 . . . . . 996 Q HN . 50454 1 1248 . 1 . 1 342 342 GLN CA C 13 56.581 0.2 . 1 . . . . . 996 Q CA . 50454 1 1249 . 1 . 1 342 342 GLN CB C 13 29.971 0.2 . 1 . . . . . 996 Q CB . 50454 1 1250 . 1 . 1 342 342 GLN N N 15 112.825 0.1 . 1 . . . . . 996 Q N . 50454 1 1251 . 1 . 1 343 343 VAL H H 1 6.732 0.02 . 1 . . . . . 997 V HN . 50454 1 1252 . 1 . 1 343 343 VAL CA C 13 59.541 0.2 . 1 . . . . . 997 V CA . 50454 1 1253 . 1 . 1 343 343 VAL CB C 13 34.331 0.2 . 1 . . . . . 997 V CB . 50454 1 1254 . 1 . 1 343 343 VAL N N 15 115.895 0.1 . 1 . . . . . 997 V N . 50454 1 1255 . 1 . 1 344 344 ASN H H 1 8.712 0.02 . 1 . . . . . 998 N HN . 50454 1 1256 . 1 . 1 344 344 ASN CA C 13 49.131 0.2 . 1 . . . . . 998 N CA . 50454 1 1257 . 1 . 1 344 344 ASN CB C 13 39.591 0.2 . 1 . . . . . 998 N CB . 50454 1 1258 . 1 . 1 344 344 ASN N N 15 124.955 0.1 . 1 . . . . . 998 N N . 50454 1 1259 . 1 . 1 345 345 LEU H H 1 10.222 0.02 . 1 . . . . . 999 L HN . 50454 1 1260 . 1 . 1 345 345 LEU CA C 13 56.501 0.2 . 1 . . . . . 999 L CA . 50454 1 1261 . 1 . 1 345 345 LEU CB C 13 40.891 0.2 . 1 . . . . . 999 L CB . 50454 1 1262 . 1 . 1 345 345 LEU N N 15 128.845 0.1 . 1 . . . . . 999 L N . 50454 1 1263 . 1 . 1 346 346 LYS H H 1 8.112 0.02 . 1 . . . . . 1000 K HN . 50454 1 1264 . 1 . 1 346 346 LYS CA C 13 55.581 0.2 . 1 . . . . . 1000 K CA . 50454 1 1265 . 1 . 1 346 346 LYS CB C 13 35.401 0.2 . 1 . . . . . 1000 K CB . 50454 1 1266 . 1 . 1 346 346 LYS N N 15 118.015 0.1 . 1 . . . . . 1000 K N . 50454 1 1267 . 1 . 1 347 347 TYR H H 1 8.302 0.02 . 1 . . . . . 1001 Y HN . 50454 1 1268 . 1 . 1 347 347 TYR CA C 13 55.511 0.2 . 1 . . . . . 1001 Y CA . 50454 1 1269 . 1 . 1 347 347 TYR N N 15 112.895 0.1 . 1 . . . . . 1001 Y N . 50454 1 1270 . 1 . 1 348 348 LEU H H 1 9.402 0.02 . 1 . . . . . 1002 L HN . 50454 1 1271 . 1 . 1 348 348 LEU CA C 13 55.001 0.2 . 1 . . . . . 1002 L CA . 50454 1 1272 . 1 . 1 348 348 LEU CB C 13 39.721 0.2 . 1 . . . . . 1002 L CB . 50454 1 1273 . 1 . 1 348 348 LEU N N 15 123.585 0.1 . 1 . . . . . 1002 L N . 50454 1 1274 . 1 . 1 349 349 LEU H H 1 9.752 0.02 . 1 . . . . . 1003 L HN . 50454 1 1275 . 1 . 1 349 349 LEU CA C 13 54.201 0.2 . 1 . . . . . 1003 L CA . 50454 1 1276 . 1 . 1 349 349 LEU N N 15 127.355 0.1 . 1 . . . . . 1003 L N . 50454 1 1277 . 1 . 1 350 350 LYS H H 1 8.652 0.02 . 1 . . . . . 1004 K HN . 50454 1 1278 . 1 . 1 350 350 LYS CA C 13 54.851 0.2 . 1 . . . . . 1004 K CA . 50454 1 1279 . 1 . 1 350 350 LYS N N 15 121.625 0.1 . 1 . . . . . 1004 K N . 50454 1 1280 . 1 . 1 351 351 LEU H H 1 9.332 0.02 . 1 . . . . . 1005 L HN . 50454 1 1281 . 1 . 1 351 351 LEU CA C 13 53.031 0.2 . 1 . . . . . 1005 L CA . 50454 1 1282 . 1 . 1 351 351 LEU CB C 13 44.601 0.2 . 1 . . . . . 1005 L CB . 50454 1 1283 . 1 . 1 351 351 LEU N N 15 128.005 0.1 . 1 . . . . . 1005 L N . 50454 1 1284 . 1 . 1 352 352 LYS H H 1 9.122 0.02 . 1 . . . . . 1006 K HN . 50454 1 1285 . 1 . 1 352 352 LYS CA C 13 54.391 0.2 . 1 . . . . . 1006 K CA . 50454 1 1286 . 1 . 1 352 352 LYS CB C 13 34.111 0.2 . 1 . . . . . 1006 K CB . 50454 1 1287 . 1 . 1 352 352 LYS N N 15 122.125 0.1 . 1 . . . . . 1006 K N . 50454 1 1288 . 1 . 1 353 353 PHE H H 1 9.242 0.02 . 1 . . . . . 1007 F HN . 50454 1 1289 . 1 . 1 353 353 PHE CA C 13 55.461 0.2 . 1 . . . . . 1007 F CA . 50454 1 1290 . 1 . 1 353 353 PHE CB C 13 38.411 0.2 . 1 . . . . . 1007 F CB . 50454 1 1291 . 1 . 1 353 353 PHE N N 15 127.805 0.1 . 1 . . . . . 1007 F N . 50454 1 1292 . 1 . 1 354 354 ASN H H 1 8.682 0.02 . 1 . . . . . 1008 N HN . 50454 1 1293 . 1 . 1 354 354 ASN CA C 13 51.361 0.2 . 1 . . . . . 1008 N CA . 50454 1 1294 . 1 . 1 354 354 ASN CB C 13 38.101 0.2 . 1 . . . . . 1008 N CB . 50454 1 1295 . 1 . 1 354 354 ASN N N 15 122.215 0.1 . 1 . . . . . 1008 N N . 50454 1 1296 . 1 . 1 355 355 PHE H H 1 8.662 0.02 . 1 . . . . . 1009 F HN . 50454 1 1297 . 1 . 1 355 355 PHE CA C 13 59.711 0.2 . 1 . . . . . 1009 F CA . 50454 1 1298 . 1 . 1 355 355 PHE CB C 13 38.891 0.2 . 1 . . . . . 1009 F CB . 50454 1 1299 . 1 . 1 355 355 PHE N N 15 124.635 0.1 . 1 . . . . . 1009 F N . 50454 1 1300 . 1 . 1 356 356 LYS H H 1 8.432 0.02 . 1 . . . . . 1010 K HN . 50454 1 1301 . 1 . 1 356 356 LYS CA C 13 55.901 0.2 . 1 . . . . . 1010 K CA . 50454 1 1302 . 1 . 1 356 356 LYS CB C 13 32.061 0.2 . 1 . . . . . 1010 K CB . 50454 1 1303 . 1 . 1 356 356 LYS N N 15 122.835 0.1 . 1 . . . . . 1010 K N . 50454 1 1304 . 1 . 1 357 357 THR H H 1 8.232 0.02 . 1 . . . . . 1011 T HN . 50454 1 1305 . 1 . 1 357 357 THR CA C 13 61.381 0.2 . 1 . . . . . 1011 T CA . 50454 1 1306 . 1 . 1 357 357 THR CB C 13 69.121 0.2 . 1 . . . . . 1011 T CB . 50454 1 1307 . 1 . 1 357 357 THR N N 15 114.515 0.1 . 1 . . . . . 1011 T N . 50454 1 1308 . 1 . 1 358 358 SER H H 1 8.202 0.02 . 1 . . . . . 1012 S HN . 50454 1 1309 . 1 . 1 358 358 SER CA C 13 57.571 0.2 . 1 . . . . . 1012 S CA . 50454 1 1310 . 1 . 1 358 358 SER CB C 13 63.241 0.2 . 1 . . . . . 1012 S CB . 50454 1 1311 . 1 . 1 358 358 SER N N 15 117.655 0.1 . 1 . . . . . 1012 S N . 50454 1 1312 . 1 . 1 359 359 LEU H H 1 8.072 0.02 . 1 . . . . . 1013 L HN . 50454 1 1313 . 1 . 1 359 359 LEU CA C 13 55.031 0.2 . 1 . . . . . 1013 L CA . 50454 1 1314 . 1 . 1 359 359 LEU CB C 13 41.291 0.2 . 1 . . . . . 1013 L CB . 50454 1 1315 . 1 . 1 359 359 LEU N N 15 124.195 0.1 . 1 . . . . . 1013 L N . 50454 1 1316 . 1 . 1 360 360 TRP H H 1 7.472 0.02 . 1 . . . . . 1014 W HN . 50454 1 1317 . 1 . 1 360 360 TRP CA C 13 57.951 0.2 . 1 . . . . . 1014 W CA . 50454 1 1318 . 1 . 1 360 360 TRP CB C 13 29.421 0.2 . 1 . . . . . 1014 W CB . 50454 1 1319 . 1 . 1 360 360 TRP N N 15 125.335 0.1 . 1 . . . . . 1014 W N . 50454 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50454 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name WT_NH_25 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 ; Assignments at 25degC were derived by careful comparison against the 30degC data, together with identification of likely sidechain type and local contacts in the 3D 15N-separated NOESY data at 25degC, interpreted in conjunction with the known crystal structure (4DQY was used). ; _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 10 '3D 15N-separated NOESY' . . . 50454 2 11 '2D 1H-15N HSQC' . . . 50454 2 12 '2D 1H-15N TROSY' . . . 50454 2 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 . . 50454 2 5 $software_5 . . 50454 2 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 8.323 0.02 . 1 . . . . . 657 V HN . 50454 2 2 . 1 . 1 3 3 VAL N N 15 123.312 0.1 . 1 . . . . . 657 V N . 50454 2 3 . 1 . 1 4 4 ASN H H 1 8.673 0.02 . 1 . . . . . 658 N HN . 50454 2 4 . 1 . 1 4 4 ASN N N 15 124.651 0.1 . 1 . . . . . 658 N N . 50454 2 5 . 1 . 1 6 6 GLY H H 1 8.966 0.02 . 1 . . . . . 660 G HN . 50454 2 6 . 1 . 1 6 6 GLY N N 15 110.697 0.1 . 1 . . . . . 660 G N . 50454 2 7 . 1 . 1 7 7 THR H H 1 7.984 0.02 . 1 . . . . . 661 T HN . 50454 2 8 . 1 . 1 7 7 THR N N 15 113.485 0.1 . 1 . . . . . 661 T N . 50454 2 9 . 1 . 1 8 8 LYS H H 1 8.458 0.02 . 1 . . . . . 662 K HN . 50454 2 10 . 1 . 1 8 8 LYS N N 15 122.527 0.1 . 1 . . . . . 662 K N . 50454 2 11 . 1 . 1 9 9 SER H H 1 8.680 0.02 . 1 . . . . . 663 S HN . 50454 2 12 . 1 . 1 9 9 SER N N 15 117.317 0.1 . 1 . . . . . 663 S N . 50454 2 13 . 1 . 1 10 10 LYS H H 1 9.559 0.02 . 1 . . . . . 664 K HN . 50454 2 14 . 1 . 1 10 10 LYS N N 15 128.092 0.1 . 1 . . . . . 664 K N . 50454 2 15 . 1 . 1 11 11 LEU H H 1 8.474 0.02 . 1 . . . . . 665 L HN . 50454 2 16 . 1 . 1 11 11 LEU N N 15 123.207 0.1 . 1 . . . . . 665 L N . 50454 2 17 . 1 . 1 13 13 LYS H H 1 9.443 0.02 . 1 . . . . . 667 K HN . 50454 2 18 . 1 . 1 13 13 LYS N N 15 127.078 0.1 . 1 . . . . . 667 K N . 50454 2 19 . 1 . 1 15 15 VAL H H 1 7.145 0.02 . 1 . . . . . 669 V HN . 50454 2 20 . 1 . 1 15 15 VAL N N 15 114.939 0.1 . 1 . . . . . 669 V N . 50454 2 21 . 1 . 1 16 16 GLN H H 1 8.038 0.02 . 1 . . . . . 670 Q HN . 50454 2 22 . 1 . 1 16 16 GLN N N 15 119.738 0.1 . 1 . . . . . 670 Q N . 50454 2 23 . 1 . 1 17 17 ASP H H 1 8.474 0.02 . 1 . . . . . 671 D HN . 50454 2 24 . 1 . 1 17 17 ASP N N 15 116.986 0.1 . 1 . . . . . 671 D N . 50454 2 25 . 1 . 1 18 18 LEU H H 1 7.475 0.02 . 1 . . . . . 672 L HN . 50454 2 26 . 1 . 1 18 18 LEU N N 15 123.040 0.1 . 1 . . . . . 672 L N . 50454 2 27 . 1 . 1 19 19 ILE H H 1 8.197 0.02 . 1 . . . . . 673 I HN . 50454 2 28 . 1 . 1 19 19 ILE N N 15 119.257 0.1 . 1 . . . . . 673 I N . 50454 2 29 . 1 . 1 20 20 LYS H H 1 8.206 0.02 . 1 . . . . . 674 K HN . 50454 2 30 . 1 . 1 20 20 LYS N N 15 118.271 0.1 . 1 . . . . . 674 K N . 50454 2 31 . 1 . 1 21 21 MET H H 1 7.569 0.02 . 1 . . . . . 675 M HN . 50454 2 32 . 1 . 1 21 21 MET N N 15 116.310 0.1 . 1 . . . . . 675 M N . 50454 2 33 . 1 . 1 22 22 ILE H H 1 8.066 0.02 . 1 . . . . . 676 I HN . 50454 2 34 . 1 . 1 22 22 ILE N N 15 114.560 0.1 . 1 . . . . . 676 I N . 50454 2 35 . 1 . 1 23 23 PHE H H 1 7.472 0.02 . 1 . . . . . 677 F HN . 50454 2 36 . 1 . 1 23 23 PHE N N 15 117.707 0.1 . 1 . . . . . 677 F N . 50454 2 37 . 1 . 1 24 24 ASP H H 1 6.869 0.02 . 1 . . . . . 678 D HN . 50454 2 38 . 1 . 1 24 24 ASP N N 15 118.865 0.1 . 1 . . . . . 678 D N . 50454 2 39 . 1 . 1 25 25 VAL H H 1 8.715 0.02 . 1 . . . . . 679 V HN . 50454 2 40 . 1 . 1 25 25 VAL N N 15 129.390 0.1 . 1 . . . . . 679 V N . 50454 2 41 . 1 . 1 26 26 GLU H H 1 8.425 0.02 . 1 . . . . . 680 E HN . 50454 2 42 . 1 . 1 26 26 GLU N N 15 121.177 0.1 . 1 . . . . . 680 E N . 50454 2 43 . 1 . 1 27 27 SER H H 1 8.001 0.02 . 1 . . . . . 681 S HN . 50454 2 44 . 1 . 1 27 27 SER N N 15 116.920 0.1 . 1 . . . . . 681 S N . 50454 2 45 . 1 . 1 28 28 MET H H 1 7.524 0.02 . 1 . . . . . 682 M HN . 50454 2 46 . 1 . 1 28 28 MET N N 15 122.523 0.1 . 1 . . . . . 682 M N . 50454 2 47 . 1 . 1 29 29 LYS H H 1 7.950 0.02 . 1 . . . . . 683 K HN . 50454 2 48 . 1 . 1 29 29 LYS N N 15 117.995 0.1 . 1 . . . . . 683 K N . 50454 2 49 . 1 . 1 30 30 LYS H H 1 8.186 0.02 . 1 . . . . . 684 K HN . 50454 2 50 . 1 . 1 30 30 LYS N N 15 118.427 0.1 . 1 . . . . . 684 K N . 50454 2 51 . 1 . 1 31 31 ALA H H 1 7.654 0.02 . 1 . . . . . 685 A HN . 50454 2 52 . 1 . 1 31 31 ALA N N 15 121.106 0.1 . 1 . . . . . 685 A N . 50454 2 53 . 1 . 1 32 32 MET H H 1 7.454 0.02 . 1 . . . . . 686 M HN . 50454 2 54 . 1 . 1 32 32 MET N N 15 114.689 0.1 . 1 . . . . . 686 M N . 50454 2 55 . 1 . 1 33 33 VAL H H 1 8.352 0.02 . 1 . . . . . 687 V HN . 50454 2 56 . 1 . 1 33 33 VAL N N 15 120.092 0.1 . 1 . . . . . 687 V N . 50454 2 57 . 1 . 1 34 34 GLU H H 1 8.158 0.02 . 1 . . . . . 688 E HN . 50454 2 58 . 1 . 1 34 34 GLU N N 15 123.916 0.1 . 1 . . . . . 688 E N . 50454 2 59 . 1 . 1 35 35 TYR H H 1 7.452 0.02 . 1 . . . . . 689 Y HN . 50454 2 60 . 1 . 1 35 35 TYR N N 15 117.735 0.1 . 1 . . . . . 689 Y N . 50454 2 61 . 1 . 1 36 36 GLU H H 1 7.993 0.02 . 1 . . . . . 690 E HN . 50454 2 62 . 1 . 1 36 36 GLU N N 15 110.585 0.1 . 1 . . . . . 690 E N . 50454 2 63 . 1 . 1 37 37 ILE H H 1 7.491 0.02 . 1 . . . . . 691 I HN . 50454 2 64 . 1 . 1 37 37 ILE N N 15 118.628 0.1 . 1 . . . . . 691 I N . 50454 2 65 . 1 . 1 38 38 ASP H H 1 8.021 0.02 . 1 . . . . . 692 D HN . 50454 2 66 . 1 . 1 38 38 ASP N N 15 124.361 0.1 . 1 . . . . . 692 D N . 50454 2 67 . 1 . 1 39 39 LEU H H 1 8.200 0.02 . 1 . . . . . 693 L HN . 50454 2 68 . 1 . 1 39 39 LEU N N 15 127.624 0.1 . 1 . . . . . 693 L N . 50454 2 69 . 1 . 1 40 40 GLN H H 1 8.206 0.02 . 1 . . . . . 694 Q HN . 50454 2 70 . 1 . 1 40 40 GLN N N 15 116.438 0.1 . 1 . . . . . 694 Q N . 50454 2 71 . 1 . 1 41 41 LYS H H 1 7.099 0.02 . 1 . . . . . 695 K HN . 50454 2 72 . 1 . 1 41 41 LYS N N 15 117.787 0.1 . 1 . . . . . 695 K N . 50454 2 73 . 1 . 1 42 42 MET H H 1 8.458 0.02 . 1 . . . . . 696 M HN . 50454 2 74 . 1 . 1 42 42 MET N N 15 121.431 0.1 . 1 . . . . . 696 M N . 50454 2 75 . 1 . 1 44 44 LEU H H 1 8.297 0.02 . 1 . . . . . 698 L HN . 50454 2 76 . 1 . 1 44 44 LEU N N 15 120.828 0.1 . 1 . . . . . 698 L N . 50454 2 77 . 1 . 1 46 46 LYS H H 1 7.925 0.02 . 1 . . . . . 700 K HN . 50454 2 78 . 1 . 1 46 46 LYS N N 15 118.899 0.1 . 1 . . . . . 700 K N . 50454 2 79 . 1 . 1 47 47 LEU H H 1 7.193 0.02 . 1 . . . . . 701 L HN . 50454 2 80 . 1 . 1 47 47 LEU N N 15 122.307 0.1 . 1 . . . . . 701 L N . 50454 2 81 . 1 . 1 48 48 SER H H 1 8.173 0.02 . 1 . . . . . 702 S HN . 50454 2 82 . 1 . 1 48 48 SER N N 15 118.637 0.1 . 1 . . . . . 702 S N . 50454 2 83 . 1 . 1 49 49 LYS H H 1 9.008 0.02 . 1 . . . . . 703 K HN . 50454 2 84 . 1 . 1 49 49 LYS N N 15 124.864 0.1 . 1 . . . . . 703 K N . 50454 2 85 . 1 . 1 50 50 ARG H H 1 8.372 0.02 . 1 . . . . . 704 R HN . 50454 2 86 . 1 . 1 50 50 ARG N N 15 117.893 0.1 . 1 . . . . . 704 R N . 50454 2 87 . 1 . 1 51 51 GLN H H 1 7.605 0.02 . 1 . . . . . 705 Q HN . 50454 2 88 . 1 . 1 51 51 GLN N N 15 121.045 0.1 . 1 . . . . . 705 Q N . 50454 2 89 . 1 . 1 52 52 ILE H H 1 7.695 0.02 . 1 . . . . . 706 I HN . 50454 2 90 . 1 . 1 52 52 ILE N N 15 119.648 0.1 . 1 . . . . . 706 I N . 50454 2 91 . 1 . 1 53 53 GLN H H 1 8.606 0.02 . 1 . . . . . 707 Q HN . 50454 2 92 . 1 . 1 53 53 GLN N N 15 118.380 0.1 . 1 . . . . . 707 Q N . 50454 2 93 . 1 . 1 54 54 ALA H H 1 7.997 0.02 . 1 . . . . . 708 A HN . 50454 2 94 . 1 . 1 54 54 ALA N N 15 121.088 0.1 . 1 . . . . . 708 A N . 50454 2 95 . 1 . 1 55 55 ALA H H 1 8.243 0.02 . 1 . . . . . 709 A HN . 50454 2 96 . 1 . 1 55 55 ALA N N 15 123.946 0.1 . 1 . . . . . 709 A N . 50454 2 97 . 1 . 1 56 56 TYR H H 1 8.721 0.02 . 1 . . . . . 710 Y HN . 50454 2 98 . 1 . 1 56 56 TYR N N 15 120.854 0.1 . 1 . . . . . 710 Y N . 50454 2 99 . 1 . 1 57 57 SER H H 1 7.974 0.02 . 1 . . . . . 711 S HN . 50454 2 100 . 1 . 1 57 57 SER N N 15 113.286 0.1 . 1 . . . . . 711 S N . 50454 2 101 . 1 . 1 58 58 ILE H H 1 7.886 0.02 . 1 . . . . . 712 I HN . 50454 2 102 . 1 . 1 58 58 ILE N N 15 122.420 0.1 . 1 . . . . . 712 I N . 50454 2 103 . 1 . 1 59 59 LEU H H 1 8.201 0.02 . 1 . . . . . 713 L HN . 50454 2 104 . 1 . 1 59 59 LEU N N 15 119.445 0.1 . 1 . . . . . 713 L N . 50454 2 105 . 1 . 1 60 60 SER H H 1 8.456 0.02 . 1 . . . . . 714 S HN . 50454 2 106 . 1 . 1 60 60 SER N N 15 116.434 0.1 . 1 . . . . . 714 S N . 50454 2 107 . 1 . 1 61 61 GLU H H 1 8.058 0.02 . 1 . . . . . 715 E HN . 50454 2 108 . 1 . 1 61 61 GLU N N 15 124.436 0.1 . 1 . . . . . 715 E N . 50454 2 109 . 1 . 1 62 62 VAL H H 1 8.970 0.02 . 1 . . . . . 716 V HN . 50454 2 110 . 1 . 1 62 62 VAL N N 15 123.170 0.1 . 1 . . . . . 716 V N . 50454 2 111 . 1 . 1 63 63 GLN H H 1 8.314 0.02 . 1 . . . . . 717 Q HN . 50454 2 112 . 1 . 1 63 63 GLN N N 15 119.180 0.1 . 1 . . . . . 717 Q N . 50454 2 113 . 1 . 1 64 64 GLN H H 1 7.720 0.02 . 1 . . . . . 718 Q HN . 50454 2 114 . 1 . 1 64 64 GLN N N 15 119.248 0.1 . 1 . . . . . 718 Q N . 50454 2 115 . 1 . 1 65 65 ALA H H 1 8.127 0.02 . 1 . . . . . 719 A HN . 50454 2 116 . 1 . 1 65 65 ALA N N 15 123.409 0.1 . 1 . . . . . 719 A N . 50454 2 117 . 1 . 1 66 66 VAL H H 1 8.816 0.02 . 1 . . . . . 720 V HN . 50454 2 118 . 1 . 1 66 66 VAL N N 15 118.472 0.1 . 1 . . . . . 720 V N . 50454 2 119 . 1 . 1 67 67 SER H H 1 8.067 0.02 . 1 . . . . . 721 S HN . 50454 2 120 . 1 . 1 67 67 SER N N 15 116.031 0.1 . 1 . . . . . 721 S N . 50454 2 121 . 1 . 1 68 68 GLN H H 1 7.966 0.02 . 1 . . . . . 722 Q HN . 50454 2 122 . 1 . 1 68 68 GLN N N 15 117.856 0.1 . 1 . . . . . 722 Q N . 50454 2 123 . 1 . 1 69 69 GLY H H 1 7.752 0.02 . 1 . . . . . 723 G HN . 50454 2 124 . 1 . 1 69 69 GLY N N 15 109.023 0.1 . 1 . . . . . 723 G N . 50454 2 125 . 1 . 1 70 70 SER H H 1 8.279 0.02 . 1 . . . . . 724 S HN . 50454 2 126 . 1 . 1 70 70 SER N N 15 115.689 0.1 . 1 . . . . . 724 S N . 50454 2 127 . 1 . 1 71 71 SER H H 1 8.610 0.02 . 1 . . . . . 725 S HN . 50454 2 128 . 1 . 1 71 71 SER N N 15 117.015 0.1 . 1 . . . . . 725 S N . 50454 2 129 . 1 . 1 72 72 ASP H H 1 8.838 0.02 . 1 . . . . . 726 D HN . 50454 2 130 . 1 . 1 72 72 ASP N N 15 122.602 0.1 . 1 . . . . . 726 D N . 50454 2 131 . 1 . 1 73 73 SER H H 1 8.517 0.02 . 1 . . . . . 727 S HN . 50454 2 132 . 1 . 1 73 73 SER N N 15 115.014 0.1 . 1 . . . . . 727 S N . 50454 2 133 . 1 . 1 74 74 GLN H H 1 7.748 0.02 . 1 . . . . . 728 Q HN . 50454 2 134 . 1 . 1 74 74 GLN N N 15 123.434 0.1 . 1 . . . . . 728 Q N . 50454 2 135 . 1 . 1 75 75 ILE H H 1 7.950 0.02 . 1 . . . . . 729 I HN . 50454 2 136 . 1 . 1 75 75 ILE N N 15 119.684 0.1 . 1 . . . . . 729 I N . 50454 2 137 . 1 . 1 76 76 LEU H H 1 8.472 0.02 . 1 . . . . . 730 L HN . 50454 2 138 . 1 . 1 76 76 LEU N N 15 125.424 0.1 . 1 . . . . . 730 L N . 50454 2 139 . 1 . 1 77 77 ASP H H 1 7.788 0.02 . 1 . . . . . 731 D HN . 50454 2 140 . 1 . 1 77 77 ASP N N 15 118.849 0.1 . 1 . . . . . 731 D N . 50454 2 141 . 1 . 1 78 78 LEU H H 1 8.129 0.02 . 1 . . . . . 732 L HN . 50454 2 142 . 1 . 1 78 78 LEU N N 15 118.694 0.1 . 1 . . . . . 732 L N . 50454 2 143 . 1 . 1 79 79 SER H H 1 8.296 0.02 . 1 . . . . . 733 S HN . 50454 2 144 . 1 . 1 79 79 SER N N 15 115.031 0.1 . 1 . . . . . 733 S N . 50454 2 145 . 1 . 1 80 80 ASN H H 1 8.684 0.02 . 1 . . . . . 734 N HN . 50454 2 146 . 1 . 1 80 80 ASN N N 15 118.753 0.1 . 1 . . . . . 734 N N . 50454 2 147 . 1 . 1 81 81 ARG H H 1 8.471 0.02 . 1 . . . . . 735 R HN . 50454 2 148 . 1 . 1 81 81 ARG N N 15 122.346 0.1 . 1 . . . . . 735 R N . 50454 2 149 . 1 . 1 82 82 PHE H H 1 8.371 0.02 . 1 . . . . . 736 F HN . 50454 2 150 . 1 . 1 82 82 PHE N N 15 122.544 0.1 . 1 . . . . . 736 F N . 50454 2 151 . 1 . 1 83 83 TYR H H 1 8.179 0.02 . 1 . . . . . 737 Y HN . 50454 2 152 . 1 . 1 83 83 TYR N N 15 115.499 0.1 . 1 . . . . . 737 Y N . 50454 2 153 . 1 . 1 84 84 THR H H 1 7.833 0.02 . 1 . . . . . 738 T HN . 50454 2 154 . 1 . 1 84 84 THR N N 15 115.641 0.1 . 1 . . . . . 738 T N . 50454 2 155 . 1 . 1 85 85 LEU H H 1 7.268 0.02 . 1 . . . . . 739 L HN . 50454 2 156 . 1 . 1 85 85 LEU N N 15 122.661 0.1 . 1 . . . . . 739 L N . 50454 2 157 . 1 . 1 86 86 ILE H H 1 7.802 0.02 . 1 . . . . . 740 I HN . 50454 2 158 . 1 . 1 86 86 ILE N N 15 116.738 0.1 . 1 . . . . . 740 I N . 50454 2 159 . 1 . 1 88 88 HIS H H 1 9.033 0.02 . 1 . . . . . 742 H HN . 50454 2 160 . 1 . 1 88 88 HIS N N 15 123.261 0.1 . 1 . . . . . 742 H N . 50454 2 161 . 1 . 1 89 89 ASP H H 1 8.665 0.02 . 1 . . . . . 743 D HN . 50454 2 162 . 1 . 1 89 89 ASP N N 15 121.548 0.1 . 1 . . . . . 743 D N . 50454 2 163 . 1 . 1 90 90 PHE H H 1 8.528 0.02 . 1 . . . . . 744 F HN . 50454 2 164 . 1 . 1 90 90 PHE N N 15 122.866 0.1 . 1 . . . . . 744 F N . 50454 2 165 . 1 . 1 91 91 GLY H H 1 8.708 0.02 . 1 . . . . . 745 G HN . 50454 2 166 . 1 . 1 91 91 GLY N N 15 111.116 0.1 . 1 . . . . . 745 G N . 50454 2 167 . 1 . 1 92 92 MET H H 1 9.091 0.02 . 1 . . . . . 746 M HN . 50454 2 168 . 1 . 1 92 92 MET N N 15 124.550 0.1 . 1 . . . . . 746 M N . 50454 2 169 . 1 . 1 93 93 LYS H H 1 7.841 0.02 . 1 . . . . . 747 K HN . 50454 2 170 . 1 . 1 93 93 LYS N N 15 120.832 0.1 . 1 . . . . . 747 K N . 50454 2 171 . 1 . 1 94 94 LYS H H 1 8.193 0.02 . 1 . . . . . 748 K HN . 50454 2 172 . 1 . 1 94 94 LYS N N 15 122.244 0.1 . 1 . . . . . 748 K N . 50454 2 173 . 1 . 1 97 97 LEU H H 1 8.425 0.02 . 1 . . . . . 751 L HN . 50454 2 174 . 1 . 1 97 97 LEU N N 15 124.009 0.1 . 1 . . . . . 751 L N . 50454 2 175 . 1 . 1 98 98 LEU H H 1 7.925 0.02 . 1 . . . . . 752 L HN . 50454 2 176 . 1 . 1 98 98 LEU N N 15 123.224 0.1 . 1 . . . . . 752 L N . 50454 2 177 . 1 . 1 99 99 ASN H H 1 7.350 0.02 . 1 . . . . . 753 N HN . 50454 2 178 . 1 . 1 99 99 ASN N N 15 113.838 0.1 . 1 . . . . . 753 N N . 50454 2 179 . 1 . 1 100 100 ASN H H 1 7.473 0.02 . 1 . . . . . 754 N HN . 50454 2 180 . 1 . 1 100 100 ASN N N 15 112.648 0.1 . 1 . . . . . 754 N N . 50454 2 181 . 1 . 1 101 101 ALA H H 1 9.009 0.02 . 1 . . . . . 755 A HN . 50454 2 182 . 1 . 1 101 101 ALA N N 15 124.018 0.1 . 1 . . . . . 755 A N . 50454 2 183 . 1 . 1 102 102 ASP H H 1 8.409 0.02 . 1 . . . . . 756 D HN . 50454 2 184 . 1 . 1 102 102 ASP N N 15 118.414 0.1 . 1 . . . . . 756 D N . 50454 2 185 . 1 . 1 103 103 SER H H 1 8.297 0.02 . 1 . . . . . 757 S HN . 50454 2 186 . 1 . 1 103 103 SER N N 15 117.092 0.1 . 1 . . . . . 757 S N . 50454 2 187 . 1 . 1 104 104 VAL H H 1 7.399 0.02 . 1 . . . . . 758 V HN . 50454 2 188 . 1 . 1 104 104 VAL N N 15 122.215 0.1 . 1 . . . . . 758 V N . 50454 2 189 . 1 . 1 105 105 GLN H H 1 8.102 0.02 . 1 . . . . . 759 Q HN . 50454 2 190 . 1 . 1 105 105 GLN N N 15 118.491 0.1 . 1 . . . . . 759 Q N . 50454 2 191 . 1 . 1 106 106 ALA H H 1 8.107 0.02 . 1 . . . . . 760 A HN . 50454 2 192 . 1 . 1 106 106 ALA N N 15 120.775 0.1 . 1 . . . . . 760 A N . 50454 2 193 . 1 . 1 107 107 LYS H H 1 8.028 0.02 . 1 . . . . . 761 K HN . 50454 2 194 . 1 . 1 107 107 LYS N N 15 115.952 0.1 . 1 . . . . . 761 K N . 50454 2 195 . 1 . 1 108 108 ALA H H 1 8.560 0.02 . 1 . . . . . 762 A HN . 50454 2 196 . 1 . 1 108 108 ALA N N 15 124.959 0.1 . 1 . . . . . 762 A N . 50454 2 197 . 1 . 1 109 109 GLU H H 1 7.802 0.02 . 1 . . . . . 763 E HN . 50454 2 198 . 1 . 1 109 109 GLU N N 15 117.161 0.1 . 1 . . . . . 763 E N . 50454 2 199 . 1 . 1 110 110 MET H H 1 7.401 0.02 . 1 . . . . . 764 M HN . 50454 2 200 . 1 . 1 110 110 MET N N 15 118.710 0.1 . 1 . . . . . 764 M N . 50454 2 201 . 1 . 1 111 111 LEU H H 1 8.192 0.02 . 1 . . . . . 765 L HN . 50454 2 202 . 1 . 1 111 111 LEU N N 15 120.477 0.1 . 1 . . . . . 765 L N . 50454 2 203 . 1 . 1 112 112 ASP H H 1 8.676 0.02 . 1 . . . . . 766 D HN . 50454 2 204 . 1 . 1 112 112 ASP N N 15 119.671 0.1 . 1 . . . . . 766 D N . 50454 2 205 . 1 . 1 113 113 ASN H H 1 7.625 0.02 . 1 . . . . . 767 N HN . 50454 2 206 . 1 . 1 113 113 ASN N N 15 117.616 0.1 . 1 . . . . . 767 N N . 50454 2 207 . 1 . 1 114 114 LEU H H 1 8.860 0.02 . 1 . . . . . 768 L HN . 50454 2 208 . 1 . 1 114 114 LEU N N 15 120.967 0.1 . 1 . . . . . 768 L N . 50454 2 209 . 1 . 1 115 115 LEU H H 1 8.771 0.02 . 1 . . . . . 769 L HN . 50454 2 210 . 1 . 1 115 115 LEU N N 15 119.836 0.1 . 1 . . . . . 769 L N . 50454 2 211 . 1 . 1 116 116 ASP H H 1 7.146 0.02 . 1 . . . . . 770 D HN . 50454 2 212 . 1 . 1 116 116 ASP N N 15 118.766 0.1 . 1 . . . . . 770 D N . 50454 2 213 . 1 . 1 117 117 ILE H H 1 8.548 0.02 . 1 . . . . . 771 I HN . 50454 2 214 . 1 . 1 117 117 ILE N N 15 127.565 0.1 . 1 . . . . . 771 I N . 50454 2 215 . 1 . 1 118 118 GLU H H 1 8.722 0.02 . 1 . . . . . 772 E HN . 50454 2 216 . 1 . 1 118 118 GLU N N 15 121.206 0.1 . 1 . . . . . 772 E N . 50454 2 217 . 1 . 1 119 119 VAL H H 1 7.571 0.02 . 1 . . . . . 773 V HN . 50454 2 218 . 1 . 1 119 119 VAL N N 15 118.544 0.1 . 1 . . . . . 773 V N . 50454 2 219 . 1 . 1 120 120 ALA H H 1 7.979 0.02 . 1 . . . . . 774 A HN . 50454 2 220 . 1 . 1 120 120 ALA N N 15 122.373 0.1 . 1 . . . . . 774 A N . 50454 2 221 . 1 . 1 121 121 TYR H H 1 9.223 0.02 . 1 . . . . . 775 Y HN . 50454 2 222 . 1 . 1 121 121 TYR N N 15 118.034 0.1 . 1 . . . . . 775 Y N . 50454 2 223 . 1 . 1 122 122 SER H H 1 8.772 0.02 . 1 . . . . . 776 S HN . 50454 2 224 . 1 . 1 122 122 SER N N 15 115.257 0.1 . 1 . . . . . 776 S N . 50454 2 225 . 1 . 1 123 123 LEU H H 1 8.159 0.02 . 1 . . . . . 777 L HN . 50454 2 226 . 1 . 1 123 123 LEU N N 15 122.949 0.1 . 1 . . . . . 777 L N . 50454 2 227 . 1 . 1 124 124 LEU H H 1 7.941 0.02 . 1 . . . . . 778 L HN . 50454 2 228 . 1 . 1 124 124 LEU N N 15 119.973 0.1 . 1 . . . . . 778 L N . 50454 2 229 . 1 . 1 125 125 ARG H H 1 7.819 0.02 . 1 . . . . . 779 R HN . 50454 2 230 . 1 . 1 125 125 ARG N N 15 117.082 0.1 . 1 . . . . . 779 R N . 50454 2 231 . 1 . 1 126 126 GLY H H 1 7.768 0.02 . 1 . . . . . 780 G HN . 50454 2 232 . 1 . 1 126 126 GLY N N 15 108.188 0.1 . 1 . . . . . 780 G N . 50454 2 233 . 1 . 1 127 127 GLY H H 1 8.031 0.02 . 1 . . . . . 781 G HN . 50454 2 234 . 1 . 1 127 127 GLY N N 15 107.849 0.1 . 1 . . . . . 781 G N . 50454 2 235 . 1 . 1 128 128 SER H H 1 8.308 0.02 . 1 . . . . . 782 S HN . 50454 2 236 . 1 . 1 128 128 SER N N 15 115.302 0.1 . 1 . . . . . 782 S N . 50454 2 237 . 1 . 1 129 129 ASP H H 1 8.489 0.02 . 1 . . . . . 783 D HN . 50454 2 238 . 1 . 1 129 129 ASP N N 15 123.099 0.1 . 1 . . . . . 783 D N . 50454 2 239 . 1 . 1 130 130 ASP H H 1 8.196 0.02 . 1 . . . . . 784 D HN . 50454 2 240 . 1 . 1 130 130 ASP N N 15 120.707 0.1 . 1 . . . . . 784 D N . 50454 2 241 . 1 . 1 131 131 SER H H 1 8.602 0.02 . 1 . . . . . 785 S HN . 50454 2 242 . 1 . 1 131 131 SER N N 15 119.661 0.1 . 1 . . . . . 785 S N . 50454 2 243 . 1 . 1 132 132 SER H H 1 8.696 0.02 . 1 . . . . . 786 S HN . 50454 2 244 . 1 . 1 132 132 SER N N 15 117.394 0.1 . 1 . . . . . 786 S N . 50454 2 245 . 1 . 1 133 133 LYS H H 1 7.454 0.02 . 1 . . . . . 787 K HN . 50454 2 246 . 1 . 1 133 133 LYS N N 15 122.334 0.1 . 1 . . . . . 787 K N . 50454 2 247 . 1 . 1 134 134 ASP H H 1 9.005 0.02 . 1 . . . . . 788 D HN . 50454 2 248 . 1 . 1 134 134 ASP N N 15 125.782 0.1 . 1 . . . . . 788 D N . 50454 2 249 . 1 . 1 136 136 ILE H H 1 8.937 0.02 . 1 . . . . . 790 I HN . 50454 2 250 . 1 . 1 136 136 ILE N N 15 117.885 0.1 . 1 . . . . . 790 I N . 50454 2 251 . 1 . 1 137 137 ASP H H 1 7.340 0.02 . 1 . . . . . 791 D HN . 50454 2 252 . 1 . 1 137 137 ASP N N 15 121.108 0.1 . 1 . . . . . 791 D N . 50454 2 253 . 1 . 1 138 138 VAL H H 1 7.807 0.02 . 1 . . . . . 792 V HN . 50454 2 254 . 1 . 1 138 138 VAL N N 15 121.113 0.1 . 1 . . . . . 792 V N . 50454 2 255 . 1 . 1 139 139 ASN H H 1 8.005 0.02 . 1 . . . . . 793 N HN . 50454 2 256 . 1 . 1 139 139 ASN N N 15 118.855 0.1 . 1 . . . . . 793 N N . 50454 2 257 . 1 . 1 140 140 TYR H H 1 8.531 0.02 . 1 . . . . . 794 Y HN . 50454 2 258 . 1 . 1 140 140 TYR N N 15 119.229 0.1 . 1 . . . . . 794 Y N . 50454 2 259 . 1 . 1 141 141 GLU H H 1 8.320 0.02 . 1 . . . . . 795 E HN . 50454 2 260 . 1 . 1 141 141 GLU N N 15 120.877 0.1 . 1 . . . . . 795 E N . 50454 2 261 . 1 . 1 142 142 LYS H H 1 7.578 0.02 . 1 . . . . . 796 K HN . 50454 2 262 . 1 . 1 142 142 LYS N N 15 117.256 0.1 . 1 . . . . . 796 K N . 50454 2 263 . 1 . 1 143 143 LEU H H 1 7.419 0.02 . 1 . . . . . 797 L HN . 50454 2 264 . 1 . 1 143 143 LEU N N 15 113.682 0.1 . 1 . . . . . 797 L N . 50454 2 265 . 1 . 1 144 144 LYS H H 1 7.535 0.02 . 1 . . . . . 798 K HN . 50454 2 266 . 1 . 1 144 144 LYS N N 15 114.444 0.1 . 1 . . . . . 798 K N . 50454 2 267 . 1 . 1 145 145 THR H H 1 8.385 0.02 . 1 . . . . . 799 T HN . 50454 2 268 . 1 . 1 145 145 THR N N 15 114.451 0.1 . 1 . . . . . 799 T N . 50454 2 269 . 1 . 1 146 146 ASP H H 1 8.292 0.02 . 1 . . . . . 800 D HN . 50454 2 270 . 1 . 1 146 146 ASP N N 15 127.993 0.1 . 1 . . . . . 800 D N . 50454 2 271 . 1 . 1 147 147 ILE H H 1 8.072 0.02 . 1 . . . . . 801 I HN . 50454 2 272 . 1 . 1 147 147 ILE N N 15 125.977 0.1 . 1 . . . . . 801 I N . 50454 2 273 . 1 . 1 148 148 LYS H H 1 8.785 0.02 . 1 . . . . . 802 K HN . 50454 2 274 . 1 . 1 148 148 LYS N N 15 125.880 0.1 . 1 . . . . . 802 K N . 50454 2 275 . 1 . 1 149 149 VAL H H 1 9.211 0.02 . 1 . . . . . 803 V HN . 50454 2 276 . 1 . 1 149 149 VAL N N 15 123.603 0.1 . 1 . . . . . 803 V N . 50454 2 277 . 1 . 1 150 150 VAL H H 1 8.691 0.02 . 1 . . . . . 804 V HN . 50454 2 278 . 1 . 1 150 150 VAL N N 15 131.216 0.1 . 1 . . . . . 804 V N . 50454 2 279 . 1 . 1 151 151 ASP H H 1 8.813 0.02 . 1 . . . . . 805 D HN . 50454 2 280 . 1 . 1 151 151 ASP N N 15 128.315 0.1 . 1 . . . . . 805 D N . 50454 2 281 . 1 . 1 152 152 ARG H H 1 8.820 0.02 . 1 . . . . . 806 R HN . 50454 2 282 . 1 . 1 152 152 ARG N N 15 127.028 0.1 . 1 . . . . . 806 R N . 50454 2 283 . 1 . 1 153 153 ASP H H 1 8.503 0.02 . 1 . . . . . 807 D HN . 50454 2 284 . 1 . 1 153 153 ASP N N 15 117.505 0.1 . 1 . . . . . 807 D N . 50454 2 285 . 1 . 1 154 154 SER H H 1 7.655 0.02 . 1 . . . . . 808 S HN . 50454 2 286 . 1 . 1 154 154 SER N N 15 115.364 0.1 . 1 . . . . . 808 S N . 50454 2 287 . 1 . 1 155 155 GLU H H 1 9.015 0.02 . 1 . . . . . 809 E HN . 50454 2 288 . 1 . 1 155 155 GLU N N 15 123.627 0.1 . 1 . . . . . 809 E N . 50454 2 289 . 1 . 1 156 156 GLU H H 1 8.673 0.02 . 1 . . . . . 810 E HN . 50454 2 290 . 1 . 1 156 156 GLU N N 15 117.997 0.1 . 1 . . . . . 810 E N . 50454 2 291 . 1 . 1 157 157 ALA H H 1 7.407 0.02 . 1 . . . . . 811 A HN . 50454 2 292 . 1 . 1 157 157 ALA N N 15 119.602 0.1 . 1 . . . . . 811 A N . 50454 2 293 . 1 . 1 158 158 GLU H H 1 7.766 0.02 . 1 . . . . . 812 E HN . 50454 2 294 . 1 . 1 158 158 GLU N N 15 118.318 0.1 . 1 . . . . . 812 E N . 50454 2 295 . 1 . 1 159 159 ILE H H 1 8.030 0.02 . 1 . . . . . 813 I HN . 50454 2 296 . 1 . 1 159 159 ILE N N 15 120.455 0.1 . 1 . . . . . 813 I N . 50454 2 297 . 1 . 1 160 160 ILE H H 1 7.730 0.02 . 1 . . . . . 814 I HN . 50454 2 298 . 1 . 1 160 160 ILE N N 15 119.922 0.1 . 1 . . . . . 814 I N . 50454 2 299 . 1 . 1 161 161 ARG H H 1 8.844 0.02 . 1 . . . . . 815 R HN . 50454 2 300 . 1 . 1 161 161 ARG N N 15 118.227 0.1 . 1 . . . . . 815 R N . 50454 2 301 . 1 . 1 162 162 LYS H H 1 8.234 0.02 . 1 . . . . . 816 K HN . 50454 2 302 . 1 . 1 162 162 LYS N N 15 121.828 0.1 . 1 . . . . . 816 K N . 50454 2 303 . 1 . 1 163 163 TYR H H 1 8.448 0.02 . 1 . . . . . 817 Y HN . 50454 2 304 . 1 . 1 163 163 TYR N N 15 122.190 0.1 . 1 . . . . . 817 Y N . 50454 2 305 . 1 . 1 164 164 VAL H H 1 8.403 0.02 . 1 . . . . . 818 V HN . 50454 2 306 . 1 . 1 164 164 VAL N N 15 119.542 0.1 . 1 . . . . . 818 V N . 50454 2 307 . 1 . 1 165 165 LYS H H 1 8.142 0.02 . 1 . . . . . 819 K HN . 50454 2 308 . 1 . 1 165 165 LYS N N 15 117.292 0.1 . 1 . . . . . 819 K N . 50454 2 309 . 1 . 1 166 166 ASN H H 1 9.224 0.02 . 1 . . . . . 820 N HN . 50454 2 310 . 1 . 1 166 166 ASN N N 15 115.469 0.1 . 1 . . . . . 820 N N . 50454 2 311 . 1 . 1 167 167 THR H H 1 7.441 0.02 . 1 . . . . . 821 T HN . 50454 2 312 . 1 . 1 167 167 THR N N 15 105.787 0.1 . 1 . . . . . 821 T N . 50454 2 313 . 1 . 1 168 168 HIS H H 1 7.095 0.02 . 1 . . . . . 822 H HN . 50454 2 314 . 1 . 1 168 168 HIS N N 15 120.218 0.1 . 1 . . . . . 822 H N . 50454 2 315 . 1 . 1 174 174 ALA H H 1 8.525 0.02 . 1 . . . . . 828 A HN . 50454 2 316 . 1 . 1 174 174 ALA N N 15 122.393 0.1 . 1 . . . . . 828 A N . 50454 2 317 . 1 . 1 175 175 TYR H H 1 6.954 0.02 . 1 . . . . . 829 Y HN . 50454 2 318 . 1 . 1 175 175 TYR N N 15 111.583 0.1 . 1 . . . . . 829 Y N . 50454 2 319 . 1 . 1 176 176 ASP H H 1 8.257 0.02 . 1 . . . . . 830 D HN . 50454 2 320 . 1 . 1 176 176 ASP N N 15 119.317 0.1 . 1 . . . . . 830 D N . 50454 2 321 . 1 . 1 177 177 LEU H H 1 8.810 0.02 . 1 . . . . . 831 L HN . 50454 2 322 . 1 . 1 177 177 LEU N N 15 125.005 0.1 . 1 . . . . . 831 L N . 50454 2 323 . 1 . 1 178 178 GLU H H 1 8.639 0.02 . 1 . . . . . 832 E HN . 50454 2 324 . 1 . 1 178 178 GLU N N 15 122.231 0.1 . 1 . . . . . 832 E N . 50454 2 325 . 1 . 1 179 179 VAL H H 1 9.168 0.02 . 1 . . . . . 833 V HN . 50454 2 326 . 1 . 1 179 179 VAL N N 15 125.943 0.1 . 1 . . . . . 833 V N . 50454 2 327 . 1 . 1 180 180 ILE H H 1 9.008 0.02 . 1 . . . . . 834 I HN . 50454 2 328 . 1 . 1 180 180 ILE N N 15 129.526 0.1 . 1 . . . . . 834 I N . 50454 2 329 . 1 . 1 181 181 ASP H H 1 7.262 0.02 . 1 . . . . . 835 D HN . 50454 2 330 . 1 . 1 181 181 ASP N N 15 114.522 0.1 . 1 . . . . . 835 D N . 50454 2 331 . 1 . 1 182 182 ILE H H 1 8.630 0.02 . 1 . . . . . 836 I HN . 50454 2 332 . 1 . 1 182 182 ILE N N 15 119.666 0.1 . 1 . . . . . 836 I N . 50454 2 333 . 1 . 1 183 183 PHE H H 1 9.439 0.02 . 1 . . . . . 837 F HN . 50454 2 334 . 1 . 1 183 183 PHE N N 15 123.424 0.1 . 1 . . . . . 837 F N . 50454 2 335 . 1 . 1 184 184 LYS H H 1 9.653 0.02 . 1 . . . . . 838 K HN . 50454 2 336 . 1 . 1 184 184 LYS N N 15 126.572 0.1 . 1 . . . . . 838 K N . 50454 2 337 . 1 . 1 185 185 ILE H H 1 7.846 0.02 . 1 . . . . . 839 I HN . 50454 2 338 . 1 . 1 185 185 ILE N N 15 120.182 0.1 . 1 . . . . . 839 I N . 50454 2 339 . 1 . 1 186 186 GLU H H 1 8.127 0.02 . 1 . . . . . 840 E HN . 50454 2 340 . 1 . 1 186 186 GLU N N 15 119.971 0.1 . 1 . . . . . 840 E N . 50454 2 341 . 1 . 1 187 187 ARG H H 1 9.689 0.02 . 1 . . . . . 841 R HN . 50454 2 342 . 1 . 1 187 187 ARG N N 15 131.464 0.1 . 1 . . . . . 841 R N . 50454 2 343 . 1 . 1 188 188 GLU H H 1 8.861 0.02 . 1 . . . . . 842 E HN . 50454 2 344 . 1 . 1 188 188 GLU N N 15 128.088 0.1 . 1 . . . . . 842 E N . 50454 2 345 . 1 . 1 189 189 GLY H H 1 9.179 0.02 . 1 . . . . . 843 G HN . 50454 2 346 . 1 . 1 189 189 GLY N N 15 114.750 0.1 . 1 . . . . . 843 G N . 50454 2 347 . 1 . 1 190 190 GLU H H 1 7.785 0.02 . 1 . . . . . 844 E HN . 50454 2 348 . 1 . 1 190 190 GLU N N 15 124.609 0.1 . 1 . . . . . 844 E N . 50454 2 349 . 1 . 1 191 191 CYS H H 1 9.131 0.02 . 1 . . . . . 845 C HN . 50454 2 350 . 1 . 1 191 191 CYS N N 15 118.261 0.1 . 1 . . . . . 845 C N . 50454 2 351 . 1 . 1 192 192 GLN H H 1 8.464 0.02 . 1 . . . . . 846 Q HN . 50454 2 352 . 1 . 1 192 192 GLN N N 15 119.703 0.1 . 1 . . . . . 846 Q N . 50454 2 353 . 1 . 1 193 193 ARG H H 1 7.574 0.02 . 1 . . . . . 847 R HN . 50454 2 354 . 1 . 1 193 193 ARG N N 15 120.459 0.1 . 1 . . . . . 847 R N . 50454 2 355 . 1 . 1 194 194 TYR H H 1 8.198 0.02 . 1 . . . . . 848 Y HN . 50454 2 356 . 1 . 1 194 194 TYR N N 15 118.163 0.1 . 1 . . . . . 848 Y N . 50454 2 357 . 1 . 1 195 195 LYS H H 1 7.235 0.02 . 1 . . . . . 849 K HN . 50454 2 358 . 1 . 1 195 195 LYS N N 15 118.058 0.1 . 1 . . . . . 849 K N . 50454 2 359 . 1 . 1 197 197 PHE H H 1 8.155 0.02 . 1 . . . . . 851 F HN . 50454 2 360 . 1 . 1 197 197 PHE N N 15 115.846 0.1 . 1 . . . . . 851 F N . 50454 2 361 . 1 . 1 198 198 LYS H H 1 7.343 0.02 . 1 . . . . . 852 K HN . 50454 2 362 . 1 . 1 198 198 LYS N N 15 119.959 0.1 . 1 . . . . . 852 K N . 50454 2 363 . 1 . 1 199 199 GLN H H 1 7.014 0.02 . 1 . . . . . 853 Q HN . 50454 2 364 . 1 . 1 199 199 GLN N N 15 110.738 0.1 . 1 . . . . . 853 Q N . 50454 2 365 . 1 . 1 200 200 LEU H H 1 7.578 0.02 . 1 . . . . . 854 L HN . 50454 2 366 . 1 . 1 200 200 LEU N N 15 124.128 0.1 . 1 . . . . . 854 L N . 50454 2 367 . 1 . 1 201 201 HIS H H 1 7.815 0.02 . 1 . . . . . 855 H HN . 50454 2 368 . 1 . 1 201 201 HIS N N 15 118.373 0.1 . 1 . . . . . 855 H N . 50454 2 369 . 1 . 1 202 202 ASN H H 1 8.677 0.02 . 1 . . . . . 856 N HN . 50454 2 370 . 1 . 1 202 202 ASN N N 15 112.827 0.1 . 1 . . . . . 856 N N . 50454 2 371 . 1 . 1 203 203 ARG H H 1 8.040 0.02 . 1 . . . . . 857 R HN . 50454 2 372 . 1 . 1 203 203 ARG N N 15 118.825 0.1 . 1 . . . . . 857 R N . 50454 2 373 . 1 . 1 204 204 ARG H H 1 8.430 0.02 . 1 . . . . . 858 R HN . 50454 2 374 . 1 . 1 204 204 ARG N N 15 121.837 0.1 . 1 . . . . . 858 R N . 50454 2 375 . 1 . 1 205 205 LEU H H 1 8.125 0.02 . 1 . . . . . 859 L HN . 50454 2 376 . 1 . 1 205 205 LEU N N 15 125.178 0.1 . 1 . . . . . 859 L N . 50454 2 377 . 1 . 1 206 206 LEU H H 1 8.791 0.02 . 1 . . . . . 860 L HN . 50454 2 378 . 1 . 1 206 206 LEU N N 15 126.148 0.1 . 1 . . . . . 860 L N . 50454 2 379 . 1 . 1 207 207 TRP H H 1 8.647 0.02 . 1 . . . . . 861 W HN . 50454 2 380 . 1 . 1 207 207 TRP N N 15 119.500 0.1 . 1 . . . . . 861 W N . 50454 2 381 . 1 . 1 208 208 HIS H H 1 8.994 0.02 . 1 . . . . . 862 H HN . 50454 2 382 . 1 . 1 208 208 HIS N N 15 117.901 0.1 . 1 . . . . . 862 H N . 50454 2 383 . 1 . 1 209 209 GLY H H 1 8.263 0.02 . 1 . . . . . 863 G HN . 50454 2 384 . 1 . 1 209 209 GLY N N 15 115.045 0.1 . 1 . . . . . 863 G N . 50454 2 385 . 1 . 1 210 210 SER H H 1 7.365 0.02 . 1 . . . . . 864 S HN . 50454 2 386 . 1 . 1 210 210 SER N N 15 111.198 0.1 . 1 . . . . . 864 S N . 50454 2 387 . 1 . 1 211 211 ARG H H 1 7.974 0.02 . 1 . . . . . 865 R HN . 50454 2 388 . 1 . 1 211 211 ARG N N 15 121.638 0.1 . 1 . . . . . 865 R N . 50454 2 389 . 1 . 1 212 212 THR H H 1 9.408 0.02 . 1 . . . . . 866 T HN . 50454 2 390 . 1 . 1 212 212 THR N N 15 119.026 0.1 . 1 . . . . . 866 T N . 50454 2 391 . 1 . 1 213 213 THR H H 1 7.419 0.02 . 1 . . . . . 867 T HN . 50454 2 392 . 1 . 1 213 213 THR N N 15 106.878 0.1 . 1 . . . . . 867 T N . 50454 2 393 . 1 . 1 214 214 ASN H H 1 7.993 0.02 . 1 . . . . . 868 N HN . 50454 2 394 . 1 . 1 214 214 ASN N N 15 118.202 0.1 . 1 . . . . . 868 N N . 50454 2 395 . 1 . 1 215 215 PHE H H 1 7.786 0.02 . 1 . . . . . 869 F HN . 50454 2 396 . 1 . 1 215 215 PHE N N 15 118.009 0.1 . 1 . . . . . 869 F N . 50454 2 397 . 1 . 1 216 216 ALA H H 1 9.498 0.02 . 1 . . . . . 870 A HN . 50454 2 398 . 1 . 1 216 216 ALA N N 15 125.687 0.1 . 1 . . . . . 870 A N . 50454 2 399 . 1 . 1 217 217 GLY H H 1 8.932 0.02 . 1 . . . . . 871 G HN . 50454 2 400 . 1 . 1 217 217 GLY N N 15 109.562 0.1 . 1 . . . . . 871 G N . 50454 2 401 . 1 . 1 218 218 ILE H H 1 8.214 0.02 . 1 . . . . . 872 I HN . 50454 2 402 . 1 . 1 218 218 ILE N N 15 121.930 0.1 . 1 . . . . . 872 I N . 50454 2 403 . 1 . 1 219 219 LEU H H 1 8.663 0.02 . 1 . . . . . 873 L HN . 50454 2 404 . 1 . 1 219 219 LEU N N 15 116.486 0.1 . 1 . . . . . 873 L N . 50454 2 405 . 1 . 1 220 220 SER H H 1 7.988 0.02 . 1 . . . . . 874 S HN . 50454 2 406 . 1 . 1 220 220 SER N N 15 112.415 0.1 . 1 . . . . . 874 S N . 50454 2 407 . 1 . 1 221 221 GLN H H 1 8.457 0.02 . 1 . . . . . 875 Q HN . 50454 2 408 . 1 . 1 221 221 GLN N N 15 117.341 0.1 . 1 . . . . . 875 Q N . 50454 2 409 . 1 . 1 222 222 GLY H H 1 7.875 0.02 . 1 . . . . . 876 G HN . 50454 2 410 . 1 . 1 222 222 GLY N N 15 113.998 0.1 . 1 . . . . . 876 G N . 50454 2 411 . 1 . 1 223 223 LEU H H 1 8.717 0.02 . 1 . . . . . 877 L HN . 50454 2 412 . 1 . 1 223 223 LEU N N 15 117.356 0.1 . 1 . . . . . 877 L N . 50454 2 413 . 1 . 1 224 224 ARG H H 1 8.701 0.02 . 1 . . . . . 878 R HN . 50454 2 414 . 1 . 1 224 224 ARG N N 15 124.649 0.1 . 1 . . . . . 878 R N . 50454 2 415 . 1 . 1 225 225 ILE H H 1 7.636 0.02 . 1 . . . . . 879 I HN . 50454 2 416 . 1 . 1 225 225 ILE N N 15 119.372 0.1 . 1 . . . . . 879 I N . 50454 2 417 . 1 . 1 226 226 ALA H H 1 8.363 0.02 . 1 . . . . . 880 A HN . 50454 2 418 . 1 . 1 226 226 ALA N N 15 130.952 0.1 . 1 . . . . . 880 A N . 50454 2 419 . 1 . 1 229 229 GLU H H 1 9.332 0.02 . 1 . . . . . 883 E HN . 50454 2 420 . 1 . 1 229 229 GLU N N 15 113.782 0.1 . 1 . . . . . 883 E N . 50454 2 421 . 1 . 1 230 230 ALA H H 1 7.443 0.02 . 1 . . . . . 884 A HN . 50454 2 422 . 1 . 1 230 230 ALA N N 15 119.683 0.1 . 1 . . . . . 884 A N . 50454 2 423 . 1 . 1 232 232 VAL H H 1 9.090 0.02 . 1 . . . . . 886 V HN . 50454 2 424 . 1 . 1 232 232 VAL N N 15 124.414 0.1 . 1 . . . . . 886 V N . 50454 2 425 . 1 . 1 233 233 THR H H 1 7.397 0.02 . 1 . . . . . 887 T HN . 50454 2 426 . 1 . 1 233 233 THR N N 15 107.343 0.1 . 1 . . . . . 887 T N . 50454 2 427 . 1 . 1 234 234 GLY H H 1 8.054 0.02 . 1 . . . . . 888 G HN . 50454 2 428 . 1 . 1 234 234 GLY N N 15 108.178 0.1 . 1 . . . . . 888 G N . 50454 2 429 . 1 . 1 235 235 TYR H H 1 7.151 0.02 . 1 . . . . . 889 Y HN . 50454 2 430 . 1 . 1 235 235 TYR N N 15 117.072 0.1 . 1 . . . . . 889 Y N . 50454 2 431 . 1 . 1 236 236 MET H H 1 9.356 0.02 . 1 . . . . . 890 M HN . 50454 2 432 . 1 . 1 236 236 MET N N 15 126.071 0.1 . 1 . . . . . 890 M N . 50454 2 433 . 1 . 1 237 237 PHE H H 1 8.743 0.02 . 1 . . . . . 891 F HN . 50454 2 434 . 1 . 1 237 237 PHE N N 15 112.930 0.1 . 1 . . . . . 891 F N . 50454 2 435 . 1 . 1 238 238 GLY H H 1 7.946 0.02 . 1 . . . . . 892 G HN . 50454 2 436 . 1 . 1 238 238 GLY N N 15 104.815 0.1 . 1 . . . . . 892 G N . 50454 2 437 . 1 . 1 239 239 LYS H H 1 9.125 0.02 . 1 . . . . . 893 K HN . 50454 2 438 . 1 . 1 239 239 LYS N N 15 121.335 0.1 . 1 . . . . . 893 K N . 50454 2 439 . 1 . 1 240 240 GLY H H 1 7.095 0.02 . 1 . . . . . 894 G HN . 50454 2 440 . 1 . 1 240 240 GLY N N 15 111.039 0.1 . 1 . . . . . 894 G N . 50454 2 441 . 1 . 1 241 241 ILE H H 1 8.697 0.02 . 1 . . . . . 895 I HN . 50454 2 442 . 1 . 1 241 241 ILE N N 15 121.628 0.1 . 1 . . . . . 895 I N . 50454 2 443 . 1 . 1 242 242 TYR H H 1 8.825 0.02 . 1 . . . . . 896 Y HN . 50454 2 444 . 1 . 1 242 242 TYR N N 15 127.292 0.1 . 1 . . . . . 896 Y N . 50454 2 445 . 1 . 1 243 243 PHE H H 1 9.970 0.02 . 1 . . . . . 897 F HN . 50454 2 446 . 1 . 1 243 243 PHE N N 15 120.806 0.1 . 1 . . . . . 897 F N . 50454 2 447 . 1 . 1 244 244 ALA H H 1 9.181 0.02 . 1 . . . . . 898 A HN . 50454 2 448 . 1 . 1 244 244 ALA N N 15 124.166 0.1 . 1 . . . . . 898 A N . 50454 2 449 . 1 . 1 245 245 ASP H H 1 9.191 0.02 . 1 . . . . . 899 D HN . 50454 2 450 . 1 . 1 245 245 ASP N N 15 116.989 0.1 . 1 . . . . . 899 D N . 50454 2 451 . 1 . 1 246 246 MET H H 1 7.212 0.02 . 1 . . . . . 900 M HN . 50454 2 452 . 1 . 1 246 246 MET N N 15 112.753 0.1 . 1 . . . . . 900 M N . 50454 2 453 . 1 . 1 247 247 VAL H H 1 8.312 0.02 . 1 . . . . . 901 V HN . 50454 2 454 . 1 . 1 247 247 VAL N N 15 126.699 0.1 . 1 . . . . . 901 V N . 50454 2 455 . 1 . 1 248 248 SER H H 1 7.050 0.02 . 1 . . . . . 902 S HN . 50454 2 456 . 1 . 1 248 248 SER N N 15 113.512 0.1 . 1 . . . . . 902 S N . 50454 2 457 . 1 . 1 249 249 LYS H H 1 6.688 0.02 . 1 . . . . . 903 K HN . 50454 2 458 . 1 . 1 249 249 LYS N N 15 119.463 0.1 . 1 . . . . . 903 K N . 50454 2 459 . 1 . 1 250 250 SER H H 1 6.691 0.02 . 1 . . . . . 904 S HN . 50454 2 460 . 1 . 1 250 250 SER N N 15 112.444 0.1 . 1 . . . . . 904 S N . 50454 2 461 . 1 . 1 251 251 ALA H H 1 8.872 0.02 . 1 . . . . . 905 A HN . 50454 2 462 . 1 . 1 251 251 ALA N N 15 122.554 0.1 . 1 . . . . . 905 A N . 50454 2 463 . 1 . 1 252 252 ASN H H 1 7.333 0.02 . 1 . . . . . 906 N HN . 50454 2 464 . 1 . 1 252 252 ASN N N 15 116.559 0.1 . 1 . . . . . 906 N N . 50454 2 465 . 1 . 1 253 253 TYR H H 1 7.657 0.02 . 1 . . . . . 907 Y HN . 50454 2 466 . 1 . 1 253 253 TYR N N 15 116.980 0.1 . 1 . . . . . 907 Y N . 50454 2 467 . 1 . 1 254 254 CYS H H 1 7.467 0.02 . 1 . . . . . 908 C HN . 50454 2 468 . 1 . 1 254 254 CYS N N 15 116.817 0.1 . 1 . . . . . 908 C N . 50454 2 469 . 1 . 1 255 255 HIS H H 1 7.545 0.02 . 1 . . . . . 909 H HN . 50454 2 470 . 1 . 1 255 255 HIS N N 15 113.048 0.1 . 1 . . . . . 909 H N . 50454 2 471 . 1 . 1 256 256 THR H H 1 7.354 0.02 . 1 . . . . . 910 T HN . 50454 2 472 . 1 . 1 256 256 THR N N 15 108.407 0.1 . 1 . . . . . 910 T N . 50454 2 473 . 1 . 1 257 257 SER H H 1 8.055 0.02 . 1 . . . . . 911 S HN . 50454 2 474 . 1 . 1 257 257 SER N N 15 113.594 0.1 . 1 . . . . . 911 S N . 50454 2 475 . 1 . 1 258 258 GLN H H 1 8.372 0.02 . 1 . . . . . 912 Q HN . 50454 2 476 . 1 . 1 258 258 GLN N N 15 119.184 0.1 . 1 . . . . . 912 Q N . 50454 2 477 . 1 . 1 259 259 GLY H H 1 8.087 0.02 . 1 . . . . . 913 G HN . 50454 2 478 . 1 . 1 259 259 GLY N N 15 104.431 0.1 . 1 . . . . . 913 G N . 50454 2 479 . 1 . 1 260 260 ASP H H 1 7.241 0.02 . 1 . . . . . 914 D HN . 50454 2 480 . 1 . 1 260 260 ASP N N 15 119.368 0.1 . 1 . . . . . 914 D N . 50454 2 481 . 1 . 1 262 262 ILE H H 1 7.780 0.02 . 1 . . . . . 916 I HN . 50454 2 482 . 1 . 1 262 262 ILE N N 15 122.003 0.1 . 1 . . . . . 916 I N . 50454 2 483 . 1 . 1 263 263 GLY H H 1 9.096 0.02 . 1 . . . . . 917 G HN . 50454 2 484 . 1 . 1 263 263 GLY N N 15 113.625 0.1 . 1 . . . . . 917 G N . 50454 2 485 . 1 . 1 264 264 LEU H H 1 9.610 0.02 . 1 . . . . . 918 L HN . 50454 2 486 . 1 . 1 264 264 LEU N N 15 121.090 0.1 . 1 . . . . . 918 L N . 50454 2 487 . 1 . 1 265 265 ILE H H 1 8.329 0.02 . 1 . . . . . 919 I HN . 50454 2 488 . 1 . 1 265 265 ILE N N 15 114.906 0.1 . 1 . . . . . 919 I N . 50454 2 489 . 1 . 1 267 267 LEU H H 1 8.854 0.02 . 1 . . . . . 921 L HN . 50454 2 490 . 1 . 1 267 267 LEU N N 15 118.455 0.1 . 1 . . . . . 921 L N . 50454 2 491 . 1 . 1 268 268 GLY H H 1 9.487 0.02 . 1 . . . . . 922 G HN . 50454 2 492 . 1 . 1 268 268 GLY N N 15 109.762 0.1 . 1 . . . . . 922 G N . 50454 2 493 . 1 . 1 269 269 GLU H H 1 8.855 0.02 . 1 . . . . . 923 E HN . 50454 2 494 . 1 . 1 269 269 GLU N N 15 126.061 0.1 . 1 . . . . . 923 E N . 50454 2 495 . 1 . 1 270 270 VAL H H 1 8.783 0.02 . 1 . . . . . 924 V HN . 50454 2 496 . 1 . 1 270 270 VAL N N 15 127.130 0.1 . 1 . . . . . 924 V N . 50454 2 497 . 1 . 1 271 271 ALA H H 1 8.290 0.02 . 1 . . . . . 925 A HN . 50454 2 498 . 1 . 1 271 271 ALA N N 15 130.519 0.1 . 1 . . . . . 925 A N . 50454 2 499 . 1 . 1 272 272 LEU H H 1 7.706 0.02 . 1 . . . . . 926 L HN . 50454 2 500 . 1 . 1 272 272 LEU N N 15 123.385 0.1 . 1 . . . . . 926 L N . 50454 2 501 . 1 . 1 273 273 GLY H H 1 7.335 0.02 . 1 . . . . . 927 G HN . 50454 2 502 . 1 . 1 273 273 GLY N N 15 104.704 0.1 . 1 . . . . . 927 G N . 50454 2 503 . 1 . 1 274 274 ASN H H 1 11.683 0.02 . 1 . . . . . 928 N HN . 50454 2 504 . 1 . 1 274 274 ASN N N 15 128.374 0.1 . 1 . . . . . 928 N N . 50454 2 505 . 1 . 1 275 275 MET H H 1 8.949 0.02 . 1 . . . . . 929 M HN . 50454 2 506 . 1 . 1 275 275 MET N N 15 125.750 0.1 . 1 . . . . . 929 M N . 50454 2 507 . 1 . 1 276 276 TYR H H 1 9.757 0.02 . 1 . . . . . 930 Y HN . 50454 2 508 . 1 . 1 276 276 TYR N N 15 128.553 0.1 . 1 . . . . . 930 Y N . 50454 2 509 . 1 . 1 277 277 GLU H H 1 8.758 0.02 . 1 . . . . . 931 E HN . 50454 2 510 . 1 . 1 277 277 GLU N N 15 128.576 0.1 . 1 . . . . . 931 E N . 50454 2 511 . 1 . 1 278 278 LEU H H 1 8.760 0.02 . 1 . . . . . 932 L HN . 50454 2 512 . 1 . 1 278 278 LEU N N 15 124.604 0.1 . 1 . . . . . 932 L N . 50454 2 513 . 1 . 1 279 279 LYS H H 1 8.602 0.02 . 1 . . . . . 933 K HN . 50454 2 514 . 1 . 1 279 279 LYS N N 15 117.886 0.1 . 1 . . . . . 933 K N . 50454 2 515 . 1 . 1 280 280 HIS H H 1 7.237 0.02 . 1 . . . . . 934 H HN . 50454 2 516 . 1 . 1 280 280 HIS N N 15 112.746 0.1 . 1 . . . . . 934 H N . 50454 2 517 . 1 . 1 281 281 ALA H H 1 8.486 0.02 . 1 . . . . . 935 A HN . 50454 2 518 . 1 . 1 281 281 ALA N N 15 122.209 0.1 . 1 . . . . . 935 A N . 50454 2 519 . 1 . 1 282 282 SER H H 1 6.965 0.02 . 1 . . . . . 936 S HN . 50454 2 520 . 1 . 1 282 282 SER N N 15 115.990 0.1 . 1 . . . . . 936 S N . 50454 2 521 . 1 . 1 284 284 ILE H H 1 7.109 0.02 . 1 . . . . . 938 I HN . 50454 2 522 . 1 . 1 284 284 ILE N N 15 126.526 0.1 . 1 . . . . . 938 I N . 50454 2 523 . 1 . 1 285 285 SER H H 1 8.775 0.02 . 1 . . . . . 939 S HN . 50454 2 524 . 1 . 1 285 285 SER N N 15 119.595 0.1 . 1 . . . . . 939 S N . 50454 2 525 . 1 . 1 286 286 LYS H H 1 7.447 0.02 . 1 . . . . . 940 K HN . 50454 2 526 . 1 . 1 286 286 LYS N N 15 120.890 0.1 . 1 . . . . . 940 K N . 50454 2 527 . 1 . 1 287 287 LEU H H 1 8.545 0.02 . 1 . . . . . 941 L HN . 50454 2 528 . 1 . 1 287 287 LEU N N 15 125.302 0.1 . 1 . . . . . 941 L N . 50454 2 529 . 1 . 1 289 289 LYS H H 1 8.166 0.02 . 1 . . . . . 943 K HN . 50454 2 530 . 1 . 1 289 289 LYS N N 15 121.844 0.1 . 1 . . . . . 943 K N . 50454 2 531 . 1 . 1 290 290 GLY H H 1 8.784 0.02 . 1 . . . . . 944 G HN . 50454 2 532 . 1 . 1 290 290 GLY N N 15 113.526 0.1 . 1 . . . . . 944 G N . 50454 2 533 . 1 . 1 291 291 LYS H H 1 7.472 0.02 . 1 . . . . . 945 K HN . 50454 2 534 . 1 . 1 291 291 LYS N N 15 116.258 0.1 . 1 . . . . . 945 K N . 50454 2 535 . 1 . 1 292 292 HIS H H 1 9.633 0.02 . 1 . . . . . 946 H HN . 50454 2 536 . 1 . 1 292 292 HIS N N 15 117.799 0.1 . 1 . . . . . 946 H N . 50454 2 537 . 1 . 1 293 293 SER H H 1 8.277 0.02 . 1 . . . . . 947 S HN . 50454 2 538 . 1 . 1 293 293 SER N N 15 113.884 0.1 . 1 . . . . . 947 S N . 50454 2 539 . 1 . 1 294 294 VAL H H 1 9.333 0.02 . 1 . . . . . 948 V HN . 50454 2 540 . 1 . 1 294 294 VAL N N 15 120.620 0.1 . 1 . . . . . 948 V N . 50454 2 541 . 1 . 1 295 295 LYS H H 1 8.187 0.02 . 1 . . . . . 949 K HN . 50454 2 542 . 1 . 1 295 295 LYS N N 15 125.754 0.1 . 1 . . . . . 949 K N . 50454 2 543 . 1 . 1 296 296 GLY H H 1 9.478 0.02 . 1 . . . . . 950 G HN . 50454 2 544 . 1 . 1 296 296 GLY N N 15 115.758 0.1 . 1 . . . . . 950 G N . 50454 2 545 . 1 . 1 297 297 LEU H H 1 8.564 0.02 . 1 . . . . . 951 L HN . 50454 2 546 . 1 . 1 297 297 LEU N N 15 125.145 0.1 . 1 . . . . . 951 L N . 50454 2 547 . 1 . 1 298 298 GLY H H 1 9.006 0.02 . 1 . . . . . 952 G HN . 50454 2 548 . 1 . 1 298 298 GLY N N 15 109.540 0.1 . 1 . . . . . 952 G N . 50454 2 549 . 1 . 1 299 299 LYS H H 1 7.833 0.02 . 1 . . . . . 953 K HN . 50454 2 550 . 1 . 1 299 299 LYS N N 15 121.078 0.1 . 1 . . . . . 953 K N . 50454 2 551 . 1 . 1 300 300 THR H H 1 7.699 0.02 . 1 . . . . . 954 T HN . 50454 2 552 . 1 . 1 300 300 THR N N 15 116.652 0.1 . 1 . . . . . 954 T N . 50454 2 553 . 1 . 1 301 301 THR H H 1 9.231 0.02 . 1 . . . . . 955 T HN . 50454 2 554 . 1 . 1 301 301 THR N N 15 121.073 0.1 . 1 . . . . . 955 T N . 50454 2 555 . 1 . 1 303 303 ASP H H 1 8.617 0.02 . 1 . . . . . 957 D HN . 50454 2 556 . 1 . 1 303 303 ASP N N 15 126.306 0.1 . 1 . . . . . 957 D N . 50454 2 557 . 1 . 1 305 305 SER H H 1 8.527 0.02 . 1 . . . . . 959 S HN . 50454 2 558 . 1 . 1 305 305 SER N N 15 115.311 0.1 . 1 . . . . . 959 S N . 50454 2 559 . 1 . 1 306 306 ALA H H 1 7.598 0.02 . 1 . . . . . 960 A HN . 50454 2 560 . 1 . 1 306 306 ALA N N 15 123.617 0.1 . 1 . . . . . 960 A N . 50454 2 561 . 1 . 1 307 307 ASN H H 1 7.148 0.02 . 1 . . . . . 961 N HN . 50454 2 562 . 1 . 1 307 307 ASN N N 15 116.731 0.1 . 1 . . . . . 961 N N . 50454 2 563 . 1 . 1 308 308 ILE H H 1 7.866 0.02 . 1 . . . . . 962 I HN . 50454 2 564 . 1 . 1 308 308 ILE N N 15 116.807 0.1 . 1 . . . . . 962 I N . 50454 2 565 . 1 . 1 309 309 SER H H 1 8.257 0.02 . 1 . . . . . 963 S HN . 50454 2 566 . 1 . 1 309 309 SER N N 15 115.703 0.1 . 1 . . . . . 963 S N . 50454 2 567 . 1 . 1 310 310 LEU H H 1 9.245 0.02 . 1 . . . . . 964 L HN . 50454 2 568 . 1 . 1 310 310 LEU N N 15 128.829 0.1 . 1 . . . . . 964 L N . 50454 2 569 . 1 . 1 311 311 ASP H H 1 9.352 0.02 . 1 . . . . . 965 D HN . 50454 2 570 . 1 . 1 311 311 ASP N N 15 127.949 0.1 . 1 . . . . . 965 D N . 50454 2 571 . 1 . 1 312 312 GLY H H 1 8.094 0.02 . 1 . . . . . 966 G HN . 50454 2 572 . 1 . 1 312 312 GLY N N 15 102.500 0.1 . 1 . . . . . 966 G N . 50454 2 573 . 1 . 1 313 313 VAL H H 1 7.523 0.02 . 1 . . . . . 967 V HN . 50454 2 574 . 1 . 1 313 313 VAL N N 15 121.718 0.1 . 1 . . . . . 967 V N . 50454 2 575 . 1 . 1 314 314 ASP H H 1 8.366 0.02 . 1 . . . . . 968 D HN . 50454 2 576 . 1 . 1 314 314 ASP N N 15 126.709 0.1 . 1 . . . . . 968 D N . 50454 2 577 . 1 . 1 315 315 VAL H H 1 9.125 0.02 . 1 . . . . . 969 V HN . 50454 2 578 . 1 . 1 315 315 VAL N N 15 123.606 0.1 . 1 . . . . . 969 V N . 50454 2 579 . 1 . 1 317 317 LEU H H 1 6.876 0.02 . 1 . . . . . 971 L HN . 50454 2 580 . 1 . 1 317 317 LEU N N 15 111.538 0.1 . 1 . . . . . 971 L N . 50454 2 581 . 1 . 1 318 318 GLY H H 1 8.696 0.02 . 1 . . . . . 972 G HN . 50454 2 582 . 1 . 1 318 318 GLY N N 15 106.381 0.1 . 1 . . . . . 972 G N . 50454 2 583 . 1 . 1 319 319 THR H H 1 7.688 0.02 . 1 . . . . . 973 T HN . 50454 2 584 . 1 . 1 319 319 THR N N 15 108.189 0.1 . 1 . . . . . 973 T N . 50454 2 585 . 1 . 1 320 320 GLY H H 1 8.385 0.02 . 1 . . . . . 974 G HN . 50454 2 586 . 1 . 1 320 320 GLY N N 15 108.515 0.1 . 1 . . . . . 974 G N . 50454 2 587 . 1 . 1 321 321 ILE H H 1 9.352 0.02 . 1 . . . . . 975 I HN . 50454 2 588 . 1 . 1 321 321 ILE N N 15 122.751 0.1 . 1 . . . . . 975 I N . 50454 2 589 . 1 . 1 322 322 SER H H 1 8.502 0.02 . 1 . . . . . 976 S HN . 50454 2 590 . 1 . 1 322 322 SER N N 15 115.053 0.1 . 1 . . . . . 976 S N . 50454 2 591 . 1 . 1 323 323 SER H H 1 8.821 0.02 . 1 . . . . . 977 S HN . 50454 2 592 . 1 . 1 323 323 SER N N 15 122.560 0.1 . 1 . . . . . 977 S N . 50454 2 593 . 1 . 1 324 324 GLY H H 1 8.453 0.02 . 1 . . . . . 978 G HN . 50454 2 594 . 1 . 1 324 324 GLY N N 15 110.546 0.1 . 1 . . . . . 978 G N . 50454 2 595 . 1 . 1 325 325 VAL H H 1 7.723 0.02 . 1 . . . . . 979 V HN . 50454 2 596 . 1 . 1 325 325 VAL N N 15 121.524 0.1 . 1 . . . . . 979 V N . 50454 2 597 . 1 . 1 326 326 ASN H H 1 8.605 0.02 . 1 . . . . . 980 N HN . 50454 2 598 . 1 . 1 326 326 ASN N N 15 124.191 0.1 . 1 . . . . . 980 N N . 50454 2 599 . 1 . 1 327 327 ASP H H 1 8.938 0.02 . 1 . . . . . 981 D HN . 50454 2 600 . 1 . 1 327 327 ASP N N 15 119.409 0.1 . 1 . . . . . 981 D N . 50454 2 601 . 1 . 1 328 328 THR H H 1 6.985 0.02 . 1 . . . . . 982 T HN . 50454 2 602 . 1 . 1 328 328 THR N N 15 109.583 0.1 . 1 . . . . . 982 T N . 50454 2 603 . 1 . 1 329 329 SER H H 1 8.434 0.02 . 1 . . . . . 983 S HN . 50454 2 604 . 1 . 1 329 329 SER N N 15 120.607 0.1 . 1 . . . . . 983 S N . 50454 2 605 . 1 . 1 330 330 LEU H H 1 8.237 0.02 . 1 . . . . . 984 L HN . 50454 2 606 . 1 . 1 330 330 LEU N N 15 125.449 0.1 . 1 . . . . . 984 L N . 50454 2 607 . 1 . 1 331 331 LEU H H 1 8.908 0.02 . 1 . . . . . 985 L HN . 50454 2 608 . 1 . 1 331 331 LEU N N 15 123.876 0.1 . 1 . . . . . 985 L N . 50454 2 609 . 1 . 1 332 332 TYR H H 1 7.227 0.02 . 1 . . . . . 986 Y HN . 50454 2 610 . 1 . 1 332 332 TYR N N 15 113.926 0.1 . 1 . . . . . 986 Y N . 50454 2 611 . 1 . 1 333 333 ASN H H 1 10.483 0.02 . 1 . . . . . 987 N HN . 50454 2 612 . 1 . 1 333 333 ASN N N 15 119.509 0.1 . 1 . . . . . 987 N N . 50454 2 613 . 1 . 1 334 334 GLU H H 1 8.500 0.02 . 1 . . . . . 988 E HN . 50454 2 614 . 1 . 1 334 334 GLU N N 15 119.518 0.1 . 1 . . . . . 988 E N . 50454 2 615 . 1 . 1 335 335 TYR H H 1 8.711 0.02 . 1 . . . . . 989 Y HN . 50454 2 616 . 1 . 1 335 335 TYR N N 15 120.556 0.1 . 1 . . . . . 989 Y N . 50454 2 617 . 1 . 1 336 336 ILE H H 1 9.252 0.02 . 1 . . . . . 990 I HN . 50454 2 618 . 1 . 1 336 336 ILE N N 15 123.393 0.1 . 1 . . . . . 990 I N . 50454 2 619 . 1 . 1 337 337 VAL H H 1 7.720 0.02 . 1 . . . . . 991 V HN . 50454 2 620 . 1 . 1 337 337 VAL N N 15 113.246 0.1 . 1 . . . . . 991 V N . 50454 2 621 . 1 . 1 338 338 TYR H H 1 9.049 0.02 . 1 . . . . . 992 Y HN . 50454 2 622 . 1 . 1 338 338 TYR N N 15 118.227 0.1 . 1 . . . . . 992 Y N . 50454 2 623 . 1 . 1 339 339 ASP H H 1 6.822 0.02 . 1 . . . . . 993 D HN . 50454 2 624 . 1 . 1 339 339 ASP N N 15 119.799 0.1 . 1 . . . . . 993 D N . 50454 2 625 . 1 . 1 340 340 ILE H H 1 8.450 0.02 . 1 . . . . . 994 I HN . 50454 2 626 . 1 . 1 340 340 ILE N N 15 120.704 0.1 . 1 . . . . . 994 I N . 50454 2 627 . 1 . 1 341 341 ALA H H 1 9.189 0.02 . 1 . . . . . 995 A HN . 50454 2 628 . 1 . 1 341 341 ALA N N 15 123.278 0.1 . 1 . . . . . 995 A N . 50454 2 629 . 1 . 1 342 342 GLN H H 1 7.099 0.02 . 1 . . . . . 996 Q HN . 50454 2 630 . 1 . 1 342 342 GLN N N 15 113.042 0.1 . 1 . . . . . 996 Q N . 50454 2 631 . 1 . 1 343 343 VAL H H 1 6.726 0.02 . 1 . . . . . 997 V HN . 50454 2 632 . 1 . 1 343 343 VAL N N 15 115.946 0.1 . 1 . . . . . 997 V N . 50454 2 633 . 1 . 1 344 344 ASN H H 1 8.737 0.02 . 1 . . . . . 998 N HN . 50454 2 634 . 1 . 1 344 344 ASN N N 15 125.152 0.1 . 1 . . . . . 998 N N . 50454 2 635 . 1 . 1 345 345 LEU H H 1 10.255 0.02 . 1 . . . . . 999 L HN . 50454 2 636 . 1 . 1 345 345 LEU N N 15 129.031 0.1 . 1 . . . . . 999 L N . 50454 2 637 . 1 . 1 346 346 LYS H H 1 8.188 0.02 . 1 . . . . . 1000 K HN . 50454 2 638 . 1 . 1 346 346 LYS N N 15 118.251 0.1 . 1 . . . . . 1000 K N . 50454 2 639 . 1 . 1 347 347 TYR H H 1 8.304 0.02 . 1 . . . . . 1001 Y HN . 50454 2 640 . 1 . 1 347 347 TYR N N 15 113.022 0.1 . 1 . . . . . 1001 Y N . 50454 2 641 . 1 . 1 348 348 LEU H H 1 9.433 0.02 . 1 . . . . . 1002 L HN . 50454 2 642 . 1 . 1 348 348 LEU N N 15 123.664 0.1 . 1 . . . . . 1002 L N . 50454 2 643 . 1 . 1 349 349 LEU H H 1 9.782 0.02 . 1 . . . . . 1003 L HN . 50454 2 644 . 1 . 1 349 349 LEU N N 15 127.701 0.1 . 1 . . . . . 1003 L N . 50454 2 645 . 1 . 1 350 350 LYS H H 1 8.660 0.02 . 1 . . . . . 1004 K HN . 50454 2 646 . 1 . 1 350 350 LYS N N 15 121.833 0.1 . 1 . . . . . 1004 K N . 50454 2 647 . 1 . 1 351 351 LEU H H 1 9.376 0.02 . 1 . . . . . 1005 L HN . 50454 2 648 . 1 . 1 351 351 LEU N N 15 128.159 0.1 . 1 . . . . . 1005 L N . 50454 2 649 . 1 . 1 352 352 LYS H H 1 9.158 0.02 . 1 . . . . . 1006 K HN . 50454 2 650 . 1 . 1 352 352 LYS N N 15 122.272 0.1 . 1 . . . . . 1006 K N . 50454 2 651 . 1 . 1 353 353 PHE H H 1 9.257 0.02 . 1 . . . . . 1007 F HN . 50454 2 652 . 1 . 1 353 353 PHE N N 15 127.957 0.1 . 1 . . . . . 1007 F N . 50454 2 653 . 1 . 1 354 354 ASN H H 1 8.701 0.02 . 1 . . . . . 1008 N HN . 50454 2 654 . 1 . 1 354 354 ASN N N 15 122.463 0.1 . 1 . . . . . 1008 N N . 50454 2 655 . 1 . 1 355 355 PHE H H 1 8.682 0.02 . 1 . . . . . 1009 F HN . 50454 2 656 . 1 . 1 355 355 PHE N N 15 124.861 0.1 . 1 . . . . . 1009 F N . 50454 2 657 . 1 . 1 356 356 LYS H H 1 8.453 0.02 . 1 . . . . . 1010 K HN . 50454 2 658 . 1 . 1 356 356 LYS N N 15 122.889 0.1 . 1 . . . . . 1010 K N . 50454 2 659 . 1 . 1 357 357 THR H H 1 8.276 0.02 . 1 . . . . . 1011 T HN . 50454 2 660 . 1 . 1 357 357 THR N N 15 114.627 0.1 . 1 . . . . . 1011 T N . 50454 2 661 . 1 . 1 358 358 SER H H 1 8.249 0.02 . 1 . . . . . 1012 S HN . 50454 2 662 . 1 . 1 358 358 SER N N 15 117.854 0.1 . 1 . . . . . 1012 S N . 50454 2 663 . 1 . 1 359 359 LEU H H 1 8.120 0.02 . 1 . . . . . 1013 L HN . 50454 2 664 . 1 . 1 359 359 LEU N N 15 124.268 0.1 . 1 . . . . . 1013 L N . 50454 2 665 . 1 . 1 360 360 TRP H H 1 7.504 0.02 . 1 . . . . . 1014 W HN . 50454 2 666 . 1 . 1 360 360 TRP N N 15 125.405 0.1 . 1 . . . . . 1014 W N . 50454 2 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 50454 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _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 13 '2D 1H-15N TROSY-based steady-state 15N{1H} NOE measurement' 6 $sample_6 . 50454 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 -0.501 0.005 . . . 657 VAL N . 657 VAL H 50454 1 2 . 1 1 4 4 ASN N N 15 . 1 1 4 4 ASN H H 1 0.012 0.039 . . . 658 ASN N . 658 ASN H 50454 1 3 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.127 0.018 . . . 660 GLY N . 660 GLY H 50454 1 4 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.387 0.005 . . . 661 THR N . 661 THR H 50454 1 5 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.511 0.006 . . . 662 LYS N . 662 LYS H 50454 1 6 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 0.464 0.012 . . . 663 SER N . 663 SER H 50454 1 7 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.558 0.016 . . . 664 LYS N . 664 LYS H 50454 1 8 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.349 0.007 . . . 665 LEU N . 665 LEU H 50454 1 9 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.763 0.024 . . . 669 VAL N . 669 VAL H 50454 1 10 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.800 0.036 . . . 670 GLN N . 670 GLN H 50454 1 11 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 0.895 0.023 . . . 671 ASP N . 671 ASP H 50454 1 12 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.784 0.021 . . . 672 LEU N . 672 LEU H 50454 1 13 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.701 0.033 . . . 673 ILE N . 673 ILE H 50454 1 14 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.764 0.039 . . . 674 LYS N . 674 LYS H 50454 1 15 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.770 0.018 . . . 675 MET N . 675 MET H 50454 1 16 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.784 0.052 . . . 676 ILE N . 676 ILE H 50454 1 17 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.814 0.018 . . . 677 PHE N . 677 PHE H 50454 1 18 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.379 0.011 . . . 678 ASP N . 678 ASP H 50454 1 19 . 1 1 25 25 VAL N N 15 . 1 1 25 25 VAL H H 1 0.743 0.020 . . . 679 VAL N . 679 VAL H 50454 1 20 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.724 0.017 . . . 680 GLU N . 680 GLU H 50454 1 21 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.812 0.021 . . . 681 SER N . 681 SER H 50454 1 22 . 1 1 28 28 MET N N 15 . 1 1 28 28 MET H H 1 0.660 0.025 . . . 682 MET N . 682 MET H 50454 1 23 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.617 0.009 . . . 683 LYS N . 683 LYS H 50454 1 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.775 0.015 . . . 684 LYS N . 684 LYS H 50454 1 25 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.780 0.013 . . . 685 ALA N . 685 ALA H 50454 1 26 . 1 1 32 32 MET N N 15 . 1 1 32 32 MET H H 1 0.865 0.026 . . . 686 MET N . 686 MET H 50454 1 27 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.885 0.023 . . . 687 VAL N . 687 VAL H 50454 1 28 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.784 0.019 . . . 688 GLU N . 688 GLU H 50454 1 29 . 1 1 35 35 TYR N N 15 . 1 1 35 35 TYR H H 1 0.729 0.012 . . . 689 TYR N . 689 TYR H 50454 1 30 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.866 0.039 . . . 690 GLU N . 690 GLU H 50454 1 31 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.797 0.018 . . . 691 ILE N . 691 ILE H 50454 1 32 . 1 1 38 38 ASP N N 15 . 1 1 38 38 ASP H H 1 0.707 0.032 . . . 692 ASP N . 692 ASP H 50454 1 33 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.701 0.022 . . . 693 LEU N . 693 LEU H 50454 1 34 . 1 1 40 40 GLN N N 15 . 1 1 40 40 GLN H H 1 0.709 0.016 . . . 694 GLN N . 694 GLN H 50454 1 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.712 0.023 . . . 695 LYS N . 695 LYS H 50454 1 36 . 1 1 42 42 MET N N 15 . 1 1 42 42 MET H H 1 0.668 0.017 . . . 696 MET N . 696 MET H 50454 1 37 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.716 0.018 . . . 698 LEU N . 698 LEU H 50454 1 38 . 1 1 46 46 LYS N N 15 . 1 1 46 46 LYS H H 1 0.868 0.029 . . . 700 LYS N . 700 LYS H 50454 1 39 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.639 0.030 . . . 701 LEU N . 701 LEU H 50454 1 40 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 0.730 0.022 . . . 702 SER N . 702 SER H 50454 1 41 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.687 0.059 . . . 703 LYS N . 703 LYS H 50454 1 42 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.775 0.035 . . . 704 ARG N . 704 ARG H 50454 1 43 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN H H 1 0.801 0.016 . . . 705 GLN N . 705 GLN H 50454 1 44 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.766 0.026 . . . 706 ILE N . 706 ILE H 50454 1 45 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.796 0.020 . . . 707 GLN N . 707 GLN H 50454 1 46 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.792 0.016 . . . 708 ALA N . 708 ALA H 50454 1 47 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.832 0.016 . . . 709 ALA N . 709 ALA H 50454 1 48 . 1 1 56 56 TYR N N 15 . 1 1 56 56 TYR H H 1 0.933 0.028 . . . 710 TYR N . 710 TYR H 50454 1 49 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.590 0.048 . . . 711 SER N . 711 SER H 50454 1 50 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.758 0.021 . . . 712 ILE N . 712 ILE H 50454 1 51 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.828 0.024 . . . 713 LEU N . 713 LEU H 50454 1 52 . 1 1 60 60 SER N N 15 . 1 1 60 60 SER H H 1 0.783 0.022 . . . 714 SER N . 714 SER H 50454 1 53 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.719 0.015 . . . 715 GLU N . 715 GLU H 50454 1 54 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.771 0.020 . . . 716 VAL N . 716 VAL H 50454 1 55 . 1 1 63 63 GLN N N 15 . 1 1 63 63 GLN H H 1 0.801 0.021 . . . 717 GLN N . 717 GLN H 50454 1 56 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.771 0.016 . . . 718 GLN N . 718 GLN H 50454 1 57 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.793 0.016 . . . 719 ALA N . 719 ALA H 50454 1 58 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.720 0.015 . . . 720 VAL N . 720 VAL H 50454 1 59 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.710 0.013 . . . 721 SER N . 721 SER H 50454 1 60 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.679 0.025 . . . 722 GLN N . 722 GLN H 50454 1 61 . 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 50454 1 62 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.370 0.003 . . . 724 SER N . 724 SER H 50454 1 63 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.358 0.007 . . . 725 SER N . 725 SER H 50454 1 64 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.633 0.013 . . . 726 ASP N . 726 ASP H 50454 1 65 . 1 1 73 73 SER N N 15 . 1 1 73 73 SER H H 1 0.753 0.013 . . . 727 SER N . 727 SER H 50454 1 66 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.682 0.010 . . . 728 GLN N . 728 GLN H 50454 1 67 . 1 1 75 75 ILE N N 15 . 1 1 75 75 ILE H H 1 0.662 0.015 . . . 729 ILE N . 729 ILE H 50454 1 68 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.696 0.016 . . . 730 LEU N . 730 LEU H 50454 1 69 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.756 0.010 . . . 731 ASP N . 731 ASP H 50454 1 70 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.581 0.038 . . . 732 LEU N . 732 LEU H 50454 1 71 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.695 0.020 . . . 733 SER N . 733 SER H 50454 1 72 . 1 1 80 80 ASN N N 15 . 1 1 80 80 ASN H H 1 0.773 0.017 . . . 734 ASN N . 734 ASN H 50454 1 73 . 1 1 81 81 ARG N N 15 . 1 1 81 81 ARG H H 1 0.801 0.025 . . . 735 ARG N . 735 ARG H 50454 1 74 . 1 1 82 82 PHE N N 15 . 1 1 82 82 PHE H H 1 0.801 0.021 . . . 736 PHE N . 736 PHE H 50454 1 75 . 1 1 83 83 TYR N N 15 . 1 1 83 83 TYR H H 1 0.806 0.022 . . . 737 TYR N . 737 TYR H 50454 1 76 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 0.767 0.017 . . . 738 THR N . 738 THR H 50454 1 77 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.729 0.017 . . . 739 LEU N . 739 LEU H 50454 1 78 . 1 1 86 86 ILE N N 15 . 1 1 86 86 ILE H H 1 0.757 0.015 . . . 740 ILE N . 740 ILE H 50454 1 79 . 1 1 88 88 HIS N N 15 . 1 1 88 88 HIS H H 1 0.649 0.031 . . . 742 HIS N . 742 HIS H 50454 1 80 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.757 0.024 . . . 743 ASP N . 743 ASP H 50454 1 81 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.220 0.011 . . . 744 PHE N . 744 PHE H 50454 1 82 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.428 0.007 . . . 745 GLY N . 745 GLY H 50454 1 83 . 1 1 92 92 MET N N 15 . 1 1 92 92 MET H H 1 0.433 0.091 . . . 746 MET N . 746 MET H 50454 1 84 . 1 1 93 93 LYS N N 15 . 1 1 93 93 LYS H H 1 0.296 0.008 . . . 747 LYS N . 747 LYS H 50454 1 85 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.210 0.007 . . . 748 LYS N . 748 LYS H 50454 1 86 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.514 0.011 . . . 751 LEU N . 751 LEU H 50454 1 87 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.718 0.034 . . . 752 LEU N . 752 LEU H 50454 1 88 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 0.567 0.010 . . . 753 ASN N . 753 ASN H 50454 1 89 . 1 1 100 100 ASN N N 15 . 1 1 100 100 ASN H H 1 0.544 0.009 . . . 754 ASN N . 754 ASN H 50454 1 90 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.690 0.055 . . . 755 ALA N . 755 ALA H 50454 1 91 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.641 0.011 . . . 756 ASP N . 756 ASP H 50454 1 92 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.777 0.013 . . . 757 SER N . 757 SER H 50454 1 93 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.759 0.017 . . . 758 VAL N . 758 VAL H 50454 1 94 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.785 0.020 . . . 759 GLN N . 759 GLN H 50454 1 95 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.755 0.018 . . . 760 ALA N . 760 ALA H 50454 1 96 . 1 1 107 107 LYS N N 15 . 1 1 107 107 LYS H H 1 0.856 0.027 . . . 761 LYS N . 761 LYS H 50454 1 97 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.829 0.036 . . . 762 ALA N . 762 ALA H 50454 1 98 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 0.693 0.020 . . . 763 GLU N . 763 GLU H 50454 1 99 . 1 1 110 110 MET N N 15 . 1 1 110 110 MET H H 1 0.870 0.035 . . . 764 MET N . 764 MET H 50454 1 100 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 0.822 0.038 . . . 765 LEU N . 765 LEU H 50454 1 101 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.876 0.028 . . . 766 ASP N . 766 ASP H 50454 1 102 . 1 1 113 113 ASN N N 15 . 1 1 113 113 ASN H H 1 0.733 0.023 . . . 767 ASN N . 767 ASN H 50454 1 103 . 1 1 114 114 LEU N N 15 . 1 1 114 114 LEU H H 1 0.848 0.030 . . . 768 LEU N . 768 LEU H 50454 1 104 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.820 0.019 . . . 769 LEU N . 769 LEU H 50454 1 105 . 1 1 116 116 ASP N N 15 . 1 1 116 116 ASP H H 1 0.808 0.021 . . . 770 ASP N . 770 ASP H 50454 1 106 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 0.803 0.035 . . . 771 ILE N . 771 ILE H 50454 1 107 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.883 0.029 . . . 772 GLU N . 772 GLU H 50454 1 108 . 1 1 119 119 VAL N N 15 . 1 1 119 119 VAL H H 1 0.862 0.029 . . . 773 VAL N . 773 VAL H 50454 1 109 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.826 0.021 . . . 774 ALA N . 774 ALA H 50454 1 110 . 1 1 121 121 TYR N N 15 . 1 1 121 121 TYR H H 1 0.845 0.028 . . . 775 TYR N . 775 TYR H 50454 1 111 . 1 1 122 122 SER N N 15 . 1 1 122 122 SER H H 1 0.829 0.029 . . . 776 SER N . 776 SER H 50454 1 112 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.756 0.024 . . . 777 LEU N . 777 LEU H 50454 1 113 . 1 1 124 124 LEU N N 15 . 1 1 124 124 LEU H H 1 0.760 0.018 . . . 778 LEU N . 778 LEU H 50454 1 114 . 1 1 125 125 ARG N N 15 . 1 1 125 125 ARG H H 1 0.654 0.011 . . . 779 ARG N . 779 ARG H 50454 1 115 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.536 0.009 . . . 780 GLY N . 780 GLY H 50454 1 116 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.416 0.008 . . . 781 GLY N . 781 GLY H 50454 1 117 . 1 1 128 128 SER N N 15 . 1 1 128 128 SER H H 1 0.225 0.012 . . . 782 SER N . 782 SER H 50454 1 118 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.400 0.010 . . . 783 ASP N . 783 ASP H 50454 1 119 . 1 1 130 130 ASP N N 15 . 1 1 130 130 ASP H H 1 0.225 0.004 . . . 784 ASP N . 784 ASP H 50454 1 120 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.540 0.061 . . . 785 SER N . 785 SER H 50454 1 121 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.475 0.013 . . . 786 SER N . 786 SER H 50454 1 122 . 1 1 133 133 LYS N N 15 . 1 1 133 133 LYS H H 1 0.405 0.006 . . . 787 LYS N . 787 LYS H 50454 1 123 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.579 0.016 . . . 788 ASP N . 788 ASP H 50454 1 124 . 1 1 136 136 ILE N N 15 . 1 1 136 136 ILE H H 1 0.610 0.016 . . . 790 ILE N . 790 ILE H 50454 1 125 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.710 0.023 . . . 791 ASP N . 791 ASP H 50454 1 126 . 1 1 138 138 VAL N N 15 . 1 1 138 138 VAL H H 1 0.781 0.024 . . . 792 VAL N . 792 VAL H 50454 1 127 . 1 1 139 139 ASN N N 15 . 1 1 139 139 ASN H H 1 0.764 0.015 . . . 793 ASN N . 793 ASN H 50454 1 128 . 1 1 140 140 TYR N N 15 . 1 1 140 140 TYR H H 1 0.870 0.024 . . . 794 TYR N . 794 TYR H 50454 1 129 . 1 1 141 141 GLU N N 15 . 1 1 141 141 GLU H H 1 0.788 0.011 . . . 795 GLU N . 795 GLU H 50454 1 130 . 1 1 142 142 LYS N N 15 . 1 1 142 142 LYS H H 1 0.858 0.027 . . . 796 LYS N . 796 LYS H 50454 1 131 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.695 0.021 . . . 797 LEU N . 797 LEU H 50454 1 132 . 1 1 144 144 LYS N N 15 . 1 1 144 144 LYS H H 1 0.762 0.018 . . . 798 LYS N . 798 LYS H 50454 1 133 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 0.844 0.016 . . . 799 THR N . 799 THR H 50454 1 134 . 1 1 146 146 ASP N N 15 . 1 1 146 146 ASP H H 1 0.813 0.027 . . . 800 ASP N . 800 ASP H 50454 1 135 . 1 1 147 147 ILE N N 15 . 1 1 147 147 ILE H H 1 0.869 0.025 . . . 801 ILE N . 801 ILE H 50454 1 136 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 0.737 0.021 . . . 802 LYS N . 802 LYS H 50454 1 137 . 1 1 149 149 VAL N N 15 . 1 1 149 149 VAL H H 1 0.789 0.016 . . . 803 VAL N . 803 VAL H 50454 1 138 . 1 1 150 150 VAL N N 15 . 1 1 150 150 VAL H H 1 0.713 0.026 . . . 804 VAL N . 804 VAL H 50454 1 139 . 1 1 151 151 ASP N N 15 . 1 1 151 151 ASP H H 1 0.743 0.016 . . . 805 ASP N . 805 ASP H 50454 1 140 . 1 1 152 152 ARG N N 15 . 1 1 152 152 ARG H H 1 0.732 0.021 . . . 806 ARG N . 806 ARG H 50454 1 141 . 1 1 153 153 ASP N N 15 . 1 1 153 153 ASP H H 1 0.664 0.009 . . . 807 ASP N . 807 ASP H 50454 1 142 . 1 1 154 154 SER N N 15 . 1 1 154 154 SER H H 1 0.228 0.009 . . . 808 SER N . 808 SER H 50454 1 143 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.702 0.018 . . . 809 GLU N . 809 GLU H 50454 1 144 . 1 1 156 156 GLU N N 15 . 1 1 156 156 GLU H H 1 0.737 0.016 . . . 810 GLU N . 810 GLU H 50454 1 145 . 1 1 157 157 ALA N N 15 . 1 1 157 157 ALA H H 1 0.752 0.009 . . . 811 ALA N . 811 ALA H 50454 1 146 . 1 1 158 158 GLU N N 15 . 1 1 158 158 GLU H H 1 0.707 0.032 . . . 812 GLU N . 812 GLU H 50454 1 147 . 1 1 159 159 ILE N N 15 . 1 1 159 159 ILE H H 1 0.818 0.023 . . . 813 ILE N . 813 ILE H 50454 1 148 . 1 1 160 160 ILE N N 15 . 1 1 160 160 ILE H H 1 0.825 0.033 . . . 814 ILE N . 814 ILE H 50454 1 149 . 1 1 161 161 ARG N N 15 . 1 1 161 161 ARG H H 1 0.826 0.019 . . . 815 ARG N . 815 ARG H 50454 1 150 . 1 1 162 162 LYS N N 15 . 1 1 162 162 LYS H H 1 0.854 0.027 . . . 816 LYS N . 816 LYS H 50454 1 151 . 1 1 163 163 TYR N N 15 . 1 1 163 163 TYR H H 1 0.749 0.020 . . . 817 TYR N . 817 TYR H 50454 1 152 . 1 1 164 164 VAL N N 15 . 1 1 164 164 VAL H H 1 0.800 0.026 . . . 818 VAL N . 818 VAL H 50454 1 153 . 1 1 165 165 LYS N N 15 . 1 1 165 165 LYS H H 1 0.830 0.078 . . . 819 LYS N . 819 LYS H 50454 1 154 . 1 1 166 166 ASN N N 15 . 1 1 166 166 ASN H H 1 0.769 0.047 . . . 820 ASN N . 820 ASN H 50454 1 155 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 0.669 0.055 . . . 821 THR N . 821 THR H 50454 1 156 . 1 1 168 168 HIS N N 15 . 1 1 168 168 HIS H H 1 0.789 0.131 . . . 822 HIS N . 822 HIS H 50454 1 157 . 1 1 174 174 ALA N N 15 . 1 1 174 174 ALA H H 1 0.486 0.041 . . . 828 ALA N . 828 ALA H 50454 1 158 . 1 1 175 175 TYR N N 15 . 1 1 175 175 TYR H H 1 0.473 0.016 . . . 829 TYR N . 829 TYR H 50454 1 159 . 1 1 176 176 ASP N N 15 . 1 1 176 176 ASP H H 1 0.738 0.048 . . . 830 ASP N . 830 ASP H 50454 1 160 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.861 0.026 . . . 832 GLU N . 832 GLU H 50454 1 161 . 1 1 179 179 VAL N N 15 . 1 1 179 179 VAL H H 1 0.677 0.019 . . . 833 VAL N . 833 VAL H 50454 1 162 . 1 1 180 180 ILE N N 15 . 1 1 180 180 ILE H H 1 0.861 0.036 . . . 834 ILE N . 834 ILE H 50454 1 163 . 1 1 181 181 ASP N N 15 . 1 1 181 181 ASP H H 1 0.708 0.023 . . . 835 ASP N . 835 ASP H 50454 1 164 . 1 1 182 182 ILE N N 15 . 1 1 182 182 ILE H H 1 0.511 0.029 . . . 836 ILE N . 836 ILE H 50454 1 165 . 1 1 183 183 PHE N N 15 . 1 1 183 183 PHE H H 1 0.782 0.061 . . . 837 PHE N . 837 PHE H 50454 1 166 . 1 1 184 184 LYS N N 15 . 1 1 184 184 LYS H H 1 0.821 0.023 . . . 838 LYS N . 838 LYS H 50454 1 167 . 1 1 185 185 ILE N N 15 . 1 1 185 185 ILE H H 1 0.879 0.035 . . . 839 ILE N . 839 ILE H 50454 1 168 . 1 1 186 186 GLU N N 15 . 1 1 186 186 GLU H H 1 0.841 0.033 . . . 840 GLU N . 840 GLU H 50454 1 169 . 1 1 187 187 ARG N N 15 . 1 1 187 187 ARG H H 1 0.693 0.055 . . . 841 ARG N . 841 ARG H 50454 1 170 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.882 0.027 . . . 842 GLU N . 842 GLU H 50454 1 171 . 1 1 189 189 GLY N N 15 . 1 1 189 189 GLY H H 1 0.696 0.036 . . . 843 GLY N . 843 GLY H 50454 1 172 . 1 1 190 190 GLU N N 15 . 1 1 190 190 GLU H H 1 0.803 0.017 . . . 844 GLU N . 844 GLU H 50454 1 173 . 1 1 191 191 CYS N N 15 . 1 1 191 191 CYS H H 1 0.725 0.019 . . . 845 CYS N . 845 CYS H 50454 1 174 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 0.811 0.018 . . . 846 GLN N . 846 GLN H 50454 1 175 . 1 1 193 193 ARG N N 15 . 1 1 193 193 ARG H H 1 0.812 0.021 . . . 847 ARG N . 847 ARG H 50454 1 176 . 1 1 194 194 TYR N N 15 . 1 1 194 194 TYR H H 1 0.806 0.020 . . . 848 TYR N . 848 TYR H 50454 1 177 . 1 1 195 195 LYS N N 15 . 1 1 195 195 LYS H H 1 0.765 0.022 . . . 849 LYS N . 849 LYS H 50454 1 178 . 1 1 197 197 PHE N N 15 . 1 1 197 197 PHE H H 1 0.748 0.022 . . . 851 PHE N . 851 PHE H 50454 1 179 . 1 1 198 198 LYS N N 15 . 1 1 198 198 LYS H H 1 0.679 0.018 . . . 852 LYS N . 852 LYS H 50454 1 180 . 1 1 199 199 GLN N N 15 . 1 1 199 199 GLN H H 1 0.438 0.012 . . . 853 GLN N . 853 GLN H 50454 1 181 . 1 1 200 200 LEU N N 15 . 1 1 200 200 LEU H H 1 0.647 0.016 . . . 854 LEU N . 854 LEU H 50454 1 182 . 1 1 201 201 HIS N N 15 . 1 1 201 201 HIS H H 1 0.742 0.015 . . . 855 HIS N . 855 HIS H 50454 1 183 . 1 1 202 202 ASN N N 15 . 1 1 202 202 ASN H H 1 0.810 0.020 . . . 856 ASN N . 856 ASN H 50454 1 184 . 1 1 203 203 ARG N N 15 . 1 1 203 203 ARG H H 1 0.705 0.019 . . . 857 ARG N . 857 ARG H 50454 1 185 . 1 1 204 204 ARG N N 15 . 1 1 204 204 ARG H H 1 0.743 0.019 . . . 858 ARG N . 858 ARG H 50454 1 186 . 1 1 205 205 LEU N N 15 . 1 1 205 205 LEU H H 1 0.766 0.035 . . . 859 LEU N . 859 LEU H 50454 1 187 . 1 1 206 206 LEU N N 15 . 1 1 206 206 LEU H H 1 0.625 0.045 . . . 860 LEU N . 860 LEU H 50454 1 188 . 1 1 207 207 TRP N N 15 . 1 1 207 207 TRP H H 1 0.783 0.013 . . . 861 TRP N . 861 TRP H 50454 1 189 . 1 1 208 208 HIS N N 15 . 1 1 208 208 HIS H H 1 0.451 0.078 . . . 862 HIS N . 862 HIS H 50454 1 190 . 1 1 209 209 GLY N N 15 . 1 1 209 209 GLY H H 1 0.868 0.062 . . . 863 GLY N . 863 GLY H 50454 1 191 . 1 1 211 211 ARG N N 15 . 1 1 211 211 ARG H H 1 0.679 0.034 . . . 865 ARG N . 865 ARG H 50454 1 192 . 1 1 212 212 THR N N 15 . 1 1 212 212 THR H H 1 0.778 0.032 . . . 866 THR N . 866 THR H 50454 1 193 . 1 1 213 213 THR N N 15 . 1 1 213 213 THR H H 1 0.804 0.020 . . . 867 THR N . 867 THR H 50454 1 194 . 1 1 214 214 ASN N N 15 . 1 1 214 214 ASN H H 1 0.795 0.041 . . . 868 ASN N . 868 ASN H 50454 1 195 . 1 1 215 215 PHE N N 15 . 1 1 215 215 PHE H H 1 0.852 0.052 . . . 869 PHE N . 869 PHE H 50454 1 196 . 1 1 216 216 ALA N N 15 . 1 1 216 216 ALA H H 1 0.832 0.028 . . . 870 ALA N . 870 ALA H 50454 1 197 . 1 1 217 217 GLY N N 15 . 1 1 217 217 GLY H H 1 0.791 0.033 . . . 871 GLY N . 871 GLY H 50454 1 198 . 1 1 218 218 ILE N N 15 . 1 1 218 218 ILE H H 1 0.587 0.012 . . . 872 ILE N . 872 ILE H 50454 1 199 . 1 1 219 219 LEU N N 15 . 1 1 219 219 LEU H H 1 1.006 0.043 . . . 873 LEU N . 873 LEU H 50454 1 200 . 1 1 220 220 SER N N 15 . 1 1 220 220 SER H H 1 1.085 0.044 . . . 874 SER N . 874 SER H 50454 1 201 . 1 1 221 221 GLN N N 15 . 1 1 221 221 GLN H H 1 0.874 0.029 . . . 875 GLN N . 875 GLN H 50454 1 202 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.801 0.028 . . . 876 GLY N . 876 GLY H 50454 1 203 . 1 1 223 223 LEU N N 15 . 1 1 223 223 LEU H H 1 0.471 0.017 . . . 877 LEU N . 877 LEU H 50454 1 204 . 1 1 224 224 ARG N N 15 . 1 1 224 224 ARG H H 1 0.264 0.046 . . . 878 ARG N . 878 ARG H 50454 1 205 . 1 1 225 225 ILE N N 15 . 1 1 225 225 ILE H H 1 0.617 0.048 . . . 879 ILE N . 879 ILE H 50454 1 206 . 1 1 226 226 ALA N N 15 . 1 1 226 226 ALA H H 1 0.749 0.020 . . . 880 ALA N . 880 ALA H 50454 1 207 . 1 1 229 229 GLU N N 15 . 1 1 229 229 GLU H H 1 0.781 0.021 . . . 883 GLU N . 883 GLU H 50454 1 208 . 1 1 230 230 ALA N N 15 . 1 1 230 230 ALA H H 1 0.691 0.023 . . . 884 ALA N . 884 ALA H 50454 1 209 . 1 1 232 232 VAL N N 15 . 1 1 232 232 VAL H H 1 0.647 0.091 . . . 886 VAL N . 886 VAL H 50454 1 210 . 1 1 233 233 THR N N 15 . 1 1 233 233 THR H H 1 0.738 0.123 . . . 887 THR N . 887 THR H 50454 1 211 . 1 1 234 234 GLY N N 15 . 1 1 234 234 GLY H H 1 0.770 0.032 . . . 888 GLY N . 888 GLY H 50454 1 212 . 1 1 235 235 TYR N N 15 . 1 1 235 235 TYR H H 1 0.583 0.022 . . . 889 TYR N . 889 TYR H 50454 1 213 . 1 1 236 236 MET N N 15 . 1 1 236 236 MET H H 1 0.340 0.180 . . . 890 MET N . 890 MET H 50454 1 214 . 1 1 237 237 PHE N N 15 . 1 1 237 237 PHE H H 1 0.498 0.059 . . . 891 PHE N . 891 PHE H 50454 1 215 . 1 1 238 238 GLY N N 15 . 1 1 238 238 GLY H H 1 0.718 0.059 . . . 892 GLY N . 892 GLY H 50454 1 216 . 1 1 239 239 LYS N N 15 . 1 1 239 239 LYS H H 1 0.483 0.074 . . . 893 LYS N . 893 LYS H 50454 1 217 . 1 1 240 240 GLY N N 15 . 1 1 240 240 GLY H H 1 0.836 0.035 . . . 894 GLY N . 894 GLY H 50454 1 218 . 1 1 241 241 ILE N N 15 . 1 1 241 241 ILE H H 1 1.073 0.071 . . . 895 ILE N . 895 ILE H 50454 1 219 . 1 1 242 242 TYR N N 15 . 1 1 242 242 TYR H H 1 0.261 0.114 . . . 896 TYR N . 896 TYR H 50454 1 220 . 1 1 243 243 PHE N N 15 . 1 1 243 243 PHE H H 1 0.833 0.307 . . . 897 PHE N . 897 PHE H 50454 1 221 . 1 1 244 244 ALA N N 15 . 1 1 244 244 ALA H H 1 0.683 0.124 . . . 898 ALA N . 898 ALA H 50454 1 222 . 1 1 245 245 ASP N N 15 . 1 1 245 245 ASP H H 1 0.587 0.140 . . . 899 ASP N . 899 ASP H 50454 1 223 . 1 1 246 246 MET N N 15 . 1 1 246 246 MET H H 1 0.589 0.020 . . . 900 MET N . 900 MET H 50454 1 224 . 1 1 247 247 VAL N N 15 . 1 1 247 247 VAL H H 1 0.790 0.053 . . . 901 VAL N . 901 VAL H 50454 1 225 . 1 1 248 248 SER N N 15 . 1 1 248 248 SER H H 1 0.420 0.090 . . . 902 SER N . 902 SER H 50454 1 226 . 1 1 250 250 SER N N 15 . 1 1 250 250 SER H H 1 0.667 0.190 . . . 904 SER N . 904 SER H 50454 1 227 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.670 0.022 . . . 905 ALA N . 905 ALA H 50454 1 228 . 1 1 252 252 ASN N N 15 . 1 1 252 252 ASN H H 1 0.745 0.093 . . . 906 ASN N . 906 ASN H 50454 1 229 . 1 1 253 253 TYR N N 15 . 1 1 253 253 TYR H H 1 0.849 0.054 . . . 907 TYR N . 907 TYR H 50454 1 230 . 1 1 254 254 CYS N N 15 . 1 1 254 254 CYS H H 1 1.096 0.118 . . . 908 CYS N . 908 CYS H 50454 1 231 . 1 1 255 255 HIS N N 15 . 1 1 255 255 HIS H H 1 0.610 0.037 . . . 909 HIS N . 909 HIS H 50454 1 232 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 0.765 0.028 . . . 910 THR N . 910 THR H 50454 1 233 . 1 1 257 257 SER N N 15 . 1 1 257 257 SER H H 1 0.655 0.016 . . . 911 SER N . 911 SER H 50454 1 234 . 1 1 258 258 GLN N N 15 . 1 1 258 258 GLN H H 1 0.697 0.023 . . . 912 GLN N . 912 GLN H 50454 1 235 . 1 1 259 259 GLY N N 15 . 1 1 259 259 GLY H H 1 0.775 0.046 . . . 913 GLY N . 913 GLY H 50454 1 236 . 1 1 260 260 ASP N N 15 . 1 1 260 260 ASP H H 1 0.582 0.009 . . . 914 ASP N . 914 ASP H 50454 1 237 . 1 1 262 262 ILE N N 15 . 1 1 262 262 ILE H H 1 0.687 0.010 . . . 916 ILE N . 916 ILE H 50454 1 238 . 1 1 263 263 GLY N N 15 . 1 1 263 263 GLY H H 1 0.640 0.032 . . . 917 GLY N . 917 GLY H 50454 1 239 . 1 1 264 264 LEU N N 15 . 1 1 264 264 LEU H H 1 0.766 0.054 . . . 918 LEU N . 918 LEU H 50454 1 240 . 1 1 265 265 ILE N N 15 . 1 1 265 265 ILE H H 1 0.761 0.057 . . . 919 ILE N . 919 ILE H 50454 1 241 . 1 1 267 267 LEU N N 15 . 1 1 267 267 LEU H H 1 0.753 0.022 . . . 921 LEU N . 921 LEU H 50454 1 242 . 1 1 268 268 GLY N N 15 . 1 1 268 268 GLY H H 1 0.755 0.054 . . . 922 GLY N . 922 GLY H 50454 1 243 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.822 0.034 . . . 923 GLU N . 923 GLU H 50454 1 244 . 1 1 270 270 VAL N N 15 . 1 1 270 270 VAL H H 1 0.748 0.028 . . . 924 VAL N . 924 VAL H 50454 1 245 . 1 1 271 271 ALA N N 15 . 1 1 271 271 ALA H H 1 0.860 0.029 . . . 925 ALA N . 925 ALA H 50454 1 246 . 1 1 272 272 LEU N N 15 . 1 1 272 272 LEU H H 1 0.748 0.036 . . . 926 LEU N . 926 LEU H 50454 1 247 . 1 1 273 273 GLY N N 15 . 1 1 273 273 GLY H H 1 0.910 0.031 . . . 927 GLY N . 927 GLY H 50454 1 248 . 1 1 274 274 ASN N N 15 . 1 1 274 274 ASN H H 1 0.714 0.046 . . . 928 ASN N . 928 ASN H 50454 1 249 . 1 1 275 275 MET N N 15 . 1 1 275 275 MET H H 1 0.778 0.026 . . . 929 MET N . 929 MET H 50454 1 250 . 1 1 276 276 TYR N N 15 . 1 1 276 276 TYR H H 1 0.892 0.053 . . . 930 TYR N . 930 TYR H 50454 1 251 . 1 1 277 277 GLU N N 15 . 1 1 277 277 GLU H H 1 0.806 0.023 . . . 931 GLU N . 931 GLU H 50454 1 252 . 1 1 279 279 LYS N N 15 . 1 1 279 279 LYS H H 1 0.838 0.078 . . . 933 LYS N . 933 LYS H 50454 1 253 . 1 1 280 280 HIS N N 15 . 1 1 280 280 HIS H H 1 0.567 0.021 . . . 934 HIS N . 934 HIS H 50454 1 254 . 1 1 281 281 ALA N N 15 . 1 1 281 281 ALA H H 1 0.714 0.043 . . . 935 ALA N . 935 ALA H 50454 1 255 . 1 1 282 282 SER N N 15 . 1 1 282 282 SER H H 1 0.457 0.070 . . . 936 SER N . 936 SER H 50454 1 256 . 1 1 284 284 ILE N N 15 . 1 1 284 284 ILE H H 1 0.709 0.022 . . . 938 ILE N . 938 ILE H 50454 1 257 . 1 1 285 285 SER N N 15 . 1 1 285 285 SER H H 1 0.538 0.070 . . . 939 SER N . 939 SER H 50454 1 258 . 1 1 286 286 LYS N N 15 . 1 1 286 286 LYS H H 1 0.349 0.057 . . . 940 LYS N . 940 LYS H 50454 1 259 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.442 0.016 . . . 941 LEU N . 941 LEU H 50454 1 260 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 0.844 0.018 . . . 943 LYS N . 943 LYS H 50454 1 261 . 1 1 290 290 GLY N N 15 . 1 1 290 290 GLY H H 1 0.274 0.246 . . . 944 GLY N . 944 GLY H 50454 1 262 . 1 1 291 291 LYS N N 15 . 1 1 291 291 LYS H H 1 0.716 0.012 . . . 945 LYS N . 945 LYS H 50454 1 263 . 1 1 292 292 HIS N N 15 . 1 1 292 292 HIS H H 1 0.798 0.045 . . . 946 HIS N . 946 HIS H 50454 1 264 . 1 1 293 293 SER N N 15 . 1 1 293 293 SER H H 1 0.979 0.028 . . . 947 SER N . 947 SER H 50454 1 265 . 1 1 294 294 VAL N N 15 . 1 1 294 294 VAL H H 1 0.963 0.056 . . . 948 VAL N . 948 VAL H 50454 1 266 . 1 1 295 295 LYS N N 15 . 1 1 295 295 LYS H H 1 0.832 0.052 . . . 949 LYS N . 949 LYS H 50454 1 267 . 1 1 296 296 GLY N N 15 . 1 1 296 296 GLY H H 1 0.801 0.069 . . . 950 GLY N . 950 GLY H 50454 1 268 . 1 1 297 297 LEU N N 15 . 1 1 297 297 LEU H H 1 0.755 0.015 . . . 951 LEU N . 951 LEU H 50454 1 269 . 1 1 298 298 GLY N N 15 . 1 1 298 298 GLY H H 1 1.000 0.092 . . . 952 GLY N . 952 GLY H 50454 1 270 . 1 1 299 299 LYS N N 15 . 1 1 299 299 LYS H H 1 0.760 0.034 . . . 953 LYS N . 953 LYS H 50454 1 271 . 1 1 300 300 THR N N 15 . 1 1 300 300 THR H H 1 0.890 0.021 . . . 954 THR N . 954 THR H 50454 1 272 . 1 1 301 301 THR N N 15 . 1 1 301 301 THR H H 1 0.949 0.030 . . . 955 THR N . 955 THR H 50454 1 273 . 1 1 303 303 ASP N N 15 . 1 1 303 303 ASP H H 1 0.622 0.039 . . . 957 ASP N . 957 ASP H 50454 1 274 . 1 1 305 305 SER N N 15 . 1 1 305 305 SER H H 1 0.810 0.022 . . . 959 SER N . 959 SER H 50454 1 275 . 1 1 306 306 ALA N N 15 . 1 1 306 306 ALA H H 1 0.786 0.017 . . . 960 ALA N . 960 ALA H 50454 1 276 . 1 1 307 307 ASN N N 15 . 1 1 307 307 ASN H H 1 0.618 0.009 . . . 961 ASN N . 961 ASN H 50454 1 277 . 1 1 308 308 ILE N N 15 . 1 1 308 308 ILE H H 1 0.746 0.019 . . . 962 ILE N . 962 ILE H 50454 1 278 . 1 1 309 309 SER N N 15 . 1 1 309 309 SER H H 1 0.569 0.011 . . . 963 SER N . 963 SER H 50454 1 279 . 1 1 310 310 LEU N N 15 . 1 1 310 310 LEU H H 1 0.709 0.017 . . . 964 LEU N . 964 LEU H 50454 1 280 . 1 1 311 311 ASP N N 15 . 1 1 311 311 ASP H H 1 0.792 0.027 . . . 965 ASP N . 965 ASP H 50454 1 281 . 1 1 312 312 GLY N N 15 . 1 1 312 312 GLY H H 1 0.663 0.014 . . . 966 GLY N . 966 GLY H 50454 1 282 . 1 1 313 313 VAL N N 15 . 1 1 313 313 VAL H H 1 0.603 0.010 . . . 967 VAL N . 967 VAL H 50454 1 283 . 1 1 314 314 ASP N N 15 . 1 1 314 314 ASP H H 1 0.753 0.018 . . . 968 ASP N . 968 ASP H 50454 1 284 . 1 1 315 315 VAL N N 15 . 1 1 315 315 VAL H H 1 0.849 0.027 . . . 969 VAL N . 969 VAL H 50454 1 285 . 1 1 317 317 LEU N N 15 . 1 1 317 317 LEU H H 1 0.566 0.030 . . . 971 LEU N . 971 LEU H 50454 1 286 . 1 1 318 318 GLY N N 15 . 1 1 318 318 GLY H H 1 0.813 0.024 . . . 972 GLY N . 972 GLY H 50454 1 287 . 1 1 319 319 THR N N 15 . 1 1 319 319 THR H H 1 0.749 0.026 . . . 973 THR N . 973 THR H 50454 1 288 . 1 1 320 320 GLY N N 15 . 1 1 320 320 GLY H H 1 0.641 0.030 . . . 974 GLY N . 974 GLY H 50454 1 289 . 1 1 321 321 ILE N N 15 . 1 1 321 321 ILE H H 1 0.920 0.040 . . . 975 ILE N . 975 ILE H 50454 1 290 . 1 1 322 322 SER N N 15 . 1 1 322 322 SER H H 1 0.772 0.016 . . . 976 SER N . 976 SER H 50454 1 291 . 1 1 323 323 SER N N 15 . 1 1 323 323 SER H H 1 0.626 0.018 . . . 977 SER N . 977 SER H 50454 1 292 . 1 1 324 324 GLY N N 15 . 1 1 324 324 GLY H H 1 0.621 0.022 . . . 978 GLY N . 978 GLY H 50454 1 293 . 1 1 325 325 VAL N N 15 . 1 1 325 325 VAL H H 1 0.753 0.018 . . . 979 VAL N . 979 VAL H 50454 1 294 . 1 1 326 326 ASN N N 15 . 1 1 326 326 ASN H H 1 0.247 0.168 . . . 980 ASN N . 980 ASN H 50454 1 295 . 1 1 327 327 ASP N N 15 . 1 1 327 327 ASP H H 1 0.587 0.050 . . . 981 ASP N . 981 ASP H 50454 1 296 . 1 1 328 328 THR N N 15 . 1 1 328 328 THR H H 1 0.433 0.009 . . . 982 THR N . 982 THR H 50454 1 297 . 1 1 329 329 SER N N 15 . 1 1 329 329 SER H H 1 0.722 0.048 . . . 983 SER N . 983 SER H 50454 1 298 . 1 1 330 330 LEU N N 15 . 1 1 330 330 LEU H H 1 0.791 0.029 . . . 984 LEU N . 984 LEU H 50454 1 299 . 1 1 331 331 LEU N N 15 . 1 1 331 331 LEU H H 1 0.716 0.045 . . . 985 LEU N . 985 LEU H 50454 1 300 . 1 1 332 332 TYR N N 15 . 1 1 332 332 TYR H H 1 0.890 0.038 . . . 986 TYR N . 986 TYR H 50454 1 301 . 1 1 333 333 ASN N N 15 . 1 1 333 333 ASN H H 1 0.767 0.055 . . . 987 ASN N . 987 ASN H 50454 1 302 . 1 1 334 334 GLU N N 15 . 1 1 334 334 GLU H H 1 0.808 0.059 . . . 988 GLU N . 988 GLU H 50454 1 303 . 1 1 335 335 TYR N N 15 . 1 1 335 335 TYR H H 1 0.675 0.081 . . . 989 TYR N . 989 TYR H 50454 1 304 . 1 1 336 336 ILE N N 15 . 1 1 336 336 ILE H H 1 0.899 0.092 . . . 990 ILE N . 990 ILE H 50454 1 305 . 1 1 338 338 TYR N N 15 . 1 1 338 338 TYR H H 1 0.648 0.084 . . . 992 TYR N . 992 TYR H 50454 1 306 . 1 1 339 339 ASP N N 15 . 1 1 339 339 ASP H H 1 0.811 0.017 . . . 993 ASP N . 993 ASP H 50454 1 307 . 1 1 340 340 ILE N N 15 . 1 1 340 340 ILE H H 1 0.643 0.029 . . . 994 ILE N . 994 ILE H 50454 1 308 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.812 0.033 . . . 995 ALA N . 995 ALA H 50454 1 309 . 1 1 342 342 GLN N N 15 . 1 1 342 342 GLN H H 1 0.988 0.026 . . . 996 GLN N . 996 GLN H 50454 1 310 . 1 1 343 343 VAL N N 15 . 1 1 343 343 VAL H H 1 0.821 0.018 . . . 997 VAL N . 997 VAL H 50454 1 311 . 1 1 344 344 ASN N N 15 . 1 1 344 344 ASN H H 1 0.817 0.025 . . . 998 ASN N . 998 ASN H 50454 1 312 . 1 1 345 345 LEU N N 15 . 1 1 345 345 LEU H H 1 0.695 0.050 . . . 999 LEU N . 999 LEU H 50454 1 313 . 1 1 346 346 LYS N N 15 . 1 1 346 346 LYS H H 1 0.853 0.016 . . . 1000 LYS N . 1000 LYS H 50454 1 314 . 1 1 347 347 TYR N N 15 . 1 1 347 347 TYR H H 1 0.741 0.049 . . . 1001 TYR N . 1001 TYR H 50454 1 315 . 1 1 348 348 LEU N N 15 . 1 1 348 348 LEU H H 1 0.893 0.031 . . . 1002 LEU N . 1002 LEU H 50454 1 316 . 1 1 349 349 LEU N N 15 . 1 1 349 349 LEU H H 1 0.882 0.035 . . . 1003 LEU N . 1003 LEU H 50454 1 317 . 1 1 350 350 LYS N N 15 . 1 1 350 350 LYS H H 1 0.803 0.022 . . . 1004 LYS N . 1004 LYS H 50454 1 318 . 1 1 351 351 LEU N N 15 . 1 1 351 351 LEU H H 1 0.664 0.033 . . . 1005 LEU N . 1005 LEU H 50454 1 319 . 1 1 352 352 LYS N N 15 . 1 1 352 352 LYS H H 1 0.713 0.048 . . . 1006 LYS N . 1006 LYS H 50454 1 320 . 1 1 353 353 PHE N N 15 . 1 1 353 353 PHE H H 1 0.999 0.078 . . . 1007 PHE N . 1007 PHE H 50454 1 321 . 1 1 354 354 ASN N N 15 . 1 1 354 354 ASN H H 1 0.764 0.022 . . . 1008 ASN N . 1008 ASN H 50454 1 322 . 1 1 355 355 PHE N N 15 . 1 1 355 355 PHE H H 1 0.470 0.012 . . . 1009 PHE N . 1009 PHE H 50454 1 323 . 1 1 356 356 LYS N N 15 . 1 1 356 356 LYS H H 1 0.593 0.015 . . . 1010 LYS N . 1010 LYS H 50454 1 324 . 1 1 357 357 THR N N 15 . 1 1 357 357 THR H H 1 0.334 0.013 . . . 1011 THR N . 1011 THR H 50454 1 325 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.191 0.009 . . . 1012 SER N . 1012 SER H 50454 1 326 . 1 1 359 359 LEU N N 15 . 1 1 359 359 LEU H H 1 -0.048 0.002 . . . 1013 LEU N . 1013 LEU H 50454 1 327 . 1 1 360 360 TRP N N 15 . 1 1 360 360 TRP H H 1 -0.226 0.001 . . . 1014 TRP N . 1014 TRP H 50454 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 50454 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _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 14 '2D 1H-15N TROSY-based 15N T1 measurement' 6 $sample_6 . 50454 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 1169 14 . . 657 VAL N 50454 1 2 . 1 1 4 4 ASN N N 15 1216 81 . . 658 ASN N 50454 1 3 . 1 1 6 6 GLY N N 15 900 29 . . 660 GLY N 50454 1 4 . 1 1 7 7 THR N N 15 1129 30 . . 661 THR N 50454 1 5 . 1 1 8 8 LYS N N 15 1352 58 . . 662 LYS N 50454 1 6 . 1 1 9 9 SER N N 15 1499 48 . . 663 SER N 50454 1 7 . 1 1 10 10 LYS N N 15 1746 50 . . 664 LYS N 50454 1 8 . 1 1 11 11 LEU N N 15 1242 42 . . 665 LEU N 50454 1 9 . 1 1 15 15 VAL N N 15 3018 145 . . 669 VAL N 50454 1 10 . 1 1 16 16 GLN N N 15 3047 96 . . 670 GLN N 50454 1 11 . 1 1 17 17 ASP N N 15 2952 145 . . 671 ASP N 50454 1 12 . 1 1 18 18 LEU N N 15 2811 61 . . 672 LEU N 50454 1 13 . 1 1 19 19 ILE N N 15 3116 83 . . 673 ILE N 50454 1 14 . 1 1 20 20 LYS N N 15 2821 83 . . 674 LYS N 50454 1 15 . 1 1 21 21 MET N N 15 2882 128 . . 675 MET N 50454 1 16 . 1 1 22 22 ILE N N 15 2859 72 . . 676 ILE N 50454 1 17 . 1 1 23 23 PHE N N 15 2915 82 . . 677 PHE N 50454 1 18 . 1 1 24 24 ASP N N 15 2803 58 . . 678 ASP N 50454 1 19 . 1 1 25 25 VAL N N 15 2820 60 . . 679 VAL N 50454 1 20 . 1 1 26 26 GLU N N 15 2541 40 . . 680 GLU N 50454 1 21 . 1 1 27 27 SER N N 15 2800 56 . . 681 SER N 50454 1 22 . 1 1 28 28 MET N N 15 2819 93 . . 682 MET N 50454 1 23 . 1 1 29 29 LYS N N 15 2498 53 . . 683 LYS N 50454 1 24 . 1 1 30 30 LYS N N 15 2702 56 . . 684 LYS N 50454 1 25 . 1 1 31 31 ALA N N 15 2666 45 . . 685 ALA N 50454 1 26 . 1 1 32 32 MET N N 15 3142 50 . . 686 MET N 50454 1 27 . 1 1 33 33 VAL N N 15 3093 61 . . 687 VAL N 50454 1 28 . 1 1 34 34 GLU N N 15 2557 152 . . 688 GLU N 50454 1 29 . 1 1 35 35 TYR N N 15 2913 57 . . 689 TYR N 50454 1 30 . 1 1 36 36 GLU N N 15 2742 219 . . 690 GLU N 50454 1 31 . 1 1 37 37 ILE N N 15 2602 43 . . 691 ILE N 50454 1 32 . 1 1 38 38 ASP N N 15 2774 222 . . 692 ASP N 50454 1 33 . 1 1 39 39 LEU N N 15 2722 97 . . 693 LEU N 50454 1 34 . 1 1 40 40 GLN N N 15 2612 67 . . 694 GLN N 50454 1 35 . 1 1 41 41 LYS N N 15 3038 90 . . 695 LYS N 50454 1 36 . 1 1 42 42 MET N N 15 2358 71 . . 696 MET N 50454 1 37 . 1 1 44 44 LEU N N 15 2644 72 . . 698 LEU N 50454 1 38 . 1 1 46 46 LYS N N 15 2328 32 . . 700 LYS N 50454 1 39 . 1 1 47 47 LEU N N 15 2143 103 . . 701 LEU N 50454 1 40 . 1 1 48 48 SER N N 15 2631 43 . . 702 SER N 50454 1 41 . 1 1 49 49 LYS N N 15 2282 212 . . 703 LYS N 50454 1 42 . 1 1 50 50 ARG N N 15 2519 70 . . 704 ARG N 50454 1 43 . 1 1 51 51 GLN N N 15 2592 54 . . 705 GLN N 50454 1 44 . 1 1 52 52 ILE N N 15 2775 104 . . 706 ILE N 50454 1 45 . 1 1 53 53 GLN N N 15 2833 30 . . 707 GLN N 50454 1 46 . 1 1 54 54 ALA N N 15 2721 53 . . 708 ALA N 50454 1 47 . 1 1 55 55 ALA N N 15 2807 46 . . 709 ALA N 50454 1 48 . 1 1 56 56 TYR N N 15 2874 81 . . 710 TYR N 50454 1 49 . 1 1 57 57 SER N N 15 2303 135 . . 711 SER N 50454 1 50 . 1 1 58 58 ILE N N 15 2802 140 . . 712 ILE N 50454 1 51 . 1 1 59 59 LEU N N 15 2765 99 . . 713 LEU N 50454 1 52 . 1 1 60 60 SER N N 15 2701 131 . . 714 SER N 50454 1 53 . 1 1 61 61 GLU N N 15 2679 23 . . 715 GLU N 50454 1 54 . 1 1 62 62 VAL N N 15 2719 122 . . 716 VAL N 50454 1 55 . 1 1 63 63 GLN N N 15 2816 28 . . 717 GLN N 50454 1 56 . 1 1 64 64 GLN N N 15 2536 35 . . 718 GLN N 50454 1 57 . 1 1 65 65 ALA N N 15 2767 35 . . 719 ALA N 50454 1 58 . 1 1 66 66 VAL N N 15 2653 64 . . 720 VAL N 50454 1 59 . 1 1 67 67 SER N N 15 2471 39 . . 721 SER N 50454 1 60 . 1 1 68 68 GLN N N 15 2612 48 . . 722 GLN N 50454 1 61 . 1 1 69 69 GLY N N 15 2008 58 . . 723 GLY N 50454 1 62 . 1 1 70 70 SER N N 15 1558 39 . . 724 SER N 50454 1 63 . 1 1 71 71 SER N N 15 1363 56 . . 725 SER N 50454 1 64 . 1 1 72 72 ASP N N 15 2288 66 . . 726 ASP N 50454 1 65 . 1 1 73 73 SER N N 15 2616 26 . . 727 SER N 50454 1 66 . 1 1 74 74 GLN N N 15 2244 38 . . 728 GLN N 50454 1 67 . 1 1 75 75 ILE N N 15 2523 38 . . 729 ILE N 50454 1 68 . 1 1 76 76 LEU N N 15 2450 129 . . 730 LEU N 50454 1 69 . 1 1 77 77 ASP N N 15 2717 113 . . 731 ASP N 50454 1 70 . 1 1 78 78 LEU N N 15 2180 72 . . 732 LEU N 50454 1 71 . 1 1 79 79 SER N N 15 2427 152 . . 733 SER N 50454 1 72 . 1 1 80 80 ASN N N 15 2728 71 . . 734 ASN N 50454 1 73 . 1 1 81 81 ARG N N 15 2081 177 . . 735 ARG N 50454 1 74 . 1 1 82 82 PHE N N 15 2542 53 . . 736 PHE N 50454 1 75 . 1 1 83 83 TYR N N 15 2969 85 . . 737 TYR N 50454 1 76 . 1 1 84 84 THR N N 15 2911 114 . . 738 THR N 50454 1 77 . 1 1 85 85 LEU N N 15 2728 47 . . 739 LEU N 50454 1 78 . 1 1 86 86 ILE N N 15 3087 48 . . 740 ILE N 50454 1 79 . 1 1 88 88 HIS N N 15 3004 202 . . 742 HIS N 50454 1 80 . 1 1 89 89 ASP N N 15 2784 76 . . 743 ASP N 50454 1 81 . 1 1 90 90 PHE N N 15 2274 40 . . 744 PHE N 50454 1 82 . 1 1 91 91 GLY N N 15 1905 20 . . 745 GLY N 50454 1 83 . 1 1 92 92 MET N N 15 2214 155 . . 746 MET N 50454 1 84 . 1 1 93 93 LYS N N 15 2169 42 . . 747 LYS N 50454 1 85 . 1 1 94 94 LYS N N 15 2014 31 . . 748 LYS N 50454 1 86 . 1 1 97 97 LEU N N 15 2428 23 . . 751 LEU N 50454 1 87 . 1 1 98 98 LEU N N 15 2542 139 . . 752 LEU N 50454 1 88 . 1 1 99 99 ASN N N 15 2269 51 . . 753 ASN N 50454 1 89 . 1 1 100 100 ASN N N 15 2426 66 . . 754 ASN N 50454 1 90 . 1 1 101 101 ALA N N 15 2393 268 . . 755 ALA N 50454 1 91 . 1 1 102 102 ASP N N 15 2504 74 . . 756 ASP N 50454 1 92 . 1 1 103 103 SER N N 15 2647 50 . . 757 SER N 50454 1 93 . 1 1 104 104 VAL N N 15 2750 128 . . 758 VAL N 50454 1 94 . 1 1 105 105 GLN N N 15 2775 96 . . 759 GLN N 50454 1 95 . 1 1 106 106 ALA N N 15 2703 61 . . 760 ALA N 50454 1 96 . 1 1 107 107 LYS N N 15 3072 103 . . 761 LYS N 50454 1 97 . 1 1 108 108 ALA N N 15 2856 136 . . 762 ALA N 50454 1 98 . 1 1 109 109 GLU N N 15 2416 130 . . 763 GLU N 50454 1 99 . 1 1 110 110 MET N N 15 2757 111 . . 764 MET N 50454 1 100 . 1 1 111 111 LEU N N 15 2470 183 . . 765 LEU N 50454 1 101 . 1 1 112 112 ASP N N 15 2714 48 . . 766 ASP N 50454 1 102 . 1 1 113 113 ASN N N 15 2744 47 . . 767 ASN N 50454 1 103 . 1 1 114 114 LEU N N 15 2634 55 . . 768 LEU N 50454 1 104 . 1 1 115 115 LEU N N 15 2794 50 . . 769 LEU N 50454 1 105 . 1 1 116 116 ASP N N 15 2675 34 . . 770 ASP N 50454 1 106 . 1 1 117 117 ILE N N 15 2692 291 . . 771 ILE N 50454 1 107 . 1 1 118 118 GLU N N 15 2583 148 . . 772 GLU N 50454 1 108 . 1 1 119 119 VAL N N 15 2938 166 . . 773 VAL N 50454 1 109 . 1 1 120 120 ALA N N 15 2636 112 . . 774 ALA N 50454 1 110 . 1 1 121 121 TYR N N 15 2717 82 . . 775 TYR N 50454 1 111 . 1 1 122 122 SER N N 15 2634 97 . . 776 SER N 50454 1 112 . 1 1 123 123 LEU N N 15 2365 76 . . 777 LEU N 50454 1 113 . 1 1 124 124 LEU N N 15 2631 65 . . 778 LEU N 50454 1 114 . 1 1 125 125 ARG N N 15 2295 67 . . 779 ARG N 50454 1 115 . 1 1 126 126 GLY N N 15 1237 16 . . 780 GLY N 50454 1 116 . 1 1 127 127 GLY N N 15 1120 9 . . 781 GLY N 50454 1 117 . 1 1 128 128 SER N N 15 1351 40 . . 782 SER N 50454 1 118 . 1 1 129 129 ASP N N 15 1365 29 . . 783 ASP N 50454 1 119 . 1 1 130 130 ASP N N 15 1188 19 . . 784 ASP N 50454 1 120 . 1 1 132 132 SER N N 15 1466 58 . . 786 SER N 50454 1 121 . 1 1 133 133 LYS N N 15 1590 10 . . 787 LYS N 50454 1 122 . 1 1 134 134 ASP N N 15 2140 52 . . 788 ASP N 50454 1 123 . 1 1 136 136 ILE N N 15 2596 57 . . 790 ILE N 50454 1 124 . 1 1 137 137 ASP N N 15 2580 92 . . 791 ASP N 50454 1 125 . 1 1 138 138 VAL N N 15 2953 76 . . 792 VAL N 50454 1 126 . 1 1 139 139 ASN N N 15 2813 42 . . 793 ASN N 50454 1 127 . 1 1 140 140 TYR N N 15 2698 62 . . 794 TYR N 50454 1 128 . 1 1 141 141 GLU N N 15 2591 41 . . 795 GLU N 50454 1 129 . 1 1 142 142 LYS N N 15 2854 65 . . 796 LYS N 50454 1 130 . 1 1 143 143 LEU N N 15 2776 49 . . 797 LEU N 50454 1 131 . 1 1 144 144 LYS N N 15 2542 35 . . 798 LYS N 50454 1 132 . 1 1 145 145 THR N N 15 2980 79 . . 799 THR N 50454 1 133 . 1 1 146 146 ASP N N 15 2947 173 . . 800 ASP N 50454 1 134 . 1 1 147 147 ILE N N 15 3079 141 . . 801 ILE N 50454 1 135 . 1 1 148 148 LYS N N 15 2892 74 . . 802 LYS N 50454 1 136 . 1 1 149 149 VAL N N 15 2909 83 . . 803 VAL N 50454 1 137 . 1 1 150 150 VAL N N 15 2682 144 . . 804 VAL N 50454 1 138 . 1 1 151 151 ASP N N 15 2340 77 . . 805 ASP N 50454 1 139 . 1 1 152 152 ARG N N 15 2548 42 . . 806 ARG N 50454 1 140 . 1 1 153 153 ASP N N 15 2293 12 . . 807 ASP N 50454 1 141 . 1 1 154 154 SER N N 15 2433 42 . . 808 SER N 50454 1 142 . 1 1 155 155 GLU N N 15 2555 119 . . 809 GLU N 50454 1 143 . 1 1 156 156 GLU N N 15 2548 104 . . 810 GLU N 50454 1 144 . 1 1 157 157 ALA N N 15 2694 31 . . 811 ALA N 50454 1 145 . 1 1 158 158 GLU N N 15 2637 32 . . 812 GLU N 50454 1 146 . 1 1 159 159 ILE N N 15 2782 84 . . 813 ILE N 50454 1 147 . 1 1 160 160 ILE N N 15 2792 95 . . 814 ILE N 50454 1 148 . 1 1 161 161 ARG N N 15 2744 55 . . 815 ARG N 50454 1 149 . 1 1 162 162 LYS N N 15 2755 71 . . 816 LYS N 50454 1 150 . 1 1 163 163 TYR N N 15 2492 115 . . 817 TYR N 50454 1 151 . 1 1 164 164 VAL N N 15 2913 52 . . 818 VAL N 50454 1 152 . 1 1 165 165 LYS N N 15 3079 165 . . 819 LYS N 50454 1 153 . 1 1 166 166 ASN N N 15 2823 243 . . 820 ASN N 50454 1 154 . 1 1 167 167 THR N N 15 2757 35 . . 821 THR N 50454 1 155 . 1 1 168 168 HIS N N 15 2064 361 . . 822 HIS N 50454 1 156 . 1 1 174 174 ALA N N 15 1604 53 . . 828 ALA N 50454 1 157 . 1 1 175 175 TYR N N 15 2262 55 . . 829 TYR N 50454 1 158 . 1 1 176 176 ASP N N 15 2970 53 . . 830 ASP N 50454 1 159 . 1 1 178 178 GLU N N 15 2871 110 . . 832 GLU N 50454 1 160 . 1 1 179 179 VAL N N 15 2752 56 . . 833 VAL N 50454 1 161 . 1 1 180 180 ILE N N 15 2496 101 . . 834 ILE N 50454 1 162 . 1 1 181 181 ASP N N 15 3055 81 . . 835 ASP N 50454 1 163 . 1 1 182 182 ILE N N 15 2338 58 . . 836 ILE N 50454 1 164 . 1 1 183 183 PHE N N 15 2651 115 . . 837 PHE N 50454 1 165 . 1 1 184 184 LYS N N 15 3205 117 . . 838 LYS N 50454 1 166 . 1 1 185 185 ILE N N 15 2676 110 . . 839 ILE N 50454 1 167 . 1 1 186 186 GLU N N 15 2976 285 . . 840 GLU N 50454 1 168 . 1 1 187 187 ARG N N 15 2933 473 . . 841 ARG N 50454 1 169 . 1 1 188 188 GLU N N 15 2841 194 . . 842 GLU N 50454 1 170 . 1 1 189 189 GLY N N 15 2881 289 . . 843 GLY N 50454 1 171 . 1 1 190 190 GLU N N 15 2715 38 . . 844 GLU N 50454 1 172 . 1 1 191 191 CYS N N 15 2713 58 . . 845 CYS N 50454 1 173 . 1 1 192 192 GLN N N 15 2344 120 . . 846 GLN N 50454 1 174 . 1 1 193 193 ARG N N 15 2566 147 . . 847 ARG N 50454 1 175 . 1 1 194 194 TYR N N 15 2725 38 . . 848 TYR N 50454 1 176 . 1 1 195 195 LYS N N 15 3096 133 . . 849 LYS N 50454 1 177 . 1 1 197 197 PHE N N 15 2670 82 . . 851 PHE N 50454 1 178 . 1 1 198 198 LYS N N 15 2484 73 . . 852 LYS N 50454 1 179 . 1 1 199 199 GLN N N 15 2093 38 . . 853 GLN N 50454 1 180 . 1 1 200 200 LEU N N 15 2301 86 . . 854 LEU N 50454 1 181 . 1 1 201 201 HIS N N 15 2752 43 . . 855 HIS N 50454 1 182 . 1 1 202 202 ASN N N 15 2781 95 . . 856 ASN N 50454 1 183 . 1 1 203 203 ARG N N 15 2864 50 . . 857 ARG N 50454 1 184 . 1 1 204 204 ARG N N 15 2509 56 . . 858 ARG N 50454 1 185 . 1 1 205 205 LEU N N 15 2551 129 . . 859 LEU N 50454 1 186 . 1 1 206 206 LEU N N 15 2484 104 . . 860 LEU N 50454 1 187 . 1 1 207 207 TRP N N 15 2936 45 . . 861 TRP N 50454 1 188 . 1 1 208 208 HIS N N 15 2566 243 . . 862 HIS N 50454 1 189 . 1 1 209 209 GLY N N 15 2415 297 . . 863 GLY N 50454 1 190 . 1 1 210 210 SER N N 15 948 51 . . 864 SER N 50454 1 191 . 1 1 211 211 ARG N N 15 2692 118 . . 865 ARG N 50454 1 192 . 1 1 212 212 THR N N 15 2674 106 . . 866 THR N 50454 1 193 . 1 1 213 213 THR N N 15 2685 123 . . 867 THR N 50454 1 194 . 1 1 214 214 ASN N N 15 2476 102 . . 868 ASN N 50454 1 195 . 1 1 215 215 PHE N N 15 2056 88 . . 869 PHE N 50454 1 196 . 1 1 216 216 ALA N N 15 2756 59 . . 870 ALA N 50454 1 197 . 1 1 217 217 GLY N N 15 2618 116 . . 871 GLY N 50454 1 198 . 1 1 218 218 ILE N N 15 2750 77 . . 872 ILE N 50454 1 199 . 1 1 219 219 LEU N N 15 2497 101 . . 873 LEU N 50454 1 200 . 1 1 220 220 SER N N 15 2256 82 . . 874 SER N 50454 1 201 . 1 1 221 221 GLN N N 15 2628 46 . . 875 GLN N 50454 1 202 . 1 1 222 222 GLY N N 15 2791 48 . . 876 GLY N 50454 1 203 . 1 1 223 223 LEU N N 15 1512 38 . . 877 LEU N 50454 1 204 . 1 1 224 224 ARG N N 15 1438 56 . . 878 ARG N 50454 1 205 . 1 1 225 225 ILE N N 15 2785 186 . . 879 ILE N 50454 1 206 . 1 1 226 226 ALA N N 15 2602 56 . . 880 ALA N 50454 1 207 . 1 1 229 229 GLU N N 15 2836 49 . . 883 GLU N 50454 1 208 . 1 1 230 230 ALA N N 15 2650 44 . . 884 ALA N 50454 1 209 . 1 1 232 232 VAL N N 15 2216 90 . . 886 VAL N 50454 1 210 . 1 1 233 233 THR N N 15 2450 283 . . 887 THR N 50454 1 211 . 1 1 234 234 GLY N N 15 2071 105 . . 888 GLY N 50454 1 212 . 1 1 235 235 TYR N N 15 2256 66 . . 889 TYR N 50454 1 213 . 1 1 236 236 MET N N 15 1995 733 . . 890 MET N 50454 1 214 . 1 1 237 237 PHE N N 15 2788 296 . . 891 PHE N 50454 1 215 . 1 1 238 238 GLY N N 15 2691 181 . . 892 GLY N 50454 1 216 . 1 1 239 239 LYS N N 15 2459 518 . . 893 LYS N 50454 1 217 . 1 1 240 240 GLY N N 15 2653 111 . . 894 GLY N 50454 1 218 . 1 1 241 241 ILE N N 15 2718 118 . . 895 ILE N 50454 1 219 . 1 1 242 242 TYR N N 15 2821 507 . . 896 TYR N 50454 1 220 . 1 1 243 243 PHE N N 15 1526 455 . . 897 PHE N 50454 1 221 . 1 1 244 244 ALA N N 15 2452 504 . . 898 ALA N 50454 1 222 . 1 1 245 245 ASP N N 15 2257 470 . . 899 ASP N 50454 1 223 . 1 1 246 246 MET N N 15 2304 41 . . 900 MET N 50454 1 224 . 1 1 247 247 VAL N N 15 2813 165 . . 901 VAL N 50454 1 225 . 1 1 248 248 SER N N 15 2741 324 . . 902 SER N 50454 1 226 . 1 1 249 249 LYS N N 15 2554 162 . . 903 LYS N 50454 1 227 . 1 1 251 251 ALA N N 15 2263 53 . . 905 ALA N 50454 1 228 . 1 1 252 252 ASN N N 15 2378 224 . . 906 ASN N 50454 1 229 . 1 1 253 253 TYR N N 15 2733 184 . . 907 TYR N 50454 1 230 . 1 1 255 255 HIS N N 15 2425 110 . . 909 HIS N 50454 1 231 . 1 1 256 256 THR N N 15 2699 51 . . 910 THR N 50454 1 232 . 1 1 257 257 SER N N 15 1890 39 . . 911 SER N 50454 1 233 . 1 1 258 258 GLN N N 15 2555 73 . . 912 GLN N 50454 1 234 . 1 1 259 259 GLY N N 15 2672 269 . . 913 GLY N 50454 1 235 . 1 1 260 260 ASP N N 15 2470 43 . . 914 ASP N 50454 1 236 . 1 1 262 262 ILE N N 15 2606 69 . . 916 ILE N 50454 1 237 . 1 1 263 263 GLY N N 15 2681 356 . . 917 GLY N 50454 1 238 . 1 1 264 264 LEU N N 15 2692 273 . . 918 LEU N 50454 1 239 . 1 1 265 265 ILE N N 15 2355 130 . . 919 ILE N 50454 1 240 . 1 1 267 267 LEU N N 15 2625 40 . . 921 LEU N 50454 1 241 . 1 1 268 268 GLY N N 15 2845 186 . . 922 GLY N 50454 1 242 . 1 1 269 269 GLU N N 15 2831 270 . . 923 GLU N 50454 1 243 . 1 1 270 270 VAL N N 15 2737 108 . . 924 VAL N 50454 1 244 . 1 1 271 271 ALA N N 15 2942 69 . . 925 ALA N 50454 1 245 . 1 1 272 272 LEU N N 15 2622 225 . . 926 LEU N 50454 1 246 . 1 1 273 273 GLY N N 15 2940 73 . . 927 GLY N 50454 1 247 . 1 1 274 274 ASN N N 15 2949 94 . . 928 ASN N 50454 1 248 . 1 1 275 275 MET N N 15 3001 81 . . 929 MET N 50454 1 249 . 1 1 276 276 TYR N N 15 2900 249 . . 930 TYR N 50454 1 250 . 1 1 277 277 GLU N N 15 2962 75 . . 931 GLU N 50454 1 251 . 1 1 278 278 LEU N N 15 2612 243 . . 932 LEU N 50454 1 252 . 1 1 279 279 LYS N N 15 2636 173 . . 933 LYS N 50454 1 253 . 1 1 280 280 HIS N N 15 2376 116 . . 934 HIS N 50454 1 254 . 1 1 281 281 ALA N N 15 2231 171 . . 935 ALA N 50454 1 255 . 1 1 282 282 SER N N 15 2568 376 . . 936 SER N 50454 1 256 . 1 1 284 284 ILE N N 15 1986 200 . . 938 ILE N 50454 1 257 . 1 1 285 285 SER N N 15 2114 161 . . 939 SER N 50454 1 258 . 1 1 286 286 LYS N N 15 2328 173 . . 940 LYS N 50454 1 259 . 1 1 287 287 LEU N N 15 2517 46 . . 941 LEU N 50454 1 260 . 1 1 289 289 LYS N N 15 2616 26 . . 943 LYS N 50454 1 261 . 1 1 290 290 GLY N N 15 663 216 . . 944 GLY N 50454 1 262 . 1 1 291 291 LYS N N 15 2964 99 . . 945 LYS N 50454 1 263 . 1 1 292 292 HIS N N 15 2930 158 . . 946 HIS N 50454 1 264 . 1 1 293 293 SER N N 15 2827 59 . . 947 SER N 50454 1 265 . 1 1 294 294 VAL N N 15 2998 153 . . 948 VAL N 50454 1 266 . 1 1 295 295 LYS N N 15 2817 217 . . 949 LYS N 50454 1 267 . 1 1 296 296 GLY N N 15 2649 83 . . 950 GLY N 50454 1 268 . 1 1 297 297 LEU N N 15 2775 64 . . 951 LEU N 50454 1 269 . 1 1 298 298 GLY N N 15 2372 167 . . 952 GLY N 50454 1 270 . 1 1 299 299 LYS N N 15 2856 159 . . 953 LYS N 50454 1 271 . 1 1 300 300 THR N N 15 2915 134 . . 954 THR N 50454 1 272 . 1 1 301 301 THR N N 15 2615 99 . . 955 THR N 50454 1 273 . 1 1 303 303 ASP N N 15 2686 119 . . 957 ASP N 50454 1 274 . 1 1 305 305 SER N N 15 2613 52 . . 959 SER N 50454 1 275 . 1 1 306 306 ALA N N 15 2807 98 . . 960 ALA N 50454 1 276 . 1 1 307 307 ASN N N 15 2268 30 . . 961 ASN N 50454 1 277 . 1 1 308 308 ILE N N 15 2686 47 . . 962 ILE N 50454 1 278 . 1 1 309 309 SER N N 15 2104 76 . . 963 SER N 50454 1 279 . 1 1 310 310 LEU N N 15 2531 26 . . 964 LEU N 50454 1 280 . 1 1 311 311 ASP N N 15 2874 160 . . 965 ASP N 50454 1 281 . 1 1 312 312 GLY N N 15 2411 75 . . 966 GLY N 50454 1 282 . 1 1 313 313 VAL N N 15 2145 61 . . 967 VAL N 50454 1 283 . 1 1 314 314 ASP N N 15 3106 107 . . 968 ASP N 50454 1 284 . 1 1 315 315 VAL N N 15 2907 66 . . 969 VAL N 50454 1 285 . 1 1 317 317 LEU N N 15 2580 136 . . 971 LEU N 50454 1 286 . 1 1 318 318 GLY N N 15 2783 110 . . 972 GLY N 50454 1 287 . 1 1 319 319 THR N N 15 2917 153 . . 973 THR N 50454 1 288 . 1 1 320 320 GLY N N 15 2806 104 . . 974 GLY N 50454 1 289 . 1 1 321 321 ILE N N 15 2561 156 . . 975 ILE N 50454 1 290 . 1 1 322 322 SER N N 15 2894 102 . . 976 SER N 50454 1 291 . 1 1 323 323 SER N N 15 2243 52 . . 977 SER N 50454 1 292 . 1 1 324 324 GLY N N 15 2597 42 . . 978 GLY N 50454 1 293 . 1 1 325 325 VAL N N 15 2838 69 . . 979 VAL N 50454 1 294 . 1 1 326 326 ASN N N 15 1860 253 . . 980 ASN N 50454 1 295 . 1 1 327 327 ASP N N 15 2455 287 . . 981 ASP N 50454 1 296 . 1 1 328 328 THR N N 15 2513 64 . . 982 THR N 50454 1 297 . 1 1 329 329 SER N N 15 2329 97 . . 983 SER N 50454 1 298 . 1 1 330 330 LEU N N 15 2424 83 . . 984 LEU N 50454 1 299 . 1 1 331 331 LEU N N 15 2819 280 . . 985 LEU N 50454 1 300 . 1 1 332 332 TYR N N 15 2584 171 . . 986 TYR N 50454 1 301 . 1 1 333 333 ASN N N 15 2508 280 . . 987 ASN N 50454 1 302 . 1 1 334 334 GLU N N 15 2412 108 . . 988 GLU N 50454 1 303 . 1 1 335 335 TYR N N 15 2845 288 . . 989 TYR N 50454 1 304 . 1 1 336 336 ILE N N 15 2360 277 . . 990 ILE N 50454 1 305 . 1 1 337 337 VAL N N 15 2765 515 . . 991 VAL N 50454 1 306 . 1 1 338 338 TYR N N 15 2776 302 . . 992 TYR N 50454 1 307 . 1 1 339 339 ASP N N 15 2761 18 . . 993 ASP N 50454 1 308 . 1 1 340 340 ILE N N 15 2285 80 . . 994 ILE N 50454 1 309 . 1 1 341 341 ALA N N 15 2800 95 . . 995 ALA N 50454 1 310 . 1 1 342 342 GLN N N 15 3043 57 . . 996 GLN N 50454 1 311 . 1 1 343 343 VAL N N 15 2661 46 . . 997 VAL N 50454 1 312 . 1 1 344 344 ASN N N 15 2749 154 . . 998 ASN N 50454 1 313 . 1 1 345 345 LEU N N 15 3103 194 . . 999 LEU N 50454 1 314 . 1 1 346 346 LYS N N 15 2679 75 . . 1000 LYS N 50454 1 315 . 1 1 347 347 TYR N N 15 2919 183 . . 1001 TYR N 50454 1 316 . 1 1 348 348 LEU N N 15 3064 143 . . 1002 LEU N 50454 1 317 . 1 1 349 349 LEU N N 15 2892 117 . . 1003 LEU N 50454 1 318 . 1 1 350 350 LYS N N 15 2897 53 . . 1004 LYS N 50454 1 319 . 1 1 351 351 LEU N N 15 2619 177 . . 1005 LEU N 50454 1 320 . 1 1 352 352 LYS N N 15 3110 110 . . 1006 LYS N 50454 1 321 . 1 1 353 353 PHE N N 15 2929 145 . . 1007 PHE N 50454 1 322 . 1 1 354 354 ASN N N 15 2850 60 . . 1008 ASN N 50454 1 323 . 1 1 355 355 PHE N N 15 2128 73 . . 1009 PHE N 50454 1 324 . 1 1 356 356 LYS N N 15 1847 106 . . 1010 LYS N 50454 1 325 . 1 1 357 357 THR N N 15 1138 25 . . 1011 THR N 50454 1 326 . 1 1 358 358 SER N N 15 841 24 . . 1012 SER N 50454 1 327 . 1 1 359 359 LEU N N 15 841 9 . . 1013 LEU N 50454 1 328 . 1 1 360 360 TRP N N 15 923 1 . . 1014 TRP N 50454 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 50454 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name . _Heteronucl_T1rho_list.Sample_condition_list_ID 2 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_2 _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 15 '2D 1H-15N TROSY-based 15N T1rho measurement' 6 $sample_6 . 50454 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 15 196.74 6.99 . . . . 657 VAL N 50454 1 2 . 1 1 4 4 ASN N N 15 88.96 6.24 . . . . 658 ASN N 50454 1 3 . 1 1 6 6 GLY N N 15 69.52 0.94 . . . . 660 GLY N 50454 1 4 . 1 1 7 7 THR N N 15 70.01 1.80 . . . . 661 THR N 50454 1 5 . 1 1 8 8 LYS N N 15 46.26 0.96 . . . . 662 LYS N 50454 1 6 . 1 1 9 9 SER N N 15 39.33 0.95 . . . . 663 SER N 50454 1 7 . 1 1 10 10 LYS N N 15 33.09 0.90 . . . . 664 LYS N 50454 1 8 . 1 1 11 11 LEU N N 15 67.58 1.75 . . . . 665 LEU N 50454 1 9 . 1 1 15 15 VAL N N 15 23.47 0.49 . . . . 669 VAL N 50454 1 10 . 1 1 16 16 GLN N N 15 25.38 0.90 . . . . 670 GLN N 50454 1 11 . 1 1 17 17 ASP N N 15 25.50 0.69 . . . . 671 ASP N 50454 1 12 . 1 1 18 18 LEU N N 15 24.38 0.43 . . . . 672 LEU N 50454 1 13 . 1 1 19 19 ILE N N 15 23.29 0.66 . . . . 673 ILE N 50454 1 14 . 1 1 20 20 LYS N N 15 24.30 0.60 . . . . 674 LYS N 50454 1 15 . 1 1 21 21 MET N N 15 24.89 0.83 . . . . 675 MET N 50454 1 16 . 1 1 22 22 ILE N N 15 17.36 0.51 . . . . 676 ILE N 50454 1 17 . 1 1 23 23 PHE N N 15 24.28 0.27 . . . . 677 PHE N 50454 1 18 . 1 1 24 24 ASP N N 15 31.07 0.88 . . . . 678 ASP N 50454 1 19 . 1 1 25 25 VAL N N 15 24.48 0.20 . . . . 679 VAL N 50454 1 20 . 1 1 26 26 GLU N N 15 24.14 0.63 . . . . 680 GLU N 50454 1 21 . 1 1 27 27 SER N N 15 25.50 0.43 . . . . 681 SER N 50454 1 22 . 1 1 28 28 MET N N 15 23.48 1.03 . . . . 682 MET N 50454 1 23 . 1 1 29 29 LYS N N 15 27.26 0.61 . . . . 683 LYS N 50454 1 24 . 1 1 30 30 LYS N N 15 23.08 0.57 . . . . 684 LYS N 50454 1 25 . 1 1 31 31 ALA N N 15 23.43 0.81 . . . . 685 ALA N 50454 1 26 . 1 1 32 32 MET N N 15 25.60 0.67 . . . . 686 MET N 50454 1 27 . 1 1 33 33 VAL N N 15 24.18 0.33 . . . . 687 VAL N 50454 1 28 . 1 1 34 34 GLU N N 15 22.98 0.96 . . . . 688 GLU N 50454 1 29 . 1 1 35 35 TYR N N 15 25.23 0.48 . . . . 689 TYR N 50454 1 30 . 1 1 36 36 GLU N N 15 20.40 0.43 . . . . 690 GLU N 50454 1 31 . 1 1 37 37 ILE N N 15 24.65 0.45 . . . . 691 ILE N 50454 1 32 . 1 1 38 38 ASP N N 15 21.75 0.31 . . . . 692 ASP N 50454 1 33 . 1 1 39 39 LEU N N 15 25.67 0.36 . . . . 693 LEU N 50454 1 34 . 1 1 40 40 GLN N N 15 24.42 0.64 . . . . 694 GLN N 50454 1 35 . 1 1 41 41 LYS N N 15 29.70 0.46 . . . . 695 LYS N 50454 1 36 . 1 1 42 42 MET N N 15 30.24 0.73 . . . . 696 MET N 50454 1 37 . 1 1 44 44 LEU N N 15 24.32 0.29 . . . . 698 LEU N 50454 1 38 . 1 1 46 46 LYS N N 15 21.89 0.68 . . . . 700 LYS N 50454 1 39 . 1 1 47 47 LEU N N 15 25.49 0.78 . . . . 701 LEU N 50454 1 40 . 1 1 48 48 SER N N 15 23.67 0.54 . . . . 702 SER N 50454 1 41 . 1 1 49 49 LYS N N 15 18.84 0.64 . . . . 703 LYS N 50454 1 42 . 1 1 50 50 ARG N N 15 25.15 0.80 . . . . 704 ARG N 50454 1 43 . 1 1 51 51 GLN N N 15 23.87 0.56 . . . . 705 GLN N 50454 1 44 . 1 1 52 52 ILE N N 15 25.36 0.43 . . . . 706 ILE N 50454 1 45 . 1 1 53 53 GLN N N 15 22.99 0.93 . . . . 707 GLN N 50454 1 46 . 1 1 54 54 ALA N N 15 22.84 0.67 . . . . 708 ALA N 50454 1 47 . 1 1 55 55 ALA N N 15 22.53 0.47 . . . . 709 ALA N 50454 1 48 . 1 1 56 56 TYR N N 15 22.87 0.12 . . . . 710 TYR N 50454 1 49 . 1 1 57 57 SER N N 15 29.12 2.54 . . . . 711 SER N 50454 1 50 . 1 1 58 58 ILE N N 15 22.78 0.24 . . . . 712 ILE N 50454 1 51 . 1 1 59 59 LEU N N 15 23.18 0.79 . . . . 713 LEU N 50454 1 52 . 1 1 60 60 SER N N 15 25.04 0.61 . . . . 714 SER N 50454 1 53 . 1 1 61 61 GLU N N 15 22.64 0.24 . . . . 715 GLU N 50454 1 54 . 1 1 62 62 VAL N N 15 24.54 0.34 . . . . 716 VAL N 50454 1 55 . 1 1 63 63 GLN N N 15 23.20 0.28 . . . . 717 GLN N 50454 1 56 . 1 1 64 64 GLN N N 15 25.28 0.67 . . . . 718 GLN N 50454 1 57 . 1 1 65 65 ALA N N 15 22.11 0.38 . . . . 719 ALA N 50454 1 58 . 1 1 66 66 VAL N N 15 25.96 0.63 . . . . 720 VAL N 50454 1 59 . 1 1 67 67 SER N N 15 26.29 0.29 . . . . 721 SER N 50454 1 60 . 1 1 68 68 GLN N N 15 23.65 0.85 . . . . 722 GLN N 50454 1 61 . 1 1 69 69 GLY N N 15 32.80 0.40 . . . . 723 GLY N 50454 1 62 . 1 1 70 70 SER N N 15 47.68 0.79 . . . . 724 SER N 50454 1 63 . 1 1 71 71 SER N N 15 49.29 1.14 . . . . 725 SER N 50454 1 64 . 1 1 72 72 ASP N N 15 26.47 0.74 . . . . 726 ASP N 50454 1 65 . 1 1 73 73 SER N N 15 26.11 0.46 . . . . 727 SER N 50454 1 66 . 1 1 74 74 GLN N N 15 26.73 0.43 . . . . 728 GLN N 50454 1 67 . 1 1 75 75 ILE N N 15 26.56 0.56 . . . . 729 ILE N 50454 1 68 . 1 1 76 76 LEU N N 15 24.23 0.55 . . . . 730 LEU N 50454 1 69 . 1 1 77 77 ASP N N 15 24.37 0.51 . . . . 731 ASP N 50454 1 70 . 1 1 78 78 LEU N N 15 19.27 0.28 . . . . 732 LEU N 50454 1 71 . 1 1 79 79 SER N N 15 31.26 1.73 . . . . 733 SER N 50454 1 72 . 1 1 80 80 ASN N N 15 23.48 0.78 . . . . 734 ASN N 50454 1 73 . 1 1 81 81 ARG N N 15 32.44 1.65 . . . . 735 ARG N 50454 1 74 . 1 1 82 82 PHE N N 15 23.90 0.41 . . . . 736 PHE N 50454 1 75 . 1 1 83 83 TYR N N 15 24.32 1.75 . . . . 737 TYR N 50454 1 76 . 1 1 84 84 THR N N 15 27.04 0.56 . . . . 738 THR N 50454 1 77 . 1 1 85 85 LEU N N 15 24.86 0.65 . . . . 739 LEU N 50454 1 78 . 1 1 86 86 ILE N N 15 25.31 0.69 . . . . 740 ILE N 50454 1 79 . 1 1 88 88 HIS N N 15 23.86 0.73 . . . . 742 HIS N 50454 1 80 . 1 1 89 89 ASP N N 15 22.96 0.58 . . . . 743 ASP N 50454 1 81 . 1 1 90 90 PHE N N 15 33.87 0.64 . . . . 744 PHE N 50454 1 82 . 1 1 91 91 GLY N N 15 29.95 0.33 . . . . 745 GLY N 50454 1 83 . 1 1 92 92 MET N N 15 22.14 1.54 . . . . 746 MET N 50454 1 84 . 1 1 93 93 LYS N N 15 25.88 0.12 . . . . 747 LYS N 50454 1 85 . 1 1 94 94 LYS N N 15 35.91 0.34 . . . . 748 LYS N 50454 1 86 . 1 1 97 97 LEU N N 15 28.56 0.38 . . . . 751 LEU N 50454 1 87 . 1 1 98 98 LEU N N 15 26.74 0.69 . . . . 752 LEU N 50454 1 88 . 1 1 99 99 ASN N N 15 34.18 0.65 . . . . 753 ASN N 50454 1 89 . 1 1 100 100 ASN N N 15 26.36 0.48 . . . . 754 ASN N 50454 1 90 . 1 1 101 101 ALA N N 15 25.04 0.74 . . . . 755 ALA N 50454 1 91 . 1 1 102 102 ASP N N 15 27.23 0.56 . . . . 756 ASP N 50454 1 92 . 1 1 103 103 SER N N 15 25.47 0.54 . . . . 757 SER N 50454 1 93 . 1 1 104 104 VAL N N 15 24.72 0.37 . . . . 758 VAL N 50454 1 94 . 1 1 105 105 GLN N N 15 23.74 0.56 . . . . 759 GLN N 50454 1 95 . 1 1 106 106 ALA N N 15 24.47 0.47 . . . . 760 ALA N 50454 1 96 . 1 1 107 107 LYS N N 15 21.90 0.39 . . . . 761 LYS N 50454 1 97 . 1 1 108 108 ALA N N 15 23.51 0.30 . . . . 762 ALA N 50454 1 98 . 1 1 109 109 GLU N N 15 26.88 0.42 . . . . 763 GLU N 50454 1 99 . 1 1 110 110 MET N N 15 24.00 0.91 . . . . 764 MET N 50454 1 100 . 1 1 111 111 LEU N N 15 28.94 0.97 . . . . 765 LEU N 50454 1 101 . 1 1 112 112 ASP N N 15 26.12 0.34 . . . . 766 ASP N 50454 1 102 . 1 1 113 113 ASN N N 15 23.98 0.42 . . . . 767 ASN N 50454 1 103 . 1 1 114 114 LEU N N 15 23.84 0.63 . . . . 768 LEU N 50454 1 104 . 1 1 115 115 LEU N N 15 24.36 0.53 . . . . 769 LEU N 50454 1 105 . 1 1 116 116 ASP N N 15 23.19 0.50 . . . . 770 ASP N 50454 1 106 . 1 1 117 117 ILE N N 15 21.34 0.67 . . . . 771 ILE N 50454 1 107 . 1 1 118 118 GLU N N 15 23.28 0.50 . . . . 772 GLU N 50454 1 108 . 1 1 119 119 VAL N N 15 23.26 0.97 . . . . 773 VAL N 50454 1 109 . 1 1 120 120 ALA N N 15 22.60 0.70 . . . . 774 ALA N 50454 1 110 . 1 1 121 121 TYR N N 15 22.35 0.43 . . . . 775 TYR N 50454 1 111 . 1 1 122 122 SER N N 15 24.15 0.94 . . . . 776 SER N 50454 1 112 . 1 1 123 123 LEU N N 15 26.05 1.36 . . . . 777 LEU N 50454 1 113 . 1 1 124 124 LEU N N 15 26.22 0.52 . . . . 778 LEU N 50454 1 114 . 1 1 125 125 ARG N N 15 27.37 0.39 . . . . 779 ARG N 50454 1 115 . 1 1 126 126 GLY N N 15 45.77 0.49 . . . . 780 GLY N 50454 1 116 . 1 1 127 127 GLY N N 15 77.47 1.14 . . . . 781 GLY N 50454 1 117 . 1 1 128 128 SER N N 15 75.20 1.56 . . . . 782 SER N 50454 1 118 . 1 1 129 129 ASP N N 15 60.09 1.60 . . . . 783 ASP N 50454 1 119 . 1 1 130 130 ASP N N 15 62.30 1.52 . . . . 784 ASP N 50454 1 120 . 1 1 132 132 SER N N 15 38.64 1.46 . . . . 786 SER N 50454 1 121 . 1 1 133 133 LYS N N 15 34.31 0.10 . . . . 787 LYS N 50454 1 122 . 1 1 134 134 ASP N N 15 27.62 0.75 . . . . 788 ASP N 50454 1 123 . 1 1 136 136 ILE N N 15 25.61 0.54 . . . . 790 ILE N 50454 1 124 . 1 1 137 137 ASP N N 15 25.45 0.45 . . . . 791 ASP N 50454 1 125 . 1 1 138 138 VAL N N 15 25.88 0.22 . . . . 792 VAL N 50454 1 126 . 1 1 139 139 ASN N N 15 24.23 0.58 . . . . 793 ASN N 50454 1 127 . 1 1 140 140 TYR N N 15 24.16 0.76 . . . . 794 TYR N 50454 1 128 . 1 1 141 141 GLU N N 15 25.06 0.45 . . . . 795 GLU N 50454 1 129 . 1 1 142 142 LYS N N 15 25.62 0.51 . . . . 796 LYS N 50454 1 130 . 1 1 143 143 LEU N N 15 28.46 0.78 . . . . 797 LEU N 50454 1 131 . 1 1 144 144 LYS N N 15 23.83 0.16 . . . . 798 LYS N 50454 1 132 . 1 1 145 145 THR N N 15 26.01 0.33 . . . . 799 THR N 50454 1 133 . 1 1 146 146 ASP N N 15 23.54 1.15 . . . . 800 ASP N 50454 1 134 . 1 1 147 147 ILE N N 15 24.82 0.68 . . . . 801 ILE N 50454 1 135 . 1 1 148 148 LYS N N 15 24.65 1.28 . . . . 802 LYS N 50454 1 136 . 1 1 149 149 VAL N N 15 26.58 0.25 . . . . 803 VAL N 50454 1 137 . 1 1 150 150 VAL N N 15 24.50 0.34 . . . . 804 VAL N 50454 1 138 . 1 1 151 151 ASP N N 15 26.80 0.53 . . . . 805 ASP N 50454 1 139 . 1 1 152 152 ARG N N 15 26.30 0.74 . . . . 806 ARG N 50454 1 140 . 1 1 153 153 ASP N N 15 26.67 0.50 . . . . 807 ASP N 50454 1 141 . 1 1 154 154 SER N N 15 33.30 0.49 . . . . 808 SER N 50454 1 142 . 1 1 155 155 GLU N N 15 25.18 0.53 . . . . 809 GLU N 50454 1 143 . 1 1 156 156 GLU N N 15 25.71 0.36 . . . . 810 GLU N 50454 1 144 . 1 1 157 157 ALA N N 15 23.99 0.21 . . . . 811 ALA N 50454 1 145 . 1 1 158 158 GLU N N 15 23.42 0.93 . . . . 812 GLU N 50454 1 146 . 1 1 159 159 ILE N N 15 25.59 1.72 . . . . 813 ILE N 50454 1 147 . 1 1 160 160 ILE N N 15 24.85 0.60 . . . . 814 ILE N 50454 1 148 . 1 1 161 161 ARG N N 15 23.70 0.41 . . . . 815 ARG N 50454 1 149 . 1 1 162 162 LYS N N 15 27.05 0.31 . . . . 816 LYS N 50454 1 150 . 1 1 163 163 TYR N N 15 28.77 0.36 . . . . 817 TYR N 50454 1 151 . 1 1 164 164 VAL N N 15 23.08 0.33 . . . . 818 VAL N 50454 1 152 . 1 1 165 165 LYS N N 15 15.54 1.65 . . . . 819 LYS N 50454 1 153 . 1 1 166 166 ASN N N 15 23.79 1.61 . . . . 820 ASN N 50454 1 154 . 1 1 167 167 THR N N 15 20.93 0.67 . . . . 821 THR N 50454 1 155 . 1 1 168 168 HIS N N 15 12.55 1.44 . . . . 822 HIS N 50454 1 156 . 1 1 174 174 ALA N N 15 35.11 1.90 . . . . 828 ALA N 50454 1 157 . 1 1 175 175 TYR N N 15 28.70 1.01 . . . . 829 TYR N 50454 1 158 . 1 1 176 176 ASP N N 15 24.70 0.92 . . . . 830 ASP N 50454 1 159 . 1 1 178 178 GLU N N 15 24.80 0.40 . . . . 832 GLU N 50454 1 160 . 1 1 179 179 VAL N N 15 26.65 0.86 . . . . 833 VAL N 50454 1 161 . 1 1 180 180 ILE N N 15 24.31 0.49 . . . . 834 ILE N 50454 1 162 . 1 1 181 181 ASP N N 15 29.40 0.64 . . . . 835 ASP N 50454 1 163 . 1 1 182 182 ILE N N 15 32.11 1.09 . . . . 836 ILE N 50454 1 164 . 1 1 183 183 PHE N N 15 25.34 1.33 . . . . 837 PHE N 50454 1 165 . 1 1 184 184 LYS N N 15 24.83 0.88 . . . . 838 LYS N 50454 1 166 . 1 1 185 185 ILE N N 15 24.36 0.34 . . . . 839 ILE N 50454 1 167 . 1 1 186 186 GLU N N 15 26.58 0.68 . . . . 840 GLU N 50454 1 168 . 1 1 187 187 ARG N N 15 23.41 1.19 . . . . 841 ARG N 50454 1 169 . 1 1 188 188 GLU N N 15 24.28 0.60 . . . . 842 GLU N 50454 1 170 . 1 1 189 189 GLY N N 15 25.84 1.30 . . . . 843 GLY N 50454 1 171 . 1 1 190 190 GLU N N 15 21.82 0.24 . . . . 844 GLU N 50454 1 172 . 1 1 191 191 CYS N N 15 25.05 0.34 . . . . 845 CYS N 50454 1 173 . 1 1 192 192 GLN N N 15 24.99 0.63 . . . . 846 GLN N 50454 1 174 . 1 1 193 193 ARG N N 15 23.73 0.53 . . . . 847 ARG N 50454 1 175 . 1 1 194 194 TYR N N 15 24.10 0.32 . . . . 848 TYR N 50454 1 176 . 1 1 195 195 LYS N N 15 25.84 0.59 . . . . 849 LYS N 50454 1 177 . 1 1 197 197 PHE N N 15 26.64 0.84 . . . . 851 PHE N 50454 1 178 . 1 1 198 198 LYS N N 15 26.56 0.58 . . . . 852 LYS N 50454 1 179 . 1 1 199 199 GLN N N 15 28.90 0.47 . . . . 853 GLN N 50454 1 180 . 1 1 200 200 LEU N N 15 24.83 0.29 . . . . 854 LEU N 50454 1 181 . 1 1 201 201 HIS N N 15 26.05 0.47 . . . . 855 HIS N 50454 1 182 . 1 1 202 202 ASN N N 15 27.84 0.48 . . . . 856 ASN N 50454 1 183 . 1 1 203 203 ARG N N 15 25.40 0.43 . . . . 857 ARG N 50454 1 184 . 1 1 204 204 ARG N N 15 25.06 0.38 . . . . 858 ARG N 50454 1 185 . 1 1 205 205 LEU N N 15 26.03 0.91 . . . . 859 LEU N 50454 1 186 . 1 1 206 206 LEU N N 15 24.52 2.14 . . . . 860 LEU N 50454 1 187 . 1 1 207 207 TRP N N 15 26.58 0.41 . . . . 861 TRP N 50454 1 188 . 1 1 208 208 HIS N N 15 24.56 1.59 . . . . 862 HIS N 50454 1 189 . 1 1 209 209 GLY N N 15 30.13 2.44 . . . . 863 GLY N 50454 1 190 . 1 1 211 211 ARG N N 15 26.29 0.90 . . . . 865 ARG N 50454 1 191 . 1 1 212 212 THR N N 15 25.56 0.86 . . . . 866 THR N 50454 1 192 . 1 1 213 213 THR N N 15 24.91 0.71 . . . . 867 THR N 50454 1 193 . 1 1 214 214 ASN N N 15 22.45 0.89 . . . . 868 ASN N 50454 1 194 . 1 1 215 215 PHE N N 15 22.67 0.70 . . . . 869 PHE N 50454 1 195 . 1 1 216 216 ALA N N 15 24.16 1.08 . . . . 870 ALA N 50454 1 196 . 1 1 217 217 GLY N N 15 25.12 0.53 . . . . 871 GLY N 50454 1 197 . 1 1 218 218 ILE N N 15 28.57 1.16 . . . . 872 ILE N 50454 1 198 . 1 1 219 219 LEU N N 15 24.86 0.94 . . . . 873 LEU N 50454 1 199 . 1 1 220 220 SER N N 15 29.69 0.47 . . . . 874 SER N 50454 1 200 . 1 1 221 221 GLN N N 15 26.07 0.29 . . . . 875 GLN N 50454 1 201 . 1 1 222 222 GLY N N 15 23.10 0.52 . . . . 876 GLY N 50454 1 202 . 1 1 225 225 ILE N N 15 26.11 1.22 . . . . 879 ILE N 50454 1 203 . 1 1 226 226 ALA N N 15 24.44 0.32 . . . . 880 ALA N 50454 1 204 . 1 1 229 229 GLU N N 15 25.73 0.48 . . . . 883 GLU N 50454 1 205 . 1 1 230 230 ALA N N 15 23.29 0.38 . . . . 884 ALA N 50454 1 206 . 1 1 232 232 VAL N N 15 19.21 0.78 . . . . 886 VAL N 50454 1 207 . 1 1 233 233 THR N N 15 23.37 1.50 . . . . 887 THR N 50454 1 208 . 1 1 234 234 GLY N N 15 24.18 0.63 . . . . 888 GLY N 50454 1 209 . 1 1 235 235 TYR N N 15 25.48 0.77 . . . . 889 TYR N 50454 1 210 . 1 1 236 236 MET N N 15 16.68 2.61 . . . . 890 MET N 50454 1 211 . 1 1 237 237 PHE N N 15 25.25 1.32 . . . . 891 PHE N 50454 1 212 . 1 1 238 238 GLY N N 15 25.20 1.08 . . . . 892 GLY N 50454 1 213 . 1 1 239 239 LYS N N 15 26.66 1.43 . . . . 893 LYS N 50454 1 214 . 1 1 240 240 GLY N N 15 33.00 1.11 . . . . 894 GLY N 50454 1 215 . 1 1 241 241 ILE N N 15 24.65 0.56 . . . . 895 ILE N 50454 1 216 . 1 1 242 242 TYR N N 15 21.60 1.45 . . . . 896 TYR N 50454 1 217 . 1 1 243 243 PHE N N 15 25.58 12.10 . . . . 897 PHE N 50454 1 218 . 1 1 244 244 ALA N N 15 21.14 1.11 . . . . 898 ALA N 50454 1 219 . 1 1 245 245 ASP N N 15 23.86 0.98 . . . . 899 ASP N 50454 1 220 . 1 1 246 246 MET N N 15 29.22 0.60 . . . . 900 MET N 50454 1 221 . 1 1 247 247 VAL N N 15 24.73 1.12 . . . . 901 VAL N 50454 1 222 . 1 1 248 248 SER N N 15 22.08 1.48 . . . . 902 SER N 50454 1 223 . 1 1 249 249 LYS N N 15 18.84 1.46 . . . . 903 LYS N 50454 1 224 . 1 1 251 251 ALA N N 15 27.43 0.72 . . . . 905 ALA N 50454 1 225 . 1 1 252 252 ASN N N 15 23.57 0.80 . . . . 906 ASN N 50454 1 226 . 1 1 253 253 TYR N N 15 24.03 2.47 . . . . 907 TYR N 50454 1 227 . 1 1 255 255 HIS N N 15 25.25 1.46 . . . . 909 HIS N 50454 1 228 . 1 1 256 256 THR N N 15 25.11 0.66 . . . . 910 THR N 50454 1 229 . 1 1 257 257 SER N N 15 35.12 1.87 . . . . 911 SER N 50454 1 230 . 1 1 258 258 GLN N N 15 25.49 0.97 . . . . 912 GLN N 50454 1 231 . 1 1 259 259 GLY N N 15 26.57 0.44 . . . . 913 GLY N 50454 1 232 . 1 1 260 260 ASP N N 15 29.52 0.33 . . . . 914 ASP N 50454 1 233 . 1 1 262 262 ILE N N 15 26.11 0.36 . . . . 916 ILE N 50454 1 234 . 1 1 263 263 GLY N N 15 24.41 1.25 . . . . 917 GLY N 50454 1 235 . 1 1 264 264 LEU N N 15 24.48 1.34 . . . . 918 LEU N 50454 1 236 . 1 1 265 265 ILE N N 15 28.77 0.76 . . . . 919 ILE N 50454 1 237 . 1 1 267 267 LEU N N 15 25.96 0.28 . . . . 921 LEU N 50454 1 238 . 1 1 268 268 GLY N N 15 25.43 0.87 . . . . 922 GLY N 50454 1 239 . 1 1 269 269 GLU N N 15 22.93 0.66 . . . . 923 GLU N 50454 1 240 . 1 1 270 270 VAL N N 15 24.93 0.49 . . . . 924 VAL N 50454 1 241 . 1 1 271 271 ALA N N 15 25.19 1.47 . . . . 925 ALA N 50454 1 242 . 1 1 272 272 LEU N N 15 24.31 0.39 . . . . 926 LEU N 50454 1 243 . 1 1 273 273 GLY N N 15 23.98 0.30 . . . . 927 GLY N 50454 1 244 . 1 1 274 274 ASN N N 15 26.48 1.25 . . . . 928 ASN N 50454 1 245 . 1 1 275 275 MET N N 15 25.90 0.32 . . . . 929 MET N 50454 1 246 . 1 1 276 276 TYR N N 15 23.88 0.77 . . . . 930 TYR N 50454 1 247 . 1 1 277 277 GLU N N 15 26.50 0.78 . . . . 931 GLU N 50454 1 248 . 1 1 278 278 LEU N N 15 16.65 1.65 . . . . 932 LEU N 50454 1 249 . 1 1 279 279 LYS N N 15 32.89 2.36 . . . . 933 LYS N 50454 1 250 . 1 1 280 280 HIS N N 15 28.46 0.93 . . . . 934 HIS N 50454 1 251 . 1 1 281 281 ALA N N 15 30.74 2.16 . . . . 935 ALA N 50454 1 252 . 1 1 282 282 SER N N 15 26.05 1.61 . . . . 936 SER N 50454 1 253 . 1 1 284 284 ILE N N 15 30.71 0.69 . . . . 938 ILE N 50454 1 254 . 1 1 285 285 SER N N 15 22.55 0.97 . . . . 939 SER N 50454 1 255 . 1 1 286 286 LYS N N 15 40.88 2.90 . . . . 940 LYS N 50454 1 256 . 1 1 287 287 LEU N N 15 29.58 1.23 . . . . 941 LEU N 50454 1 257 . 1 1 289 289 LYS N N 15 24.81 0.84 . . . . 943 LYS N 50454 1 258 . 1 1 290 290 GLY N N 15 17.39 4.04 . . . . 944 GLY N 50454 1 259 . 1 1 291 291 LYS N N 15 26.10 0.21 . . . . 945 LYS N 50454 1 260 . 1 1 292 292 HIS N N 15 27.56 0.41 . . . . 946 HIS N 50454 1 261 . 1 1 293 293 SER N N 15 25.27 0.40 . . . . 947 SER N 50454 1 262 . 1 1 294 294 VAL N N 15 25.16 0.60 . . . . 948 VAL N 50454 1 263 . 1 1 295 295 LYS N N 15 21.09 1.36 . . . . 949 LYS N 50454 1 264 . 1 1 296 296 GLY N N 15 26.78 1.68 . . . . 950 GLY N 50454 1 265 . 1 1 297 297 LEU N N 15 22.97 0.37 . . . . 951 LEU N 50454 1 266 . 1 1 298 298 GLY N N 15 28.24 1.34 . . . . 952 GLY N 50454 1 267 . 1 1 299 299 LYS N N 15 23.88 0.48 . . . . 953 LYS N 50454 1 268 . 1 1 300 300 THR N N 15 25.20 0.68 . . . . 954 THR N 50454 1 269 . 1 1 301 301 THR N N 15 25.61 0.35 . . . . 955 THR N 50454 1 270 . 1 1 303 303 ASP N N 15 23.65 1.41 . . . . 957 ASP N 50454 1 271 . 1 1 305 305 SER N N 15 26.27 0.51 . . . . 959 SER N 50454 1 272 . 1 1 306 306 ALA N N 15 22.44 0.90 . . . . 960 ALA N 50454 1 273 . 1 1 307 307 ASN N N 15 29.98 1.03 . . . . 961 ASN N 50454 1 274 . 1 1 308 308 ILE N N 15 24.81 0.80 . . . . 962 ILE N 50454 1 275 . 1 1 309 309 SER N N 15 30.44 0.70 . . . . 963 SER N 50454 1 276 . 1 1 310 310 LEU N N 15 26.07 0.33 . . . . 964 LEU N 50454 1 277 . 1 1 311 311 ASP N N 15 26.32 0.82 . . . . 965 ASP N 50454 1 278 . 1 1 312 312 GLY N N 15 29.04 0.31 . . . . 966 GLY N 50454 1 279 . 1 1 313 313 VAL N N 15 25.97 0.52 . . . . 967 VAL N 50454 1 280 . 1 1 314 314 ASP N N 15 25.35 0.70 . . . . 968 ASP N 50454 1 281 . 1 1 315 315 VAL N N 15 25.83 0.50 . . . . 969 VAL N 50454 1 282 . 1 1 317 317 LEU N N 15 31.94 1.75 . . . . 971 LEU N 50454 1 283 . 1 1 318 318 GLY N N 15 26.04 0.45 . . . . 972 GLY N 50454 1 284 . 1 1 319 319 THR N N 15 23.98 0.82 . . . . 973 THR N 50454 1 285 . 1 1 320 320 GLY N N 15 25.26 0.40 . . . . 974 GLY N 50454 1 286 . 1 1 321 321 ILE N N 15 27.18 0.52 . . . . 975 ILE N 50454 1 287 . 1 1 322 322 SER N N 15 27.26 0.53 . . . . 976 SER N 50454 1 288 . 1 1 323 323 SER N N 15 26.04 0.33 . . . . 977 SER N 50454 1 289 . 1 1 324 324 GLY N N 15 26.89 0.35 . . . . 978 GLY N 50454 1 290 . 1 1 325 325 VAL N N 15 24.87 0.44 . . . . 979 VAL N 50454 1 291 . 1 1 326 326 ASN N N 15 34.44 6.82 . . . . 980 ASN N 50454 1 292 . 1 1 327 327 ASP N N 15 33.24 0.55 . . . . 981 ASP N 50454 1 293 . 1 1 328 328 THR N N 15 34.95 0.28 . . . . 982 THR N 50454 1 294 . 1 1 329 329 SER N N 15 27.26 0.93 . . . . 983 SER N 50454 1 295 . 1 1 330 330 LEU N N 15 24.69 0.88 . . . . 984 LEU N 50454 1 296 . 1 1 331 331 LEU N N 15 25.62 1.39 . . . . 985 LEU N 50454 1 297 . 1 1 332 332 TYR N N 15 24.69 1.19 . . . . 986 TYR N 50454 1 298 . 1 1 333 333 ASN N N 15 27.82 1.56 . . . . 987 ASN N 50454 1 299 . 1 1 334 334 GLU N N 15 24.14 0.82 . . . . 988 GLU N 50454 1 300 . 1 1 335 335 TYR N N 15 23.25 0.93 . . . . 989 TYR N 50454 1 301 . 1 1 336 336 ILE N N 15 23.26 0.73 . . . . 990 ILE N 50454 1 302 . 1 1 337 337 VAL N N 15 31.41 1.89 . . . . 991 VAL N 50454 1 303 . 1 1 338 338 TYR N N 15 26.29 2.18 . . . . 992 TYR N 50454 1 304 . 1 1 339 339 ASP N N 15 26.58 0.62 . . . . 993 ASP N 50454 1 305 . 1 1 340 340 ILE N N 15 27.58 0.54 . . . . 994 ILE N 50454 1 306 . 1 1 341 341 ALA N N 15 23.05 0.16 . . . . 995 ALA N 50454 1 307 . 1 1 342 342 GLN N N 15 24.56 0.51 . . . . 996 GLN N 50454 1 308 . 1 1 343 343 VAL N N 15 26.31 0.25 . . . . 997 VAL N 50454 1 309 . 1 1 344 344 ASN N N 15 25.98 0.39 . . . . 998 ASN N 50454 1 310 . 1 1 345 345 LEU N N 15 25.85 0.89 . . . . 999 LEU N 50454 1 311 . 1 1 346 346 LYS N N 15 24.02 0.67 . . . . 1000 LYS N 50454 1 312 . 1 1 347 347 TYR N N 15 24.34 0.67 . . . . 1001 TYR N 50454 1 313 . 1 1 348 348 LEU N N 15 24.53 0.91 . . . . 1002 LEU N 50454 1 314 . 1 1 349 349 LEU N N 15 22.98 0.75 . . . . 1003 LEU N 50454 1 315 . 1 1 350 350 LYS N N 15 25.62 1.17 . . . . 1004 LYS N 50454 1 316 . 1 1 351 351 LEU N N 15 26.22 0.35 . . . . 1005 LEU N 50454 1 317 . 1 1 352 352 LYS N N 15 25.71 0.92 . . . . 1006 LYS N 50454 1 318 . 1 1 353 353 PHE N N 15 26.60 1.42 . . . . 1007 PHE N 50454 1 319 . 1 1 354 354 ASN N N 15 26.34 0.58 . . . . 1008 ASN N 50454 1 320 . 1 1 355 355 PHE N N 15 42.12 1.06 . . . . 1009 PHE N 50454 1 321 . 1 1 356 356 LYS N N 15 34.62 0.68 . . . . 1010 LYS N 50454 1 322 . 1 1 357 357 THR N N 15 79.13 1.76 . . . . 1011 THR N 50454 1 323 . 1 1 358 358 SER N N 15 165.49 4.40 . . . . 1012 SER N 50454 1 324 . 1 1 359 359 LEU N N 15 231.04 6.55 . . . . 1013 LEU N 50454 1 325 . 1 1 360 360 TRP N N 15 351.51 7.26 . . . . 1014 TRP N 50454 1 stop_ save_