data_nef_c15718_2k2o save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 918 ILE start . . 2 A 919 ASP middle . . 3 A 920 PRO middle . false 4 A 921 PHE middle . . 5 A 922 THR middle . . 6 A 923 ALA middle . . 7 A 924 ASP middle . . 8 A 925 ALA middle . . 9 A 926 GLY middle . false 10 A 927 HIS middle . . 11 A 928 THR middle . . 12 A 929 GLU middle . . 13 A 930 PHE middle . . 14 A 931 THR middle . . 15 A 932 ASP middle . . 16 A 933 GLU middle . . 17 A 934 VAL middle . . 18 A 935 TYR middle . . 19 A 936 GLN middle . . 20 A 937 ASN middle . . 21 A 938 GLU middle . . 22 A 939 SER middle . . 23 A 940 ARG middle . . 24 A 941 TYR middle . . 25 A 942 PRO middle . false 26 A 943 GLY middle . false 27 A 944 GLY middle . false 28 A 945 ASP middle . . 29 A 946 TRP middle . . 30 A 947 LYS middle . . 31 A 948 PRO middle . false 32 A 949 ALA middle . . 33 A 950 GLU middle . . 34 A 951 ASP middle . . 35 A 952 THR middle . . 36 A 953 TYR middle . . 37 A 954 THR middle . . 38 A 955 ASP middle . . 39 A 956 ALA middle . . 40 A 957 ASN middle . . 41 A 958 GLY middle . false 42 A 959 ASP middle . . 43 A 960 LYS middle . . 44 A 961 ALA middle . . 45 A 962 ALA middle . . 46 A 963 SER middle . . 47 A 964 PRO middle . false 48 A 965 SER middle . . 49 A 966 GLU middle . . 50 A 967 LEU middle . . 51 A 968 THR middle . . 52 A 969 CYS middle . . 53 A 970 PRO middle . false 54 A 971 PRO middle . false 55 A 972 GLY middle . false 56 A 973 TRP middle . . 57 A 974 GLU middle . . 58 A 975 TRP middle . . 59 A 976 GLU middle . . 60 A 977 ASP middle . . 61 A 978 ASP middle . . 62 A 979 ALA middle . . 63 A 980 TRP middle . . 64 A 981 SER middle . . 65 A 982 TYR middle . . 66 A 983 ASP middle . . 67 A 984 ILE middle . . 68 A 985 ASN middle . . 69 A 986 ARG middle . . 70 A 987 ALA middle . . 71 A 988 VAL middle . . 72 A 989 ASP middle . . 73 A 990 GLU middle . . 74 A 991 LYS middle . . 75 A 992 GLY middle . false 76 A 993 TRP middle . . 77 A 994 GLU middle . . 78 A 995 TYR middle . . 79 A 996 GLY middle . false 80 A 997 ILE middle . . 81 A 998 THR middle . . 82 A 999 ILE middle . . 83 A 1000 PRO middle . false 84 A 1001 PRO middle . true 85 A 1002 ASP middle . . 86 A 1003 HIS middle . . 87 A 1004 LYS middle . . 88 A 1005 PRO middle . false 89 A 1006 LYS middle . . 90 A 1007 SER middle . . 91 A 1008 TRP middle . . 92 A 1009 VAL middle . . 93 A 1010 ALA middle . . 94 A 1011 ALA middle . . 95 A 1012 GLU middle . . 96 A 1013 LYS middle . . 97 A 1014 MET middle . . 98 A 1015 TYR middle . . 99 A 1016 HIS middle . . 100 A 1017 THR middle . . 101 A 1018 HIS middle . . 102 A 1019 ARG middle . . 103 A 1020 ARG middle . . 104 A 1021 ARG middle . . 105 A 1022 ARG middle . . 106 A 1023 LEU middle . . 107 A 1024 VAL middle . . 108 A 1025 ARG middle . . 109 A 1026 LYS middle . . 110 A 1027 ARG middle . . 111 A 1028 LYS middle . . 112 A 1029 LYS middle . . 113 A 1030 ASP middle . . 114 A 1031 LEU middle . . 115 A 1032 THR middle . . 116 A 1033 GLN middle . . 117 A 1034 THR middle . . 118 A 1035 ALA middle . . 119 A 1036 SER middle . . 120 A 1037 SER middle . . 121 A 1038 THR middle . . 122 A 1039 ALA middle . . 123 A 1040 ARG end . . stop_ save_ save_Chemical_Shift_List _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Chemical_Shift_List loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 918 ILE HA H 1 4.180 0.006 A 918 ILE HB H 1 1.800 0.006 A 918 ILE HD1% H 1 0.834 0.004 A 918 ILE HG1x H 1 1.144 0.003 A 918 ILE HG1y H 1 1.415 0.003 A 918 ILE HG2% H 1 0.866 0.011 A 918 ILE C C 13 175.807 0.010 A 918 ILE CA C 13 61.169 0.011 A 918 ILE CB C 13 39.090 0.014 A 918 ILE CD1 C 13 13.144 0.4 A 918 ILE CG1 C 13 27.388 0.4 A 918 ILE CG2 C 13 17.672 0.4 A 919 ASP H H 1 8.405 0.006 A 919 ASP HA H 1 4.860 0.003 A 919 ASP HBx H 1 2.537 0.006 A 919 ASP HBy H 1 2.736 0.006 A 919 ASP C C 13 174.884 0.4 A 919 ASP CA C 13 52.250 0.001 A 919 ASP CB C 13 41.580 0.059 A 919 ASP N N 15 126.335 0.031 A 920 PRO HA H 1 4.316 0.006 A 920 PRO HBx H 1 1.632 0.017 A 920 PRO HBy H 1 2.141 0.005 A 920 PRO HDx H 1 3.730 0.006 A 920 PRO HDy H 1 3.854 0.005 A 920 PRO HGx H 1 1.729 0.010 A 920 PRO HGy H 1 1.895 0.006 A 920 PRO C C 13 176.990 0.002 A 920 PRO CA C 13 63.634 0.036 A 920 PRO CB C 13 32.132 0.032 A 920 PRO CD C 13 50.945 0.005 A 920 PRO CG C 13 27.078 0.012 A 921 PHE H H 1 8.226 0.015 A 921 PHE HA H 1 4.603 0.010 A 921 PHE HBx H 1 3.078 0.009 A 921 PHE HBy H 1 3.166 0.008 A 921 PHE HDx H 1 7.268 0.016 A 921 PHE HDy H 1 7.268 0.016 A 921 PHE HEx H 1 7.313 0.003 A 921 PHE HEy H 1 7.313 0.003 A 921 PHE C C 13 176.229 0.004 A 921 PHE CA C 13 58.168 0.049 A 921 PHE CB C 13 39.136 0.026 A 921 PHE CDx C 13 131.831 0.109 A 921 PHE CDy C 13 131.831 0.109 A 921 PHE CEx C 13 131.469 0.003 A 921 PHE CEy C 13 131.469 0.003 A 921 PHE N N 15 119.092 0.132 A 922 THR H H 1 7.755 0.012 A 922 THR HA H 1 4.263 0.005 A 922 THR HB H 1 4.170 0.008 A 922 THR HG2% H 1 1.166 0.008 A 922 THR C C 13 174.315 0.011 A 922 THR CA C 13 61.909 0.096 A 922 THR CB C 13 69.945 0.089 A 922 THR CG2 C 13 21.679 0.010 A 922 THR N N 15 115.191 0.132 A 923 ALA H H 1 8.153 0.015 A 923 ALA HA H 1 4.220 0.008 A 923 ALA HB% H 1 1.363 0.012 A 923 ALA C C 13 177.468 0.005 A 923 ALA CA C 13 53.035 0.043 A 923 ALA CB C 13 19.252 0.073 A 923 ALA N N 15 126.537 0.144 A 924 ASP H H 1 8.128 0.021 A 924 ASP HA H 1 4.442 0.006 A 924 ASP HBx H 1 2.464 0.023 A 924 ASP HBy H 1 2.575 0.012 A 924 ASP C C 13 176.308 0.022 A 924 ASP CA C 13 54.275 0.058 A 924 ASP CB C 13 41.204 0.011 A 924 ASP N N 15 119.016 0.152 A 925 ALA H H 1 8.084 0.018 A 925 ALA HA H 1 4.228 0.006 A 925 ALA HB% H 1 1.359 0.010 A 925 ALA C C 13 178.507 0.020 A 925 ALA CA C 13 53.183 0.062 A 925 ALA CB C 13 19.181 0.086 A 925 ALA N N 15 124.593 0.130 A 926 GLY H H 1 8.416 0.020 A 926 GLY HAx H 1 3.891 0.005 A 926 GLY HAy H 1 3.896 0.006 A 926 GLY C C 13 174.123 0.015 A 926 GLY CA C 13 45.532 0.052 A 926 GLY N N 15 107.549 0.168 A 927 HIS H H 1 8.049 0.013 A 927 HIS HA H 1 4.950 0.015 A 927 HIS HBx H 1 3.225 0.006 A 927 HIS HBy H 1 3.420 0.010 A 927 HIS HD2 H 1 7.220 0.007 A 927 HIS HE1 H 1 8.366 0.000 A 927 HIS C C 13 175.212 0.4 A 927 HIS CA C 13 55.900 0.038 A 927 HIS CB C 13 30.671 0.073 A 927 HIS CD2 C 13 119.975 0.006 A 927 HIS CE1 C 13 137.170 0.002 A 927 HIS N N 15 118.299 0.082 A 928 THR H H 1 8.571 0.008 A 928 THR HA H 1 4.283 0.011 A 928 THR HB H 1 4.179 0.013 A 928 THR HG2% H 1 1.152 0.011 A 928 THR C C 13 173.194 0.4 A 928 THR CA C 13 62.045 0.131 A 928 THR CB C 13 70.010 0.008 A 928 THR CG2 C 13 21.729 0.033 A 928 THR N N 15 113.438 0.025 A 929 GLU H H 1 8.156 0.009 A 929 GLU HA H 1 5.524 0.015 A 929 GLU HBx H 1 2.018 0.018 A 929 GLU HBy H 1 2.078 0.005 A 929 GLU HGx H 1 2.260 0.010 A 929 GLU HGy H 1 2.266 0.009 A 929 GLU C C 13 174.803 0.010 A 929 GLU CA C 13 55.288 0.043 A 929 GLU CB C 13 34.141 0.028 A 929 GLU CG C 13 36.371 0.017 A 929 GLU N N 15 121.398 0.066 A 930 PHE H H 1 9.059 0.009 A 930 PHE HA H 1 4.514 0.010 A 930 PHE HBx H 1 2.293 0.014 A 930 PHE HBy H 1 2.852 0.008 A 930 PHE HDx H 1 6.909 0.020 A 930 PHE HDy H 1 6.909 0.020 A 930 PHE HEx H 1 7.264 0.009 A 930 PHE HEy H 1 7.264 0.009 A 930 PHE C C 13 173.140 0.007 A 930 PHE CA C 13 58.844 0.069 A 930 PHE CB C 13 44.498 0.030 A 930 PHE CDx C 13 131.906 0.026 A 930 PHE CDy C 13 131.906 0.026 A 930 PHE CEx C 13 131.915 0.005 A 930 PHE CEy C 13 131.915 0.005 A 930 PHE N N 15 123.347 0.060 A 931 THR H H 1 7.565 0.014 A 931 THR HA H 1 4.494 0.009 A 931 THR HB H 1 3.682 0.008 A 931 THR HG2% H 1 0.960 0.010 A 931 THR C C 13 172.932 0.027 A 931 THR CA C 13 62.303 0.031 A 931 THR CB C 13 69.449 0.080 A 931 THR CG2 C 13 21.801 0.017 A 931 THR N N 15 123.455 0.153 A 932 ASP H H 1 8.520 0.012 A 932 ASP HA H 1 4.956 0.006 A 932 ASP HBx H 1 2.761 0.012 A 932 ASP HBy H 1 2.925 0.011 A 932 ASP C C 13 174.476 0.013 A 932 ASP CA C 13 54.942 0.047 A 932 ASP CB C 13 43.855 0.013 A 932 ASP N N 15 129.242 0.136 A 933 GLU H H 1 8.371 0.016 A 933 GLU HA H 1 6.242 0.012 A 933 GLU HBx H 1 1.655 0.009 A 933 GLU HBy H 1 1.847 0.007 A 933 GLU HGx H 1 2.091 0.009 A 933 GLU HGy H 1 2.572 0.015 A 933 GLU C C 13 175.034 0.010 A 933 GLU CA C 13 53.251 0.032 A 933 GLU CB C 13 34.369 0.075 A 933 GLU CG C 13 34.476 0.028 A 933 GLU N N 15 113.473 0.136 A 934 VAL H H 1 8.863 0.014 A 934 VAL HA H 1 4.281 0.007 A 934 VAL HB H 1 1.884 0.011 A 934 VAL HGx% H 1 0.279 0.007 A 934 VAL HGy% H 1 0.903 0.008 A 934 VAL C C 13 171.424 0.015 A 934 VAL CA C 13 61.917 0.075 A 934 VAL CB C 13 34.837 0.015 A 934 VAL CGx C 13 20.340 0.010 A 934 VAL CGy C 13 22.304 0.007 A 934 VAL N N 15 120.817 0.135 A 935 TYR H H 1 9.273 0.015 A 935 TYR HA H 1 5.240 0.015 A 935 TYR HBx H 1 2.083 0.012 A 935 TYR HBy H 1 2.830 0.011 A 935 TYR HDx H 1 6.460 0.014 A 935 TYR HDy H 1 6.460 0.014 A 935 TYR HEx H 1 6.454 0.009 A 935 TYR HEy H 1 6.454 0.009 A 935 TYR C C 13 174.881 0.013 A 935 TYR CA C 13 57.270 0.032 A 935 TYR CB C 13 39.012 0.016 A 935 TYR CDx C 13 131.825 0.042 A 935 TYR CDy C 13 131.825 0.042 A 935 TYR CEx C 13 117.252 0.004 A 935 TYR CEy C 13 117.252 0.004 A 935 TYR N N 15 123.324 0.153 A 936 GLN H H 1 9.030 0.014 A 936 GLN HA H 1 4.643 0.007 A 936 GLN HBx H 1 1.763 0.010 A 936 GLN HBy H 1 1.941 0.015 A 936 GLN HE21 H 1 7.090 0.003 A 936 GLN HE22 H 1 7.506 0.003 A 936 GLN HGx H 1 2.082 0.013 A 936 GLN HGy H 1 2.084 0.013 A 936 GLN C C 13 175.528 0.003 A 936 GLN CA C 13 54.451 0.028 A 936 GLN CB C 13 31.734 0.043 A 936 GLN CG C 13 34.048 0.004 A 936 GLN N N 15 124.452 0.142 A 936 GLN NE2 N 15 111.950 0.088 A 937 ASN H H 1 9.190 0.016 A 937 ASN HA H 1 5.688 0.011 A 937 ASN HBx H 1 2.487 0.007 A 937 ASN HBy H 1 2.990 0.015 A 937 ASN HD21 H 1 6.704 0.005 A 937 ASN HD22 H 1 6.704 0.005 A 937 ASN C C 13 174.637 0.025 A 937 ASN CA C 13 53.782 0.025 A 937 ASN CB C 13 43.554 0.032 A 937 ASN N N 15 123.647 0.152 A 937 ASN ND2 N 15 116.951 0.1 A 938 GLU H H 1 9.232 0.013 A 938 GLU HA H 1 5.012 0.008 A 938 GLU HBx H 1 1.027 0.005 A 938 GLU HBy H 1 1.871 0.008 A 938 GLU HGx H 1 1.874 0.011 A 938 GLU HGy H 1 1.980 0.006 A 938 GLU C C 13 174.592 0.011 A 938 GLU CA C 13 55.132 0.015 A 938 GLU CB C 13 35.655 0.002 A 938 GLU CG C 13 37.025 0.036 A 938 GLU N N 15 121.609 0.135 A 939 SER H H 1 9.490 0.013 A 939 SER HA H 1 5.600 0.012 A 939 SER HBx H 1 3.639 0.012 A 939 SER HBy H 1 3.750 0.015 A 939 SER C C 13 172.551 0.029 A 939 SER CA C 13 56.880 0.037 A 939 SER CB C 13 67.187 0.058 A 939 SER N N 15 114.765 0.144 A 940 ARG H H 1 8.457 0.019 A 940 ARG HA H 1 4.504 0.007 A 940 ARG HBx H 1 0.715 0.011 A 940 ARG HBy H 1 0.816 0.013 A 940 ARG HDx H 1 0.307 0.014 A 940 ARG HDy H 1 2.064 0.007 A 940 ARG HE H 1 6.011 0.005 A 940 ARG HGx H 1 0.077 0.005 A 940 ARG HGy H 1 0.335 0.010 A 940 ARG C C 13 175.543 0.013 A 940 ARG CA C 13 54.853 0.023 A 940 ARG CB C 13 33.087 0.008 A 940 ARG CD C 13 45.181 7.383 A 940 ARG CG C 13 24.468 0.004 A 940 ARG N N 15 117.285 0.174 A 940 ARG NE N 15 85.623 0.1 A 941 TYR H H 1 7.677 0.013 A 941 TYR HA H 1 4.859 0.009 A 941 TYR HBx H 1 2.796 0.011 A 941 TYR HBy H 1 2.932 0.008 A 941 TYR HDx H 1 7.101 0.005 A 941 TYR HDy H 1 7.101 0.005 A 941 TYR HEx H 1 6.784 0.005 A 941 TYR HEy H 1 6.784 0.005 A 941 TYR C C 13 173.845 0.4 A 941 TYR CA C 13 55.218 0.014 A 941 TYR CB C 13 37.544 0.007 A 941 TYR CDx C 13 133.662 0.022 A 941 TYR CDy C 13 133.662 0.022 A 941 TYR CEx C 13 118.127 0.028 A 941 TYR CEy C 13 118.127 0.028 A 941 TYR N N 15 121.006 0.152 A 942 PRO HA H 1 4.029 0.005 A 942 PRO HBx H 1 1.811 0.012 A 942 PRO HBy H 1 2.236 0.007 A 942 PRO HDx H 1 3.380 0.003 A 942 PRO HDy H 1 3.758 0.005 A 942 PRO HGx H 1 1.818 0.004 A 942 PRO HGy H 1 2.095 0.008 A 942 PRO C C 13 178.006 0.001 A 942 PRO CA C 13 65.022 0.037 A 942 PRO CB C 13 31.530 0.003 A 942 PRO CD C 13 50.344 0.001 A 942 PRO CG C 13 28.413 0.009 A 943 GLY H H 1 8.445 0.016 A 943 GLY HAx H 1 3.595 0.007 A 943 GLY HAy H 1 4.115 0.011 A 943 GLY C C 13 174.579 0.018 A 943 GLY CA C 13 45.644 0.049 A 943 GLY N N 15 113.505 0.140 A 944 GLY H H 1 8.400 0.017 A 944 GLY HAx H 1 3.265 0.006 A 944 GLY HAy H 1 4.223 0.007 A 944 GLY C C 13 172.622 0.022 A 944 GLY CA C 13 43.727 0.019 A 944 GLY N N 15 109.695 0.146 A 945 ASP H H 1 8.051 0.016 A 945 ASP HA H 1 4.526 0.012 A 945 ASP HBx H 1 2.337 0.007 A 945 ASP HBy H 1 2.576 0.007 A 945 ASP C C 13 175.909 0.011 A 945 ASP CA C 13 53.127 0.021 A 945 ASP CB C 13 42.340 0.012 A 945 ASP N N 15 118.362 0.046 A 946 TRP H H 1 7.895 0.013 A 946 TRP HA H 1 4.217 0.006 A 946 TRP HBx H 1 2.617 0.009 A 946 TRP HBy H 1 3.064 0.008 A 946 TRP HD1 H 1 7.152 0.007 A 946 TRP HE1 H 1 10.272 0.002 A 946 TRP HE3 H 1 6.852 0.011 A 946 TRP HH2 H 1 6.798 0.008 A 946 TRP HZ2 H 1 7.272 0.003 A 946 TRP HZ3 H 1 6.492 0.005 A 946 TRP C C 13 176.801 0.010 A 946 TRP CA C 13 57.919 0.037 A 946 TRP CB C 13 30.183 0.009 A 946 TRP CD1 C 13 128.302 0.4 A 946 TRP CE3 C 13 119.382 0.061 A 946 TRP CH2 C 13 122.410 0.4 A 946 TRP CZ2 C 13 114.005 0.014 A 946 TRP CZ3 C 13 122.206 0.012 A 946 TRP N N 15 121.719 0.048 A 946 TRP NE1 N 15 130.803 0.009 A 947 LYS H H 1 8.933 0.015 A 947 LYS HA H 1 4.912 0.004 A 947 LYS HBx H 1 1.718 0.005 A 947 LYS HBy H 1 1.813 0.004 A 947 LYS HDx H 1 1.626 0.005 A 947 LYS HDy H 1 1.699 0.012 A 947 LYS HE2 H 1 2.951 0.007 A 947 LYS HE3 H 1 2.949 0.010 A 947 LYS HGx H 1 1.426 0.007 A 947 LYS HGy H 1 1.427 0.007 A 947 LYS C C 13 172.875 0.4 A 947 LYS CA C 13 53.460 0.006 A 947 LYS CB C 13 34.090 0.003 A 947 LYS CD C 13 28.812 0.4 A 947 LYS CE C 13 41.901 0.4 A 947 LYS CG C 13 23.855 0.014 A 947 LYS N N 15 124.029 0.144 A 948 PRO HA H 1 4.456 0.008 A 948 PRO HBx H 1 1.874 0.009 A 948 PRO HBy H 1 2.434 0.005 A 948 PRO HDx H 1 3.580 0.006 A 948 PRO HDy H 1 3.872 0.006 A 948 PRO HGx H 1 2.088 0.008 A 948 PRO HGy H 1 2.160 0.009 A 948 PRO C C 13 176.737 0.4 A 948 PRO CA C 13 64.399 0.037 A 948 PRO CB C 13 32.175 0.4 A 948 PRO CD C 13 50.461 0.004 A 948 PRO CG C 13 28.195 0.001 A 949 ALA H H 1 7.955 0.015 A 949 ALA HA H 1 4.252 0.010 A 949 ALA HB% H 1 1.149 0.010 A 949 ALA C C 13 176.779 0.004 A 949 ALA CA C 13 51.430 0.054 A 949 ALA CB C 13 20.360 0.063 A 949 ALA N N 15 126.945 0.160 A 950 GLU H H 1 8.584 0.015 A 950 GLU HA H 1 3.892 0.008 A 950 GLU HBx H 1 1.943 0.016 A 950 GLU HBy H 1 2.021 0.004 A 950 GLU HGx H 1 2.264 0.010 A 950 GLU HGy H 1 2.272 0.005 A 950 GLU C C 13 177.873 0.004 A 950 GLU CA C 13 60.301 0.028 A 950 GLU CB C 13 29.396 0.036 A 950 GLU CG C 13 36.433 0.4 A 950 GLU N N 15 122.131 0.156 A 951 ASP H H 1 7.995 0.020 A 951 ASP HA H 1 5.064 0.006 A 951 ASP HBx H 1 2.251 0.011 A 951 ASP HBy H 1 2.548 0.009 A 951 ASP C C 13 175.205 0.013 A 951 ASP CA C 13 52.823 0.065 A 951 ASP CB C 13 39.673 0.004 A 951 ASP N N 15 116.660 0.142 A 952 THR H H 1 8.110 0.012 A 952 THR HA H 1 3.681 0.007 A 952 THR HB H 1 3.817 0.027 A 952 THR HG2% H 1 0.906 0.009 A 952 THR C C 13 174.457 0.012 A 952 THR CA C 13 67.130 0.066 A 952 THR CB C 13 69.539 0.003 A 952 THR CG2 C 13 23.196 0.006 A 952 THR N N 15 118.874 0.171 A 953 TYR H H 1 8.395 0.015 A 953 TYR HA H 1 5.913 0.008 A 953 TYR HBx H 1 2.582 0.007 A 953 TYR HBy H 1 2.632 0.008 A 953 TYR HDx H 1 7.031 0.012 A 953 TYR HDy H 1 7.031 0.012 A 953 TYR HEx H 1 6.663 0.009 A 953 TYR HEy H 1 6.663 0.009 A 953 TYR C C 13 176.044 0.036 A 953 TYR CA C 13 56.999 0.018 A 953 TYR CB C 13 39.213 0.036 A 953 TYR CDx C 13 133.536 0.234 A 953 TYR CDy C 13 133.536 0.234 A 953 TYR CEx C 13 117.784 0.036 A 953 TYR CEy C 13 117.784 0.036 A 953 TYR N N 15 119.236 0.132 A 954 THR H H 1 9.114 0.013 A 954 THR HA H 1 5.201 0.012 A 954 THR HB H 1 4.136 0.012 A 954 THR HG2% H 1 0.835 0.009 A 954 THR C C 13 173.691 0.4 A 954 THR CA C 13 59.520 0.047 A 954 THR CB C 13 74.765 0.054 A 954 THR CG2 C 13 19.857 0.002 A 954 THR N N 15 112.524 0.154 A 955 ASP H H 1 8.573 0.015 A 955 ASP HA H 1 5.155 0.019 A 955 ASP HBx H 1 2.822 0.008 A 955 ASP HBy H 1 3.393 0.008 A 955 ASP C C 13 179.617 0.019 A 955 ASP CA C 13 52.390 0.021 A 955 ASP CB C 13 42.045 0.016 A 955 ASP N N 15 117.602 0.147 A 956 ALA H H 1 9.016 0.013 A 956 ALA HA H 1 3.049 0.008 A 956 ALA HB% H 1 1.347 0.011 A 956 ALA C C 13 178.596 0.008 A 956 ALA CA C 13 54.758 0.020 A 956 ALA CB C 13 18.659 0.039 A 956 ALA N N 15 121.583 0.139 A 957 ASN H H 1 7.900 0.015 A 957 ASN HA H 1 4.674 0.005 A 957 ASN HB2 H 1 2.897 0.016 A 957 ASN HB3 H 1 2.897 0.016 A 957 ASN HD21 H 1 6.893 0.004 A 957 ASN HD22 H 1 8.031 0.001 A 957 ASN C C 13 175.688 0.011 A 957 ASN CA C 13 53.149 0.010 A 957 ASN CB C 13 39.212 0.066 A 957 ASN N N 15 114.187 0.148 A 957 ASN ND2 N 15 115.356 0.1 A 958 GLY H H 1 7.881 0.017 A 958 GLY HAx H 1 3.498 0.009 A 958 GLY HAy H 1 4.246 0.020 A 958 GLY C C 13 173.516 0.022 A 958 GLY CA C 13 45.255 0.033 A 958 GLY N N 15 107.122 0.154 A 959 ASP H H 1 8.274 0.016 A 959 ASP HA H 1 4.785 0.007 A 959 ASP HBx H 1 2.624 0.009 A 959 ASP HBy H 1 2.907 0.006 A 959 ASP C C 13 175.536 0.005 A 959 ASP CA C 13 54.230 0.022 A 959 ASP CB C 13 41.081 0.034 A 959 ASP N N 15 122.905 0.132 A 960 LYS H H 1 8.496 0.010 A 960 LYS HA H 1 3.946 0.008 A 960 LYS HBx H 1 1.712 0.006 A 960 LYS HBy H 1 1.787 0.002 A 960 LYS HDx H 1 1.690 0.008 A 960 LYS HDy H 1 1.765 0.011 A 960 LYS HE2 H 1 3.071 0.006 A 960 LYS HE3 H 1 3.071 0.006 A 960 LYS HGx H 1 1.397 0.006 A 960 LYS HGy H 1 1.507 0.007 A 960 LYS C C 13 174.859 0.006 A 960 LYS CA C 13 59.076 0.059 A 960 LYS CB C 13 33.050 0.015 A 960 LYS CD C 13 29.531 0.027 A 960 LYS CE C 13 41.932 0.009 A 960 LYS CG C 13 24.912 0.003 A 960 LYS N N 15 122.090 0.035 A 961 ALA H H 1 8.211 0.017 A 961 ALA HA H 1 4.694 0.007 A 961 ALA HB% H 1 1.256 0.009 A 961 ALA C C 13 175.001 0.4 A 961 ALA CA C 13 49.788 0.037 A 961 ALA CB C 13 22.995 0.031 A 961 ALA N N 15 129.892 0.133 A 962 ALA H H 1 7.883 0.008 A 962 ALA HA H 1 4.142 0.006 A 962 ALA HB% H 1 1.246 0.007 A 962 ALA C C 13 175.261 0.018 A 962 ALA CA C 13 51.758 0.045 A 962 ALA CB C 13 19.146 0.056 A 962 ALA N N 15 121.721 0.040 A 963 SER H H 1 7.791 0.017 A 963 SER HA H 1 3.550 0.010 A 963 SER HBx H 1 3.560 0.007 A 963 SER HBy H 1 3.590 0.015 A 963 SER C C 13 173.615 0.4 A 963 SER CA C 13 55.714 0.021 A 963 SER CB C 13 63.136 0.4 A 963 SER N N 15 112.990 0.141 A 964 PRO HA H 1 3.199 0.006 A 964 PRO HBx H 1 0.128 0.010 A 964 PRO HBy H 1 0.812 0.011 A 964 PRO HDx H 1 1.976 0.006 A 964 PRO HDy H 1 2.448 0.009 A 964 PRO HGx H 1 0.465 0.009 A 964 PRO HGy H 1 1.259 0.011 A 964 PRO C C 13 177.913 0.005 A 964 PRO CA C 13 65.299 0.028 A 964 PRO CB C 13 29.839 0.023 A 964 PRO CD C 13 48.621 0.4 A 964 PRO CG C 13 27.328 0.001 A 965 SER H H 1 7.455 0.014 A 965 SER HA H 1 4.152 0.005 A 965 SER HBx H 1 3.780 0.007 A 965 SER HBy H 1 3.786 0.006 A 965 SER C C 13 175.177 0.005 A 965 SER CA C 13 60.565 0.068 A 965 SER CB C 13 62.798 0.062 A 965 SER N N 15 109.343 0.146 A 966 GLU H H 1 7.659 0.003 A 966 GLU HA H 1 4.270 0.003 A 966 GLU HBx H 1 2.043 0.012 A 966 GLU HBy H 1 2.134 0.019 A 966 GLU C C 13 176.664 0.010 A 966 GLU CA C 13 56.309 0.014 A 966 GLU CB C 13 31.688 0.010 A 966 GLU N N 15 120.240 0.034 A 967 LEU H H 1 7.293 0.013 A 967 LEU HA H 1 4.351 0.006 A 967 LEU HBx H 1 1.769 0.014 A 967 LEU HBy H 1 1.843 0.006 A 967 LEU HDx% H 1 0.758 0.007 A 967 LEU HDy% H 1 1.024 0.006 A 967 LEU HG H 1 1.676 0.012 A 967 LEU C C 13 176.842 0.020 A 967 LEU CA C 13 56.157 0.028 A 967 LEU CB C 13 42.503 0.007 A 967 LEU CDy C 13 25.336 0.001 A 967 LEU CDx C 13 24.835 0.4 A 967 LEU CG C 13 27.241 0.4 A 967 LEU N N 15 123.081 0.140 A 968 THR H H 1 8.183 0.018 A 968 THR HA H 1 4.773 0.007 A 968 THR HB H 1 4.245 0.007 A 968 THR HG2% H 1 1.245 0.010 A 968 THR C C 13 174.433 0.018 A 968 THR CA C 13 60.162 0.074 A 968 THR CB C 13 71.178 0.100 A 968 THR CG2 C 13 21.882 0.001 A 968 THR N N 15 116.345 0.134 A 969 CYS H H 1 8.492 0.011 A 969 CYS HA H 1 3.891 0.004 A 969 CYS HBx H 1 1.975 0.009 A 969 CYS HBy H 1 2.235 0.011 A 969 CYS C C 13 173.102 0.4 A 969 CYS CA C 13 58.584 0.002 A 969 CYS CB C 13 26.781 0.009 A 969 CYS N N 15 122.110 0.044 A 970 PRO HA H 1 4.592 0.006 A 970 PRO HBx H 1 1.592 0.011 A 970 PRO HBy H 1 2.223 0.007 A 970 PRO HDx H 1 2.660 0.007 A 970 PRO HDy H 1 3.534 0.010 A 970 PRO HGx H 1 1.138 0.013 A 970 PRO HGy H 1 1.467 0.006 A 970 PRO CA C 13 61.642 0.002 A 970 PRO CB C 13 30.180 0.006 A 970 PRO CD C 13 50.417 0.017 A 970 PRO CG C 13 26.664 0.006 A 971 PRO HA H 1 4.360 0.004 A 971 PRO HBx H 1 1.634 0.000 A 971 PRO HBy H 1 2.145 0.000 A 971 PRO HDx H 1 3.538 0.006 A 971 PRO HDy H 1 3.789 0.033 A 971 PRO HGx H 1 2.003 0.005 A 971 PRO HGy H 1 2.099 0.002 A 971 PRO C C 13 178.309 0.013 A 971 PRO CA C 13 64.046 0.041 A 971 PRO CB C 13 31.886 0.4 A 971 PRO CD C 13 50.354 0.007 A 971 PRO CG C 13 27.790 0.4 A 972 GLY H H 1 8.857 0.017 A 972 GLY HAx H 1 3.610 0.006 A 972 GLY HAy H 1 4.181 0.004 A 972 GLY C C 13 173.581 0.024 A 972 GLY CA C 13 45.351 0.017 A 972 GLY N N 15 112.159 0.132 A 973 TRP H H 1 7.914 0.017 A 973 TRP HA H 1 4.981 0.012 A 973 TRP HBx H 1 2.656 0.009 A 973 TRP HBy H 1 3.002 0.009 A 973 TRP HD1 H 1 7.089 0.018 A 973 TRP HE1 H 1 10.353 0.002 A 973 TRP HE3 H 1 7.005 0.010 A 973 TRP HH2 H 1 6.853 0.015 A 973 TRP HZ2 H 1 7.357 0.007 A 973 TRP HZ3 H 1 6.881 0.011 A 973 TRP C C 13 174.208 0.016 A 973 TRP CA C 13 56.080 0.050 A 973 TRP CB C 13 32.030 0.031 A 973 TRP CD1 C 13 128.474 0.020 A 973 TRP CE3 C 13 118.271 0.011 A 973 TRP CH2 C 13 124.384 0.009 A 973 TRP CZ2 C 13 115.629 0.012 A 973 TRP CZ3 C 13 122.939 0.009 A 973 TRP N N 15 120.090 0.136 A 973 TRP NE1 N 15 132.401 0.007 A 974 GLU H H 1 8.979 0.011 A 974 GLU HA H 1 4.710 0.008 A 974 GLU HBx H 1 1.855 0.009 A 974 GLU HBy H 1 1.950 0.011 A 974 GLU HGx H 1 2.144 0.013 A 974 GLU HGy H 1 2.145 0.013 A 974 GLU C C 13 175.985 0.002 A 974 GLU CA C 13 54.917 0.012 A 974 GLU CB C 13 33.847 0.023 A 974 GLU CG C 13 35.575 0.006 A 974 GLU N N 15 118.019 0.164 A 975 TRP H H 1 8.688 0.015 A 975 TRP HA H 1 4.839 0.013 A 975 TRP HBx H 1 3.007 0.012 A 975 TRP HBy H 1 3.238 0.010 A 975 TRP HD1 H 1 7.229 0.012 A 975 TRP HE1 H 1 10.056 0.003 A 975 TRP HE3 H 1 7.426 0.021 A 975 TRP HH2 H 1 6.840 0.010 A 975 TRP HZ2 H 1 7.197 0.015 A 975 TRP HZ3 H 1 6.832 0.008 A 975 TRP C C 13 177.044 0.012 A 975 TRP CA C 13 57.910 0.058 A 975 TRP CB C 13 30.305 0.027 A 975 TRP CD1 C 13 128.351 0.018 A 975 TRP CE3 C 13 120.565 0.060 A 975 TRP CH2 C 13 123.606 0.004 A 975 TRP CZ2 C 13 113.851 0.007 A 975 TRP CZ3 C 13 122.109 0.037 A 975 TRP N N 15 123.647 0.158 A 975 TRP NE1 N 15 128.932 0.1 A 976 GLU H H 1 9.495 0.011 A 976 GLU HA H 1 4.480 0.007 A 976 GLU HBx H 1 1.768 0.024 A 976 GLU HBy H 1 1.797 0.008 A 976 GLU HGx H 1 2.197 0.020 A 976 GLU HGy H 1 2.205 0.009 A 976 GLU C C 13 176.172 0.023 A 976 GLU CA C 13 56.849 0.013 A 976 GLU CB C 13 31.429 0.110 A 976 GLU CG C 13 35.531 0.003 A 976 GLU N N 15 124.118 0.141 A 977 ASP H H 1 7.068 0.017 A 977 ASP HA H 1 4.783 0.009 A 977 ASP HBx H 1 2.396 0.010 A 977 ASP HBy H 1 2.913 0.008 A 977 ASP C C 13 177.099 0.010 A 977 ASP CA C 13 53.600 0.017 A 977 ASP CB C 13 43.396 0.025 A 977 ASP N N 15 117.194 0.144 A 978 ASP H H 1 8.866 0.012 A 978 ASP HA H 1 4.264 0.005 A 978 ASP HBx H 1 2.638 0.009 A 978 ASP HBy H 1 2.646 0.004 A 978 ASP C C 13 174.305 0.006 A 978 ASP CA C 13 55.488 0.044 A 978 ASP CB C 13 40.831 0.003 A 978 ASP N N 15 123.738 0.158 A 979 ALA H H 1 7.296 0.015 A 979 ALA HA H 1 4.168 0.010 A 979 ALA HB% H 1 1.245 0.008 A 979 ALA C C 13 176.287 0.020 A 979 ALA CA C 13 50.591 0.051 A 979 ALA CB C 13 22.135 0.073 A 979 ALA N N 15 118.895 0.140 A 980 TRP H H 1 8.167 0.019 A 980 TRP HA H 1 4.156 0.008 A 980 TRP HBx H 1 2.784 0.009 A 980 TRP HBy H 1 2.795 0.008 A 980 TRP HD1 H 1 6.964 0.009 A 980 TRP HE1 H 1 9.579 0.001 A 980 TRP HE3 H 1 6.978 0.011 A 980 TRP HH2 H 1 6.831 0.006 A 980 TRP HZ2 H 1 7.184 0.018 A 980 TRP HZ3 H 1 6.676 0.012 A 980 TRP C C 13 176.347 0.002 A 980 TRP CA C 13 58.118 0.036 A 980 TRP CB C 13 29.229 0.002 A 980 TRP CD1 C 13 126.037 0.028 A 980 TRP CE3 C 13 120.181 0.020 A 980 TRP CH2 C 13 124.573 0.012 A 980 TRP CZ2 C 13 114.783 0.014 A 980 TRP CZ3 C 13 122.644 0.004 A 980 TRP N N 15 120.499 0.149 A 980 TRP NE1 N 15 128.016 0.009 A 981 SER H H 1 8.770 0.012 A 981 SER HA H 1 4.640 0.007 A 981 SER HB2 H 1 3.590 0.008 A 981 SER HB3 H 1 3.591 0.008 A 981 SER C C 13 172.971 0.020 A 981 SER CA C 13 56.919 0.021 A 981 SER CB C 13 65.717 0.064 A 981 SER N N 15 117.419 0.119 A 982 TYR H H 1 7.718 0.015 A 982 TYR HA H 1 5.192 0.011 A 982 TYR HBx H 1 2.488 0.007 A 982 TYR HBy H 1 2.622 0.009 A 982 TYR HDx H 1 6.668 0.011 A 982 TYR HDy H 1 6.668 0.011 A 982 TYR HEx H 1 6.575 0.009 A 982 TYR HEy H 1 6.575 0.009 A 982 TYR C C 13 175.749 0.007 A 982 TYR CA C 13 55.691 0.038 A 982 TYR CB C 13 39.874 4.882 A 982 TYR CDx C 13 132.844 0.012 A 982 TYR CDy C 13 132.844 0.012 A 982 TYR CEx C 13 117.883 0.018 A 982 TYR CEy C 13 117.883 0.018 A 982 TYR N N 15 117.240 0.139 A 983 ASP H H 1 8.790 0.015 A 983 ASP HA H 1 4.655 0.006 A 983 ASP HBx H 1 2.340 0.009 A 983 ASP HBy H 1 2.629 0.007 A 983 ASP C C 13 176.359 0.4 A 983 ASP CA C 13 53.162 0.013 A 983 ASP CB C 13 41.976 0.022 A 983 ASP N N 15 122.572 0.140 A 984 ILE H H 1 8.196 0.011 A 984 ILE HA H 1 4.335 0.006 A 984 ILE HB H 1 2.163 0.010 A 984 ILE HD1% H 1 0.831 0.014 A 984 ILE HG1x H 1 1.165 0.006 A 984 ILE HG1y H 1 1.278 0.006 A 984 ILE HG2% H 1 0.850 0.007 A 984 ILE C C 13 176.526 0.4 A 984 ILE CA C 13 60.418 0.013 A 984 ILE CB C 13 37.748 0.002 A 984 ILE CD1 C 13 13.906 0.004 A 984 ILE CG1 C 13 26.910 0.4 A 984 ILE CG2 C 13 18.674 0.014 A 984 ILE N N 15 120.563 0.143 A 985 ASN H H 1 8.383 0.008 A 985 ASN HA H 1 4.998 0.010 A 985 ASN HBx H 1 2.739 0.008 A 985 ASN HBy H 1 2.921 0.010 A 985 ASN HD21 H 1 6.811 0.002 A 985 ASN HD22 H 1 7.581 0.001 A 985 ASN C C 13 175.129 0.009 A 985 ASN CA C 13 52.612 0.014 A 985 ASN CB C 13 37.551 0.013 A 985 ASN N N 15 125.841 0.042 A 985 ASN ND2 N 15 113.629 0.018 A 986 ARG H H 1 7.934 0.014 A 986 ARG HA H 1 4.487 0.005 A 986 ARG HBx H 1 1.576 0.004 A 986 ARG HBy H 1 1.959 0.003 A 986 ARG HDx H 1 3.104 0.006 A 986 ARG HDy H 1 3.113 0.005 A 986 ARG HE H 1 7.234 0.000 A 986 ARG HGx H 1 1.275 0.009 A 986 ARG HGy H 1 1.280 0.008 A 986 ARG C C 13 174.542 0.015 A 986 ARG CA C 13 55.404 0.039 A 986 ARG CB C 13 32.483 0.018 A 986 ARG CD C 13 43.667 0.4 A 986 ARG CG C 13 27.717 0.004 A 986 ARG N N 15 117.091 0.154 A 986 ARG NE N 15 83.984 0.1 A 987 ALA H H 1 8.371 0.007 A 987 ALA HA H 1 4.691 0.009 A 987 ALA HB% H 1 1.366 0.007 A 987 ALA C C 13 174.785 0.016 A 987 ALA CA C 13 51.889 0.066 A 987 ALA CB C 13 16.696 0.072 A 987 ALA N N 15 125.443 0.075 A 988 VAL H H 1 7.447 0.015 A 988 VAL HA H 1 4.893 0.009 A 988 VAL HB H 1 1.884 0.010 A 988 VAL HGx% H 1 0.655 0.007 A 988 VAL HGy% H 1 0.880 0.013 A 988 VAL C C 13 175.870 0.010 A 988 VAL CA C 13 58.411 0.060 A 988 VAL CB C 13 37.433 0.028 A 988 VAL CGx C 13 18.402 0.020 A 988 VAL CGy C 13 23.499 0.010 A 988 VAL N N 15 114.593 0.148 A 989 ASP H H 1 9.357 0.013 A 989 ASP HA H 1 4.790 0.007 A 989 ASP HBx H 1 3.420 0.008 A 989 ASP HBy H 1 3.579 0.008 A 989 ASP C C 13 178.239 0.006 A 989 ASP CA C 13 52.871 0.012 A 989 ASP CB C 13 41.491 0.018 A 989 ASP N N 15 121.938 0.147 A 990 GLU H H 1 8.671 0.016 A 990 GLU HA H 1 4.184 0.007 A 990 GLU HBx H 1 2.159 0.009 A 990 GLU HBy H 1 2.160 0.007 A 990 GLU HGx H 1 2.387 0.007 A 990 GLU HGy H 1 2.390 0.009 A 990 GLU C C 13 177.393 0.009 A 990 GLU CA C 13 59.188 0.021 A 990 GLU CB C 13 29.386 0.030 A 990 GLU CG C 13 36.289 0.4 A 990 GLU N N 15 114.747 0.141 A 991 LYS H H 1 8.047 0.014 A 991 LYS HA H 1 4.311 0.009 A 991 LYS HBx H 1 1.767 0.006 A 991 LYS HBy H 1 1.850 0.004 A 991 LYS HD2 H 1 1.660 0.010 A 991 LYS HD3 H 1 1.659 0.009 A 991 LYS HE2 H 1 3.013 0.007 A 991 LYS HE3 H 1 3.013 0.007 A 991 LYS HGx H 1 1.356 0.003 A 991 LYS HGy H 1 1.481 0.007 A 991 LYS C C 13 174.417 0.013 A 991 LYS CA C 13 54.767 0.028 A 991 LYS CB C 13 32.942 0.024 A 991 LYS CD C 13 28.958 0.4 A 991 LYS CE C 13 42.434 0.008 A 991 LYS CG C 13 25.626 0.007 A 991 LYS N N 15 118.190 0.184 A 992 GLY H H 1 8.077 0.015 A 992 GLY HAx H 1 3.315 0.019 A 992 GLY HAy H 1 3.374 0.009 A 992 GLY C C 13 172.661 0.025 A 992 GLY CA C 13 45.026 0.014 A 992 GLY N N 15 105.677 0.132 A 993 TRP H H 1 7.912 0.015 A 993 TRP HA H 1 4.567 0.008 A 993 TRP HBx H 1 1.981 0.010 A 993 TRP HBy H 1 2.951 0.009 A 993 TRP HD1 H 1 7.227 0.010 A 993 TRP HE1 H 1 9.652 0.003 A 993 TRP HE3 H 1 6.583 0.015 A 993 TRP HH2 H 1 6.470 0.010 A 993 TRP HZ2 H 1 6.916 0.005 A 993 TRP HZ3 H 1 6.522 0.019 A 993 TRP C C 13 175.205 0.012 A 993 TRP CA C 13 56.648 0.026 A 993 TRP CB C 13 31.597 0.046 A 993 TRP CD1 C 13 129.602 0.024 A 993 TRP CE3 C 13 118.831 0.003 A 993 TRP CH2 C 13 123.143 0.005 A 993 TRP CZ2 C 13 114.199 0.003 A 993 TRP CZ3 C 13 120.609 0.006 A 993 TRP N N 15 121.209 0.176 A 993 TRP NE1 N 15 127.890 0.030 A 994 GLU H H 1 8.728 0.014 A 994 GLU HA H 1 5.373 0.010 A 994 GLU HBx H 1 2.069 0.013 A 994 GLU HBy H 1 2.219 0.009 A 994 GLU HGx H 1 1.788 0.011 A 994 GLU HGy H 1 2.070 0.015 A 994 GLU C C 13 175.893 0.025 A 994 GLU CA C 13 53.640 0.026 A 994 GLU CB C 13 32.274 0.006 A 994 GLU CG C 13 34.337 0.001 A 994 GLU N N 15 116.135 0.168 A 995 TYR H H 1 9.679 0.013 A 995 TYR HA H 1 5.063 0.008 A 995 TYR HBx H 1 1.962 0.006 A 995 TYR HBy H 1 1.964 0.008 A 995 TYR HDx H 1 6.759 0.009 A 995 TYR HDy H 1 6.759 0.009 A 995 TYR HEx H 1 6.607 0.014 A 995 TYR HEy H 1 6.607 0.014 A 995 TYR C C 13 176.000 0.002 A 995 TYR CA C 13 59.943 0.028 A 995 TYR CB C 13 42.477 0.001 A 995 TYR CDx C 13 133.258 0.002 A 995 TYR CDy C 13 133.258 0.002 A 995 TYR CEx C 13 118.534 0.006 A 995 TYR CEy C 13 118.534 0.006 A 995 TYR N N 15 118.377 0.158 A 996 GLY H H 1 9.223 0.016 A 996 GLY HAx H 1 3.058 0.011 A 996 GLY HAy H 1 4.624 0.007 A 996 GLY C C 13 171.731 0.018 A 996 GLY CA C 13 45.033 0.013 A 996 GLY N N 15 107.044 0.174 A 997 ILE H H 1 8.658 0.010 A 997 ILE HA H 1 5.066 0.006 A 997 ILE HB H 1 1.955 0.006 A 997 ILE HD1% H 1 0.902 0.006 A 997 ILE HG1x H 1 1.151 0.004 A 997 ILE HG1y H 1 1.630 0.006 A 997 ILE HG2% H 1 1.161 0.008 A 997 ILE C C 13 174.043 0.016 A 997 ILE CA C 13 59.690 0.059 A 997 ILE CB C 13 42.657 0.018 A 997 ILE CD1 C 13 14.413 0.012 A 997 ILE CG1 C 13 27.773 0.002 A 997 ILE CG2 C 13 17.972 0.011 A 997 ILE N N 15 116.889 0.100 A 998 THR H H 1 8.036 0.023 A 998 THR HA H 1 3.901 0.009 A 998 THR HB H 1 3.799 0.009 A 998 THR HG2% H 1 0.558 0.008 A 998 THR C C 13 173.630 0.023 A 998 THR CA C 13 61.663 0.067 A 998 THR CB C 13 68.993 0.4 A 998 THR CG2 C 13 22.771 0.011 A 998 THR N N 15 119.592 0.095 A 999 ILE H H 1 8.758 0.010 A 999 ILE HA H 1 4.484 0.006 A 999 ILE HB H 1 1.781 0.005 A 999 ILE HD1% H 1 0.792 0.006 A 999 ILE HG1x H 1 1.028 0.003 A 999 ILE HG1y H 1 1.426 0.007 A 999 ILE HG2% H 1 0.912 0.018 A 999 ILE C C 13 173.540 0.4 A 999 ILE CA C 13 57.623 0.011 A 999 ILE CB C 13 38.977 0.4 A 999 ILE CD1 C 13 12.600 0.4 A 999 ILE CG1 C 13 27.049 0.001 A 999 ILE CG2 C 13 16.763 0.4 A 999 ILE N N 15 129.227 0.071 A 1000 PRO HA H 1 4.481 0.008 A 1000 PRO HBx H 1 1.766 0.008 A 1000 PRO HBy H 1 2.337 0.008 A 1000 PRO HDx H 1 3.679 0.004 A 1000 PRO HDy H 1 3.920 0.003 A 1000 PRO HGx H 1 1.958 0.003 A 1000 PRO HGy H 1 2.091 0.006 A 1000 PRO CA C 13 62.315 0.041 A 1000 PRO CB C 13 30.804 0.4 A 1000 PRO CD C 13 51.480 0.4 A 1000 PRO CG C 13 27.739 0.4 A 1001 PRO HA H 1 4.480 0.003 A 1001 PRO HBx H 1 2.126 0.006 A 1001 PRO HBy H 1 2.362 0.007 A 1001 PRO HDx H 1 3.470 0.006 A 1001 PRO HDy H 1 3.471 0.007 A 1001 PRO HGx H 1 1.682 0.003 A 1001 PRO HGy H 1 1.935 0.002 A 1001 PRO C C 13 176.106 0.4 A 1001 PRO CA C 13 64.158 0.049 A 1001 PRO CB C 13 33.631 0.4 A 1001 PRO CD C 13 49.745 0.099 A 1001 PRO CG C 13 24.384 0.001 A 1002 ASP H H 1 8.420 0.015 A 1002 ASP HA H 1 4.472 0.004 A 1002 ASP HBx H 1 2.804 0.010 A 1002 ASP HBy H 1 2.805 0.011 A 1002 ASP C C 13 175.331 0.4 A 1002 ASP CA C 13 55.558 0.020 A 1002 ASP CB C 13 41.669 0.011 A 1002 ASP N N 15 126.320 0.026 A 1003 HIS H H 1 8.790 0.008 A 1003 HIS HA H 1 4.693 0.009 A 1003 HIS HBx H 1 3.140 0.012 A 1003 HIS HBy H 1 3.348 0.001 A 1003 HIS HD2 H 1 7.247 0.005 A 1003 HIS HE1 H 1 8.440 0.001 A 1003 HIS C C 13 174.042 0.003 A 1003 HIS CA C 13 55.627 0.039 A 1003 HIS CB C 13 30.159 0.4 A 1003 HIS CD2 C 13 119.760 0.006 A 1003 HIS CE1 C 13 136.906 0.002 A 1003 HIS N N 15 115.778 0.024 A 1004 LYS H H 1 7.480 0.008 A 1004 LYS HA H 1 4.497 0.006 A 1004 LYS HBx H 1 1.589 0.007 A 1004 LYS HBy H 1 1.749 0.003 A 1004 LYS HD2 H 1 1.655 0.009 A 1004 LYS HD3 H 1 1.655 0.009 A 1004 LYS HE2 H 1 2.966 0.000 A 1004 LYS HE3 H 1 2.966 0.000 A 1004 LYS HGx H 1 1.178 0.004 A 1004 LYS HGy H 1 1.257 0.004 A 1004 LYS C C 13 173.420 0.4 A 1004 LYS CA C 13 53.609 0.009 A 1004 LYS CB C 13 33.391 0.4 A 1004 LYS CD C 13 29.619 0.053 A 1004 LYS CE C 13 42.356 0.4 A 1004 LYS CG C 13 24.052 0.002 A 1004 LYS N N 15 119.043 0.179 A 1005 PRO HA H 1 4.182 0.012 A 1005 PRO HBx H 1 0.305 0.007 A 1005 PRO HBy H 1 1.486 0.010 A 1005 PRO HDx H 1 2.925 0.004 A 1005 PRO HDy H 1 3.060 0.003 A 1005 PRO HGx H 1 0.796 0.006 A 1005 PRO HGy H 1 0.903 0.010 A 1005 PRO C C 13 175.952 0.4 A 1005 PRO CA C 13 62.814 0.036 A 1005 PRO CB C 13 31.823 0.010 A 1005 PRO CD C 13 50.948 0.004 A 1005 PRO CG C 13 27.865 0.007 A 1006 LYS H H 1 8.590 0.013 A 1006 LYS HA H 1 4.239 0.006 A 1006 LYS HBx H 1 1.675 0.011 A 1006 LYS HBy H 1 1.878 0.009 A 1006 LYS HGx H 1 1.368 0.006 A 1006 LYS HGy H 1 1.446 0.010 A 1006 LYS C C 13 175.884 0.001 A 1006 LYS CA C 13 55.838 0.047 A 1006 LYS CB C 13 33.875 0.019 A 1006 LYS CG C 13 24.801 0.002 A 1006 LYS N N 15 119.945 0.129 A 1007 SER H H 1 7.080 0.018 A 1007 SER HA H 1 4.458 0.009 A 1007 SER HBx H 1 3.775 0.008 A 1007 SER HBy H 1 3.808 0.008 A 1007 SER C C 13 171.607 0.020 A 1007 SER CA C 13 57.328 0.032 A 1007 SER CB C 13 64.664 0.018 A 1007 SER N N 15 111.712 0.152 A 1008 TRP H H 1 8.218 0.018 A 1008 TRP HA H 1 5.365 0.009 A 1008 TRP HBx H 1 2.727 0.010 A 1008 TRP HBy H 1 3.169 0.011 A 1008 TRP HD1 H 1 6.908 0.007 A 1008 TRP HE1 H 1 9.580 0.001 A 1008 TRP HE3 H 1 7.157 0.013 A 1008 TRP HH2 H 1 6.868 0.010 A 1008 TRP HZ2 H 1 7.141 0.007 A 1008 TRP HZ3 H 1 6.535 0.008 A 1008 TRP C C 13 176.858 0.003 A 1008 TRP CA C 13 55.847 0.024 A 1008 TRP CB C 13 33.312 0.030 A 1008 TRP CD1 C 13 127.771 0.020 A 1008 TRP CE3 C 13 120.236 0.008 A 1008 TRP CH2 C 13 122.902 0.006 A 1008 TRP CZ2 C 13 113.760 0.004 A 1008 TRP CZ3 C 13 119.960 0.004 A 1008 TRP N N 15 121.837 0.144 A 1008 TRP NE1 N 15 128.019 0.011 A 1009 VAL H H 1 9.683 0.016 A 1009 VAL HA H 1 5.098 0.008 A 1009 VAL HB H 1 2.558 0.010 A 1009 VAL HGx% H 1 1.145 0.003 A 1009 VAL HGy% H 1 1.168 0.002 A 1009 VAL C C 13 176.645 0.002 A 1009 VAL CA C 13 60.027 0.065 A 1009 VAL CB C 13 36.283 0.054 A 1009 VAL CGy C 13 22.149 0.4 A 1009 VAL CGx C 13 20.242 0.4 A 1009 VAL N N 15 115.379 0.162 A 1010 ALA H H 1 8.299 0.016 A 1010 ALA HA H 1 4.538 0.009 A 1010 ALA HB% H 1 1.239 0.009 A 1010 ALA C C 13 176.016 0.012 A 1010 ALA CA C 13 54.291 0.052 A 1010 ALA CB C 13 20.287 0.055 A 1010 ALA N N 15 120.968 0.148 A 1011 ALA H H 1 6.935 0.016 A 1011 ALA HA H 1 4.691 0.006 A 1011 ALA HB% H 1 1.284 0.008 A 1011 ALA C C 13 175.453 0.014 A 1011 ALA CA C 13 50.578 0.056 A 1011 ALA CB C 13 23.354 7.854 A 1011 ALA N N 15 116.093 0.137 A 1012 GLU H H 1 7.804 0.015 A 1012 GLU HA H 1 3.255 0.007 A 1012 GLU HBx H 1 0.945 0.011 A 1012 GLU HBy H 1 1.417 0.008 A 1012 GLU HGx H 1 1.913 0.007 A 1012 GLU HGy H 1 2.059 0.008 A 1012 GLU C C 13 176.234 0.009 A 1012 GLU CA C 13 57.091 0.013 A 1012 GLU CB C 13 30.566 0.012 A 1012 GLU CG C 13 38.145 5.660 A 1012 GLU N N 15 125.583 0.149 A 1013 LYS H H 1 10.727 0.019 A 1013 LYS HA H 1 4.444 0.007 A 1013 LYS HBx H 1 0.075 0.006 A 1013 LYS HBy H 1 0.976 0.008 A 1013 LYS HDx H 1 1.555 0.005 A 1013 LYS HDy H 1 1.735 0.011 A 1013 LYS HEx H 1 2.913 0.001 A 1013 LYS HEy H 1 2.993 0.002 A 1013 LYS HGx H 1 1.212 0.012 A 1013 LYS HGy H 1 1.282 0.009 A 1013 LYS C C 13 178.370 0.008 A 1013 LYS CA C 13 53.114 0.012 A 1013 LYS CB C 13 34.921 0.002 A 1013 LYS CD C 13 28.288 0.4 A 1013 LYS CE C 13 42.344 0.001 A 1013 LYS CG C 13 24.022 0.027 A 1013 LYS N N 15 130.238 0.157 A 1014 MET H H 1 8.528 0.017 A 1014 MET HA H 1 4.012 0.009 A 1014 MET HBx H 1 1.936 0.004 A 1014 MET HBy H 1 2.044 0.007 A 1014 MET HE% H 1 2.053 0.009 A 1014 MET HGx H 1 2.490 0.008 A 1014 MET HGy H 1 2.553 0.009 A 1014 MET C C 13 175.489 0.4 A 1014 MET CA C 13 58.615 0.028 A 1014 MET CB C 13 32.146 0.4 A 1014 MET CE C 13 17.178 0.4 A 1014 MET CG C 13 31.851 0.001 A 1014 MET N N 15 119.311 0.128 A 1015 TYR H H 1 6.054 0.020 A 1015 TYR HA H 1 4.425 0.008 A 1015 TYR HBx H 1 2.773 0.012 A 1015 TYR HBy H 1 3.252 0.007 A 1015 TYR HDx H 1 6.767 0.008 A 1015 TYR HDy H 1 6.767 0.008 A 1015 TYR HEx H 1 6.600 0.016 A 1015 TYR HEy H 1 6.600 0.016 A 1015 TYR C C 13 176.518 0.4 A 1015 TYR CA C 13 55.338 0.018 A 1015 TYR CB C 13 37.171 0.007 A 1015 TYR CDx C 13 133.666 0.002 A 1015 TYR CDy C 13 133.666 0.002 A 1015 TYR CEx C 13 119.121 0.4 A 1015 TYR CEy C 13 119.121 0.4 A 1015 TYR N N 15 107.889 0.137 A 1016 HIS H H 1 7.294 0.013 A 1016 HIS HA H 1 4.499 0.010 A 1016 HIS HBx H 1 3.414 0.011 A 1016 HIS HBy H 1 3.711 0.006 A 1016 HIS HD2 H 1 6.759 0.008 A 1016 HIS HE1 H 1 7.647 0.010 A 1016 HIS C C 13 176.394 0.007 A 1016 HIS CA C 13 60.866 0.023 A 1016 HIS CB C 13 32.700 0.013 A 1016 HIS CD2 C 13 114.854 0.036 A 1016 HIS CE1 C 13 137.818 0.4 A 1016 HIS N N 15 121.123 0.132 A 1017 THR H H 1 8.394 0.020 A 1017 THR HA H 1 4.344 0.007 A 1017 THR HB H 1 4.774 0.008 A 1017 THR HG2% H 1 1.374 0.005 A 1017 THR C C 13 173.865 0.031 A 1017 THR CA C 13 61.632 0.029 A 1017 THR CB C 13 70.959 0.088 A 1017 THR CG2 C 13 21.674 0.006 A 1017 THR N N 15 110.640 0.185 A 1018 HIS H H 1 8.687 0.012 A 1018 HIS HA H 1 5.589 0.013 A 1018 HIS HBx H 1 2.675 0.016 A 1018 HIS HBy H 1 3.273 0.009 A 1018 HIS HD2 H 1 7.169 0.010 A 1018 HIS HE1 H 1 7.874 0.006 A 1018 HIS C C 13 173.957 0.015 A 1018 HIS CA C 13 56.862 0.032 A 1018 HIS CB C 13 36.538 0.017 A 1018 HIS CD2 C 13 118.347 0.145 A 1018 HIS CE1 C 13 138.601 0.4 A 1018 HIS N N 15 123.251 0.130 A 1019 ARG H H 1 8.993 0.011 A 1019 ARG HA H 1 5.726 0.012 A 1019 ARG HBx H 1 0.553 0.009 A 1019 ARG HBy H 1 0.685 0.007 A 1019 ARG HDx H 1 0.126 0.012 A 1019 ARG HDy H 1 0.433 0.017 A 1019 ARG HG2 H 1 -0.099 0.010 A 1019 ARG HG3 H 1 -0.099 0.010 A 1019 ARG C C 13 174.026 0.4 A 1019 ARG CA C 13 54.707 0.048 A 1019 ARG CB C 13 33.594 0.003 A 1019 ARG CD C 13 43.532 0.013 A 1019 ARG CG C 13 24.197 0.001 A 1019 ARG N N 15 119.259 0.090 A 1020 ARG H H 1 9.086 0.014 A 1020 ARG HA H 1 6.121 0.015 A 1020 ARG HBx H 1 1.347 0.010 A 1020 ARG HBy H 1 1.521 0.009 A 1020 ARG HD2 H 1 1.863 0.015 A 1020 ARG HD3 H 1 1.863 0.015 A 1020 ARG HE H 1 6.660 0.004 A 1020 ARG HGx H 1 0.414 0.012 A 1020 ARG HGy H 1 0.805 0.012 A 1020 ARG C C 13 173.610 0.005 A 1020 ARG CA C 13 54.319 0.003 A 1020 ARG CB C 13 34.372 0.007 A 1020 ARG CD C 13 43.963 0.4 A 1020 ARG CG C 13 25.066 0.003 A 1020 ARG N N 15 119.266 0.123 A 1020 ARG NE N 15 85.749 0.1 A 1021 ARG H H 1 8.631 0.016 A 1021 ARG HA H 1 4.559 0.015 A 1021 ARG HB2 H 1 0.645 0.010 A 1021 ARG HB3 H 1 0.646 0.011 A 1021 ARG HDx H 1 0.432 0.008 A 1021 ARG HDy H 1 1.679 0.006 A 1021 ARG HE H 1 5.348 0.003 A 1021 ARG HGx H 1 0.515 0.007 A 1021 ARG HGy H 1 0.697 0.012 A 1021 ARG C C 13 172.938 0.009 A 1021 ARG CA C 13 53.826 0.036 A 1021 ARG CB C 13 35.440 0.038 A 1021 ARG CD C 13 44.020 0.024 A 1021 ARG CG C 13 24.135 0.005 A 1021 ARG N N 15 118.215 0.149 A 1021 ARG NE N 15 83.405 0.1 A 1022 ARG H H 1 8.896 0.013 A 1022 ARG HA H 1 3.400 0.008 A 1022 ARG HBx H 1 1.157 0.010 A 1022 ARG HBy H 1 1.599 0.012 A 1022 ARG HDx H 1 2.845 0.009 A 1022 ARG HDy H 1 3.129 0.014 A 1022 ARG HE H 1 7.519 0.005 A 1022 ARG HGx H 1 0.504 0.009 A 1022 ARG HGy H 1 1.025 0.008 A 1022 ARG C C 13 173.709 0.021 A 1022 ARG CA C 13 55.947 0.036 A 1022 ARG CB C 13 33.847 6.092 A 1022 ARG CD C 13 43.539 0.010 A 1022 ARG CG C 13 29.279 6.094 A 1022 ARG N N 15 126.505 0.155 A 1022 ARG NE N 15 85.014 0.1 A 1023 LEU H H 1 9.181 0.014 A 1023 LEU HA H 1 5.264 0.011 A 1023 LEU HBx H 1 1.384 0.010 A 1023 LEU HBy H 1 1.751 0.006 A 1023 LEU HDx% H 1 0.532 0.011 A 1023 LEU HDy% H 1 0.704 0.011 A 1023 LEU HG H 1 1.468 0.007 A 1023 LEU C C 13 176.379 0.014 A 1023 LEU CA C 13 53.999 0.025 A 1023 LEU CB C 13 43.444 0.008 A 1023 LEU CDx C 13 24.878 0.001 A 1023 LEU CDy C 13 26.295 0.006 A 1023 LEU CG C 13 28.482 0.001 A 1023 LEU N N 15 129.621 0.134 A 1024 VAL H H 1 8.997 0.014 A 1024 VAL HA H 1 5.734 0.008 A 1024 VAL HB H 1 1.843 0.010 A 1024 VAL HGx% H 1 0.605 0.009 A 1024 VAL HGy% H 1 0.708 0.016 A 1024 VAL C C 13 176.187 0.019 A 1024 VAL CA C 13 58.419 0.023 A 1024 VAL CB C 13 36.774 0.034 A 1024 VAL CGx C 13 18.206 0.066 A 1024 VAL CGy C 13 22.631 0.009 A 1024 VAL N N 15 111.553 0.147 A 1025 ARG H H 1 7.657 0.006 A 1025 ARG HA H 1 3.800 0.007 A 1025 ARG HBy H 1 -0.307 0.006 A 1025 ARG HBx H 1 -0.486 0.011 A 1025 ARG HDx H 1 -0.491 0.014 A 1025 ARG HDy H 1 0.100 0.005 A 1025 ARG HE H 1 5.162 0.008 A 1025 ARG HG2 H 1 0.716 0.012 A 1025 ARG HG3 H 1 0.716 0.012 A 1025 ARG C C 13 173.911 0.017 A 1025 ARG CA C 13 57.493 0.021 A 1025 ARG CB C 13 30.453 0.012 A 1025 ARG CD C 13 40.845 0.015 A 1025 ARG CG C 13 28.159 0.016 A 1025 ARG N N 15 120.223 0.021 A 1025 ARG NE N 15 83.171 0.1 A 1026 LYS H H 1 9.002 0.016 A 1026 LYS HA H 1 5.162 0.018 A 1026 LYS HBx H 1 1.667 0.009 A 1026 LYS HBy H 1 1.671 0.009 A 1026 LYS HDx H 1 1.574 0.013 A 1026 LYS HDy H 1 1.581 0.011 A 1026 LYS HE2 H 1 2.835 0.004 A 1026 LYS HE3 H 1 2.835 0.004 A 1026 LYS HGx H 1 1.431 0.014 A 1026 LYS HGy H 1 1.439 0.007 A 1026 LYS C C 13 176.888 0.025 A 1026 LYS CA C 13 56.718 0.052 A 1026 LYS CB C 13 34.339 0.021 A 1026 LYS CD C 13 29.243 0.001 A 1026 LYS CE C 13 41.335 0.4 A 1026 LYS CG C 13 25.242 0.003 A 1026 LYS N N 15 128.187 0.240 A 1027 ARG H H 1 9.590 0.019 A 1027 ARG HA H 1 5.483 0.009 A 1027 ARG HBx H 1 1.556 0.014 A 1027 ARG HBy H 1 1.922 0.012 A 1027 ARG HDx H 1 1.932 0.011 A 1027 ARG HDy H 1 2.193 0.012 A 1027 ARG HE H 1 9.335 0.005 A 1027 ARG HG2 H 1 1.603 0.003 A 1027 ARG HG3 H 1 1.603 0.003 A 1027 ARG C C 13 173.765 0.008 A 1027 ARG CA C 13 53.808 0.010 A 1027 ARG CB C 13 34.953 0.027 A 1027 ARG CD C 13 43.149 0.002 A 1027 ARG CG C 13 27.580 0.4 A 1027 ARG N N 15 121.565 0.125 A 1027 ARG NE N 15 88.487 0.1 A 1028 LYS H H 1 9.435 0.008 A 1028 LYS HA H 1 5.565 0.021 A 1028 LYS HBx H 1 1.820 0.007 A 1028 LYS HBy H 1 1.823 0.009 A 1028 LYS HDx H 1 1.546 0.006 A 1028 LYS HDy H 1 1.548 0.007 A 1028 LYS HEx H 1 2.815 0.006 A 1028 LYS HEy H 1 2.815 0.006 A 1028 LYS HGx H 1 1.283 0.013 A 1028 LYS HGy H 1 1.316 0.013 A 1028 LYS C C 13 174.683 0.005 A 1028 LYS CA C 13 54.409 0.076 A 1028 LYS CB C 13 36.685 0.022 A 1028 LYS CD C 13 29.242 0.001 A 1028 LYS CE C 13 41.778 0.064 A 1028 LYS CG C 13 24.051 0.003 A 1028 LYS N N 15 117.916 0.100 A 1029 LYS H H 1 7.866 0.011 A 1029 LYS HA H 1 3.472 0.012 A 1029 LYS HBx H 1 0.005 0.004 A 1029 LYS HBy H 1 0.863 0.005 A 1029 LYS HDx H 1 0.965 0.007 A 1029 LYS HDy H 1 0.966 0.008 A 1029 LYS HEx H 1 2.639 0.006 A 1029 LYS HEy H 1 2.641 0.008 A 1029 LYS HGx H 1 0.272 0.015 A 1029 LYS HGy H 1 0.384 0.014 A 1029 LYS C C 13 175.549 0.011 A 1029 LYS CA C 13 55.905 0.054 A 1029 LYS CB C 13 34.262 5.153 A 1029 LYS CD C 13 29.004 0.4 A 1029 LYS CE C 13 42.043 0.025 A 1029 LYS CG C 13 24.526 0.001 A 1029 LYS N N 15 124.886 0.096 A 1030 ASP H H 1 8.262 0.016 A 1030 ASP HA H 1 4.484 0.011 A 1030 ASP HBx H 1 2.330 0.012 A 1030 ASP HBy H 1 2.523 0.009 A 1030 ASP C C 13 176.483 0.012 A 1030 ASP CA C 13 53.734 0.036 A 1030 ASP CB C 13 40.980 0.018 A 1030 ASP N N 15 124.784 0.116 A 1031 LEU H H 1 8.382 0.014 A 1031 LEU HA H 1 4.244 0.008 A 1031 LEU HBx H 1 1.547 0.005 A 1031 LEU HBy H 1 1.562 0.010 A 1031 LEU HDx% H 1 0.715 0.008 A 1031 LEU HDy% H 1 0.822 0.007 A 1031 LEU HG H 1 1.519 0.009 A 1031 LEU C C 13 177.980 0.4 A 1031 LEU CA C 13 55.407 0.022 A 1031 LEU CB C 13 41.731 0.017 A 1031 LEU CDx C 13 22.955 0.001 A 1031 LEU CDy C 13 25.336 0.4 A 1031 LEU CG C 13 27.001 0.001 A 1031 LEU N N 15 125.138 0.046 A 1032 THR H H 1 8.260 0.019 A 1032 THR HA H 1 4.161 0.005 A 1032 THR HB H 1 4.328 0.000 A 1032 THR HG2% H 1 1.161 0.011 A 1032 THR C C 13 175.116 0.002 A 1032 THR CA C 13 63.243 0.052 A 1032 THR CB C 13 69.833 0.4 A 1032 THR CG2 C 13 21.687 0.014 A 1032 THR N N 15 114.083 0.100 A 1033 GLN H H 1 8.047 0.008 A 1033 GLN HA H 1 4.349 0.004 A 1033 GLN HBx H 1 1.902 0.007 A 1033 GLN HBy H 1 2.102 0.004 A 1033 GLN HE21 H 1 6.783 0.002 A 1033 GLN HE22 H 1 7.535 0.001 A 1033 GLN HGx H 1 2.281 0.012 A 1033 GLN HGy H 1 2.283 0.012 A 1033 GLN C C 13 176.138 0.008 A 1033 GLN CA C 13 55.896 0.028 A 1033 GLN CB C 13 29.438 0.017 A 1033 GLN CG C 13 33.813 0.003 A 1033 GLN N N 15 121.874 0.115 A 1033 GLN NE2 N 15 112.830 0.1 A 1034 THR H H 1 8.053 0.018 A 1034 THR HA H 1 4.257 0.012 A 1034 THR HB H 1 4.171 0.008 A 1034 THR HG2% H 1 1.162 0.008 A 1034 THR C C 13 174.530 0.010 A 1034 THR CA C 13 62.143 0.031 A 1034 THR CB C 13 70.071 0.002 A 1034 THR CG2 C 13 21.527 0.004 A 1034 THR N N 15 115.407 0.107 A 1035 ALA H H 1 8.303 0.018 A 1035 ALA HA H 1 4.313 0.005 A 1035 ALA HB% H 1 1.372 0.005 A 1035 ALA C C 13 177.899 0.010 A 1035 ALA CA C 13 52.850 0.019 A 1035 ALA CB C 13 19.242 0.090 A 1035 ALA N N 15 126.637 0.138 A 1036 SER H H 1 8.247 0.015 A 1036 SER HA H 1 4.428 0.002 A 1036 SER HBx H 1 3.836 0.002 A 1036 SER HBy H 1 3.886 0.001 A 1036 SER C C 13 174.869 0.4 A 1036 SER CA C 13 58.517 0.014 A 1036 SER CB C 13 63.819 0.032 A 1036 SER N N 15 115.096 0.144 A 1037 SER H H 1 8.308 0.016 A 1037 SER HA H 1 4.492 0.002 A 1037 SER HBx H 1 3.853 0.005 A 1037 SER HBy H 1 3.919 0.003 A 1037 SER C C 13 174.849 0.4 A 1037 SER CA C 13 58.684 0.036 A 1037 SER CB C 13 63.993 0.001 A 1037 SER N N 15 117.999 0.144 A 1038 THR H H 1 8.067 0.020 A 1038 THR HA H 1 4.312 0.004 A 1038 THR HB H 1 4.181 0.010 A 1038 THR HG2% H 1 1.168 0.003 A 1038 THR C C 13 174.167 0.015 A 1038 THR CA C 13 61.940 0.062 A 1038 THR CB C 13 69.920 0.4 A 1038 THR CG2 C 13 21.715 0.4 A 1038 THR N N 15 115.608 0.169 A 1039 ALA H H 1 8.154 0.017 A 1039 ALA HA H 1 4.317 0.014 A 1039 ALA HB% H 1 1.368 0.013 A 1039 ALA C C 13 176.628 0.009 A 1039 ALA CA C 13 52.719 0.050 A 1039 ALA CB C 13 19.345 0.069 A 1039 ALA N N 15 127.402 0.154 A 1040 ARG H H 1 7.880 0.014 A 1040 ARG HA H 1 4.148 0.007 A 1040 ARG HBx H 1 1.688 0.005 A 1040 ARG HBy H 1 1.828 0.011 A 1040 ARG HD2 H 1 3.172 0.001 A 1040 ARG HD3 H 1 3.172 0.001 A 1040 ARG HE H 1 7.118 0.000 A 1040 ARG HG2 H 1 1.580 0.001 A 1040 ARG HG3 H 1 1.580 0.001 A 1040 ARG C C 13 171.904 0.4 A 1040 ARG CA C 13 57.412 0.025 A 1040 ARG CB C 13 31.687 0.003 A 1040 ARG CD C 13 43.493 0.003 A 1040 ARG CG C 13 27.351 0.048 A 1040 ARG N N 15 126.034 0.138 A 1040 ARG NE N 15 85.287 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 918 ILE HA A 918 ILE HG1x 1.0 1.8 6.0 2 2 A 918 ILE HA A 918 ILE HG1y 1.0 1.8 6.0 3 3 A 933 GLU HA A 933 GLU HGx 1.0 1.8 6.0 4 4 A 933 GLU HA A 933 GLU HGy 1.0 1.8 6.0 5 5 A 1023 LEU HA A 1023 LEU HG 1.0 1.8 6.0 6 6 A 1026 LYS HDy A 1026 LYS HA 1.0 1.8 6.0 7 7 A 1026 LYS HA A 1026 LYS HDx 1.0 1.8 6.0 8 8 A 1026 LYS HA A 1026 LYS HGy 1.0 1.8 6.0 9 9 A 1026 LYS HA A 1026 LYS HGx 1.0 1.8 6.0 10 10 A 936 GLN HA A 936 GLN HGx 1.0 1.8 6.0 11 11 A 936 GLN HA A 936 GLN HGy 1.0 1.8 6.0 12 12 A 964 PRO HDy A 964 PRO HA 1.0 1.8 6.0 13 13 A 964 PRO HA A 964 PRO HDx 1.0 1.8 6.0 14 14 A 964 PRO HA A 964 PRO HGx 1.0 1.8 6.0 15 15 A 964 PRO HDy A 964 PRO HBy 1.0 1.8 6.0 16 16 A 964 PRO HDy A 964 PRO HBx 1.0 1.8 6.0 17 17 A 964 PRO HDx A 964 PRO HBy 1.0 1.8 6.0 18 18 A 964 PRO HDx A 964 PRO HBx 1.0 1.8 6.0 19 19 A 964 PRO HA A 964 PRO HGy 1.0 1.8 6.0 20 20 A 967 LEU HA A 967 LEU HG 1.0 1.8 6.0 21 21 A 1028 LYS HA A 1028 LYS HDy 1.0 1.8 6.0 22 22 A 1028 LYS HA A 1028 LYS HDx 1.0 1.8 6.0 23 23 A 1028 LYS HA A 1028 LYS HGx 1.0 1.8 6.0 24 24 A 1028 LYS HA A 1028 LYS HGy 1.0 1.8 6.0 25 25 A 929 GLU HA A 929 GLU HGx 1.0 1.8 6.0 26 26 A 929 GLU HA A 929 GLU HGy 1.0 1.8 6.0 27 27 A 990 GLU HA A 990 GLU HGx 1.0 1.8 6.0 28 28 A 990 GLU HA A 990 GLU HGy 1.0 1.8 6.0 29 29 A 994 GLU HA A 994 GLU HGx 1.0 1.8 6.0 30 30 A 994 GLU HA A 994 GLU HGy 1.0 1.8 6.0 31 31 A 958 GLY HAx A 958 GLY HAy 1.0 1.8 5.0 32 32 A 970 PRO HA A 970 PRO HGx 1.0 1.8 6.0 33 33 A 970 PRO HA A 970 PRO HGy 1.0 1.8 6.0 34 34 A 970 PRO HBx A 970 PRO HDy 1.0 1.8 6.0 35 35 A 970 PRO HBx A 970 PRO HDx 1.0 1.8 6.0 36 36 A 970 PRO HDx A 970 PRO HBy 1.0 1.8 6.0 37 37 A 970 PRO HDy A 970 PRO HBy 1.0 1.8 6.0 38 38 A 950 GLU HA A 950 GLU HGx 1.0 1.8 6.0 39 39 A 950 GLU HA A 950 GLU HGy 1.0 1.8 6.0 40 40 A 1012 GLU HGx A 1012 GLU HA 1.0 1.8 6.0 41 41 A 1012 GLU HA A 1012 GLU HGy 1.0 1.8 6.0 42 42 A 996 GLY HAx A 996 GLY HAy 1.0 1.8 6.0 43 43 A 942 PRO HA A 942 PRO HGx 1.0 1.8 6.0 44 44 A 942 PRO HA A 942 PRO HGy 1.0 1.8 6.0 45 45 A 920 PRO HBy A 920 PRO HDx 1.0 1.8 6.0 46 46 A 920 PRO HBy A 920 PRO HDy 1.0 1.8 6.0 47 47 A 920 PRO HDy A 920 PRO HBx 1.0 1.8 6.0 48 48 A 920 PRO HDy A 920 PRO HA 1.0 1.8 6.0 49 49 A 920 PRO HDx A 920 PRO HA 1.0 1.8 6.0 50 50 A 943 GLY HAx A 943 GLY HAy 1.0 1.8 3.5 51 51 A 944 GLY HAx A 944 GLY HAy 1.0 1.8 5.0 52 52 A 947 LYS HA A 947 LYS HDy 1.0 1.8 6.0 53 53 A 947 LYS HA A 947 LYS HDx 1.0 1.8 6.0 54 54 A 947 LYS HA A 947 LYS HGx 1.0 1.8 6.0 55 55 A 947 LYS HA A 947 LYS HGy 1.0 1.8 6.0 56 56 A 948 PRO HA A 948 PRO HGx 1.0 1.8 6.0 57 57 A 948 PRO HA A 948 PRO HGy 1.0 1.8 6.0 58 58 A 960 LYS HA A 960 LYS HGx 1.0 1.8 6.0 59 59 A 960 LYS HA A 960 LYS HGy 1.0 1.8 6.0 60 60 A 972 GLY HAx A 972 GLY HAy 1.0 1.8 4.0 61 61 A 974 GLU HA A 974 GLU HGx 1.0 1.8 6.0 62 62 A 974 GLU HA A 974 GLU HGy 1.0 1.8 6.0 63 63 A 976 GLU HGx A 976 GLU HA 1.0 1.8 6.0 64 64 A 976 GLU HA A 976 GLU HGy 1.0 1.8 6.0 65 65 A 984 ILE HG1x A 984 ILE HA 1.0 1.8 6.0 66 66 A 984 ILE HA A 984 ILE HG1y 1.0 1.8 6.0 67 67 A 986 ARG HDy A 986 ARG HA 1.0 1.8 6.0 68 68 A 986 ARG HA A 986 ARG HDx 1.0 1.8 6.0 69 69 A 986 ARG HDy A 986 ARG HBy 1.0 1.8 6.0 70 70 A 986 ARG HDx A 986 ARG HBy 1.0 1.8 6.0 71 71 A 986 ARG HDy A 986 ARG HBx 1.0 1.8 6.0 72 72 A 986 ARG HDx A 986 ARG HBx 1.0 1.8 6.0 73 73 A 986 ARG HA A 986 ARG HGx 1.0 1.8 6.0 74 74 A 986 ARG HA A 986 ARG HGy 1.0 1.8 6.0 75 75 A 991 LYS HA A 991 LYS HGx 1.0 1.8 6.0 76 76 A 991 LYS HA A 991 LYS HGy 1.0 1.8 6.0 77 77 A 992 GLY HAx A 992 GLY HAy 1.0 1.8 6.0 78 78 A 997 ILE HA A 997 ILE HG1x 1.0 1.8 6.0 79 79 A 997 ILE HA A 997 ILE HG1y 1.0 1.8 4.0 80 80 A 999 ILE HA A 999 ILE HG1x 1.0 1.8 6.0 81 81 A 999 ILE HA A 999 ILE HG1y 1.0 1.8 6.0 82 82 A 1004 LYS HA A 1004 LYS HGx 1.0 1.8 6.0 83 83 A 1004 LYS HA A 1004 LYS HGy 1.0 1.8 6.0 84 84 A 1006 LYS HGx A 1006 LYS HA 1.0 1.8 6.0 85 85 A 1006 LYS HA A 1006 LYS HGy 1.0 1.8 6.0 86 86 A 1013 LYS HA A 1013 LYS HGx 1.0 1.8 6.0 87 87 A 1013 LYS HA A 1013 LYS HGy 1.0 1.8 6.0 88 88 A 1013 LYS HDy A 1013 LYS HBy 1.0 1.8 6.0 89 89 A 1013 LYS HBy A 1013 LYS HDx 1.0 1.8 6.0 90 90 A 1013 LYS HA A 1013 LYS HDy 1.0 1.8 6.0 91 91 A 1013 LYS HDy A 1013 LYS HBx 1.0 1.8 6.0 92 92 A 1013 LYS HDx A 1013 LYS HBx 1.0 1.8 6.0 93 93 A 1013 LYS HA A 1013 LYS HDx 1.0 1.8 6.0 94 94 A 1014 MET HA A 1014 MET HGx 1.0 1.8 6.0 95 95 A 1014 MET HA A 1014 MET HGy 1.0 1.8 6.0 96 96 A 1029 LYS HDy A 1029 LYS HA 1.0 1.8 6.0 97 97 A 1029 LYS HA A 1029 LYS HGx 1.0 1.8 6.0 98 98 A 1029 LYS HA A 1029 LYS HGy 1.0 1.8 6.0 99 99 A 1029 LYS HDy A 1029 LYS HBy 1.0 1.8 6.0 100 100 A 1031 LEU HA A 1031 LEU HG 1.0 1.8 3.5 101 101 A 1033 GLN HGx A 1033 GLN HA 1.0 1.8 6.0 102 102 A 1033 GLN HA A 1033 GLN HGy 1.0 1.8 6.0 103 103 A 1018 HIS HBx A 1018 HIS HD2 1.0 1.8 6.0 104 104 A 927 HIS HBy A 927 HIS HD2 1.0 1.8 6.0 105 105 A 927 HIS HD2 A 927 HIS HBx 1.0 1.8 6.0 106 106 A 1016 HIS HBy A 1016 HIS HD2 1.0 1.8 6.0 107 107 A 1016 HIS HD2 A 1016 HIS HBx 1.0 1.8 6.0 108 108 A 1003 HIS HA A 1003 HIS HD2 1.0 1.8 6.0 109 109 A 1018 HIS HD2 A 1018 HIS HBy 1.0 1.8 6.0 110 110 A 920 PRO HDx A 920 PRO HBx 1.0 1.8 6.0 111 111 A 920 PRO HA A 920 PRO HGx 1.0 1.8 6.0 112 112 A 920 PRO HA A 920 PRO HGy 1.0 1.8 6.0 113 113 A 1001 PRO HGx A 1001 PRO HA 1.0 1.8 6.0 114 114 A 1001 PRO HA A 1001 PRO HDy 1.0 1.8 6.0 115 115 A 1001 PRO HDy A 1001 PRO HBy 1.0 1.8 6.0 116 116 A 1001 PRO HBx A 1001 PRO HDx 1.0 1.8 6.0 117 117 A 1016 HIS HD2 A 1016 HIS HA 1.0 1.8 6.0 118 118 A 946 TRP HBy A 946 TRP HE3 1.0 1.8 6.0 119 119 A 946 TRP HE3 A 946 TRP HBx 1.0 1.8 6.0 120 120 A 946 TRP HBx A 946 TRP HD1 1.0 1.8 6.0 121 121 A 946 TRP HE3 A 946 TRP HA 1.0 1.8 6.0 122 122 A 973 TRP HA A 973 TRP HD1 1.0 1.8 6.0 123 123 A 927 HIS HD2 A 927 HIS HA 1.0 1.8 6.0 124 124 A 946 TRP HBy A 946 TRP HD1 1.0 1.8 6.0 125 125 A 973 TRP HD1 A 973 TRP HBy 1.0 1.8 6.0 126 126 A 1008 TRP HBy A 1008 TRP HD1 1.0 1.8 6.0 127 127 A 1008 TRP HD1 A 1008 TRP HBx 1.0 1.8 6.0 128 128 A 973 TRP HD1 A 973 TRP HBx 1.0 1.8 6.0 129 129 A 973 TRP HBx A 973 TRP HE3 1.0 1.8 6.0 130 130 A 973 TRP HBy A 973 TRP HE3 1.0 1.8 6.0 131 131 A 975 TRP HBy A 975 TRP HD1 1.0 1.8 6.0 132 132 A 975 TRP HD1 A 975 TRP HBx 1.0 1.8 6.0 133 133 A 975 TRP HBy A 975 TRP HE3 1.0 1.8 6.0 134 134 A 975 TRP HBx A 975 TRP HE3 1.0 1.8 6.0 135 135 A 993 TRP HBx A 993 TRP HD1 1.0 1.8 6.0 136 136 A 993 TRP HD1 A 993 TRP HBy 1.0 1.8 6.0 137 137 A 1008 TRP HBx A 1008 TRP HE3 1.0 1.8 6.0 138 138 A 1008 TRP HBy A 1008 TRP HE3 1.0 1.8 6.0 139 139 A 993 TRP HBx A 993 TRP HE3 1.0 1.8 6.0 140 140 A 993 TRP HBy A 993 TRP HE3 1.0 1.8 6.0 141 141 A 980 TRP HBx A 980 TRP HD1 1.0 1.8 6.0 142 142 A 980 TRP HBx A 980 TRP HE3 1.0 1.8 6.0 143 143 A 1000 PRO HA A 1000 PRO HGx 1.0 1.8 6.0 144 144 A 940 ARG HA A 940 ARG HGx 1.0 1.8 6.0 145 145 A 940 ARG HA A 940 ARG HDy 1.0 1.8 6.0 146 146 A 942 PRO HA A 942 PRO HDx 1.0 1.8 6.0 147 147 A 942 PRO HDx A 942 PRO HBx 1.0 1.8 6.0 148 148 A 942 PRO HDx A 942 PRO HBy 1.0 1.8 6.0 149 149 A 948 PRO HBy A 948 PRO HDy 1.0 1.8 6.0 150 150 A 948 PRO HDy A 948 PRO HBx 1.0 1.8 6.0 151 151 A 1000 PRO HDx A 1000 PRO HBy 1.0 1.8 6.0 152 152 A 1000 PRO HBy A 1000 PRO HDy 1.0 1.8 6.0 153 153 A 1022 ARG HGx A 1022 ARG HA 1.0 1.8 6.0 154 154 A 1022 ARG HA A 1022 ARG HGy 1.0 1.8 6.0 155 155 A 970 PRO HA A 970 PRO HDy 1.0 1.8 6.0 156 156 A 970 PRO HA A 970 PRO HDx 1.0 1.8 6.0 157 157 A 971 PRO HA A 971 PRO HDy 1.0 1.8 6.0 158 158 A 975 TRP HE3 A 975 TRP HA 1.0 1.8 6.0 159 159 A 980 TRP HE3 A 980 TRP HA 1.0 1.8 6.0 160 160 A 980 TRP HD1 A 980 TRP HA 1.0 1.8 6.0 161 161 A 1001 PRO HA A 1001 PRO HGy 1.0 1.8 6.0 162 162 A 1005 PRO HDx A 1005 PRO HA 1.0 1.8 6.0 163 163 A 1005 PRO HA A 1005 PRO HDy 1.0 1.8 6.0 164 164 A 1005 PRO HA A 1005 PRO HGy 1.0 1.8 6.0 165 165 A 1005 PRO HA A 1005 PRO HGx 1.0 1.8 6.0 166 166 A 1005 PRO HDx A 1005 PRO HBy 1.0 1.8 6.0 167 167 A 1005 PRO HDx A 1005 PRO HBx 1.0 1.8 6.0 168 168 A 1005 PRO HDy A 1005 PRO HBy 1.0 1.8 6.0 169 169 A 1008 TRP HD1 A 1008 TRP HA 1.0 1.8 6.0 170 170 A 1008 TRP HE3 A 1008 TRP HA 1.0 1.8 6.0 171 171 A 1016 HIS HBy A 1016 HIS H 1.0 1.8 6.0 172 172 A 1016 HIS HBx A 1016 HIS H 1.0 1.8 6.0 173 173 A 1019 ARG HA A 1019 ARG HDy 1.0 1.8 6.0 174 174 A 1019 ARG HDy A 1019 ARG HBy 1.0 1.8 6.0 175 175 A 1019 ARG HDy A 1019 ARG HBx 1.0 1.8 6.0 176 176 A 1020 ARG HA A 1020 ARG HGx 1.0 1.8 6.0 177 177 A 1022 ARG HA A 1022 ARG HDx 1.0 1.8 6.0 178 178 A 1022 ARG HDx A 1022 ARG HBx 1.0 1.8 6.0 179 179 A 1022 ARG HDx A 1022 ARG HBy 1.0 1.8 6.0 180 180 A 1022 ARG HBx A 1022 ARG HDy 1.0 1.8 6.0 181 181 A 1022 ARG HBy A 1022 ARG HDy 1.0 1.8 6.0 182 182 A 1025 ARG HA A 1025 ARG HDy 1.0 1.8 6.0 183 183 A 1025 ARG HDy A 1025 ARG HBx 1.0 1.8 6.0 184 184 A 1025 ARG HDy A 1025 ARG HBy 1.0 1.8 6.0 185 185 A 1027 ARG HBx A 1027 ARG HDy 1.0 1.8 6.0 186 186 A 946 TRP HD1 A 946 TRP HA 1.0 1.8 6.0 187 187 A 993 TRP HD1 A 993 TRP HA 1.0 1.8 6.0 188 188 A 993 TRP HE3 A 993 TRP HA 1.0 1.8 6.0 189 189 A 960 LYS HA A 960 LYS HDx 1.0 1.8 6.0 190 190 A 960 LYS HA A 960 LYS HDy 1.0 1.8 6.0 191 191 A 1005 PRO HDy A 1005 PRO HBx 1.0 1.8 6.0 192 192 A 940 ARG HA A 940 ARG HDx 1.0 1.8 6.0 193 193 A 940 ARG HDy A 940 ARG HBy 1.0 1.8 6.0 194 194 A 1027 ARG HDy A 1027 ARG HA 1.0 1.8 6.0 195 195 A 1025 ARG HBx A 1025 ARG HDx 1.0 1.8 6.0 196 196 A 1025 ARG HA A 1025 ARG HDx 1.0 1.8 6.0 197 197 A 1022 ARG HA A 1022 ARG HDy 1.0 1.8 6.0 198 198 A 1000 PRO HA A 1000 PRO HDy 1.0 1.8 6.0 199 199 A 1019 ARG HA A 1019 ARG HDx 1.0 1.8 6.0 200 200 A 942 PRO HBx A 942 PRO HDy 1.0 1.8 6.0 201 201 A 942 PRO HBy A 942 PRO HDy 1.0 1.8 6.0 202 202 A 938 GLU HGy A 938 GLU HA 1.0 1.8 6.0 203 203 A 1019 ARG HBx A 1019 ARG HDx 1.0 1.8 6.0 204 204 A 1019 ARG HBy A 1019 ARG HDx 1.0 1.8 6.0 205 205 A 942 PRO HA A 942 PRO HDy 1.0 1.8 6.0 206 206 A 948 PRO HA A 948 PRO HDx 1.0 1.8 6.0 207 207 A 948 PRO HBy A 948 PRO HDx 1.0 1.8 6.0 208 208 A 940 ARG HA A 940 ARG HGy 1.0 1.8 6.0 209 209 A 940 ARG HDx A 940 ARG HBx 1.0 1.8 6.0 210 210 A 940 ARG HDx A 940 ARG HBy 1.0 1.8 6.0 211 211 A 971 PRO HA A 971 PRO HGx 1.0 1.8 6.0 212 212 A 971 PRO HA A 971 PRO HGy 1.0 1.8 6.0 213 213 A 1000 PRO HDy A 1000 PRO HBx 1.0 1.8 6.0 214 214 A 1000 PRO HDx A 1000 PRO HBx 1.0 1.8 6.0 215 215 A 1003 HIS HD2 A 1003 HIS HBy 1.0 1.8 6.0 216 216 A 1003 HIS HD2 A 1003 HIS HBx 1.0 1.8 6.0 217 217 A 1013 LYS HBx A 1013 LYS HEx 1.0 1.8 6.0 218 218 A 1013 LYS HBx A 1013 LYS HEy 1.0 1.8 6.0 219 219 A 1013 LYS HBy A 1013 LYS HEx 1.0 1.8 6.0 220 220 A 1013 LYS HBy A 1013 LYS HEy 1.0 1.8 6.0 221 221 A 1013 LYS HGy A 1013 LYS HEy 1.0 1.8 5.0 222 222 A 1013 LYS HGy A 1013 LYS HEx 1.0 1.8 5.0 223 223 A 1013 LYS HA A 1013 LYS HEx 1.0 1.8 6.0 224 224 A 1013 LYS HA A 1013 LYS HEy 1.0 1.8 6.0 225 225 A 948 PRO HBx A 948 PRO HDx 1.0 1.8 6.0 226 226 A 948 PRO HA A 948 PRO HDy 1.0 1.8 6.0 227 227 A 933 GLU H A 933 GLU HBy 1.0 1.8 5.0 228 228 A 931 THR H A 931 THR HB 1.0 1.8 5.0 229 229 A 953 TYR HBy A 953 TYR H 1.0 1.8 4.0 230 230 A 967 LEU HG A 967 LEU H 1.0 1.8 5.0 231 231 A 967 LEU HBx A 967 LEU H 1.0 1.8 5.0 232 232 A 929 GLU HGx A 929 GLU H 1.0 1.8 5.0 233 233 A 937 ASN H A 937 ASN HBx 1.0 1.8 5.0 234 234 A 963 SER H A 963 SER HBy 1.0 1.8 3.5 235 235 A 977 ASP H A 977 ASP HBx 1.0 1.8 5.0 236 236 A 977 ASP H A 977 ASP HBy 1.0 1.8 5.0 237 237 A 982 TYR HBx A 982 TYR H 1.0 1.8 5.0 238 238 A 990 GLU H A 990 GLU HBx 1.0 1.8 5.0 239 239 A 1008 TRP HBx A 1008 TRP H 1.0 1.8 5.0 240 240 A 1008 TRP HBy A 1008 TRP H 1.0 1.8 5.0 241 241 A 1023 LEU HBy A 1023 LEU H 1.0 1.8 5.0 242 242 A 1026 LYS HGx A 1026 LYS H 1.0 1.8 5.0 243 243 A 1026 LYS H A 1026 LYS HBx 1.0 1.8 3.0 244 244 A 1028 LYS H A 1028 LYS HBx 1.0 1.8 5.0 245 245 A 921 PHE HBy A 921 PHE H 1.0 1.8 5.0 246 246 A 924 ASP H A 924 ASP HBy 1.0 1.8 5.0 247 247 A 924 ASP H A 924 ASP HBx 1.0 1.8 5.0 248 248 A 932 ASP H A 932 ASP HBy 1.0 1.8 5.0 249 249 A 932 ASP H A 932 ASP HBx 1.0 1.8 5.0 250 250 A 934 VAL H A 934 VAL HB 1.0 1.8 5.0 251 251 A 935 TYR HBy A 935 TYR H 1.0 1.8 5.0 252 252 A 935 TYR HBx A 935 TYR H 1.0 1.8 5.0 253 253 A 939 SER H A 939 SER HBy 1.0 1.8 5.0 254 254 A 939 SER H A 939 SER HBx 1.0 1.8 5.0 255 255 A 941 TYR HBy A 941 TYR H 1.0 1.8 5.0 256 256 A 941 TYR HBx A 941 TYR H 1.0 1.8 5.0 257 257 A 951 ASP H A 951 ASP HBy 1.0 1.8 5.0 258 258 A 952 THR H A 952 THR HB 1.0 1.8 5.0 259 259 A 959 ASP H A 959 ASP HBx 1.0 1.8 5.0 260 260 A 959 ASP H A 959 ASP HBy 1.0 1.8 5.0 261 261 A 965 SER H A 965 SER HBy 1.0 1.8 5.0 262 262 A 968 THR H A 968 THR HB 1.0 1.8 5.0 263 263 A 973 TRP HBy A 973 TRP H 1.0 1.8 5.0 264 264 A 973 TRP HBx A 973 TRP H 1.0 1.8 5.0 265 265 A 974 GLU HGy A 974 GLU H 1.0 1.8 5.0 266 266 A 983 ASP H A 983 ASP HBy 1.0 1.8 5.0 267 267 A 983 ASP H A 983 ASP HBx 1.0 1.8 5.0 268 268 A 984 ILE HB A 984 ILE H 1.0 1.8 5.0 269 269 A 985 ASN H A 985 ASN HBx 1.0 1.8 5.0 270 270 A 985 ASN H A 985 ASN HBy 1.0 1.8 5.0 271 271 A 986 ARG HGy A 986 ARG H 1.0 1.8 5.0 272 272 A 986 ARG HBy A 986 ARG H 1.0 1.8 5.0 273 273 A 986 ARG HBx A 986 ARG H 1.0 1.8 5.0 274 274 A 991 LYS HGx A 991 LYS H 1.0 1.8 5.0 275 275 A 993 TRP HBx A 993 TRP H 1.0 1.8 5.0 276 276 A 997 ILE HB A 997 ILE H 1.0 1.8 5.0 277 277 A 998 THR H A 998 THR HB 1.0 1.8 5.0 278 278 A 999 ILE HB A 999 ILE H 1.0 1.8 5.0 279 279 A 999 ILE HG1x A 999 ILE H 1.0 1.8 5.0 280 280 A 1004 LYS HGx A 1004 LYS H 1.0 1.8 5.0 281 281 A 1006 LYS H A 1006 LYS HBx 1.0 1.8 5.0 282 282 A 1006 LYS H A 1006 LYS HBy 1.0 1.8 5.0 283 283 A 1006 LYS HGx A 1006 LYS H 1.0 1.8 5.0 284 284 A 1007 SER H A 1007 SER HBx 1.0 1.8 5.0 285 285 A 1009 VAL H A 1009 VAL HB 1.0 1.8 5.0 286 286 A 1015 TYR HBx A 1015 TYR H 1.0 1.8 5.0 287 287 A 1015 TYR HBy A 1015 TYR H 1.0 1.8 5.0 288 288 A 1016 HIS HBx A 1016 HIS H 1.0 1.8 5.0 289 289 A 1016 HIS HBy A 1016 HIS H 1.0 1.8 5.0 290 290 A 1029 LYS HBy A 1029 LYS H 1.0 1.8 5.0 291 291 A 1029 LYS H A 1029 LYS HBx 1.0 1.8 5.0 292 292 A 1030 ASP H A 1030 ASP HBy 1.0 1.8 5.0 293 293 A 1030 ASP H A 1030 ASP HBx 1.0 1.8 5.0 294 294 A 1033 GLN H A 1033 GLN HBx 1.0 1.8 5.0 295 295 A 1033 GLN H A 1033 GLN HBy 1.0 1.8 5.0 296 296 A 1033 GLN HGy A 1033 GLN H 1.0 1.8 5.0 297 297 A 1034 THR H A 1034 THR HB 1.0 1.8 5.0 298 298 A 929 GLU H A 929 GLU HBy 1.0 1.8 5.0 299 299 A 982 TYR HBy A 982 TYR H 1.0 1.8 5.0 300 300 A 989 ASP H A 989 ASP HBx 1.0 1.8 5.0 301 301 A 990 GLU HGx A 990 GLU H 1.0 1.8 5.0 302 302 A 994 GLU H A 994 GLU HBy 1.0 1.8 4.0 303 303 A 999 ILE HG1y A 999 ILE H 1.0 1.8 5.0 304 304 A 1004 LYS H A 1004 LYS HBy 1.0 1.8 5.0 305 305 A 1012 GLU H A 1012 GLU HBy 1.0 1.8 5.0 306 306 A 1014 MET H A 1014 MET HBy 1.0 1.8 5.0 307 307 A 1014 MET H A 1014 MET HBx 1.0 1.8 5.0 308 308 A 951 ASP H A 951 ASP HBx 1.0 1.8 5.0 309 309 A 955 ASP H A 955 ASP HBy 1.0 1.8 5.0 310 310 A 955 ASP H A 955 ASP HBx 1.0 1.8 5.0 311 311 A 921 PHE HBx A 921 PHE H 1.0 1.8 5.0 312 312 A 937 ASN H A 937 ASN HBy 1.0 1.8 5.0 313 313 A 927 HIS HD2 A 927 HIS H 1.0 1.8 5.0 314 314 A 946 TRP HD1 A 946 TRP H 1.0 1.8 5.0 315 315 A 973 TRP HD1 A 973 TRP H 1.0 1.8 5.0 316 316 A 975 TRP HBx A 975 TRP H 1.0 1.8 5.0 317 317 A 975 TRP HBy A 975 TRP H 1.0 1.8 5.0 318 318 A 976 GLU HGy A 976 GLU H 1.0 1.8 5.0 319 319 A 976 GLU H A 976 GLU HBx 1.0 1.8 5.0 320 320 A 978 ASP H A 978 ASP HBx 1.0 1.8 5.0 321 321 A 980 TRP HBx A 980 TRP H 1.0 1.8 5.0 322 322 A 1016 HIS HD2 A 1016 HIS H 1.0 1.8 5.0 323 323 A 1018 HIS HBy A 1018 HIS H 1.0 1.8 5.0 324 324 A 1018 HIS HBx A 1018 HIS H 1.0 1.8 5.0 325 325 A 1024 VAL H A 1024 VAL HB 1.0 1.8 5.0 326 326 A 922 THR H A 922 THR HB 1.0 1.8 5.0 327 327 A 930 PHE HBx A 930 PHE H 1.0 1.8 5.0 328 328 A 930 PHE HBy A 930 PHE H 1.0 1.8 5.0 329 329 A 933 GLU H A 933 GLU HBx 1.0 1.8 5.0 330 330 A 933 GLU HGy A 933 GLU H 1.0 1.8 5.0 331 331 A 933 GLU HGx A 933 GLU H 1.0 1.8 5.0 332 332 A 936 GLN H A 936 GLN HBx 1.0 1.8 5.0 333 333 A 936 GLN H A 936 GLN HBy 1.0 1.8 5.0 334 334 A 938 GLU H A 938 GLU HBy 1.0 1.8 5.0 335 335 A 940 ARG HDx A 940 ARG H 1.0 1.8 5.0 336 336 A 940 ARG HBy A 940 ARG H 1.0 1.8 5.0 337 337 A 940 ARG HDy A 940 ARG H 1.0 1.8 5.0 338 338 A 940 ARG HGx A 940 ARG H 1.0 1.8 5.0 339 339 A 945 ASP H A 945 ASP HBy 1.0 1.8 5.0 340 340 A 946 TRP HBy A 946 TRP HE1 1.0 1.8 5.0 341 341 A 947 LYS H A 947 LYS HBx 1.0 1.8 5.0 342 342 A 950 GLU HGy A 950 GLU H 1.0 1.8 5.0 343 343 A 950 GLU H A 950 GLU HBy 1.0 1.8 5.0 344 344 A 957 ASN H A 957 ASN HD22 1.0 1.8 5.0 345 345 A 960 LYS H A 960 LYS HBy 1.0 1.8 5.0 346 346 A 960 LYS HGy A 960 LYS H 1.0 1.8 5.0 347 347 A 974 GLU H A 974 GLU HBy 1.0 1.8 5.0 348 348 A 993 TRP HBx A 993 TRP HE1 1.0 1.8 5.0 349 349 A 993 TRP HE1 A 993 TRP HH2 1.0 1.8 5.0 350 350 A 975 TRP HD1 A 975 TRP H 1.0 1.8 5.0 351 351 A 975 TRP HE3 A 975 TRP H 1.0 1.8 5.0 352 352 A 980 TRP H A 980 TRP HE1 1.0 1.8 5.0 353 353 A 980 TRP HD1 A 980 TRP H 1.0 1.8 5.0 354 354 A 986 ARG HDy A 986 ARG H 1.0 1.8 5.0 355 355 A 988 VAL H A 988 VAL HB 1.0 1.8 5.0 356 356 A 994 GLU HGx A 994 GLU H 1.0 1.8 5.0 357 357 A 997 ILE HG1x A 997 ILE H 1.0 1.8 5.0 358 358 A 1008 TRP HD1 A 1008 TRP H 1.0 1.8 5.0 359 359 A 1008 TRP H A 1008 TRP HE1 1.0 1.8 5.0 360 360 A 1008 TRP HBy A 1008 TRP HE1 1.0 1.8 5.0 361 361 A 1008 TRP HBx A 1008 TRP HE1 1.0 1.8 5.0 362 362 A 1012 GLU HGx A 1012 GLU H 1.0 1.8 5.0 363 363 A 1012 GLU H A 1012 GLU HBx 1.0 1.8 5.0 364 364 A 1013 LYS HDx A 1013 LYS H 1.0 1.8 5.0 365 365 A 1013 LYS HGx A 1013 LYS H 1.0 1.8 5.0 366 366 A 1013 LYS HBx A 1013 LYS H 1.0 1.8 5.0 367 367 A 1021 ARG H A 1021 ARG HDx 1.0 1.8 5.0 368 368 A 1022 ARG HGx A 1022 ARG H 1.0 1.8 5.0 369 369 A 1022 ARG HBx A 1022 ARG H 1.0 1.8 5.0 370 370 A 1022 ARG HBy A 1022 ARG H 1.0 1.8 5.0 371 371 A 1022 ARG HDx A 1022 ARG H 1.0 1.8 5.0 372 372 A 1023 LEU HBx A 1023 LEU H 1.0 1.8 5.0 373 373 A 1027 ARG H A 1027 ARG HBy 1.0 1.8 5.0 374 374 A 1027 ARG HDy A 1027 ARG H 1.0 1.8 5.0 375 375 A 1028 LYS HGx A 1028 LYS H 1.0 1.8 5.0 376 376 A 1029 LYS HGx A 1029 LYS H 1.0 1.8 5.0 377 377 A 1029 LYS HGy A 1029 LYS H 1.0 1.8 5.0 378 378 A 1031 LEU HBy A 1031 LEU H 1.0 1.8 4.0 379 379 A 1038 THR H A 1038 THR HB 1.0 1.8 5.0 380 380 A 985 ASN HBx A 985 ASN HD22 1.0 1.8 5.0 381 381 A 985 ASN HBy A 985 ASN HD22 1.0 1.8 5.0 382 382 A 985 ASN HD22 A 985 ASN HA 1.0 1.8 5.0 383 383 A 940 ARG HBy A 940 ARG HE 1.0 1.8 5.0 384 384 A 1020 ARG HE A 1020 ARG HGy 1.0 1.8 5.0 385 385 A 1020 ARG HGx A 1020 ARG HE 1.0 1.8 5.0 386 386 A 1020 ARG HE A 1020 ARG HBy 1.0 1.8 5.0 387 387 A 1020 ARG HE A 1020 ARG HBx 1.0 1.8 5.0 388 388 A 1020 ARG HA A 1020 ARG HE 1.0 1.8 5.0 389 389 A 1022 ARG HGx A 1022 ARG HE 1.0 1.8 5.0 390 390 A 1022 ARG HGy A 1022 ARG HE 1.0 1.8 5.0 391 391 A 1022 ARG H A 1022 ARG HE 1.0 1.8 5.0 392 392 A 1027 ARG HBx A 1027 ARG HE 1.0 1.8 5.0 393 393 A 936 GLN HBy A 936 GLN HE22 1.0 1.8 5.0 394 394 A 985 ASN HBx A 985 ASN HD21 1.0 1.8 5.0 395 395 A 985 ASN HBy A 985 ASN HD21 1.0 1.8 5.0 396 396 A 985 ASN HA A 985 ASN HD21 1.0 1.8 5.0 397 397 A 1033 GLN HGx A 1033 GLN HE21 1.0 1.8 5.0 398 398 A 1033 GLN HGx A 1033 GLN HE22 1.0 1.8 5.0 399 399 A 945 ASP H A 945 ASP HBx 1.0 1.8 5.0 400 400 A 973 TRP HE1 A 973 TRP HH2 1.0 1.8 5.0 401 401 A 975 TRP HBy A 975 TRP HE1 1.0 1.8 5.0 402 402 A 975 TRP HBx A 975 TRP HE1 1.0 1.8 5.0 403 403 A 946 TRP HBx A 946 TRP H 1.0 1.8 5.0 404 404 A 966 GLU H A 966 GLU HBx 1.0 1.8 5.0 405 405 A 991 LYS HGy A 991 LYS H 1.0 1.8 5.0 406 406 A 993 TRP HD1 A 993 TRP H 1.0 1.8 5.0 407 407 A 989 ASP H A 989 ASP HBy 1.0 1.8 5.0 408 408 A 993 TRP HBy A 993 TRP H 1.0 1.8 5.0 409 409 A 960 LYS HGx A 960 LYS H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 933 GLU HA A 1024 VAL HA 1.0 1.8 6.0 2 2 A 1020 ARG HA A 937 ASN HA 1.0 1.8 6.0 3 3 A 931 THR HA A 1026 LYS HGx 1.0 1.8 6.0 4 4 A 931 THR HA A 1026 LYS HA 1.0 1.8 5.0 5 5 A 954 THR HA A 961 ALA HA 1.0 1.8 6.0 6 6 A 1023 LEU HA A 982 TYR HBy 1.0 1.8 6.0 7 7 A 929 GLU HA A 1028 LYS HBx 1.0 1.8 6.0 8 8 A 994 GLU HA A 988 VAL HA 1.0 1.8 6.0 9 9 A 994 GLU HA A 1011 ALA H 1.0 1.8 6.0 10 10 A 994 GLU HA A 1008 TRP HBy 1.0 1.8 6.0 11 11 A 994 GLU HA A 1008 TRP HBx 1.0 1.8 6.0 12 12 A 994 GLU HA A 1010 ALA HA 1.0 1.8 6.0 13 13 A 954 THR HA A 960 LYS HA 1.0 1.8 6.0 14 14 A 1023 LEU HA A 982 TYR HBx 1.0 1.8 6.0 15 15 A 1026 LYS HA A 931 THR HB 1.0 1.8 6.0 16 16 A 998 THR HA A 1005 PRO HA 1.0 1.8 6.0 17 17 A 996 GLY HAx A 1008 TRP HA 1.0 1.8 6.0 18 18 A 996 GLY HAy A 1008 TRP HA 1.0 1.8 6.0 19 19 A 1018 HIS HBx A 939 SER HA 1.0 1.8 6.0 20 20 A 975 TRP HA A 1027 ARG HA 1.0 1.8 6.0 21 21 A 935 TYR HA A 1022 ARG HA 1.0 1.8 6.0 22 22 A 935 TYR HBy A 1022 ARG HA 1.0 1.8 6.0 23 23 A 948 PRO HBx A 938 GLU HA 1.0 1.8 6.0 24 24 A 948 PRO HBy A 938 GLU HA 1.0 1.8 6.0 25 25 A 948 PRO HGy A 938 GLU HA 1.0 1.8 6.0 26 26 A 952 THR HA A 937 ASN HBx 1.0 1.8 6.0 27 27 A 952 THR HA A 937 ASN HBy 1.0 1.8 6.0 28 28 A 1029 LYS HBy A 973 TRP HA 1.0 1.8 6.0 29 29 A 1029 LYS HGx A 973 TRP HA 1.0 1.8 6.0 30 30 A 1029 LYS HGy A 973 TRP HA 1.0 1.8 6.0 31 31 A 988 VAL HA A 1010 ALA HA 1.0 1.8 6.0 32 32 A 988 VAL HA A 994 GLU HBy 1.0 1.8 6.0 33 33 A 997 ILE HB A 1016 HIS HA 1.0 1.8 6.0 34 34 A 1028 LYS HDx A 929 GLU HA 1.0 1.8 6.0 35 35 A 1028 LYS HGx A 929 GLU HA 1.0 1.8 6.0 36 36 A 936 GLN HA A 953 TYR HA 1.0 1.8 6.0 37 37 A 934 VAL HA A 955 ASP HA 1.0 1.8 6.0 38 38 A 997 ILE HA A 1016 HIS HA 1.0 1.8 6.0 39 39 A 980 TRP HA A 1025 ARG HA 1.0 1.8 6.0 40 40 A 1029 LYS HA A 973 TRP HA 1.0 1.8 6.0 41 41 A 1031 LEU HBy A 926 GLY HAx 1.0 1.8 6.0 42 42 A 1031 LEU HBy A 926 GLY HAy 1.0 1.8 6.0 43 43 A 1019 ARG HA A 995 TYR HA 1.0 1.8 6.0 44 44 A 1023 LEU HA A 980 TRP HBx 1.0 1.8 6.0 45 45 A 1023 LEU HBx A 980 TRP HBx 1.0 1.8 6.0 46 46 A 1023 LEU HBy A 980 TRP HBy 1.0 1.8 6.0 47 47 A 1023 LEU HA A 980 TRP HBy 1.0 1.8 6.0 48 48 A 1023 LEU HBx A 980 TRP HBy 1.0 1.8 6.0 49 49 A 1023 LEU HG A 980 TRP HBx 1.0 1.8 6.0 50 50 A 1023 LEU HG A 980 TRP HBy 1.0 1.8 6.0 51 51 A 1024 VAL HA A 933 GLU HBx 1.0 1.8 6.0 52 52 A 1024 VAL HA A 933 GLU HBy 1.0 1.8 6.0 53 53 A 933 GLU HGy A 1024 VAL HA 1.0 1.8 6.0 54 54 A 1018 HIS HD2 A 939 SER HBx 1.0 1.8 6.0 55 55 A 1018 HIS HD2 A 939 SER HBy 1.0 1.8 6.0 56 56 A 927 HIS HA A 1030 ASP HA 1.0 1.8 6.0 57 57 A 927 HIS HBy A 1030 ASP HA 1.0 1.8 6.0 58 58 A 927 HIS HBx A 1030 ASP HA 1.0 1.8 6.0 59 59 A 927 HIS HA A 1030 ASP HBy 1.0 1.8 6.0 60 60 A 929 GLU HBy A 973 TRP HZ3 1.0 1.8 6.0 61 61 A 973 TRP HZ3 A 929 GLU HBx 1.0 1.8 6.0 62 62 A 929 GLU HA A 973 TRP HZ3 1.0 1.8 6.0 63 63 A 933 GLU HA A 980 TRP HZ3 1.0 1.8 6.0 64 64 A 933 GLU HA A 980 TRP HE3 1.0 1.8 6.0 65 65 A 933 GLU HGy A 1022 ARG HDx 1.0 1.8 6.0 66 66 A 1020 ARG HBy A 937 ASN HA 1.0 1.8 6.0 67 67 A 1020 ARG HBx A 937 ASN HA 1.0 1.8 6.0 68 68 A 948 PRO HA A 938 GLU HA 1.0 1.8 6.0 69 69 A 938 GLU HA A 949 ALA HA 1.0 1.8 6.0 70 70 A 939 SER HA A 949 ALA HA 1.0 1.8 6.0 71 71 A 939 SER HBy A 949 ALA HA 1.0 1.8 6.0 72 72 A 939 SER HBx A 949 ALA HA 1.0 1.8 6.0 73 73 A 939 SER HBy A 946 TRP HZ3 1.0 1.8 6.0 74 74 A 939 SER HBx A 946 TRP HZ3 1.0 1.8 6.0 75 75 A 946 TRP HE3 A 939 SER HA 1.0 1.8 6.0 76 76 A 946 TRP HE3 A 940 ARG HA 1.0 1.8 6.0 77 77 A 943 GLY HAx A 1014 MET HGy 1.0 1.8 6.0 78 78 A 946 TRP HA A 940 ARG HDx 1.0 1.8 6.0 79 79 A 946 TRP HA A 938 GLU HBx 1.0 1.8 6.0 80 80 A 946 TRP HA A 940 ARG HBy 1.0 1.8 6.0 81 81 A 946 TRP HA A 940 ARG HBx 1.0 1.8 6.0 82 82 A 946 TRP HA A 940 ARG HDy 1.0 1.8 6.0 83 83 A 946 TRP HA A 940 ARG HGx 1.0 1.8 6.0 84 84 A 960 LYS HGy A 951 ASP HA 1.0 1.8 6.0 85 85 A 960 LYS HGy A 951 ASP HBy 1.0 1.8 6.0 86 86 A 960 LYS HGy A 951 ASP HBx 1.0 1.8 6.0 87 87 A 960 LYS HDy A 951 ASP HA 1.0 1.8 6.0 88 88 A 953 TYR HA A 963 SER HBy 1.0 1.8 6.0 89 89 A 953 TYR HBy A 963 SER HA 1.0 1.8 6.0 90 90 A 953 TYR HBx A 963 SER HA 1.0 1.8 6.0 91 91 A 960 LYS HA A 951 ASP HBy 1.0 1.8 6.0 92 92 A 951 ASP HBy A 960 LYS HBy 1.0 1.8 6.0 93 93 A 951 ASP HBy A 960 LYS HBx 1.0 1.8 6.0 94 94 A 960 LYS HGx A 951 ASP HBy 1.0 1.8 6.0 95 95 A 960 LYS HA A 951 ASP HBx 1.0 1.8 6.0 96 96 A 951 ASP HBx A 960 LYS HBy 1.0 1.8 6.0 97 97 A 951 ASP HBx A 960 LYS HBx 1.0 1.8 6.0 98 98 A 960 LYS HGx A 951 ASP HBx 1.0 1.8 6.0 99 99 A 954 THR HA A 960 LYS HBy 1.0 1.8 6.0 100 100 A 954 THR HA A 960 LYS HBx 1.0 1.8 6.0 101 101 A 964 PRO HBy A 979 ALA HA 1.0 1.8 6.0 102 102 A 964 PRO HBx A 980 TRP HA 1.0 1.8 6.0 103 103 A 964 PRO HA A 980 TRP HH2 1.0 1.8 6.0 104 104 A 964 PRO HA A 980 TRP HD1 1.0 1.8 6.0 105 105 A 964 PRO HA A 980 TRP HZ2 1.0 1.8 6.0 106 106 A 964 PRO HBy A 980 TRP HD1 1.0 1.8 6.0 107 107 A 964 PRO HBy A 980 TRP HZ2 1.0 1.8 6.0 108 108 A 964 PRO HBx A 980 TRP HZ2 1.0 1.8 6.0 109 109 A 964 PRO HBx A 980 TRP HD1 1.0 1.8 6.0 110 110 A 964 PRO HDx A 953 TYR HA 1.0 1.8 6.0 111 111 A 964 PRO HDy A 953 TYR HA 1.0 1.8 6.0 112 112 A 967 LEU HBy A 975 TRP HZ2 1.0 1.8 6.0 113 113 A 967 LEU HBx A 975 TRP HZ2 1.0 1.8 6.0 114 114 A 968 THR HA A 975 TRP HZ2 1.0 1.8 6.0 115 115 A 975 TRP HZ2 A 969 CYS HA 1.0 1.8 6.0 116 116 A 975 TRP HD1 A 969 CYS HBy 1.0 1.8 6.0 117 117 A 972 GLY HAy A 1033 GLN HBx 1.0 1.8 6.0 118 118 A 972 GLY HAx A 1033 GLN HBx 1.0 1.8 6.0 119 119 A 975 TRP HA A 1027 ARG HBx 1.0 1.8 6.0 120 120 A 975 TRP HA A 1027 ARG HBy 1.0 1.8 6.0 121 121 A 975 TRP HBy A 1027 ARG HA 1.0 1.8 6.0 122 122 A 975 TRP HBx A 1027 ARG HA 1.0 1.8 6.0 123 123 A 976 GLU HA A 1027 ARG HA 1.0 1.8 6.0 124 124 A 1025 ARG HA A 977 ASP HBy 1.0 1.8 6.0 125 125 A 1025 ARG HA A 977 ASP HBx 1.0 1.8 6.0 126 126 A 1025 ARG HBy A 979 ALA HA 1.0 1.8 6.0 127 127 A 1023 LEU HBx A 980 TRP HA 1.0 1.8 6.0 128 128 A 980 TRP HA A 1025 ARG HDy 1.0 1.8 6.0 129 129 A 980 TRP HA A 1025 ARG HBx 1.0 1.8 6.0 130 130 A 980 TRP HA A 1025 ARG HBy 1.0 1.8 6.0 131 131 A 1023 LEU HG A 982 TYR HA 1.0 1.8 6.0 132 132 A 1023 LEU HG A 982 TYR HBy 1.0 1.8 6.0 133 133 A 1023 LEU HG A 982 TYR HBx 1.0 1.8 6.0 134 134 A 982 TYR HA A 1021 ARG HDy 1.0 1.8 6.0 135 135 A 982 TYR HBx A 1021 ARG HDy 1.0 1.8 6.0 136 136 A 982 TYR HBy A 1021 ARG HDy 1.0 1.8 6.0 137 137 A 992 GLY HAx A 982 TYR HBy 1.0 1.8 6.0 138 138 A 992 GLY HAx A 982 TYR HBx 1.0 1.8 6.0 139 139 A 1022 ARG HDx A 983 ASP HBy 1.0 1.8 6.0 140 140 A 1022 ARG HDx A 983 ASP HBx 1.0 1.8 6.0 141 141 A 1022 ARG HBx A 983 ASP HBy 1.0 1.8 6.0 142 142 A 1022 ARG HBx A 983 ASP HBx 1.0 1.8 6.0 143 143 A 988 VAL HB A 1010 ALA HA 1.0 1.8 6.0 144 144 A 993 TRP HBx A 1019 ARG HDy 1.0 1.8 6.0 145 145 A 993 TRP HBx A 1019 ARG HDx 1.0 1.8 6.0 146 146 A 993 TRP HBy A 1020 ARG HA 1.0 1.8 6.0 147 147 A 1008 TRP HBx A 994 GLU HBx 1.0 1.8 6.0 148 148 A 994 GLU HGx A 1008 TRP HBx 1.0 1.8 6.0 149 149 A 1008 TRP HBx A 994 GLU HBy 1.0 1.8 6.0 150 150 A 1008 TRP HBy A 994 GLU HBy 1.0 1.8 6.0 151 151 A 1008 TRP HBy A 994 GLU HBx 1.0 1.8 6.0 152 152 A 1016 HIS HD2 A 995 TYR HA 1.0 1.8 6.0 153 153 A 996 GLY HAx A 1005 PRO HBy 1.0 1.8 6.0 154 154 A 996 GLY HAy A 1005 PRO HGx 1.0 1.8 6.0 155 155 A 996 GLY HAy A 1005 PRO HGy 1.0 1.8 6.0 156 156 A 996 GLY HAy A 1005 PRO HBx 1.0 1.8 6.0 157 157 A 996 GLY HAx A 1005 PRO HBx 1.0 1.8 6.0 158 158 A 996 GLY HAy A 1018 HIS HBx 1.0 1.8 6.0 159 159 A 996 GLY HAy A 1005 PRO HA 1.0 1.8 6.0 160 160 A 996 GLY HAx A 1005 PRO HA 1.0 1.8 6.0 161 161 A 996 GLY HAy A 1016 HIS HD2 1.0 1.8 6.0 162 162 A 996 GLY HAx A 1016 HIS HD2 1.0 1.8 6.0 163 163 A 996 GLY HAx A 1008 TRP HE3 1.0 1.8 6.0 164 164 A 996 GLY HAy A 1008 TRP HZ2 1.0 1.8 6.0 165 165 A 997 ILE HA A 1018 HIS HBy 1.0 1.8 6.0 166 166 A 997 ILE HB A 1015 TYR HBy 1.0 1.8 6.0 167 167 A 997 ILE HA A 1016 HIS HBy 1.0 1.8 6.0 168 168 A 997 ILE HB A 1016 HIS HBy 1.0 1.8 6.0 169 169 A 998 THR HA A 1005 PRO HBy 1.0 1.8 6.0 170 170 A 999 ILE HA A 942 PRO HGx 1.0 1.8 6.0 171 171 A 998 THR HA A 1005 PRO HBx 1.0 1.8 6.0 172 172 A 996 GLY HAy A 1005 PRO HBy 1.0 1.8 6.0 173 173 A 1018 HIS HBy A 1005 PRO HGx 1.0 1.8 6.0 174 174 A 1018 HIS HBy A 1005 PRO HGy 1.0 1.8 6.0 175 175 A 1018 HIS HBx A 1005 PRO HBx 1.0 1.8 6.0 176 176 A 1018 HIS HBx A 1005 PRO HDx 1.0 1.8 6.0 177 177 A 1018 HIS HBx A 1005 PRO HDy 1.0 1.8 6.0 178 178 A 1018 HIS HBx A 1005 PRO HGy 1.0 1.8 6.0 179 179 A 1018 HIS HBx A 1005 PRO HGx 1.0 1.8 6.0 180 180 A 994 GLU HGx A 1008 TRP HA 1.0 1.8 6.0 181 181 A 994 GLU HGx A 1008 TRP HBy 1.0 1.8 6.0 182 182 A 1008 TRP HA A 994 GLU HBy 1.0 1.8 6.0 183 183 A 1008 TRP HA A 994 GLU HBx 1.0 1.8 6.0 184 184 A 943 GLY HAx A 1014 MET HGx 1.0 1.8 6.0 185 185 A 997 ILE HG1x A 1016 HIS HA 1.0 1.8 6.0 186 186 A 997 ILE HA A 1016 HIS HBx 1.0 1.8 6.0 187 187 A 940 ARG HDy A 1017 THR HA 1.0 1.8 6.0 188 188 A 940 ARG HGx A 1017 THR HA 1.0 1.8 6.0 189 189 A 996 GLY HAy A 1018 HIS HBy 1.0 1.8 6.0 190 190 A 1018 HIS HBx A 1008 TRP HZ3 1.0 1.8 6.0 191 191 A 1018 HIS HBy A 1008 TRP HZ3 1.0 1.8 6.0 192 192 A 1018 HIS HBx A 1008 TRP HH2 1.0 1.8 6.0 193 193 A 1018 HIS HBy A 1008 TRP HH2 1.0 1.8 6.0 194 194 A 1008 TRP HE3 A 1019 ARG HA 1.0 1.8 6.0 195 195 A 1019 ARG HA A 1008 TRP HH2 1.0 1.8 6.0 196 196 A 1019 ARG HA A 1008 TRP HZ3 1.0 1.8 6.0 197 197 A 935 TYR HBx A 1020 ARG HA 1.0 1.8 6.0 198 198 A 1020 ARG HA A 937 ASN HBx 1.0 1.8 6.0 199 199 A 935 TYR HBx A 1020 ARG HBy 1.0 1.8 6.0 200 200 A 935 TYR HBx A 1020 ARG HBx 1.0 1.8 6.0 201 201 A 1020 ARG HA A 937 ASN HBy 1.0 1.8 6.0 202 202 A 935 TYR HBy A 1020 ARG HBy 1.0 1.8 6.0 203 203 A 935 TYR HBy A 1020 ARG HBx 1.0 1.8 6.0 204 204 A 1022 ARG HGy A 983 ASP HBx 1.0 1.8 6.0 205 205 A 1022 ARG HGx A 983 ASP HBx 1.0 1.8 6.0 206 206 A 1022 ARG HBy A 983 ASP HBx 1.0 1.8 6.0 207 207 A 1022 ARG HA A 983 ASP HBx 1.0 1.8 6.0 208 208 A 1022 ARG HA A 983 ASP HBy 1.0 1.8 6.0 209 209 A 1022 ARG HBy A 983 ASP HBy 1.0 1.8 6.0 210 210 A 1022 ARG HGy A 983 ASP HBy 1.0 1.8 6.0 211 211 A 1023 LEU HG A 936 GLN HBx 1.0 1.8 6.0 212 212 A 1023 LEU HA A 980 TRP HE3 1.0 1.8 6.0 213 213 A 1023 LEU HBx A 980 TRP HE3 1.0 1.8 6.0 214 214 A 1023 LEU HBy A 980 TRP HE3 1.0 1.8 6.0 215 215 A 1023 LEU HG A 980 TRP HE3 1.0 1.8 6.0 216 216 A 1024 VAL HA A 980 TRP HE3 1.0 1.8 6.0 217 217 A 1024 VAL HA A 980 TRP HZ3 1.0 1.8 6.0 218 218 A 933 GLU HA A 1024 VAL HB 1.0 1.8 6.0 219 219 A 931 THR HB A 1024 VAL HB 1.0 1.8 6.0 220 220 A 931 THR HA A 1025 ARG HA 1.0 1.8 6.0 221 221 A 1025 ARG HA A 977 ASP HA 1.0 1.8 6.0 222 222 A 975 TRP HE3 A 1025 ARG HA 1.0 1.8 6.0 223 223 A 973 TRP HBy A 1027 ARG HA 1.0 1.8 6.0 224 224 A 973 TRP HE3 A 1027 ARG HA 1.0 1.8 6.0 225 225 A 973 TRP HE3 A 1027 ARG HBx 1.0 1.8 6.0 226 226 A 975 TRP HE3 A 1027 ARG HA 1.0 1.8 6.0 227 227 A 1028 LYS HA A 973 TRP HZ3 1.0 1.8 6.0 228 228 A 1028 LYS HA A 973 TRP HE3 1.0 1.8 6.0 229 229 A 1029 LYS HA A 973 TRP HBx 1.0 1.8 6.0 230 230 A 1029 LYS HA A 928 THR HB 1.0 1.8 6.0 231 231 A 1029 LYS HBy A 928 THR HB 1.0 1.8 6.0 232 232 A 1029 LYS HBx A 928 THR HB 1.0 1.8 6.0 233 233 A 928 THR HA A 1029 LYS HBx 1.0 1.8 6.0 234 234 A 928 THR HA A 1029 LYS HBy 1.0 1.8 6.0 235 235 A 1029 LYS HBx A 973 TRP HZ3 1.0 1.8 6.0 236 236 A 1029 LYS HGx A 928 THR HB 1.0 1.8 6.0 237 237 A 1029 LYS HGy A 928 THR HB 1.0 1.8 6.0 238 238 A 993 TRP HBy A 1019 ARG HDy 1.0 1.8 6.0 239 239 A 935 TYR HA A 1022 ARG HBx 1.0 1.8 6.0 240 240 A 946 TRP HA A 939 SER HA 1.0 1.8 6.0 241 241 A 953 TYR HA A 936 GLN HBy 1.0 1.8 6.0 242 242 A 953 TYR HA A 936 GLN HBx 1.0 1.8 6.0 243 243 A 973 TRP HBy A 1027 ARG HBy 1.0 1.8 6.0 244 244 A 973 TRP HBx A 1027 ARG HBx 1.0 1.8 6.0 245 245 A 1022 ARG HDx A 983 ASP HA 1.0 1.8 6.0 246 246 A 1022 ARG HBy A 983 ASP HA 1.0 1.8 6.0 247 247 A 935 TYR HBy A 955 ASP HA 1.0 1.8 6.0 248 248 A 1028 LYS HGx A 976 GLU HA 1.0 1.8 6.0 249 249 A 1029 LYS HA A 973 TRP HBy 1.0 1.8 6.0 250 250 A 984 ILE HA A 992 GLY HAy 1.0 1.8 6.0 251 251 A 984 ILE HA A 992 GLY HAx 1.0 1.8 6.0 252 252 A 997 ILE HB A 1016 HIS HBx 1.0 1.8 6.0 253 253 A 935 TYR HBy A 1020 ARG HGy 1.0 1.8 6.0 254 254 A 973 TRP HE3 A 1027 ARG HDx 1.0 1.8 6.0 255 255 A 973 TRP HE3 A 1027 ARG HDy 1.0 1.8 6.0 256 256 A 973 TRP HBx A 1027 ARG HDy 1.0 1.8 6.0 257 257 A 973 TRP HBx A 1027 ARG HDx 1.0 1.8 6.0 258 258 A 973 TRP HBy A 1027 ARG HDx 1.0 1.8 6.0 259 259 A 973 TRP HBy A 1027 ARG HBx 1.0 1.8 6.0 260 260 A 1020 ARG HA A 993 TRP HZ3 1.0 1.8 6.0 261 261 A 929 GLU HA A 973 TRP HE3 1.0 1.8 6.0 262 262 A 933 GLU HGy A 1022 ARG HGx 1.0 1.8 6.0 263 263 A 939 SER HA A 1017 THR HA 1.0 1.8 6.0 264 264 A 982 TYR HA A 1022 ARG HA 1.0 1.8 6.0 265 265 A 992 GLY HAy A 982 TYR HBy 1.0 1.8 6.0 266 266 A 992 GLY HAy A 982 TYR HBx 1.0 1.8 6.0 267 267 A 1018 HIS HBx A 1005 PRO HBy 1.0 1.8 6.0 268 268 A 946 TRP HE3 A 940 ARG HDx 1.0 1.8 6.0 269 269 A 1016 HIS HBy A 946 TRP HH2 1.0 1.8 6.0 270 270 A 998 THR HA A 1005 PRO HDx 1.0 1.8 6.0 271 271 A 998 THR HA A 1005 PRO HDy 1.0 1.8 6.0 272 272 A 1025 ARG HBx A 932 ASP HBx 1.0 1.8 6.0 273 273 A 1025 ARG HDx A 979 ALA HA 1.0 1.8 6.0 274 274 A 960 LYS HA A 954 THR HB 1.0 1.8 6.0 275 275 A 1022 ARG HDy A 983 ASP HBy 1.0 1.8 6.0 276 276 A 935 TYR HBx A 1020 ARG HGx 1.0 1.8 6.0 277 277 A 1008 TRP HE3 A 995 TYR HA 1.0 1.8 6.0 278 278 A 996 GLY HAx A 1005 PRO HGy 1.0 1.8 6.0 279 279 A 943 GLY HAy A 1014 MET HGy 1.0 1.8 6.0 280 280 A 1022 ARG HDy A 983 ASP HBx 1.0 1.8 6.0 281 281 A 931 THR HA A 1027 ARG HDx 1.0 1.8 6.0 282 282 A 993 TRP HA A 1019 ARG HDx 1.0 1.8 6.0 283 283 A 993 TRP HE3 A 1019 ARG HDx 1.0 1.8 6.0 284 284 A 932 ASP HBy A 980 TRP HZ2 1.0 1.8 6.0 285 285 A 932 ASP HBx A 980 TRP HZ2 1.0 1.8 6.0 286 286 A 938 GLU HA A 948 PRO HDx 1.0 1.8 6.0 287 287 A 942 PRO HA A 1015 TYR HA 1.0 1.8 6.0 288 288 A 1011 ALA H A 995 TYR HA 1.0 1.8 6.0 289 289 A 946 TRP HBx A 939 SER HA 1.0 1.8 6.0 290 290 A 1019 ARG HDy A 993 TRP HA 1.0 1.8 6.0 291 291 A 992 GLY HAx A 1021 ARG HDx 1.0 1.8 6.0 292 292 A 927 HIS HBx A 973 TRP HZ3 1.0 1.8 6.0 293 293 A 927 HIS HBy A 973 TRP HZ3 1.0 1.8 6.0 294 294 A 1025 ARG HBx A 932 ASP HBy 1.0 1.8 6.0 295 295 A 934 VAL HB A 980 TRP HH2 1.0 1.8 6.0 296 296 A 935 TYR HBx A 1022 ARG HA 1.0 1.8 6.0 297 297 A 936 GLN HA A 952 THR HB 1.0 1.8 6.0 298 298 A 936 GLN HA A 952 THR HA 1.0 1.8 6.0 299 299 A 936 GLN HA A 953 TYR HBy 1.0 1.8 6.0 300 300 A 946 TRP HE3 A 938 GLU HBy 1.0 1.8 6.0 301 301 A 938 GLU HBy A 946 TRP HZ3 1.0 1.8 6.0 302 302 A 946 TRP HE3 A 938 GLU HBx 1.0 1.8 6.0 303 303 A 946 TRP HZ3 A 938 GLU HBx 1.0 1.8 6.0 304 304 A 948 PRO HA A 938 GLU HBy 1.0 1.8 6.0 305 305 A 946 TRP HBx A 938 GLU HBy 1.0 1.8 6.0 306 306 A 946 TRP HBy A 938 GLU HBy 1.0 1.8 6.0 307 307 A 946 TRP HBy A 938 GLU HBx 1.0 1.8 6.0 308 308 A 946 TRP HBx A 938 GLU HBx 1.0 1.8 6.0 309 309 A 948 PRO HA A 938 GLU HBx 1.0 1.8 6.0 310 310 A 1015 TYR HA A 942 PRO HBy 1.0 1.8 6.0 311 311 A 937 ASN HBx A 949 ALA HA 1.0 1.8 6.0 312 312 A 954 THR HA A 960 LYS HGy 1.0 1.8 6.0 313 313 A 960 LYS HDx A 951 ASP HA 1.0 1.8 6.0 314 314 A 953 TYR HA A 963 SER HA 1.0 1.8 6.0 315 315 A 928 THR HA A 1029 LYS HEy 1.0 1.8 6.0 316 316 A 976 GLU HA A 1028 LYS HEy 1.0 1.8 6.0 317 317 A 1025 ARG HBy A 977 ASP HBy 1.0 1.8 6.0 318 318 A 1025 ARG HBy A 977 ASP HBx 1.0 1.8 6.0 319 319 A 1025 ARG HBx A 977 ASP HBx 1.0 1.8 6.0 320 320 A 988 VAL HA A 994 GLU HBx 1.0 1.8 6.0 321 321 A 994 GLU HA A 988 VAL HB 1.0 1.8 6.0 322 322 A 992 GLY HAx A 1021 ARG HA 1.0 1.8 6.0 323 323 A 992 GLY HAy A 1021 ARG HA 1.0 1.8 6.0 324 324 A 992 GLY HAy A 1021 ARG HDy 1.0 1.8 6.0 325 325 A 992 GLY HAx A 1021 ARG HDy 1.0 1.8 6.0 326 326 A 994 GLU HGx A 1020 ARG HGy 1.0 1.8 6.0 327 327 A 995 TYR HA A 1008 TRP HZ3 1.0 1.8 6.0 328 328 A 997 ILE HG1y A 1016 HIS HA 1.0 1.8 6.0 329 329 A 1010 ALA HA A 994 GLU HBx 1.0 1.8 6.0 330 330 A 948 PRO HA A 938 GLU HGy 1.0 1.8 6.0 331 331 A 948 PRO HA A 938 GLU HGx 1.0 1.8 6.0 332 332 A 993 TRP HE3 A 1021 ARG HA 1.0 1.8 6.0 333 333 A 982 TYR HBy A 1021 ARG HDx 1.0 1.8 6.0 334 334 A 982 TYR HBx A 1021 ARG HDx 1.0 1.8 6.0 335 335 A 936 GLN HBx A 1021 ARG HGx 1.0 1.8 6.0 336 336 A 936 GLN HBx A 1021 ARG HGy 1.0 1.8 6.0 337 337 A 1022 ARG HGx A 933 GLU HBy 1.0 1.8 6.0 338 338 A 1026 LYS HBx A 929 GLU HBx 1.0 1.8 6.0 339 339 A 970 PRO HDx A 1027 ARG HDx 1.0 1.8 6.0 340 340 A 970 PRO HDx A 1027 ARG HDy 1.0 1.8 6.0 341 341 A 1029 LYS HA A 973 TRP HE3 1.0 1.8 6.0 342 342 A 1029 LYS HGy A 973 TRP HZ3 1.0 1.8 6.0 343 343 A 1029 LYS HGx A 973 TRP HZ3 1.0 1.8 6.0 344 344 A 939 SER HA A 1017 THR HB 1.0 1.8 6.0 345 345 A 969 CYS HA A 1027 ARG HDx 1.0 1.8 6.0 346 346 A 942 PRO HGy A 1015 TYR HA 1.0 1.8 6.0 347 347 A 1005 PRO HA A 998 THR HB 1.0 1.8 6.0 348 348 A 1004 LYS HA A 998 THR HB 1.0 1.8 6.0 349 349 A 936 GLN H A 1021 ARG H 1.0 1.8 5.0 350 350 A 1023 LEU H A 934 VAL H 1.0 1.8 5.0 351 351 A 954 THR HA A 961 ALA H 1.0 1.8 5.0 352 352 A 1027 ARG HA A 974 GLU H 1.0 1.8 5.0 353 353 A 1028 LYS H A 974 GLU H 1.0 1.8 5.0 354 354 A 1018 HIS H A 996 GLY H 1.0 1.8 5.0 355 355 A 938 GLU H A 1019 ARG H 1.0 1.8 5.0 356 356 A 931 THR HA A 1025 ARG H 1.0 1.8 5.0 357 357 A 930 PHE H A 1027 ARG H 1.0 1.8 5.0 358 358 A 1024 VAL H A 981 SER H 1.0 1.8 5.0 359 359 A 929 GLU HA A 1029 LYS H 1.0 1.8 3.0 360 360 A 927 HIS HBy A 1030 ASP H 1.0 1.8 3.5 361 361 A 927 HIS HA A 1030 ASP H 1.0 1.8 5.0 362 362 A 994 GLU H A 1020 ARG H 1.0 1.8 5.0 363 363 A 1019 ARG HA A 996 GLY H 1.0 1.8 5.0 364 364 A 949 ALA H A 939 SER H 1.0 1.8 5.0 365 365 A 949 ALA H A 938 GLU HBx 1.0 1.8 5.0 366 366 A 935 TYR H A 954 THR H 1.0 1.8 5.0 367 367 A 961 ALA H A 954 THR HB 1.0 1.8 5.0 368 368 A 932 ASP H A 1027 ARG H 1.0 1.8 5.0 369 369 A 932 ASP H A 1025 ARG H 1.0 1.8 5.0 370 370 A 1024 VAL HA A 934 VAL H 1.0 1.8 5.0 371 371 A 1022 ARG HA A 934 VAL H 1.0 1.8 5.0 372 372 A 1022 ARG HGx A 934 VAL H 1.0 1.8 5.0 373 373 A 1027 ARG HA A 976 GLU H 1.0 1.8 5.0 374 374 A 977 ASP H A 1026 LYS H 1.0 1.8 5.0 375 375 A 1011 ALA H A 995 TYR H 1.0 1.8 5.0 376 376 A 952 THR HA A 937 ASN H 1.0 1.8 5.0 377 377 A 940 ARG H A 1017 THR HA 1.0 1.8 5.0 378 378 A 1029 LYS HA A 974 GLU H 1.0 1.8 5.0 379 379 A 1020 ARG HA A 938 GLU H 1.0 1.8 5.0 380 380 A 933 GLU HA A 1025 ARG H 1.0 1.8 5.0 381 381 A 974 GLU H A 1030 ASP H 1.0 1.8 5.0 382 382 A 1027 ARG HA A 977 ASP H 1.0 1.8 5.0 383 383 A 994 GLU H A 1021 ARG HB2 1.0 1.8 5.0 384 384 A 1021 ARG H A 937 ASN HA 1.0 1.8 5.0 385 385 A 933 GLU HA A 1023 LEU H 1.0 1.8 5.0 386 386 A 977 ASP HBx A 1026 LYS H 1.0 1.8 5.0 387 387 A 977 ASP HBy A 1026 LYS H 1.0 1.8 5.0 388 388 A 933 GLU HBx A 1025 ARG H 1.0 1.8 5.0 389 389 A 931 THR HA A 1027 ARG H 1.0 1.8 5.0 390 390 A 1031 LEU H A 928 THR H 1.0 1.8 5.0 391 391 A 1026 LYS HA A 932 ASP H 1.0 1.8 5.0 392 392 A 1029 LYS H A 930 PHE H 1.0 1.8 5.0 393 393 A 1026 LYS HA A 930 PHE H 1.0 1.8 5.0 394 394 A 1026 LYS HA A 931 THR H 1.0 1.8 5.0 395 395 A 1024 VAL HA A 932 ASP H 1.0 1.8 5.0 396 396 A 932 ASP H A 975 TRP HZ3 1.0 1.8 5.0 397 397 A 1020 ARG HA A 936 GLN H 1.0 1.8 5.0 398 398 A 1022 ARG HA A 936 GLN H 1.0 1.8 5.0 399 399 A 1023 LEU HG A 936 GLN H 1.0 1.8 5.0 400 400 A 936 GLN H A 1021 ARG HGy 1.0 1.8 5.0 401 401 A 938 GLU H A 993 TRP HZ3 1.0 1.8 5.0 402 402 A 939 SER H A 947 LYS H 1.0 1.8 5.0 403 403 A 946 TRP HA A 939 SER H 1.0 1.8 5.0 404 404 A 948 PRO HA A 939 SER H 1.0 1.8 5.0 405 405 A 939 SER H A 946 TRP HZ3 1.0 1.8 5.0 406 406 A 946 TRP HE3 A 939 SER H 1.0 1.8 5.0 407 407 A 946 TRP HE3 A 940 ARG H 1.0 1.8 5.0 408 408 A 940 ARG H A 946 TRP HZ3 1.0 1.8 5.0 409 409 A 940 ARG H A 1017 THR HB 1.0 1.8 5.0 410 410 A 946 TRP H A 938 GLU HBy 1.0 1.8 5.0 411 411 A 1019 ARG HDy A 946 TRP HE1 1.0 1.8 5.0 412 412 A 940 ARG HDy A 946 TRP HE1 1.0 1.8 5.0 413 413 A 1019 ARG HDx A 946 TRP HE1 1.0 1.8 5.0 414 414 A 940 ARG HDx A 946 TRP HE1 1.0 1.8 5.0 415 415 A 940 ARG HA A 947 LYS H 1.0 1.8 5.0 416 416 A 940 ARG HBy A 947 LYS H 1.0 1.8 5.0 417 417 A 937 ASN HBx A 949 ALA H 1.0 1.8 5.0 418 418 A 936 GLN HA A 954 THR H 1.0 1.8 5.0 419 419 A 934 VAL HA A 954 THR H 1.0 1.8 5.0 420 420 A 935 TYR HBx A 954 THR H 1.0 1.8 5.0 421 421 A 935 TYR HBy A 954 THR H 1.0 1.8 5.0 422 422 A 975 TRP HZ2 A 969 CYS H 1.0 1.8 5.0 423 423 A 954 THR HA A 960 LYS H 1.0 1.8 5.0 424 424 A 953 TYR HBy A 961 ALA H 1.0 1.8 5.0 425 425 A 961 ALA H A 951 ASP HBy 1.0 1.8 5.0 426 426 A 967 LEU H A 980 TRP HZ2 1.0 1.8 5.0 427 427 A 1028 LYS HGx A 974 GLU H 1.0 1.8 5.0 428 428 A 1027 ARG HBx A 974 GLU H 1.0 1.8 5.0 429 429 A 993 TRP HE1 A 1021 ARG HDx 1.0 1.8 5.0 430 430 A 975 TRP H A 1033 GLN HE22 1.0 1.8 5.0 431 431 A 979 ALA H A 1025 ARG HE 1.0 1.8 5.0 432 432 A 1025 ARG HDx A 979 ALA H 1.0 1.8 5.0 433 433 A 1025 ARG HDy A 981 SER H 1.0 1.8 5.0 434 434 A 1023 LEU HBx A 981 SER H 1.0 1.8 5.0 435 435 A 1023 LEU HBy A 981 SER H 1.0 1.8 5.0 436 436 A 1025 ARG HA A 981 SER H 1.0 1.8 5.0 437 437 A 1022 ARG HBx A 983 ASP H 1.0 1.8 5.0 438 438 A 1022 ARG HBy A 983 ASP H 1.0 1.8 5.0 439 439 A 1022 ARG HDx A 983 ASP H 1.0 1.8 5.0 440 440 A 989 ASP H A 1010 ALA HA 1.0 1.8 5.0 441 441 A 1019 ARG HA A 994 GLU H 1.0 1.8 5.0 442 442 A 1008 TRP HE3 A 995 TYR H 1.0 1.8 5.0 443 443 A 1008 TRP HBy A 995 TYR H 1.0 1.8 5.0 444 444 A 1008 TRP HBx A 995 TYR H 1.0 1.8 5.0 445 445 A 1008 TRP HE3 A 996 GLY H 1.0 1.8 5.0 446 446 A 1005 PRO HA A 997 ILE H 1.0 1.8 5.0 447 447 A 1005 PRO HBy A 997 ILE H 1.0 1.8 5.0 448 448 A 1025 ARG HDx A 980 TRP HE1 1.0 1.8 5.0 449 449 A 1009 VAL H A 994 GLU HBx 1.0 1.8 5.0 450 450 A 997 ILE HA A 1017 THR H 1.0 1.8 5.0 451 451 A 997 ILE HB A 1017 THR H 1.0 1.8 5.0 452 452 A 946 TRP HH2 A 1019 ARG H 1.0 1.8 5.0 453 453 A 946 TRP HZ3 A 1019 ARG H 1.0 1.8 5.0 454 454 A 1008 TRP HE3 A 1020 ARG H 1.0 1.8 5.0 455 455 A 1008 TRP HH2 A 1020 ARG H 1.0 1.8 5.0 456 456 A 1008 TRP HZ3 A 1020 ARG H 1.0 1.8 5.0 457 457 A 993 TRP HA A 1020 ARG H 1.0 1.8 5.0 458 458 A 994 GLU HGy A 1020 ARG H 1.0 1.8 5.0 459 459 A 994 GLU HGx A 1020 ARG H 1.0 1.8 5.0 460 460 A 937 ASN H A 1021 ARG H 1.0 1.8 5.0 461 461 A 1021 ARG H A 993 TRP HZ3 1.0 1.8 5.0 462 462 A 936 GLN HBx A 1021 ARG H 1.0 1.8 5.0 463 463 A 936 GLN HBy A 1021 ARG H 1.0 1.8 5.0 464 464 A 982 TYR HBx A 1022 ARG H 1.0 1.8 5.0 465 465 A 1023 LEU H A 980 TRP HBy 1.0 1.8 5.0 466 466 A 980 TRP HE3 A 1024 VAL H 1.0 1.8 5.0 467 467 A 980 TRP HA A 1024 VAL H 1.0 1.8 5.0 468 468 A 980 TRP HBx A 1024 VAL H 1.0 1.8 5.0 469 469 A 934 VAL H A 1025 ARG H 1.0 1.8 5.0 470 470 A 980 TRP HE3 A 1025 ARG H 1.0 1.8 5.0 471 471 A 980 TRP HZ3 A 1025 ARG H 1.0 1.8 5.0 472 472 A 975 TRP HE3 A 1026 LYS H 1.0 1.8 5.0 473 473 A 1026 LYS H A 977 ASP HA 1.0 1.8 5.0 474 474 A 929 GLU HGx A 1027 ARG H 1.0 1.8 5.0 475 475 A 1027 ARG H A 975 TRP HZ3 1.0 1.8 5.0 476 476 A 975 TRP HE3 A 1027 ARG H 1.0 1.8 5.0 477 477 A 975 TRP HA A 1028 LYS H 1.0 1.8 5.0 478 478 A 973 TRP HA A 1028 LYS H 1.0 1.8 5.0 479 479 A 973 TRP HE3 A 1028 LYS H 1.0 1.8 5.0 480 480 A 975 TRP HE3 A 1028 LYS H 1.0 1.8 5.0 481 481 A 1029 LYS H A 973 TRP HH2 1.0 1.8 5.0 482 482 A 973 TRP HE3 A 1029 LYS H 1.0 1.8 5.0 483 483 A 1029 LYS H A 928 THR HB 1.0 1.8 5.0 484 484 A 1030 ASP H A 928 THR HB 1.0 1.8 5.0 485 485 A 1030 ASP H A 974 GLU HBy 1.0 1.8 5.0 486 486 A 927 HIS HA A 1031 LEU H 1.0 1.8 5.0 487 487 A 933 GLU H A 980 TRP HZ3 1.0 1.8 5.0 488 488 A 936 GLN HBx A 1021 ARG HE 1.0 1.8 5.0 489 489 A 993 TRP HH2 A 1021 ARG HE 1.0 1.8 5.0 490 490 A 1014 MET HA A 940 ARG HE 1.0 1.8 5.0 491 491 A 940 ARG HE A 1017 THR HA 1.0 1.8 5.0 492 492 A 940 ARG HE A 946 TRP HZ3 1.0 1.8 5.0 493 493 A 940 ARG HE A 946 TRP HH2 1.0 1.8 5.0 494 494 A 940 ARG HE A 946 TRP HZ2 1.0 1.8 5.0 495 495 A 935 TYR HBy A 1020 ARG HE 1.0 1.8 5.0 496 496 A 1020 ARG HE A 937 ASN HA 1.0 1.8 5.0 497 497 A 933 GLU HBy A 1022 ARG HE 1.0 1.8 5.0 498 498 A 933 GLU HGy A 1022 ARG HE 1.0 1.8 5.0 499 499 A 933 GLU HGx A 1022 ARG HE 1.0 1.8 5.0 500 500 A 933 GLU HA A 1022 ARG HE 1.0 1.8 5.0 501 501 A 1027 ARG HE A 973 TRP HZ3 1.0 1.8 5.0 502 502 A 973 TRP HBy A 1027 ARG HE 1.0 1.8 5.0 503 503 A 993 TRP HH2 A 936 GLN HE22 1.0 1.8 5.0 504 504 A 993 TRP HH2 A 936 GLN HE21 1.0 1.8 5.0 505 505 A 1021 ARG HGy A 936 GLN HE21 1.0 1.8 5.0 506 506 A 936 GLN HE22 A 1021 ARG HGy 1.0 1.8 5.0 507 507 A 1026 LYS HGx A 931 THR H 1.0 1.8 5.0 508 508 A 1023 LEU HBx A 934 VAL H 1.0 1.8 5.0 509 509 A 953 TYR HA A 935 TYR H 1.0 1.8 5.0 510 510 A 946 TRP HBx A 939 SER H 1.0 1.8 5.0 511 511 A 951 ASP HBy A 960 LYS H 1.0 1.8 5.0 512 512 A 968 THR H A 975 TRP HZ2 1.0 1.8 5.0 513 513 A 976 GLU H A 1027 ARG HBy 1.0 1.8 5.0 514 514 A 1019 ARG HDx A 994 GLU H 1.0 1.8 5.0 515 515 A 980 TRP HA A 1025 ARG H 1.0 1.8 5.0 516 516 A 1026 LYS HGx A 930 PHE H 1.0 1.8 5.0 517 517 A 929 GLU H A 973 TRP HH2 1.0 1.8 5.0 518 518 A 975 TRP HE1 A 969 CYS H 1.0 1.8 5.0 519 519 A 997 ILE HA A 1018 HIS H 1.0 1.8 5.0 520 520 A 1018 HIS H A 946 TRP HZ3 1.0 1.8 5.0 521 521 A 940 ARG HGy A 1018 HIS H 1.0 1.8 5.0 522 522 A 975 TRP HE1 A 969 CYS HBy 1.0 1.8 5.0 523 523 A 975 TRP HE1 A 969 CYS HBx 1.0 1.8 5.0 524 524 A 1005 PRO HGx A 997 ILE H 1.0 1.8 5.0 525 525 A 1005 PRO HBx A 997 ILE H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1024 VAL HA A 1023 LEU HA 1.0 1.8 6.0 2 2 A 1020 ARG HA A 1021 ARG HA 1.0 1.8 6.0 3 3 A 964 PRO HA A 963 SER HA 1.0 1.8 6.0 4 4 A 964 PRO HDy A 963 SER HA 1.0 1.8 6.0 5 5 A 964 PRO HDx A 963 SER HA 1.0 1.8 6.0 6 6 A 964 PRO HGx A 963 SER HA 1.0 1.8 6.0 7 7 A 961 ALA HA A 962 ALA HA 1.0 1.8 6.0 8 8 A 990 GLU HA A 989 ASP HA 1.0 1.8 6.0 9 9 A 1011 ALA H A 1010 ALA HA 1.0 1.8 6.0 10 10 A 954 THR HA A 953 TYR HA 1.0 1.8 6.0 11 11 A 1026 LYS HA A 1027 ARG HA 1.0 1.8 6.0 12 12 A 970 PRO HA A 971 PRO HDy 1.0 1.8 6.0 13 13 A 999 ILE HA A 998 THR HA 1.0 1.8 6.0 14 14 A 950 GLU HA A 951 ASP HA 1.0 1.8 6.0 15 15 A 920 PRO HDx A 919 ASP HBy 1.0 1.8 6.0 16 16 A 920 PRO HDx A 919 ASP HA 1.0 1.8 4.0 17 17 A 920 PRO HDx A 919 ASP HBx 1.0 1.8 6.0 18 18 A 920 PRO HDy A 919 ASP HA 1.0 1.8 3.5 19 19 A 920 PRO HDy A 919 ASP HBy 1.0 1.8 6.0 20 20 A 920 PRO HDy A 919 ASP HBx 1.0 1.8 6.0 21 21 A 942 PRO HGx A 941 TYR HA 1.0 1.8 6.0 22 22 A 946 TRP HA A 945 ASP HA 1.0 1.8 6.0 23 23 A 950 GLU HA A 949 ALA HA 1.0 1.8 6.0 24 24 A 950 GLU HGy A 949 ALA HA 1.0 1.8 6.0 25 25 A 950 GLU HGx A 949 ALA HA 1.0 1.8 6.0 26 26 A 949 ALA HA A 950 GLU HBx 1.0 1.8 6.0 27 27 A 950 GLU HBy A 949 ALA HA 1.0 1.8 6.0 28 28 A 970 PRO HGy A 969 CYS HA 1.0 1.8 6.0 29 29 A 970 PRO HDy A 969 CYS HA 1.0 1.8 6.0 30 30 A 976 GLU HGy A 977 ASP HA 1.0 1.8 6.0 31 31 A 982 TYR HA A 983 ASP HA 1.0 1.8 6.0 32 32 A 990 GLU HGx A 991 LYS HA 1.0 1.8 6.0 33 33 A 986 ARG HA A 985 ASN HA 1.0 1.8 6.0 34 34 A 1028 LYS HA A 1029 LYS HA 1.0 1.8 6.0 35 35 A 953 TYR HA A 952 THR HB 1.0 1.8 6.0 36 36 A 955 ASP HA A 956 ALA HA 1.0 1.8 6.0 37 37 A 920 PRO HGx A 919 ASP HA 1.0 1.8 6.0 38 38 A 920 PRO HGy A 919 ASP HA 1.0 1.8 6.0 39 39 A 920 PRO HA A 919 ASP HA 1.0 1.8 6.0 40 40 A 927 HIS HA A 926 GLY HAx 1.0 1.8 6.0 41 41 A 927 HIS HBx A 926 GLY HAx 1.0 1.8 6.0 42 42 A 960 LYS HA A 961 ALA HA 1.0 1.8 6.0 43 43 A 970 PRO HDy A 969 CYS HBy 1.0 1.8 6.0 44 44 A 970 PRO HDy A 969 CYS HBx 1.0 1.8 6.0 45 45 A 970 PRO HDx A 969 CYS HA 1.0 1.8 6.0 46 46 A 970 PRO HDx A 969 CYS HBy 1.0 1.8 6.0 47 47 A 970 PRO HDx A 969 CYS HBx 1.0 1.8 6.0 48 48 A 998 THR HA A 999 ILE HG1y 1.0 1.8 6.0 49 49 A 1004 LYS HA A 1005 PRO HDy 1.0 1.8 6.0 50 50 A 1004 LYS HA A 1005 PRO HDx 1.0 1.8 6.0 51 51 A 1005 PRO HDx A 1004 LYS HBy 1.0 1.8 6.0 52 52 A 1005 PRO HDx A 1004 LYS HBx 1.0 1.8 6.0 53 53 A 1005 PRO HDy A 1004 LYS HBy 1.0 1.8 6.0 54 54 A 1005 PRO HDy A 1004 LYS HBx 1.0 1.8 6.0 55 55 A 927 HIS HD2 A 926 GLY HAx 1.0 1.8 6.0 56 56 A 933 GLU HA A 932 ASP HA 1.0 1.8 6.0 57 57 A 950 GLU HBy A 951 ASP HA 1.0 1.8 6.0 58 58 A 951 ASP HA A 950 GLU HBx 1.0 1.8 6.0 59 59 A 950 GLU HGy A 951 ASP HA 1.0 1.8 6.0 60 60 A 950 GLU HGx A 951 ASP HA 1.0 1.8 6.0 61 61 A 952 THR HA A 953 TYR HA 1.0 1.8 6.0 62 62 A 952 THR HA A 951 ASP HA 1.0 1.8 6.0 63 63 A 952 THR HB A 951 ASP HA 1.0 1.8 6.0 64 64 A 956 ALA HA A 957 ASN HA 1.0 1.8 6.0 65 65 A 928 THR HA A 927 HIS HBy 1.0 1.8 6.0 66 66 A 929 GLU HA A 928 THR HA 1.0 1.8 6.0 67 67 A 928 THR HA A 929 GLU HBx 1.0 1.8 6.0 68 68 A 929 GLU HA A 930 PHE HA 1.0 1.8 6.0 69 69 A 930 PHE HA A 931 THR HB 1.0 1.8 6.0 70 70 A 933 GLU HGx A 932 ASP HA 1.0 1.8 6.0 71 71 A 935 TYR HA A 934 VAL HB 1.0 1.8 6.0 72 72 A 935 TYR HBx A 934 VAL HB 1.0 1.8 6.0 73 73 A 939 SER HA A 938 GLU HBx 1.0 1.8 6.0 74 74 A 940 ARG HA A 939 SER HA 1.0 1.8 6.0 75 75 A 941 TYR HA A 942 PRO HDy 1.0 1.8 6.0 76 76 A 941 TYR HA A 942 PRO HDx 1.0 1.8 6.0 77 77 A 941 TYR HBy A 942 PRO HDx 1.0 1.8 6.0 78 78 A 941 TYR HBx A 942 PRO HDx 1.0 1.8 6.0 79 79 A 942 PRO HGx A 941 TYR HBy 1.0 1.8 6.0 80 80 A 942 PRO HGx A 941 TYR HBx 1.0 1.8 6.0 81 81 A 942 PRO HGy A 941 TYR HA 1.0 1.8 6.0 82 82 A 944 GLY HAy A 945 ASP HA 1.0 1.8 6.0 83 83 A 944 GLY HAx A 945 ASP HA 1.0 1.8 6.0 84 84 A 947 LYS HA A 948 PRO HDy 1.0 1.8 6.0 85 85 A 948 PRO HDy A 947 LYS HBy 1.0 1.8 6.0 86 86 A 947 LYS HA A 948 PRO HDx 1.0 1.8 6.0 87 87 A 948 PRO HDx A 947 LYS HBy 1.0 1.8 6.0 88 88 A 948 PRO HDx A 947 LYS HBx 1.0 1.8 6.0 89 89 A 947 LYS HGx A 948 PRO HDx 1.0 1.8 6.0 90 90 A 999 ILE HB A 1000 PRO HDx 1.0 1.8 6.0 91 91 A 999 ILE HB A 1000 PRO HDy 1.0 1.8 6.0 92 92 A 999 ILE HG1y A 1000 PRO HDx 1.0 1.8 6.0 93 93 A 999 ILE HG1y A 1000 PRO HDy 1.0 1.8 6.0 94 94 A 960 LYS HBy A 961 ALA HA 1.0 1.8 6.0 95 95 A 961 ALA HA A 960 LYS HBx 1.0 1.8 6.0 96 96 A 960 LYS HGx A 961 ALA HA 1.0 1.8 6.0 97 97 A 960 LYS HGy A 961 ALA HA 1.0 1.8 6.0 98 98 A 964 PRO HDy A 963 SER HBy 1.0 1.8 6.0 99 99 A 964 PRO HDy A 963 SER HBx 1.0 1.8 6.0 100 100 A 964 PRO HDx A 963 SER HBy 1.0 1.8 6.0 101 101 A 964 PRO HDx A 963 SER HBx 1.0 1.8 6.0 102 102 A 964 PRO HBy A 963 SER HA 1.0 1.8 6.0 103 103 A 964 PRO HBx A 963 SER HA 1.0 1.8 6.0 104 104 A 964 PRO HA A 965 SER HA 1.0 1.8 6.0 105 105 A 967 LEU HA A 968 THR HA 1.0 1.8 6.0 106 106 A 967 LEU HBy A 968 THR HA 1.0 1.8 6.0 107 107 A 967 LEU HBx A 968 THR HA 1.0 1.8 6.0 108 108 A 970 PRO HA A 971 PRO HDx 1.0 1.8 6.0 109 109 A 970 PRO HBx A 971 PRO HDx 1.0 1.8 6.0 110 110 A 970 PRO HBy A 971 PRO HDx 1.0 1.8 6.0 111 111 A 970 PRO HBx A 971 PRO HA 1.0 1.8 6.0 112 112 A 972 GLY HAy A 973 TRP HD1 1.0 1.8 6.0 113 113 A 972 GLY HAx A 973 TRP HD1 1.0 1.8 6.0 114 114 A 980 TRP HD1 A 979 ALA HA 1.0 1.8 6.0 115 115 A 982 TYR HA A 981 SER HA 1.0 1.8 6.0 116 116 A 980 TRP HA A 981 SER HA 1.0 1.8 6.0 117 117 A 982 TYR HBx A 981 SER HA 1.0 1.8 6.0 118 118 A 982 TYR HBy A 983 ASP HA 1.0 1.8 6.0 119 119 A 984 ILE HA A 985 ASN HA 1.0 1.8 6.0 120 120 A 986 ARG HA A 985 ASN HBy 1.0 1.8 6.0 121 121 A 986 ARG HBx A 987 ALA HA 1.0 1.8 6.0 122 122 A 990 GLU HA A 991 LYS HGx 1.0 1.8 6.0 123 123 A 990 GLU HA A 991 LYS HGy 1.0 1.8 6.0 124 124 A 990 GLU HA A 989 ASP HBy 1.0 1.8 6.0 125 125 A 990 GLU HA A 989 ASP HBx 1.0 1.8 6.0 126 126 A 996 GLY HAy A 997 ILE HA 1.0 1.8 6.0 127 127 A 998 THR HA A 997 ILE HA 1.0 1.8 6.0 128 128 A 998 THR HA A 997 ILE HB 1.0 1.8 6.0 129 129 A 998 THR HA A 997 ILE HG1x 1.0 1.8 6.0 130 130 A 998 THR HA A 999 ILE HB 1.0 1.8 6.0 131 131 A 999 ILE HA A 1000 PRO HDx 1.0 1.8 6.0 132 132 A 999 ILE HG1x A 1000 PRO HDx 1.0 1.8 6.0 133 133 A 1004 LYS HA A 1005 PRO HGy 1.0 1.8 6.0 134 134 A 1004 LYS HA A 1005 PRO HBy 1.0 1.8 6.0 135 135 A 1004 LYS HA A 1005 PRO HBx 1.0 1.8 6.0 136 136 A 1008 TRP HA A 1007 SER HA 1.0 1.8 6.0 137 137 A 1006 LYS HBx A 1007 SER HBx 1.0 1.8 6.0 138 138 A 1006 LYS HBx A 1007 SER HBy 1.0 1.8 6.0 139 139 A 1006 LYS HBy A 1007 SER HBx 1.0 1.8 6.0 140 140 A 1006 LYS HBy A 1007 SER HBy 1.0 1.8 6.0 141 141 A 1006 LYS HGx A 1007 SER HBx 1.0 1.8 6.0 142 142 A 1006 LYS HGx A 1007 SER HBy 1.0 1.8 6.0 143 143 A 1008 TRP HA A 1009 VAL HA 1.0 1.8 6.0 144 144 A 1008 TRP HBx A 1009 VAL HA 1.0 1.8 6.0 145 145 A 1008 TRP HBy A 1009 VAL HA 1.0 1.8 6.0 146 146 A 1009 VAL HA A 1010 ALA HA 1.0 1.8 6.0 147 147 A 1012 GLU HA A 1011 ALA HA 1.0 1.8 6.0 148 148 A 1012 GLU HA A 1013 LYS HA 1.0 1.8 6.0 149 149 A 1013 LYS HA A 1012 GLU HBy 1.0 1.8 6.0 150 150 A 1012 GLU HGx A 1013 LYS HA 1.0 1.8 6.0 151 151 A 1014 MET HGy A 1015 TYR HA 1.0 1.8 6.0 152 152 A 1014 MET HGx A 1015 TYR HA 1.0 1.8 6.0 153 153 A 1019 ARG HBx A 1020 ARG HA 1.0 1.8 6.0 154 154 A 1020 ARG HA A 1019 ARG HDx 1.0 1.8 6.0 155 155 A 1023 LEU HA A 1022 ARG HA 1.0 1.8 6.0 156 156 A 1023 LEU HBy A 1022 ARG HA 1.0 1.8 6.0 157 157 A 1023 LEU HG A 1022 ARG HA 1.0 1.8 6.0 158 158 A 1024 VAL HA A 1025 ARG HA 1.0 1.8 6.0 159 159 A 1029 LYS HA A 1030 ASP HA 1.0 1.8 6.0 160 160 A 1028 LYS HA A 1029 LYS HBy 1.0 1.8 6.0 161 161 A 1028 LYS HA A 1029 LYS HBx 1.0 1.8 6.0 162 162 A 928 THR HA A 929 GLU HBy 1.0 1.8 6.0 163 163 A 927 HIS HBy A 926 GLY HAx 1.0 1.8 6.0 164 164 A 941 TYR HBx A 942 PRO HDy 1.0 1.8 6.0 165 165 A 941 TYR HBy A 942 PRO HDy 1.0 1.8 6.0 166 166 A 963 SER HBy A 962 ALA HA 1.0 1.8 6.0 167 167 A 1012 GLU HBy A 1011 ALA HA 1.0 1.8 6.0 168 168 A 1014 MET HGx A 1015 TYR HBy 1.0 1.8 6.0 169 169 A 1029 LYS HA A 1030 ASP HBx 1.0 1.8 6.0 170 170 A 1029 LYS HA A 1030 ASP HBy 1.0 1.8 6.0 171 171 A 1028 LYS HGx A 1029 LYS HA 1.0 1.8 6.0 172 172 A 998 THR HA A 999 ILE HG1x 1.0 1.8 6.0 173 173 A 984 ILE HA A 983 ASP HA 1.0 1.8 6.0 174 174 A 933 GLU HA A 932 ASP HBy 1.0 1.8 6.0 175 175 A 1018 HIS HBy A 1019 ARG HA 1.0 1.8 6.0 176 176 A 936 GLN HA A 937 ASN HA 1.0 1.8 6.0 177 177 A 970 PRO HGx A 969 CYS HBx 1.0 1.8 6.0 178 178 A 970 PRO HA A 971 PRO HGx 1.0 1.8 6.0 179 179 A 994 GLU HA A 995 TYR HA 1.0 1.8 6.0 180 180 A 996 GLY HAx A 997 ILE HG1x 1.0 1.8 6.0 181 181 A 928 THR HA A 927 HIS HA 1.0 1.8 6.0 182 182 A 1019 ARG HDy A 1020 ARG HA 1.0 1.8 6.0 183 183 A 930 PHE HA A 929 GLU HBy 1.0 1.8 6.0 184 184 A 933 GLU HA A 934 VAL HA 1.0 1.8 6.0 185 185 A 937 ASN HA A 938 GLU HGx 1.0 1.8 6.0 186 186 A 938 GLU HA A 939 SER HBy 1.0 1.8 6.0 187 187 A 938 GLU HA A 939 SER HBx 1.0 1.8 6.0 188 188 A 942 PRO HA A 941 TYR HA 1.0 1.8 6.0 189 189 A 941 TYR HA A 940 ARG HA 1.0 1.8 6.0 190 190 A 941 TYR HA A 942 PRO HBy 1.0 1.8 6.0 191 191 A 947 LYS HA A 948 PRO HBx 1.0 1.8 6.0 192 192 A 947 LYS HA A 948 PRO HGx 1.0 1.8 6.0 193 193 A 947 LYS HA A 948 PRO HGy 1.0 1.8 6.0 194 194 A 947 LYS HA A 948 PRO HBy 1.0 1.8 6.0 195 195 A 970 PRO HGx A 969 CYS HA 1.0 1.8 6.0 196 196 A 970 PRO HBx A 969 CYS HA 1.0 1.8 6.0 197 197 A 968 THR HA A 969 CYS HA 1.0 1.8 6.0 198 198 A 1008 TRP HD1 A 1007 SER HA 1.0 1.8 6.0 199 199 A 1019 ARG HA A 1020 ARG HA 1.0 1.8 6.0 200 200 A 918 ILE HA A 919 ASP HBx 1.0 1.8 6.0 201 201 A 918 ILE HA A 919 ASP HBy 1.0 1.8 6.0 202 202 A 920 PRO HBy A 921 PHE HA 1.0 1.8 6.0 203 203 A 924 ASP HBy A 923 ALA HA 1.0 1.8 6.0 204 204 A 924 ASP HBx A 923 ALA HA 1.0 1.8 6.0 205 205 A 933 GLU HGx A 934 VAL HA 1.0 1.8 6.0 206 206 A 934 VAL HA A 935 TYR HBx 1.0 1.8 6.0 207 207 A 936 GLN HA A 935 TYR HA 1.0 1.8 6.0 208 208 A 940 ARG HA A 939 SER HBy 1.0 1.8 6.0 209 209 A 940 ARG HA A 939 SER HBx 1.0 1.8 6.0 210 210 A 941 TYR HBy A 942 PRO HBy 1.0 1.8 6.0 211 211 A 941 TYR HBx A 942 PRO HBy 1.0 1.8 6.0 212 212 A 946 TRP HD1 A 945 ASP HA 1.0 1.8 6.0 213 213 A 954 THR HA A 953 TYR HBy 1.0 1.8 6.0 214 214 A 958 GLY HAy A 957 ASN HA 1.0 1.8 6.0 215 215 A 968 THR HB A 969 CYS HBx 1.0 1.8 6.0 216 216 A 968 THR HB A 969 CYS HBy 1.0 1.8 6.0 217 217 A 976 GLU HA A 977 ASP HA 1.0 1.8 6.0 218 218 A 984 ILE HG1y A 985 ASN HA 1.0 1.8 6.0 219 219 A 984 ILE HB A 985 ASN HA 1.0 1.8 6.0 220 220 A 990 GLU HBx A 989 ASP HBx 1.0 1.8 6.0 221 221 A 998 THR HA A 997 ILE HG1y 1.0 1.8 6.0 222 222 A 1003 HIS HD2 A 1002 ASP HA 1.0 1.8 6.0 223 223 A 1001 PRO HBx A 1002 ASP HA 1.0 1.8 6.0 224 224 A 1004 LYS HA A 1003 HIS HD2 1.0 1.8 6.0 225 225 A 1005 PRO HBy A 1004 LYS HBy 1.0 1.8 6.0 226 226 A 1013 LYS HGx A 1012 GLU H 1.0 1.8 6.0 227 227 A 1013 LYS HGy A 1012 GLU H 1.0 1.8 6.0 228 228 A 1008 TRP HD1 A 1007 SER HBy 1.0 1.8 6.0 229 229 A 1008 TRP HD1 A 1007 SER HBx 1.0 1.8 6.0 230 230 A 1009 VAL HB A 1010 ALA HA 1.0 1.8 6.0 231 231 A 1012 GLU HBx A 1011 ALA HA 1.0 1.8 6.0 232 232 A 1013 LYS HA A 1014 MET HA 1.0 1.8 6.0 233 233 A 1026 LYS HA A 1027 ARG HDy 1.0 1.8 6.0 234 234 A 938 GLU HA A 937 ASN HA 1.0 1.8 6.0 235 235 A 938 GLU HA A 939 SER HA 1.0 1.8 6.0 236 236 A 1017 THR HB A 1018 HIS HA 1.0 1.8 6.0 237 237 A 999 ILE HA A 1000 PRO HDy 1.0 1.8 6.0 238 238 A 1004 LYS HGy A 1005 PRO HDx 1.0 1.8 6.0 239 239 A 1004 LYS HGx A 1005 PRO HDx 1.0 1.8 6.0 240 240 A 1004 LYS HGx A 1005 PRO HDy 1.0 1.8 6.0 241 241 A 1004 LYS HGy A 1005 PRO HDy 1.0 1.8 6.0 242 242 A 942 PRO HGy A 941 TYR HBy 1.0 1.8 6.0 243 243 A 942 PRO HGy A 941 TYR HBx 1.0 1.8 6.0 244 244 A 970 PRO HA A 971 PRO HGy 1.0 1.8 6.0 245 245 A 970 PRO HBx A 971 PRO HGx 1.0 1.8 6.0 246 246 A 970 PRO HBx A 971 PRO HGy 1.0 1.8 6.0 247 247 A 997 ILE HG1y A 998 THR HB 1.0 1.8 6.0 248 248 A 997 ILE HG1x A 998 THR HB 1.0 1.8 6.0 249 249 A 997 ILE HA A 998 THR HB 1.0 1.8 6.0 250 250 A 963 SER HA A 962 ALA HA 1.0 1.8 6.0 251 251 A 999 ILE HG1x A 1000 PRO HDy 1.0 1.8 6.0 252 252 A 931 THR HA A 932 ASP HA 1.0 1.8 6.0 253 253 A 970 PRO HA A 971 PRO HA 1.0 1.8 6.0 254 254 A 933 GLU H A 934 VAL H 1.0 1.8 5.0 255 255 A 933 GLU H A 932 ASP HA 1.0 1.8 3.0 256 256 A 933 GLU H A 932 ASP HBx 1.0 1.8 5.0 257 257 A 933 GLU H A 932 ASP HBy 1.0 1.8 5.0 258 258 A 930 PHE HBx A 931 THR H 1.0 1.8 5.0 259 259 A 967 LEU H A 966 GLU H 1.0 1.8 5.0 260 260 A 933 GLU HA A 934 VAL H 1.0 1.8 3.0 261 261 A 948 PRO HBx A 949 ALA H 1.0 1.8 5.0 262 262 A 948 PRO HA A 949 ALA H 1.0 1.8 5.0 263 263 A 953 TYR H A 952 THR HB 1.0 1.8 5.0 264 264 A 952 THR HA A 953 TYR H 1.0 1.8 5.0 265 265 A 953 TYR HA A 954 THR H 1.0 1.8 3.0 266 266 A 953 TYR HBy A 954 THR H 1.0 1.8 5.0 267 267 A 959 ASP H A 958 GLY H 1.0 1.8 5.0 268 268 A 957 ASN HA A 958 GLY H 1.0 1.8 5.0 269 269 A 960 LYS HA A 961 ALA H 1.0 1.8 3.5 270 270 A 963 SER H A 962 ALA HA 1.0 1.8 3.0 271 271 A 976 GLU HA A 977 ASP H 1.0 1.8 5.0 272 272 A 977 ASP H A 976 GLU H 1.0 1.8 5.0 273 273 A 982 TYR H A 981 SER HA 1.0 1.8 3.0 274 274 A 982 TYR H A 983 ASP H 1.0 1.8 5.0 275 275 A 988 VAL H A 987 ALA HA 1.0 1.8 3.0 276 276 A 987 ALA H A 988 VAL H 1.0 1.8 5.0 277 277 A 988 VAL HA A 989 ASP H 1.0 1.8 5.0 278 278 A 990 GLU H A 989 ASP HBx 1.0 1.8 5.0 279 279 A 991 LYS HA A 992 GLY H 1.0 1.8 5.0 280 280 A 993 TRP HA A 994 GLU H 1.0 1.8 3.0 281 281 A 1008 TRP H A 1007 SER H 1.0 1.8 5.0 282 282 A 1008 TRP H A 1007 SER HBx 1.0 1.8 5.0 283 283 A 1009 VAL HA A 1010 ALA H 1.0 1.8 5.0 284 284 A 1020 ARG HA A 1021 ARG H 1.0 1.8 4.0 285 285 A 1022 ARG HA A 1023 LEU H 1.0 1.8 5.0 286 286 A 1023 LEU HBx A 1024 VAL H 1.0 1.8 5.0 287 287 A 921 PHE H A 922 THR H 1.0 1.8 5.0 288 288 A 929 GLU HA A 930 PHE H 1.0 1.8 3.5 289 289 A 934 VAL H A 933 GLU HBx 1.0 1.8 5.0 290 290 A 936 GLN HA A 937 ASN H 1.0 1.8 3.0 291 291 A 946 TRP HA A 947 LYS H 1.0 1.8 3.5 292 292 A 946 TRP HBy A 947 LYS H 1.0 1.8 5.0 293 293 A 951 ASP H A 950 GLU H 1.0 1.8 5.0 294 294 A 951 ASP H A 950 GLU HBy 1.0 1.8 5.0 295 295 A 952 THR H A 951 ASP HA 1.0 1.8 3.0 296 296 A 955 ASP HBy A 956 ALA H 1.0 1.8 5.0 297 297 A 956 ALA H A 955 ASP HA 1.0 1.8 5.0 298 298 A 956 ALA H A 957 ASN H 1.0 1.8 5.0 299 299 A 957 ASN H A 956 ALA HA 1.0 1.8 5.0 300 300 A 958 GLY HAx A 959 ASP H 1.0 1.8 5.0 301 301 A 958 GLY HAy A 959 ASP H 1.0 1.8 5.0 302 302 A 964 PRO HDy A 963 SER H 1.0 1.8 5.0 303 303 A 965 SER H A 966 GLU H 1.0 1.8 5.0 304 304 A 967 LEU HA A 968 THR H 1.0 1.8 3.0 305 305 A 967 LEU HBx A 968 THR H 1.0 1.8 5.0 306 306 A 967 LEU H A 968 THR H 1.0 1.8 5.0 307 307 A 968 THR H A 969 CYS H 1.0 1.8 5.0 308 308 A 971 PRO HA A 972 GLY H 1.0 1.8 5.0 309 309 A 973 TRP H A 972 GLY H 1.0 1.8 5.0 310 310 A 973 TRP H A 974 GLU H 1.0 1.8 5.0 311 311 A 973 TRP HBx A 974 GLU H 1.0 1.8 5.0 312 312 A 979 ALA H A 978 ASP H 1.0 1.8 5.0 313 313 A 979 ALA H A 978 ASP HBx 1.0 1.8 5.0 314 314 A 983 ASP H A 984 ILE H 1.0 1.8 5.0 315 315 A 985 ASN HBx A 986 ARG H 1.0 1.8 5.0 316 316 A 985 ASN HBy A 986 ARG H 1.0 1.8 5.0 317 317 A 986 ARG H A 985 ASN HA 1.0 1.8 5.0 318 318 A 985 ASN H A 986 ARG H 1.0 1.8 5.0 319 319 A 986 ARG HBy A 987 ALA H 1.0 1.8 3.0 320 320 A 986 ARG HBx A 987 ALA H 1.0 1.8 5.0 321 321 A 988 VAL H A 989 ASP H 1.0 1.8 5.0 322 322 A 989 ASP H A 988 VAL HB 1.0 1.8 5.0 323 323 A 990 GLU HA A 991 LYS H 1.0 1.8 5.0 324 324 A 990 GLU H A 991 LYS H 1.0 1.8 5.0 325 325 A 992 GLY HAy A 993 TRP H 1.0 1.8 5.0 326 326 A 993 TRP HBx A 994 GLU H 1.0 1.8 5.0 327 327 A 994 GLU HA A 995 TYR H 1.0 1.8 3.5 328 328 A 995 TYR HA A 996 GLY H 1.0 1.8 5.0 329 329 A 996 GLY HAx A 997 ILE H 1.0 1.8 5.0 330 330 A 997 ILE H A 996 GLY H 1.0 1.8 5.0 331 331 A 997 ILE HA A 998 THR H 1.0 1.8 5.0 332 332 A 1001 PRO HGy A 1002 ASP H 1.0 1.8 5.0 333 333 A 1005 PRO HGy A 1006 LYS H 1.0 1.8 5.0 334 334 A 1005 PRO HBy A 1006 LYS H 1.0 1.8 5.0 335 335 A 1006 LYS H A 1007 SER H 1.0 1.8 5.0 336 336 A 1006 LYS HGx A 1007 SER H 1.0 1.8 5.0 337 337 A 1006 LYS HBx A 1007 SER H 1.0 1.8 5.0 338 338 A 1008 TRP H A 1007 SER HA 1.0 1.8 3.5 339 339 A 1008 TRP HBx A 1009 VAL H 1.0 1.8 5.0 340 340 A 1008 TRP HA A 1009 VAL H 1.0 1.8 4.0 341 341 A 1011 ALA H A 1010 ALA H 1.0 1.8 5.0 342 342 A 1012 GLU HBx A 1013 LYS H 1.0 1.8 5.0 343 343 A 1015 TYR H A 1014 MET HBy 1.0 1.8 5.0 344 344 A 1014 MET HA A 1015 TYR H 1.0 1.8 5.0 345 345 A 1016 HIS H A 1015 TYR H 1.0 1.8 5.0 346 346 A 1015 TYR H A 1014 MET H 1.0 1.8 5.0 347 347 A 1015 TYR HBy A 1016 HIS H 1.0 1.8 5.0 348 348 A 1018 HIS H A 1017 THR HA 1.0 1.8 5.0 349 349 A 1025 ARG HA A 1026 LYS H 1.0 1.8 3.0 350 350 A 1029 LYS H A 1028 LYS HBy 1.0 1.8 5.0 351 351 A 1029 LYS HGx A 1030 ASP H 1.0 1.8 5.0 352 352 A 1029 LYS HGy A 1030 ASP H 1.0 1.8 5.0 353 353 A 1029 LYS HBy A 1030 ASP H 1.0 1.8 5.0 354 354 A 1024 VAL HA A 1025 ARG H 1.0 1.8 5.0 355 355 A 965 SER HBy A 966 GLU H 1.0 1.8 5.0 356 356 A 938 GLU H A 937 ASN HA 1.0 1.8 3.0 357 357 A 937 ASN HBy A 938 GLU H 1.0 1.8 5.0 358 358 A 938 GLU HA A 939 SER H 1.0 1.8 3.0 359 359 A 940 ARG H A 939 SER HA 1.0 1.8 3.5 360 360 A 943 GLY HAx A 944 GLY H 1.0 1.8 5.0 361 361 A 982 TYR HA A 983 ASP H 1.0 1.8 5.0 362 362 A 1022 ARG H A 1021 ARG HA 1.0 1.8 3.0 363 363 A 979 ALA H A 978 ASP HA 1.0 1.8 5.0 364 364 A 980 TRP HA A 981 SER H 1.0 1.8 5.0 365 365 A 980 TRP HBx A 981 SER H 1.0 1.8 5.0 366 366 A 984 ILE H A 983 ASP HA 1.0 1.8 3.5 367 367 A 990 GLU H A 989 ASP HBy 1.0 1.8 5.0 368 368 A 993 TRP H A 992 GLY H 1.0 1.8 5.0 369 369 A 996 GLY H A 995 TYR H 1.0 1.8 5.0 370 370 A 996 GLY HAy A 997 ILE H 1.0 1.8 5.0 371 371 A 997 ILE HB A 998 THR H 1.0 1.8 5.0 372 372 A 997 ILE HG1x A 998 THR H 1.0 1.8 5.0 373 373 A 1006 LYS HBy A 1007 SER H 1.0 1.8 5.0 374 374 A 1008 TRP H A 1009 VAL H 1.0 1.8 5.0 375 375 A 1008 TRP HBy A 1009 VAL H 1.0 1.8 5.0 376 376 A 1011 ALA H A 1012 GLU H 1.0 1.8 5.0 377 377 A 1011 ALA H A 1010 ALA HA 1.0 1.8 5.0 378 378 A 1010 ALA H A 1009 VAL HB 1.0 1.8 5.0 379 379 A 1012 GLU H A 1011 ALA HA 1.0 1.8 3.0 380 380 A 1012 GLU HGy A 1013 LYS H 1.0 1.8 5.0 381 381 A 1012 GLU HGx A 1013 LYS H 1.0 1.8 5.0 382 382 A 1015 TYR H A 1014 MET HBx 1.0 1.8 5.0 383 383 A 1013 LYS HBy A 1014 MET H 1.0 1.8 5.0 384 384 A 1014 MET HGy A 1015 TYR H 1.0 1.8 5.0 385 385 A 972 GLY HAx A 973 TRP H 1.0 1.8 5.0 386 386 A 972 GLY HAy A 973 TRP H 1.0 1.8 5.0 387 387 A 950 GLU H A 949 ALA HA 1.0 1.8 5.0 388 388 A 950 GLU HA A 951 ASP H 1.0 1.8 5.0 389 389 A 951 ASP H A 950 GLU HBx 1.0 1.8 5.0 390 390 A 953 TYR H A 952 THR H 1.0 1.8 5.0 391 391 A 952 THR H A 951 ASP HBx 1.0 1.8 5.0 392 392 A 951 ASP HBy A 952 THR H 1.0 1.8 5.0 393 393 A 953 TYR H A 954 THR H 1.0 1.8 5.0 394 394 A 954 THR HA A 955 ASP H 1.0 1.8 5.0 395 395 A 955 ASP H A 954 THR HB 1.0 1.8 5.0 396 396 A 955 ASP HBx A 956 ALA H 1.0 1.8 5.0 397 397 A 955 ASP H A 956 ALA H 1.0 1.8 5.0 398 398 A 961 ALA H A 962 ALA H 1.0 1.8 5.0 399 399 A 921 PHE HA A 922 THR H 1.0 1.8 5.0 400 400 A 921 PHE HBx A 922 THR H 1.0 1.8 5.0 401 401 A 923 ALA H A 922 THR H 1.0 1.8 5.0 402 402 A 926 GLY H A 925 ALA HA 1.0 1.8 5.0 403 403 A 931 THR H A 930 PHE H 1.0 1.8 5.0 404 404 A 934 VAL H A 935 TYR H 1.0 1.8 5.0 405 405 A 934 VAL HA A 935 TYR H 1.0 1.8 3.0 406 406 A 934 VAL HB A 935 TYR H 1.0 1.8 5.0 407 407 A 935 TYR HA A 936 GLN H 1.0 1.8 3.0 408 408 A 939 SER HBx A 940 ARG H 1.0 1.8 5.0 409 409 A 939 SER HBy A 940 ARG H 1.0 1.8 5.0 410 410 A 942 PRO HBx A 943 GLY H 1.0 1.8 5.0 411 411 A 942 PRO HBy A 943 GLY H 1.0 1.8 5.0 412 412 A 945 ASP H A 944 GLY H 1.0 1.8 5.0 413 413 A 974 GLU H A 975 TRP H 1.0 1.8 5.0 414 414 A 982 TYR H A 981 SER H 1.0 1.8 5.0 415 415 A 994 GLU H A 995 TYR H 1.0 1.8 5.0 416 416 A 1010 ALA H A 1009 VAL H 1.0 1.8 5.0 417 417 A 1012 GLU H A 1013 LYS H 1.0 1.8 5.0 418 418 A 1018 HIS H A 1017 THR H 1.0 1.8 3.5 419 419 A 940 ARG HA A 941 TYR H 1.0 1.8 3.0 420 420 A 920 PRO HDx A 921 PHE H 1.0 1.8 5.0 421 421 A 925 ALA H A 924 ASP HA 1.0 1.8 5.0 422 422 A 931 THR HA A 932 ASP H 1.0 1.8 3.0 423 423 A 937 ASN HBx A 938 GLU H 1.0 1.8 5.0 424 424 A 941 TYR H A 940 ARG H 1.0 1.8 5.0 425 425 A 942 PRO HA A 943 GLY H 1.0 1.8 5.0 426 426 A 946 TRP H A 947 LYS H 1.0 1.8 5.0 427 427 A 946 TRP HBx A 947 LYS H 1.0 1.8 5.0 428 428 A 949 ALA H A 950 GLU H 1.0 1.8 5.0 429 429 A 977 ASP HBx A 978 ASP H 1.0 1.8 5.0 430 430 A 977 ASP HBy A 978 ASP H 1.0 1.8 5.0 431 431 A 979 ALA H A 980 TRP H 1.0 1.8 5.0 432 432 A 929 GLU H A 930 PHE H 1.0 1.8 5.0 433 433 A 961 ALA H A 960 LYS H 1.0 1.8 5.0 434 434 A 967 LEU H A 966 GLU HBx 1.0 1.8 5.0 435 435 A 967 LEU H A 966 GLU HBy 1.0 1.8 5.0 436 436 A 967 LEU HG A 968 THR H 1.0 1.8 5.0 437 437 A 973 TRP HE3 A 974 GLU H 1.0 1.8 5.0 438 438 A 974 GLU HA A 975 TRP H 1.0 1.8 3.0 439 439 A 975 TRP HBx A 976 GLU H 1.0 1.8 5.0 440 440 A 975 TRP HBy A 976 GLU H 1.0 1.8 5.0 441 441 A 976 GLU HGy A 977 ASP H 1.0 1.8 5.0 442 442 A 977 ASP H A 976 GLU HBx 1.0 1.8 5.0 443 443 A 980 TRP H A 981 SER H 1.0 1.8 5.0 444 444 A 983 ASP HBy A 984 ILE H 1.0 1.8 5.0 445 445 A 990 GLU H A 989 ASP H 1.0 1.8 5.0 446 446 A 990 GLU H A 989 ASP HA 1.0 1.8 5.0 447 447 A 990 GLU H A 991 LYS HBx 1.0 1.8 5.0 448 448 A 998 THR H A 997 ILE H 1.0 1.8 5.0 449 449 A 998 THR H A 999 ILE H 1.0 1.8 5.0 450 450 A 1013 LYS HA A 1014 MET H 1.0 1.8 5.0 451 451 A 1016 HIS H A 1017 THR H 1.0 1.8 5.0 452 452 A 1016 HIS HD2 A 1017 THR H 1.0 1.8 5.0 453 453 A 1018 HIS HD2 A 1019 ARG H 1.0 1.8 5.0 454 454 A 1018 HIS HBy A 1019 ARG H 1.0 1.8 5.0 455 455 A 1018 HIS HBx A 1019 ARG H 1.0 1.8 5.0 456 456 A 1023 LEU H A 1022 ARG H 1.0 1.8 5.0 457 457 A 1024 VAL H A 1025 ARG H 1.0 1.8 5.0 458 458 A 1026 LYS H A 1025 ARG H 1.0 1.8 5.0 459 459 A 1023 LEU HBy A 1024 VAL H 1.0 1.8 5.0 460 460 A 1024 VAL HB A 1025 ARG H 1.0 1.8 5.0 461 461 A 1028 LYS H A 1027 ARG H 1.0 1.8 5.0 462 462 A 1026 LYS HA A 1027 ARG H 1.0 1.8 3.5 463 463 A 1029 LYS H A 1030 ASP H 1.0 1.8 5.0 464 464 A 1028 LYS H A 1029 LYS H 1.0 1.8 5.0 465 465 A 1032 THR H A 1031 LEU H 1.0 1.8 5.0 466 466 A 1032 THR H A 1033 GLN H 1.0 1.8 5.0 467 467 A 1031 LEU HBy A 1032 THR H 1.0 1.8 5.0 468 468 A 929 GLU H A 928 THR H 1.0 1.8 5.0 469 469 A 920 PRO HA A 921 PHE H 1.0 1.8 5.0 470 470 A 920 PRO HGy A 921 PHE H 1.0 1.8 5.0 471 471 A 920 PRO HBy A 921 PHE H 1.0 1.8 5.0 472 472 A 923 ALA H A 922 THR HB 1.0 1.8 5.0 473 473 A 924 ASP H A 923 ALA HA 1.0 1.8 5.0 474 474 A 924 ASP HBx A 925 ALA H 1.0 1.8 5.0 475 475 A 924 ASP HBy A 925 ALA H 1.0 1.8 5.0 476 476 A 931 THR H A 932 ASP H 1.0 1.8 5.0 477 477 A 933 GLU HBy A 932 ASP H 1.0 1.8 5.0 478 478 A 931 THR HB A 932 ASP H 1.0 1.8 5.0 479 479 A 933 GLU HGy A 934 VAL H 1.0 1.8 5.0 480 480 A 935 TYR HBx A 936 GLN H 1.0 1.8 5.0 481 481 A 937 ASN H A 936 GLN HBy 1.0 1.8 5.0 482 482 A 939 SER H A 938 GLU HBx 1.0 1.8 5.0 483 483 A 939 SER H A 938 GLU H 1.0 1.8 5.0 484 484 A 939 SER H A 938 GLU HBy 1.0 1.8 5.0 485 485 A 940 ARG HGx A 941 TYR H 1.0 1.8 5.0 486 486 A 940 ARG HGy A 941 TYR H 1.0 1.8 5.0 487 487 A 940 ARG HBy A 941 TYR H 1.0 1.8 5.0 488 488 A 944 GLY HAx A 945 ASP H 1.0 1.8 5.0 489 489 A 944 GLY HAy A 945 ASP H 1.0 1.8 5.0 490 490 A 962 ALA H A 961 ALA HA 1.0 1.8 5.0 491 491 A 946 TRP HE3 A 947 LYS H 1.0 1.8 5.0 492 492 A 948 PRO HDx A 947 LYS H 1.0 1.8 5.0 493 493 A 948 PRO HDy A 947 LYS H 1.0 1.8 5.0 494 494 A 955 ASP H A 954 THR H 1.0 1.8 5.0 495 495 A 959 ASP HBy A 960 LYS H 1.0 1.8 5.0 496 496 A 959 ASP HBx A 960 LYS H 1.0 1.8 5.0 497 497 A 961 ALA H A 960 LYS HBy 1.0 1.8 5.0 498 498 A 964 PRO HA A 965 SER H 1.0 1.8 5.0 499 499 A 964 PRO HDy A 965 SER H 1.0 1.8 5.0 500 500 A 964 PRO HDx A 965 SER H 1.0 1.8 5.0 501 501 A 964 PRO HBx A 965 SER H 1.0 1.8 5.0 502 502 A 964 PRO HBy A 965 SER H 1.0 1.8 5.0 503 503 A 973 TRP HBy A 974 GLU H 1.0 1.8 5.0 504 504 A 973 TRP HA A 974 GLU H 1.0 1.8 5.0 505 505 A 975 TRP HE3 A 976 GLU H 1.0 1.8 5.0 506 506 A 975 TRP HA A 976 GLU H 1.0 1.8 5.0 507 507 A 992 GLY H A 991 LYS HBx 1.0 1.8 5.0 508 508 A 993 TRP HBx A 992 GLY H 1.0 1.8 5.0 509 509 A 993 TRP HD1 A 992 GLY H 1.0 1.8 5.0 510 510 A 993 TRP H A 994 GLU H 1.0 1.8 5.0 511 511 A 993 TRP HE3 A 994 GLU H 1.0 1.8 5.0 512 512 A 1001 PRO HBy A 1002 ASP H 1.0 1.8 5.0 513 513 A 1001 PRO HGx A 1002 ASP H 1.0 1.8 5.0 514 514 A 1004 LYS H A 1003 HIS H 1.0 1.8 5.0 515 515 A 1003 HIS HA A 1004 LYS H 1.0 1.8 5.0 516 516 A 1003 HIS HBy A 1004 LYS H 1.0 1.8 5.0 517 517 A 1005 PRO HA A 1006 LYS H 1.0 1.8 5.0 518 518 A 1008 TRP HD1 A 1007 SER H 1.0 1.8 5.0 519 519 A 1008 TRP HE1 A 1007 SER HA 1.0 1.8 5.0 520 520 A 1008 TRP HE3 A 1009 VAL H 1.0 1.8 5.0 521 521 A 1012 GLU HBy A 1013 LYS H 1.0 1.8 5.0 522 522 A 1013 LYS HBx A 1014 MET H 1.0 1.8 5.0 523 523 A 1015 TYR HBx A 1016 HIS H 1.0 1.8 5.0 524 524 A 1016 HIS HA A 1017 THR H 1.0 1.8 4.0 525 525 A 1016 HIS HBx A 1017 THR H 1.0 1.8 5.0 526 526 A 1019 ARG HBx A 1020 ARG H 1.0 1.8 5.0 527 527 A 1019 ARG HBy A 1020 ARG H 1.0 1.8 5.0 528 528 A 1019 ARG HDx A 1020 ARG H 1.0 1.8 5.0 529 529 A 1021 ARG H A 1020 ARG HBx 1.0 1.8 5.0 530 530 A 1021 ARG H A 1020 ARG HBy 1.0 1.8 5.0 531 531 A 1022 ARG HBx A 1023 LEU H 1.0 1.8 5.0 532 532 A 1022 ARG HGy A 1023 LEU H 1.0 1.8 5.0 533 533 A 1022 ARG HGx A 1023 LEU H 1.0 1.8 5.0 534 534 A 1023 LEU HA A 1024 VAL H 1.0 1.8 3.0 535 535 A 1025 ARG HBx A 1026 LYS H 1.0 1.8 5.0 536 536 A 1026 LYS HGx A 1027 ARG H 1.0 1.8 5.0 537 537 A 1026 LYS HDy A 1027 ARG H 1.0 1.8 5.0 538 538 A 1029 LYS HBx A 1030 ASP H 1.0 1.8 5.0 539 539 A 1031 LEU H A 1030 ASP HA 1.0 1.8 3.0 540 540 A 1032 THR HA A 1033 GLN H 1.0 1.8 5.0 541 541 A 1033 GLN HBy A 1034 THR H 1.0 1.8 5.0 542 542 A 1040 ARG H A 1039 ALA HA 1.0 1.8 5.0 543 543 A 1020 ARG HA A 1021 ARG HE 1.0 1.8 5.0 544 544 A 928 THR HA A 929 GLU H 1.0 1.8 3.5 545 545 A 960 LYS HGy A 961 ALA H 1.0 1.8 5.0 546 546 A 960 LYS HGx A 961 ALA H 1.0 1.8 5.0 547 547 A 973 TRP HD1 A 972 GLY H 1.0 1.8 5.0 548 548 A 973 TRP HBx A 972 GLY H 1.0 1.8 5.0 549 549 A 1034 THR HB A 1035 ALA H 1.0 1.8 5.0 550 550 A 975 TRP H A 976 GLU H 1.0 1.8 5.0 551 551 A 918 ILE HA A 919 ASP H 1.0 1.8 5.0 552 552 A 975 TRP H A 974 GLU HBx 1.0 1.8 5.0 553 553 A 946 TRP H A 945 ASP HBy 1.0 1.8 5.0 554 554 A 980 TRP HE1 A 979 ALA HA 1.0 1.8 5.0 555 555 A 975 TRP H A 974 GLU HBy 1.0 1.8 5.0 556 556 A 1005 PRO HDx A 1004 LYS H 1.0 1.8 5.0 557 557 A 984 ILE HB A 985 ASN H 1.0 1.8 5.0 558 558 A 994 GLU HBx A 995 TYR H 1.0 1.8 5.0 559 559 A 994 GLU HBy A 995 TYR H 1.0 1.8 3.5 560 560 A 998 THR HA A 999 ILE H 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_9 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_9 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 964 PRO HA A 967 LEU HA 1.0 1.8 6.0 2 2 A 954 THR HA A 958 GLY HAx 1.0 1.8 6.0 3 3 A 958 GLY HAx A 954 THR HB 1.0 1.8 6.0 4 4 A 954 THR HA A 958 GLY HAy 1.0 1.8 6.0 5 5 A 970 PRO HBy A 973 TRP HBy 1.0 1.8 6.0 6 6 A 964 PRO HA A 967 LEU HBx 1.0 1.8 6.0 7 7 A 964 PRO HA A 967 LEU HBy 1.0 1.8 6.0 8 8 A 964 PRO HA A 967 LEU HG 1.0 1.8 6.0 9 9 A 929 GLU HGx A 927 HIS HD2 1.0 1.8 6.0 10 10 A 929 GLU HGy A 927 HIS HD2 1.0 1.8 6.0 11 11 A 927 HIS HD2 A 924 ASP HA 1.0 1.8 6.0 12 12 A 960 LYS HDx A 962 ALA HA 1.0 1.8 6.0 13 13 A 963 SER HBx A 966 GLU HA 1.0 1.8 6.0 14 14 A 966 GLU HBx A 963 SER HBx 1.0 1.8 6.0 15 15 A 973 TRP HBx A 969 CYS HA 1.0 1.8 6.0 16 16 A 973 TRP HBx A 969 CYS HBy 1.0 1.8 6.0 17 17 A 973 TRP HBx A 969 CYS HBx 1.0 1.8 6.0 18 18 A 974 GLU HA A 969 CYS HBy 1.0 1.8 6.0 19 19 A 974 GLU HA A 969 CYS HBx 1.0 1.8 6.0 20 20 A 970 PRO HBx A 973 TRP HBx 1.0 1.8 6.0 21 21 A 970 PRO HBy A 973 TRP HBx 1.0 1.8 6.0 22 22 A 970 PRO HA A 973 TRP HD1 1.0 1.8 6.0 23 23 A 970 PRO HBx A 973 TRP HD1 1.0 1.8 6.0 24 24 A 970 PRO HBy A 973 TRP HD1 1.0 1.8 6.0 25 25 A 970 PRO HDy A 973 TRP HA 1.0 1.8 6.0 26 26 A 970 PRO HDy A 973 TRP HBx 1.0 1.8 6.0 27 27 A 970 PRO HGy A 973 TRP HBx 1.0 1.8 6.0 28 28 A 970 PRO HGx A 973 TRP HBx 1.0 1.8 6.0 29 29 A 977 ASP HBx A 975 TRP HZ3 1.0 1.8 6.0 30 30 A 984 ILE HA A 988 VAL HB 1.0 1.8 6.0 31 31 A 991 LYS HA A 993 TRP HD1 1.0 1.8 6.0 32 32 A 993 TRP HD1 A 991 LYS HBy 1.0 1.8 6.0 33 33 A 993 TRP HD1 A 991 LYS HBx 1.0 1.8 6.0 34 34 A 991 LYS HGx A 993 TRP HD1 1.0 1.8 6.0 35 35 A 991 LYS HGy A 993 TRP HD1 1.0 1.8 6.0 36 36 A 1006 LYS HA A 1004 LYS HBy 1.0 1.8 6.0 37 37 A 1005 PRO HBy A 1008 TRP HZ2 1.0 1.8 6.0 38 38 A 1005 PRO HBx A 1008 TRP HZ2 1.0 1.8 6.0 39 39 A 1005 PRO HDx A 1008 TRP HZ2 1.0 1.8 6.0 40 40 A 1005 PRO HDy A 1008 TRP HZ2 1.0 1.8 6.0 41 41 A 1005 PRO HGy A 1008 TRP HZ2 1.0 1.8 6.0 42 42 A 1012 GLU HA A 1016 HIS HE1 1.0 1.8 6.0 43 43 A 1012 GLU HGx A 1016 HIS HBy 1.0 1.8 6.0 44 44 A 1031 LEU HBy A 1029 LYS HBy 1.0 1.8 6.0 45 45 A 1030 ASP HBx A 1033 GLN HBx 1.0 1.8 6.0 46 46 A 973 TRP HA A 969 CYS HBx 1.0 1.8 6.0 47 47 A 973 TRP HBy A 969 CYS HA 1.0 1.8 6.0 48 48 A 970 PRO HGy A 973 TRP HBy 1.0 1.8 6.0 49 49 A 970 PRO HGy A 973 TRP HA 1.0 1.8 6.0 50 50 A 944 GLY HAx A 940 ARG HDy 1.0 1.8 6.0 51 51 A 1029 LYS HBy A 1031 LEU HG 1.0 1.8 6.0 52 52 A 970 PRO HDx A 973 TRP HBx 1.0 1.8 6.0 53 53 A 964 PRO HBy A 967 LEU HBx 1.0 1.8 6.0 54 54 A 964 PRO HBy A 967 LEU HBy 1.0 1.8 6.0 55 55 A 973 TRP HD1 A 969 CYS HBx 1.0 1.8 6.0 56 56 A 970 PRO HDx A 973 TRP HD1 1.0 1.8 6.0 57 57 A 970 PRO HDy A 973 TRP HD1 1.0 1.8 6.0 58 58 A 927 HIS HD2 A 925 ALA HA 1.0 1.8 6.0 59 59 A 927 HIS HBy A 924 ASP HA 1.0 1.8 6.0 60 60 A 927 HIS HBx A 924 ASP HA 1.0 1.8 6.0 61 61 A 944 GLY HAy A 941 TYR HBy 1.0 1.8 6.0 62 62 A 944 GLY HAy A 941 TYR HBx 1.0 1.8 6.0 63 63 A 944 GLY HAx A 941 TYR HBy 1.0 1.8 6.0 64 64 A 944 GLY HAx A 941 TYR HBx 1.0 1.8 6.0 65 65 A 954 THR HA A 951 ASP HBy 1.0 1.8 6.0 66 66 A 964 PRO HBx A 967 LEU HBy 1.0 1.8 6.0 67 67 A 964 PRO HBx A 967 LEU HBx 1.0 1.8 6.0 68 68 A 988 VAL HA A 992 GLY HAy 1.0 1.8 6.0 69 69 A 988 VAL HA A 992 GLY HAx 1.0 1.8 6.0 70 70 A 992 GLY HAy A 988 VAL HB 1.0 1.8 6.0 71 71 A 992 GLY HAx A 988 VAL HB 1.0 1.8 6.0 72 72 A 970 PRO HGy A 973 TRP HD1 1.0 1.8 6.0 73 73 A 970 PRO HGx A 973 TRP HD1 1.0 1.8 6.0 74 74 A 1004 LYS HA A 1008 TRP HZ2 1.0 1.8 6.0 75 75 A 1013 LYS HGx A 1016 HIS HE1 1.0 1.8 6.0 76 76 A 1013 LYS HGy A 1016 HIS HE1 1.0 1.8 6.0 77 77 A 1005 PRO HGy A 1008 TRP HH2 1.0 1.8 6.0 78 78 A 1005 PRO HGx A 1008 TRP HH2 1.0 1.8 6.0 79 79 A 1031 LEU HA A 1029 LYS HGy 1.0 1.8 6.0 80 80 A 1031 LEU HA A 1029 LYS HGx 1.0 1.8 6.0 81 81 A 1013 LYS HA A 1016 HIS HE1 1.0 1.8 6.0 82 82 A 1013 LYS HBx A 1016 HIS HE1 1.0 1.8 6.0 83 83 A 1013 LYS HBy A 1016 HIS HE1 1.0 1.8 6.0 84 84 A 1013 LYS HDx A 1016 HIS HE1 1.0 1.8 6.0 85 85 A 1013 LYS HDy A 1016 HIS HE1 1.0 1.8 6.0 86 86 A 1012 GLU HGy A 1016 HIS HBy 1.0 1.8 6.0 87 87 A 966 GLU HBx A 962 ALA HA 1.0 1.8 6.0 88 88 A 962 ALA HA A 966 GLU HBy 1.0 1.8 6.0 89 89 A 1026 LYS HDx A 1028 LYS H 1.0 1.8 5.0 90 90 A 955 ASP HBy A 957 ASN H 1.0 1.8 5.0 91 91 A 957 ASN H A 955 ASP HA 1.0 1.8 5.0 92 92 A 986 ARG H A 988 VAL H 1.0 1.8 5.0 93 93 A 991 LYS H A 989 ASP HBx 1.0 1.8 5.0 94 94 A 993 TRP H A 989 ASP H 1.0 1.8 5.0 95 95 A 1005 PRO HBy A 1007 SER H 1.0 1.8 5.0 96 96 A 1013 LYS HBx A 1015 TYR H 1.0 1.8 5.0 97 97 A 1013 LYS HBy A 1015 TYR H 1.0 1.8 5.0 98 98 A 1013 LYS HGx A 1015 TYR H 1.0 1.8 5.0 99 99 A 1014 MET HA A 1016 HIS H 1.0 1.8 5.0 100 100 A 1016 HIS HBx A 1018 HIS H 1.0 1.8 5.0 101 101 A 953 TYR H A 951 ASP HA 1.0 1.8 5.0 102 102 A 977 ASP HBy A 979 ALA H 1.0 1.8 5.0 103 103 A 977 ASP HBx A 979 ALA H 1.0 1.8 5.0 104 104 A 1005 PRO HA A 1007 SER H 1.0 1.8 5.0 105 105 A 1011 ALA H A 1009 VAL HB 1.0 1.8 5.0 106 106 A 971 PRO HA A 973 TRP H 1.0 1.8 5.0 107 107 A 959 ASP H A 955 ASP H 1.0 1.8 5.0 108 108 A 955 ASP H A 958 GLY H 1.0 1.8 5.0 109 109 A 958 GLY HAx A 955 ASP H 1.0 1.8 5.0 110 110 A 956 ALA HA A 958 GLY H 1.0 1.8 5.0 111 111 A 954 THR HA A 958 GLY H 1.0 1.8 5.0 112 112 A 954 THR HA A 959 ASP H 1.0 1.8 5.0 113 113 A 960 LYS HA A 955 ASP H 1.0 1.8 5.0 114 114 A 1011 ALA H A 1009 VAL H 1.0 1.8 5.0 115 115 A 989 ASP H A 992 GLY H 1.0 1.8 5.0 116 116 A 958 GLY HAy A 960 LYS H 1.0 1.8 5.0 117 117 A 964 PRO HA A 967 LEU H 1.0 1.8 5.0 118 118 A 975 TRP HBx A 977 ASP H 1.0 1.8 5.0 119 119 A 975 TRP HBy A 977 ASP H 1.0 1.8 5.0 120 120 A 990 GLU H A 992 GLY H 1.0 1.8 5.0 121 121 A 1031 LEU HBy A 1033 GLN H 1.0 1.8 5.0 122 122 A 941 TYR H A 944 GLY H 1.0 1.8 5.0 123 123 A 942 PRO HA A 944 GLY H 1.0 1.8 5.0 124 124 A 940 ARG HDx A 944 GLY H 1.0 1.8 5.0 125 125 A 940 ARG HDy A 944 GLY H 1.0 1.8 5.0 126 126 A 940 ARG HGx A 944 GLY H 1.0 1.8 5.0 127 127 A 940 ARG HBy A 944 GLY H 1.0 1.8 5.0 128 128 A 940 ARG HBx A 944 GLY H 1.0 1.8 5.0 129 129 A 941 TYR H A 945 ASP H 1.0 1.8 5.0 130 130 A 952 THR HA A 950 GLU H 1.0 1.8 5.0 131 131 A 953 TYR H A 951 ASP HBy 1.0 1.8 5.0 132 132 A 959 ASP HBx A 955 ASP H 1.0 1.8 5.0 133 133 A 956 ALA H A 958 GLY H 1.0 1.8 5.0 134 134 A 967 LEU H A 963 SER H 1.0 1.8 5.0 135 135 A 963 SER H A 966 GLU HBx 1.0 1.8 5.0 136 136 A 965 SER H A 963 SER HA 1.0 1.8 5.0 137 137 A 967 LEU H A 965 SER H 1.0 1.8 5.0 138 138 A 967 LEU H A 963 SER HBx 1.0 1.8 5.0 139 139 A 970 PRO HBx A 973 TRP H 1.0 1.8 5.0 140 140 A 970 PRO HGy A 973 TRP H 1.0 1.8 5.0 141 141 A 975 TRP HE3 A 977 ASP H 1.0 1.8 5.0 142 142 A 984 ILE HA A 986 ARG H 1.0 1.8 5.0 143 143 A 986 ARG HA A 988 VAL H 1.0 1.8 5.0 144 144 A 984 ILE HA A 988 VAL H 1.0 1.8 5.0 145 145 A 990 GLU HA A 992 GLY H 1.0 1.8 5.0 146 146 A 1000 PRO HBy A 1002 ASP H 1.0 1.8 5.0 147 147 A 1005 PRO HBy A 1008 TRP HE1 1.0 1.8 5.0 148 148 A 1011 ALA H A 1016 HIS HE1 1.0 1.8 5.0 149 149 A 1012 GLU H A 1016 HIS HE1 1.0 1.8 5.0 150 150 A 1013 LYS H A 1016 HIS HE1 1.0 1.8 5.0 151 151 A 1016 HIS HBy A 1013 LYS H 1.0 1.8 5.0 152 152 A 1016 HIS H A 1014 MET HBy 1.0 1.8 5.0 153 153 A 1016 HIS H A 1014 MET HBx 1.0 1.8 5.0 154 154 A 1013 LYS HBy A 1016 HIS H 1.0 1.8 5.0 155 155 A 1013 LYS HBx A 1016 HIS H 1.0 1.8 5.0 156 156 A 1032 THR H A 1030 ASP HA 1.0 1.8 5.0 157 157 A 1030 ASP HBx A 1032 THR H 1.0 1.8 5.0 158 158 A 927 HIS HBy A 929 GLU H 1.0 1.8 5.0 159 159 A 951 ASP H A 949 ALA HA 1.0 1.8 5.0 160 160 A 967 LEU HG A 963 SER H 1.0 1.8 5.0 161 161 A 967 LEU H A 965 SER HA 1.0 1.8 5.0 162 162 A 1000 PRO HBx A 1002 ASP H 1.0 1.8 5.0 163 163 A 1016 HIS H A 1013 LYS H 1.0 1.8 5.0 164 164 A 986 ARG HBy A 988 VAL H 1.0 1.8 5.0 165 165 A 993 TRP H A 991 LYS HBx 1.0 1.8 5.0 166 166 A 991 LYS HGy A 993 TRP HE1 1.0 1.8 5.0 167 167 A 991 LYS HGx A 993 TRP HE1 1.0 1.8 5.0 168 168 A 993 TRP HE1 A 991 LYS HBy 1.0 1.8 5.0 169 169 A 959 ASP H A 954 THR HB 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_11 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_11 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 930 PHE N A 1027 ARG O 1.0 3.0 3.6 2 2 A 930 PHE H A 1027 ARG O 1.0 2.0 2.6 3 3 A 1027 ARG N A 930 PHE O 1.0 3.0 3.6 4 4 A 1027 ARG H A 930 PHE O 1.0 2.0 2.6 5 5 A 932 ASP N A 1025 ARG O 1.0 3.0 3.6 6 6 A 932 ASP H A 1025 ARG O 1.0 2.0 2.6 7 7 A 1025 ARG N A 932 ASP O 1.0 3.0 3.6 8 8 A 1025 ARG H A 932 ASP O 1.0 2.0 2.6 9 9 A 934 VAL N A 1023 LEU O 1.0 3.0 3.6 10 10 A 934 VAL H A 1023 LEU O 1.0 2.0 2.6 11 11 A 1023 LEU N A 934 VAL O 1.0 3.0 3.6 12 12 A 1023 LEU H A 934 VAL O 1.0 2.0 2.6 13 13 A 935 TYR N A 954 THR O 1.0 3.0 3.6 14 14 A 935 TYR H A 954 THR O 1.0 2.0 2.6 15 15 A 954 THR N A 935 TYR O 1.0 3.0 3.6 16 16 A 954 THR H A 935 TYR O 1.0 2.0 2.6 17 17 A 936 GLN N A 1021 ARG O 1.0 3.0 3.6 18 18 A 936 GLN H A 1021 ARG O 1.0 2.0 2.6 19 19 A 1021 ARG N A 936 GLN O 1.0 3.0 3.6 20 20 A 1021 ARG H A 936 GLN O 1.0 2.0 2.6 21 21 A 937 ASN N A 952 THR O 1.0 3.0 3.6 22 22 A 937 ASN H A 952 THR O 1.0 2.0 2.6 23 23 A 938 GLU N A 1019 ARG O 1.0 3.0 3.6 24 24 A 938 GLU H A 1019 ARG O 1.0 2.0 2.6 25 25 A 1019 ARG N A 938 GLU O 1.0 3.0 3.6 26 26 A 1019 ARG H A 938 GLU O 1.0 2.0 2.6 27 27 A 939 SER N A 947 LYS O 1.0 3.0 3.6 28 28 A 939 SER H A 947 LYS O 1.0 2.0 2.6 29 29 A 947 LYS N A 939 SER O 1.0 3.0 3.6 30 30 A 947 LYS H A 939 SER O 1.0 2.0 2.6 31 31 A 940 ARG N A 1017 THR O 1.0 3.0 3.6 32 32 A 940 ARG H A 1017 THR O 1.0 2.0 2.6 33 33 A 974 GLU N A 1028 LYS O 1.0 3.0 3.6 34 34 A 974 GLU H A 1028 LYS O 1.0 2.0 2.6 35 35 A 1028 LYS N A 974 GLU O 1.0 3.0 3.6 36 36 A 1028 LYS H A 974 GLU O 1.0 2.0 2.6 37 37 A 981 SER N A 1024 VAL O 1.0 3.0 3.6 38 38 A 981 SER H A 1024 VAL O 1.0 2.0 2.6 39 39 A 1024 VAL N A 981 SER O 1.0 3.0 3.6 40 40 A 1024 VAL H A 981 SER O 1.0 2.0 2.6 41 41 A 994 GLU N A 1020 ARG O 1.0 3.0 3.6 42 42 A 994 GLU H A 1020 ARG O 1.0 2.0 2.6 43 43 A 1020 ARG N A 994 GLU O 1.0 3.0 3.6 44 44 A 1020 ARG H A 994 GLU O 1.0 2.0 2.6 45 45 A 995 TYR N A 1009 VAL O 1.0 3.0 3.6 46 46 A 995 TYR H A 1009 VAL O 1.0 2.0 2.6 47 47 A 996 GLY N A 1018 HIS O 1.0 3.0 3.6 48 48 A 996 GLY H A 1018 HIS O 1.0 2.0 2.6 stop_ save_ save_CNS/XPLOR_dihedral_10 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_10 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 928 THR C A 929 GLU N A 929 GLU CA A 929 GLU C 1.0 -173.0 -103.0 PHI 2 2 A 929 GLU C A 930 PHE N A 930 PHE CA A 930 PHE C 1.0 -181.0 -105.0 PHI 3 3 A 930 PHE C A 931 THR N A 931 THR CA A 931 THR C 1.0 -140.0 -70.0 PHI 4 4 A 931 THR C A 932 ASP N A 932 ASP CA A 932 ASP C 1.0 -172.0 -78.0 PHI 5 5 A 932 ASP C A 933 GLU N A 933 GLU CA A 933 GLU C 1.0 -170.0 -110.0 PHI 6 6 A 934 VAL C A 935 TYR N A 935 TYR CA A 935 TYR C 1.0 -144.0 -80.0 PHI 7 7 A 935 TYR C A 936 GLN N A 936 GLN CA A 936 GLN C 1.0 -160.0 -80.0 PHI 8 8 A 936 GLN C A 937 ASN N A 937 ASN CA A 937 ASN C 1.0 -166.0 -84.0 PHI 9 9 A 937 ASN C A 938 GLU N A 938 GLU CA A 938 GLU C 1.0 -163.0 -115.0 PHI 10 10 A 938 GLU C A 939 SER N A 939 SER CA A 939 SER C 1.0 -163.0 -93.0 PHI 11 11 A 939 SER C A 940 ARG N A 940 ARG CA A 940 ARG C 1.0 -157.0 -95.0 PHI 12 12 A 947 LYS C A 948 PRO N A 948 PRO CA A 948 PRO C 1.0 -74.0 -50.0 PHI 13 13 A 950 GLU C A 951 ASP N A 951 ASP CA A 951 ASP C 1.0 -131.0 -75.0 PHI 14 14 A 951 ASP C A 952 THR N A 952 THR CA A 952 THR C 1.0 -111.0 -31.0 PHI 15 15 A 952 THR C A 953 TYR N A 953 TYR CA A 953 TYR C 1.0 -163.0 -63.0 PHI 16 16 A 953 TYR C A 954 THR N A 954 THR CA A 954 THR C 1.0 -161.0 -109.0 PHI 17 17 A 954 THR C A 955 ASP N A 955 ASP CA A 955 ASP C 1.0 -143.0 -43.0 PHI 18 18 A 955 ASP C A 956 ALA N A 956 ALA CA A 956 ALA C 1.0 -73.0 -53.0 PHI 19 19 A 956 ALA C A 957 ASN N A 957 ASN CA A 957 ASN C 1.0 -131.0 -59.0 PHI 20 20 A 958 GLY C A 959 ASP N A 959 ASP CA A 959 ASP C 1.0 -154.0 -34.0 PHI 21 21 A 959 ASP C A 960 LYS N A 960 LYS CA A 960 LYS C 1.0 -104.0 -48.0 PHI 22 22 A 960 LYS C A 961 ALA N A 961 ALA CA A 961 ALA C 1.0 -157.0 -81.0 PHI 23 23 A 964 PRO C A 965 SER N A 965 SER CA A 965 SER C 1.0 -88.0 -52.0 PHI 24 24 A 965 SER C A 966 GLU N A 966 GLU CA A 966 GLU C 1.0 -118.0 -66.0 PHI 25 25 A 966 GLU C A 967 LEU N A 967 LEU CA A 967 LEU C 1.0 -118.0 -46.0 PHI 26 26 A 972 GLY C A 973 TRP N A 973 TRP CA A 973 TRP C 1.0 -147.0 -67.0 PHI 27 27 A 973 TRP C A 974 GLU N A 974 GLU CA A 974 GLU C 1.0 -170.0 -90.0 PHI 28 28 A 981 SER C A 982 TYR N A 982 TYR CA A 982 TYR C 1.0 -152.0 -76.0 PHI 29 29 A 985 ASN C A 986 ARG N A 986 ARG CA A 986 ARG C 1.0 -157.0 -57.0 PHI 30 30 A 986 ARG C A 987 ALA N A 987 ALA CA A 987 ALA C 1.0 -119.0 -63.0 PHI 31 31 A 987 ALA C A 988 VAL N A 988 VAL CA A 988 VAL C 1.0 -151.0 -107.0 PHI 32 32 A 988 VAL C A 989 ASP N A 989 ASP CA A 989 ASP C 1.0 -108.0 -56.0 PHI 33 33 A 989 ASP C A 990 GLU N A 990 GLU CA A 990 GLU C 1.0 -77.0 -53.0 PHI 34 34 A 993 TRP C A 994 GLU N A 994 GLU CA A 994 GLU C 1.0 -156.0 -100.0 PHI 35 35 A 996 GLY C A 997 ILE N A 997 ILE CA A 997 ILE C 1.0 -149.0 -93.0 PHI 36 36 A 998 THR C A 999 ILE N A 999 ILE CA A 999 ILE C 1.0 -154.0 -58.0 PHI 37 37 A 999 ILE C A 1000 PRO N A 1000 PRO CA A 1000 PRO C 1.0 -70.0 -50.0 PHI 38 38 A 1000 PRO C A 1001 PRO N A 1001 PRO CA A 1001 PRO C 1.0 -99.0 -31.0 PHI 39 39 A 1003 HIS C A 1004 LYS N A 1004 LYS CA A 1004 LYS C 1.0 -163.0 -39.0 PHI 40 40 A 1004 LYS C A 1005 PRO N A 1005 PRO CA A 1005 PRO C 1.0 -79.0 -51.0 PHI 41 41 A 1006 LYS C A 1007 SER N A 1007 SER CA A 1007 SER C 1.0 -193.0 -49.0 PHI 42 42 A 1007 SER C A 1008 TRP N A 1008 TRP CA A 1008 TRP C 1.0 -149.0 -85.0 PHI 43 43 A 1013 LYS C A 1014 MET N A 1014 MET CA A 1014 MET C 1.0 -81.0 -45.0 PHI 44 44 A 1017 THR C A 1018 HIS N A 1018 HIS CA A 1018 HIS C 1.0 -177.0 -77.0 PHI 45 45 A 1018 HIS C A 1019 ARG N A 1019 ARG CA A 1019 ARG C 1.0 -160.0 -92.0 PHI 46 46 A 1019 ARG C A 1020 ARG N A 1020 ARG CA A 1020 ARG C 1.0 -162.0 -110.0 PHI 47 47 A 1020 ARG C A 1021 ARG N A 1021 ARG CA A 1021 ARG C 1.0 -177.0 -125.0 PHI 48 48 A 1021 ARG C A 1022 ARG N A 1022 ARG CA A 1022 ARG C 1.0 -161.0 -65.0 PHI 49 49 A 1022 ARG C A 1023 LEU N A 1023 LEU CA A 1023 LEU C 1.0 -135.0 -75.0 PHI 50 50 A 1023 LEU C A 1024 VAL N A 1024 VAL CA A 1024 VAL C 1.0 -147.0 -99.0 PHI 51 51 A 1024 VAL C A 1025 ARG N A 1025 ARG CA A 1025 ARG C 1.0 -165.0 -17.0 PHI 52 52 A 1025 ARG C A 1026 LYS N A 1026 LYS CA A 1026 LYS C 1.0 -124.0 -68.0 PHI 53 53 A 1026 LYS C A 1027 ARG N A 1027 ARG CA A 1027 ARG C 1.0 -151.0 -107.0 PHI 54 54 A 1027 ARG C A 1028 LYS N A 1028 LYS CA A 1028 LYS C 1.0 -186.0 -94.0 PHI 55 55 A 1028 LYS C A 1029 LYS N A 1029 LYS CA A 1029 LYS C 1.0 -155.0 -43.0 PHI 56 56 A 929 GLU N A 929 GLU CA A 929 GLU C A 930 PHE N 1.0 130.0 174.0 PSI 57 57 A 930 PHE N A 930 PHE CA A 930 PHE C A 931 THR N 1.0 107.0 151.0 PSI 58 58 A 931 THR N A 931 THR CA A 931 THR C A 932 ASP N 1.0 108.0 146.0 PSI 59 59 A 932 ASP N A 932 ASP CA A 932 ASP C A 933 GLU N 1.0 107.0 175.0 PSI 60 60 A 933 GLU N A 933 GLU CA A 933 GLU C A 934 VAL N 1.0 144.0 172.0 PSI 61 61 A 935 TYR N A 935 TYR CA A 935 TYR C A 936 GLN N 1.0 114.0 150.0 PSI 62 62 A 936 GLN N A 936 GLN CA A 936 GLN C A 937 ASN N 1.0 111.0 171.0 PSI 63 63 A 937 ASN N A 937 ASN CA A 937 ASN C A 938 GLU N 1.0 109.0 171.0 PSI 64 64 A 938 GLU N A 938 GLU CA A 938 GLU C A 939 SER N 1.0 116.0 172.0 PSI 65 65 A 939 SER N A 939 SER CA A 939 SER C A 940 ARG N 1.0 118.0 178.0 PSI 66 66 A 940 ARG N A 940 ARG CA A 940 ARG C A 941 TYR N 1.0 126.0 158.0 PSI 67 67 A 948 PRO N A 948 PRO CA A 948 PRO C A 949 ALA N 1.0 125.0 165.0 PSI 68 68 A 952 THR N A 952 THR CA A 952 THR C A 953 TYR N 1.0 -64.0 -12.0 PSI 69 69 A 953 TYR N A 953 TYR CA A 953 TYR C A 954 THR N 1.0 106.0 162.0 PSI 70 70 A 954 THR N A 954 THR CA A 954 THR C A 955 ASP N 1.0 127.0 187.0 PSI 71 71 A 955 ASP N A 955 ASP CA A 955 ASP C A 956 ALA N 1.0 134.0 190.0 PSI 72 72 A 956 ALA N A 956 ALA CA A 956 ALA C A 957 ASN N 1.0 -46.0 -6.0 PSI 73 73 A 957 ASN N A 957 ASN CA A 957 ASN C A 958 GLY N 1.0 -51.0 37.0 PSI 74 74 A 959 ASP N A 959 ASP CA A 959 ASP C A 960 LYS N 1.0 84.0 192.0 PSI 75 75 A 960 LYS N A 960 LYS CA A 960 LYS C A 961 ALA N 1.0 110.0 150.0 PSI 76 76 A 961 ALA N A 961 ALA CA A 961 ALA C A 962 ALA N 1.0 115.0 187.0 PSI 77 77 A 965 SER N A 965 SER CA A 965 SER C A 966 GLU N 1.0 -60.0 4.0 PSI 78 78 A 966 GLU N A 966 GLU CA A 966 GLU C A 967 LEU N 1.0 -42.0 22.0 PSI 79 79 A 967 LEU N A 967 LEU CA A 967 LEU C A 968 THR N 1.0 112.0 168.0 PSI 80 80 A 973 TRP N A 973 TRP CA A 973 TRP C A 974 GLU N 1.0 110.0 178.0 PSI 81 81 A 974 GLU N A 974 GLU CA A 974 GLU C A 975 TRP N 1.0 118.0 174.0 PSI 82 82 A 982 TYR N A 982 TYR CA A 982 TYR C A 983 ASP N 1.0 119.0 155.0 PSI 83 83 A 986 ARG N A 986 ARG CA A 986 ARG C A 987 ALA N 1.0 99.0 183.0 PSI 84 84 A 987 ALA N A 987 ALA CA A 987 ALA C A 988 VAL N 1.0 69.0 181.0 PSI 85 85 A 988 VAL N A 988 VAL CA A 988 VAL C A 989 ASP N 1.0 108.0 188.0 PSI 86 86 A 989 ASP N A 989 ASP CA A 989 ASP C A 990 GLU N 1.0 150.0 186.0 PSI 87 87 A 990 GLU N A 990 GLU CA A 990 GLU C A 991 LYS N 1.0 -33.0 -9.0 PSI 88 88 A 994 GLU N A 994 GLU CA A 994 GLU C A 995 TYR N 1.0 126.0 162.0 PSI 89 89 A 997 ILE N A 997 ILE CA A 997 ILE C A 998 THR N 1.0 123.0 171.0 PSI 90 90 A 999 ILE N A 999 ILE CA A 999 ILE C A 1000 PRO N 1.0 91.0 183.0 PSI 91 91 A 1000 PRO N A 1000 PRO CA A 1000 PRO C A 1001 PRO N 1.0 127.0 155.0 PSI 92 92 A 1001 PRO N A 1001 PRO CA A 1001 PRO C A 1002 ASP N 1.0 115.0 171.0 PSI 93 93 A 1004 LYS N A 1004 LYS CA A 1004 LYS C A 1005 PRO N 1.0 86.0 186.0 PSI 94 94 A 1005 PRO N A 1005 PRO CA A 1005 PRO C A 1006 LYS N 1.0 126.0 170.0 PSI 95 95 A 1007 SER N A 1007 SER CA A 1007 SER C A 1008 TRP N 1.0 118.0 178.0 PSI 96 96 A 1008 TRP N A 1008 TRP CA A 1008 TRP C A 1009 VAL N 1.0 112.0 176.0 PSI 97 97 A 1014 MET N A 1014 MET CA A 1014 MET C A 1015 TYR N 1.0 -46.0 6.0 PSI 98 98 A 1018 HIS N A 1018 HIS CA A 1018 HIS C A 1019 ARG N 1.0 124.0 164.0 PSI 99 99 A 1019 ARG N A 1019 ARG CA A 1019 ARG C A 1020 ARG N 1.0 116.0 152.0 PSI 100 100 A 1020 ARG N A 1020 ARG CA A 1020 ARG C A 1021 ARG N 1.0 125.0 165.0 PSI 101 101 A 1021 ARG N A 1021 ARG CA A 1021 ARG C A 1022 ARG N 1.0 116.0 172.0 PSI 102 102 A 1022 ARG N A 1022 ARG CA A 1022 ARG C A 1023 LEU N 1.0 91.0 155.0 PSI 103 103 A 1023 LEU N A 1023 LEU CA A 1023 LEU C A 1024 VAL N 1.0 106.0 162.0 PSI 104 104 A 1024 VAL N A 1024 VAL CA A 1024 VAL C A 1025 ARG N 1.0 123.0 175.0 PSI 105 105 A 1025 ARG N A 1025 ARG CA A 1025 ARG C A 1026 LYS N 1.0 98.0 158.0 PSI 106 106 A 1026 LYS N A 1026 LYS CA A 1026 LYS C A 1027 ARG N 1.0 114.0 154.0 PSI 107 107 A 1027 ARG N A 1027 ARG CA A 1027 ARG C A 1028 LYS N 1.0 130.0 182.0 PSI 108 108 A 1028 LYS N A 1028 LYS CA A 1028 LYS C A 1029 LYS N 1.0 108.0 180.0 PSI 109 109 A 1031 LEU N A 1031 LEU CA A 1031 LEU C A 1032 THR N 1.0 -72.0 16.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_12 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_12 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 927 HIS N A 927 HIS H 1.0 . . . 2 2 A 928 THR N A 928 THR H 1.0 . . . 3 3 A 929 GLU N A 929 GLU H 1.0 . . . 4 4 A 930 PHE N A 930 PHE H 1.0 . . . 5 5 A 931 THR N A 931 THR H 1.0 . . . 6 6 A 932 ASP N A 932 ASP H 1.0 . . . 7 7 A 933 GLU N A 933 GLU H 1.0 . . . 8 8 A 934 VAL N A 934 VAL H 1.0 . . . 9 9 A 935 TYR N A 935 TYR H 1.0 . . . 10 10 A 936 GLN N A 936 GLN H 1.0 . . . 11 11 A 937 ASN N A 937 ASN H 1.0 . . . 12 12 A 938 GLU N A 938 GLU H 1.0 . . . 13 13 A 939 SER N A 939 SER H 1.0 . . . 14 14 A 940 ARG N A 940 ARG H 1.0 . . . 15 15 A 941 TYR N A 941 TYR H 1.0 . . . 16 16 A 943 GLY N A 943 GLY H 1.0 . . . 17 17 A 944 GLY N A 944 GLY H 1.0 . . . 18 18 A 945 ASP N A 945 ASP H 1.0 . . . 19 19 A 947 LYS N A 947 LYS H 1.0 . . . 20 20 A 949 ALA N A 949 ALA H 1.0 . . . 21 21 A 950 GLU N A 950 GLU H 1.0 . . . 22 22 A 951 ASP N A 951 ASP H 1.0 . . . 23 23 A 953 TYR N A 953 TYR H 1.0 . . . 24 24 A 954 THR N A 954 THR H 1.0 . . . 25 25 A 955 ASP N A 955 ASP H 1.0 . . . 26 26 A 956 ALA N A 956 ALA H 1.0 . . . 27 27 A 957 ASN N A 957 ASN H 1.0 . . . 28 28 A 958 GLY N A 958 GLY H 1.0 . . . 29 29 A 959 ASP N A 959 ASP H 1.0 . . . 30 30 A 961 ALA N A 961 ALA H 1.0 . . . 31 31 A 963 SER N A 963 SER H 1.0 . . . 32 32 A 965 SER N A 965 SER H 1.0 . . . 33 33 A 966 GLU N A 966 GLU H 1.0 . . . 34 34 A 967 LEU N A 967 LEU H 1.0 . . . 35 35 A 968 THR N A 968 THR H 1.0 . . . 36 36 A 972 GLY N A 972 GLY H 1.0 . . . 37 37 A 973 TRP N A 973 TRP H 1.0 . . . 38 38 A 974 GLU N A 974 GLU H 1.0 . . . 39 39 A 975 TRP N A 975 TRP H 1.0 . . . 40 40 A 976 GLU N A 976 GLU H 1.0 . . . 41 41 A 977 ASP N A 977 ASP H 1.0 . . . 42 42 A 978 ASP N A 978 ASP H 1.0 . . . 43 43 A 979 ALA N A 979 ALA H 1.0 . . . 44 44 A 980 TRP N A 980 TRP H 1.0 . . . 45 45 A 981 SER N A 981 SER H 1.0 . . . 46 46 A 982 TYR N A 982 TYR H 1.0 . . . 47 47 A 983 ASP N A 983 ASP H 1.0 . . . 48 48 A 984 ILE N A 984 ILE H 1.0 . . . 49 49 A 985 ASN N A 985 ASN H 1.0 . . . 50 50 A 986 ARG N A 986 ARG H 1.0 . . . 51 51 A 987 ALA N A 987 ALA H 1.0 . . . 52 52 A 989 ASP N A 989 ASP H 1.0 . . . 53 53 A 990 GLU N A 990 GLU H 1.0 . . . 54 54 A 991 LYS N A 991 LYS H 1.0 . . . 55 55 A 992 GLY N A 992 GLY H 1.0 . . . 56 56 A 993 TRP N A 993 TRP H 1.0 . . . 57 57 A 994 GLU N A 994 GLU H 1.0 . . . 58 58 A 996 GLY N A 996 GLY H 1.0 . . . 59 59 A 997 ILE N A 997 ILE H 1.0 . . . 60 60 A 998 THR N A 998 THR H 1.0 . . . 61 61 A 999 ILE N A 999 ILE H 1.0 . . . 62 62 A 1003 HIS N A 1003 HIS H 1.0 . . . 63 63 A 1004 LYS N A 1004 LYS H 1.0 . . . 64 64 A 1006 LYS N A 1006 LYS H 1.0 . . . 65 65 A 1007 SER N A 1007 SER H 1.0 . . . 66 66 A 1008 TRP N A 1008 TRP H 1.0 . . . 67 67 A 1009 VAL N A 1009 VAL H 1.0 . . . 68 68 A 1010 ALA N A 1010 ALA H 1.0 . . . 69 69 A 1011 ALA N A 1011 ALA H 1.0 . . . 70 70 A 1012 GLU N A 1012 GLU H 1.0 . . . 71 71 A 1013 LYS N A 1013 LYS H 1.0 . . . 72 72 A 1014 MET N A 1014 MET H 1.0 . . . 73 73 A 1015 TYR N A 1015 TYR H 1.0 . . . 74 74 A 1016 HIS N A 1016 HIS H 1.0 . . . 75 75 A 1017 THR N A 1017 THR H 1.0 . . . 76 76 A 1018 HIS N A 1018 HIS H 1.0 . . . 77 77 A 1019 ARG N A 1019 ARG H 1.0 . . . 78 78 A 1020 ARG N A 1020 ARG H 1.0 . . . 79 79 A 1021 ARG N A 1021 ARG H 1.0 . . . 80 80 A 1022 ARG N A 1022 ARG H 1.0 . . . 81 81 A 1024 VAL N A 1024 VAL H 1.0 . . . 82 82 A 1025 ARG N A 1025 ARG H 1.0 . . . 83 83 A 1026 LYS N A 1026 LYS H 1.0 . . . 84 84 A 1027 ARG N A 1027 ARG H 1.0 . . . 85 85 A 1028 LYS N A 1028 LYS H 1.0 . . . 86 86 A 1029 LYS N A 1029 LYS H 1.0 . . . 87 87 A 1030 ASP N A 1030 ASP H 1.0 . . . stop_ save_