data_25899 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25899 _Entry.PDB_ID 2N9B save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25899 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 883 883 HIS C C 883 175.500 175.500 177.385 -1.885 25899 2 1 1 . 1 1 883 883 HIS CA C 883 56.720 56.720 58.721 -2.001 25899 3 1 1 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.886 0.154 25899 4 1 1 . 1 1 884 884 GLU N N 884 121.300 121.300 119.796 1.504 25899 5 1 1 . 1 1 884 884 GLU HA H 884 4.223 4.223 3.992 0.231 25899 6 1 1 . 1 1 884 884 GLU C C 884 176.600 176.600 177.492 -0.892 25899 7 1 1 . 1 1 884 884 GLU CA C 884 57.510 57.510 59.025 -1.515 25899 8 1 1 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.151 0.899 25899 9 1 1 . 1 1 884 884 GLU H H 884 8.428 8.428 8.163 0.265 25899 10 1 1 . 1 1 885 885 ASN N N 885 119.500 119.500 118.193 1.307 25899 11 1 1 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.434 0.257 25899 12 1 1 . 1 1 885 885 ASN C C 885 175.900 175.900 177.576 -1.676 25899 13 1 1 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.767 -2.007 25899 14 1 1 . 1 1 885 885 ASN CB C 885 38.730 38.730 37.973 0.757 25899 15 1 1 . 1 1 885 885 ASN H H 885 8.474 8.474 7.718 0.756 25899 16 1 1 . 1 1 886 886 LYS N N 886 121.700 121.700 120.335 1.365 25899 17 1 1 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.040 0.190 25899 18 1 1 . 1 1 886 886 LYS C C 886 177.700 177.700 179.169 -1.469 25899 19 1 1 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.763 -2.023 25899 20 1 1 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.249 0.311 25899 21 1 1 . 1 1 886 886 LYS H H 886 8.311 8.311 8.266 0.045 25899 22 1 1 . 1 1 887 887 GLN N N 887 119.600 119.600 119.725 -0.125 25899 23 1 1 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.117 0.122 25899 24 1 1 . 1 1 887 887 GLN C C 887 177.200 177.200 178.475 -1.275 25899 25 1 1 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.733 -0.503 25899 26 1 1 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.220 0.690 25899 27 1 1 . 1 1 887 887 GLN H H 887 8.247 8.247 7.752 0.495 25899 28 1 1 . 1 1 888 888 VAL N N 888 119.100 119.100 119.563 -0.463 25899 29 1 1 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.599 0.183 25899 30 1 1 . 1 1 888 888 VAL C C 888 177.600 177.600 178.226 -0.626 25899 31 1 1 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.818 -1.498 25899 32 1 1 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.556 0.434 25899 33 1 1 . 1 1 888 888 VAL H H 888 7.843 7.843 7.984 -0.141 25899 34 1 1 . 1 1 889 889 GLU N N 889 120.400 120.400 119.197 1.203 25899 35 1 1 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.980 -0.002 25899 36 1 1 . 1 1 889 889 GLU C C 889 178.900 178.900 178.881 0.019 25899 37 1 1 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.557 0.083 25899 38 1 1 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.339 0.131 25899 39 1 1 . 1 1 889 889 GLU H H 889 8.090 8.090 8.667 -0.577 25899 40 1 1 . 1 1 890 890 GLU N N 890 120.700 120.700 120.700 0.000 25899 41 1 1 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.066 0.198 25899 42 1 1 . 1 1 890 890 GLU C C 890 178.200 178.200 179.075 -0.875 25899 43 1 1 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.416 -0.296 25899 44 1 1 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.630 0.040 25899 45 1 1 . 1 1 890 890 GLU H H 890 8.133 8.133 8.063 0.070 25899 46 1 1 . 1 1 891 891 ILE N N 891 119.400 119.400 120.419 -1.019 25899 47 1 1 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.797 -0.246 25899 48 1 1 . 1 1 891 891 ILE C C 891 177.400 177.400 177.905 -0.505 25899 49 1 1 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.632 1.188 25899 50 1 1 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.777 0.123 25899 51 1 1 . 1 1 891 891 ILE H H 891 7.799 7.799 8.040 -0.241 25899 52 1 1 . 1 1 892 892 LEU N N 892 118.400 118.400 121.490 -3.090 25899 53 1 1 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.978 0.130 25899 54 1 1 . 1 1 892 892 LEU C C 892 180.100 180.100 178.334 1.766 25899 55 1 1 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.443 -0.373 25899 56 1 1 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.508 0.182 25899 57 1 1 . 1 1 892 892 LEU H H 892 7.814 7.814 7.902 -0.088 25899 58 1 1 . 1 1 893 893 ARG N N 893 119.900 119.900 118.540 1.360 25899 59 1 1 . 1 1 893 893 ARG HA H 893 4.029 4.029 3.920 0.109 25899 60 1 1 . 1 1 893 893 ARG C C 893 179.500 179.500 178.873 0.627 25899 61 1 1 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.858 -0.068 25899 62 1 1 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.105 0.035 25899 63 1 1 . 1 1 893 893 ARG H H 893 7.918 7.918 7.792 0.126 25899 64 1 1 . 1 1 894 894 LEU N N 894 121.300 121.300 120.363 0.937 25899 65 1 1 . 1 1 894 894 LEU HA H 894 4.075 4.075 3.936 0.139 25899 66 1 1 . 1 1 894 894 LEU C C 894 179.200 179.200 179.027 0.173 25899 67 1 1 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.986 0.145 25899 68 1 1 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.423 1.087 25899 69 1 1 . 1 1 894 894 LEU H H 894 8.236 8.236 7.874 0.362 25899 70 1 1 . 1 1 895 895 GLU N N 895 118.200 118.200 119.753 -1.553 25899 71 1 1 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.946 0.016 25899 72 1 1 . 1 1 895 895 GLU C C 895 180.100 180.100 179.285 0.815 25899 73 1 1 . 1 1 895 895 GLU CA C 895 60.270 60.270 60.004 0.266 25899 74 1 1 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.287 0.213 25899 75 1 1 . 1 1 895 895 GLU H H 895 8.780 8.780 8.623 0.157 25899 76 1 1 . 1 1 896 896 LYS N N 896 120.600 120.600 119.417 1.183 25899 77 1 1 . 1 1 896 896 LYS C C 896 178.300 178.300 179.288 -0.988 25899 78 1 1 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.647 -0.667 25899 79 1 1 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.550 -0.710 25899 80 1 1 . 1 1 896 896 LYS H H 896 7.884 7.884 7.928 -0.044 25899 81 1 1 . 1 1 897 897 GLU N N 897 121.100 121.100 119.925 1.175 25899 82 1 1 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.131 0.024 25899 83 1 1 . 1 1 897 897 GLU C C 897 179.800 179.800 178.985 0.815 25899 84 1 1 . 1 1 897 897 GLU CA C 897 59.870 59.870 58.936 0.934 25899 85 1 1 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.449 -0.219 25899 86 1 1 . 1 1 897 897 GLU H H 897 7.913 7.913 8.097 -0.184 25899 87 1 1 . 1 1 898 898 ILE N N 898 120.000 120.000 120.159 -0.159 25899 88 1 1 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.737 -0.202 25899 89 1 1 . 1 1 898 898 ILE C C 898 177.300 177.300 177.981 -0.681 25899 90 1 1 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.383 1.917 25899 91 1 1 . 1 1 898 898 ILE CB C 898 38.130 38.130 37.084 1.046 25899 92 1 1 . 1 1 898 898 ILE H H 898 8.274 8.274 8.579 -0.305 25899 93 1 1 . 1 1 899 899 GLU N N 899 120.400 120.400 120.791 -0.391 25899 94 1 1 . 1 1 899 899 GLU HA H 899 4.024 4.024 3.874 0.150 25899 95 1 1 . 1 1 899 899 GLU C C 899 179.400 179.400 178.755 0.645 25899 96 1 1 . 1 1 899 899 GLU CA C 899 59.890 59.890 60.245 -0.354 25899 97 1 1 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.387 0.144 25899 98 1 1 . 1 1 899 899 GLU H H 899 7.891 7.891 8.597 -0.706 25899 99 1 1 . 1 1 900 900 ASP N N 900 119.600 119.600 120.217 -0.617 25899 100 1 1 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.394 0.070 25899 101 1 1 . 1 1 900 900 ASP C C 900 179.800 179.800 178.999 0.801 25899 102 1 1 . 1 1 900 900 ASP CA C 900 57.710 57.710 57.223 0.487 25899 103 1 1 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.436 0.124 25899 104 1 1 . 1 1 900 900 ASP H H 900 8.231 8.231 7.762 0.469 25899 105 1 1 . 1 1 901 901 LEU N N 901 122.200 122.200 120.922 1.278 25899 106 1 1 . 1 1 901 901 LEU HA H 901 4.122 4.122 4.083 0.039 25899 107 1 1 . 1 1 901 901 LEU C C 901 179.900 179.900 179.263 0.637 25899 108 1 1 . 1 1 901 901 LEU CA C 901 58.370 58.370 57.950 0.420 25899 109 1 1 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.688 2.062 25899 110 1 1 . 1 1 901 901 LEU H H 901 8.470 8.470 7.811 0.659 25899 111 1 1 . 1 1 902 902 GLN N N 902 121.000 121.000 118.287 2.713 25899 112 1 1 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.953 0.140 25899 113 1 1 . 1 1 902 902 GLN C C 902 179.100 179.100 178.979 0.121 25899 114 1 1 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.122 0.298 25899 115 1 1 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.177 -0.377 25899 116 1 1 . 1 1 902 902 GLN H H 902 9.079 9.079 8.596 0.483 25899 117 1 1 . 1 1 903 903 ARG N N 903 119.900 119.900 119.124 0.776 25899 118 1 1 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.126 0.074 25899 119 1 1 . 1 1 903 903 ARG C C 903 179.800 179.800 179.090 0.710 25899 120 1 1 . 1 1 903 903 ARG CA C 903 59.440 59.440 59.275 0.165 25899 121 1 1 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.159 0.121 25899 122 1 1 . 1 1 903 903 ARG H H 903 8.107 8.107 8.081 0.026 25899 123 1 1 . 1 1 904 904 MET N N 904 119.500 119.500 119.271 0.229 25899 124 1 1 . 1 1 904 904 MET HA H 904 4.218 4.218 4.059 0.159 25899 125 1 1 . 1 1 904 904 MET C C 904 177.800 177.800 178.165 -0.365 25899 126 1 1 . 1 1 904 904 MET CA C 904 58.590 58.590 59.565 -0.975 25899 127 1 1 . 1 1 904 904 MET CB C 904 32.280 32.280 32.364 -0.084 25899 128 1 1 . 1 1 904 904 MET H H 904 8.005 8.005 8.005 -0.000 25899 129 1 1 . 1 1 905 905 LYS N N 905 121.900 121.900 120.786 1.114 25899 130 1 1 . 1 1 905 905 LYS HA H 905 4.369 4.369 4.199 0.170 25899 131 1 1 . 1 1 905 905 LYS C C 905 179.300 179.300 179.121 0.179 25899 132 1 1 . 1 1 905 905 LYS CA C 905 59.290 59.290 59.644 -0.354 25899 133 1 1 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.392 0.028 25899 134 1 1 . 1 1 905 905 LYS H H 905 8.465 8.465 8.039 0.426 25899 135 1 1 . 1 1 906 906 GLU N N 906 119.200 119.200 118.979 0.221 25899 136 1 1 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.056 0.096 25899 137 1 1 . 1 1 906 906 GLU C C 906 179.400 179.400 179.421 -0.021 25899 138 1 1 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.375 -0.015 25899 139 1 1 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.571 0.049 25899 140 1 1 . 1 1 906 906 GLU H H 906 8.013 8.013 7.951 0.062 25899 141 1 1 . 1 1 907 907 ARG N N 907 120.000 120.000 119.655 0.345 25899 142 1 1 . 1 1 907 907 ARG HA H 907 4.161 4.161 3.973 0.188 25899 143 1 1 . 1 1 907 907 ARG C C 907 179.800 179.800 179.034 0.766 25899 144 1 1 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.661 -0.191 25899 145 1 1 . 1 1 907 907 ARG CB C 907 30.060 30.060 30.160 -0.100 25899 146 1 1 . 1 1 907 907 ARG H H 907 7.946 7.946 8.552 -0.606 25899 147 1 1 . 1 1 908 908 GLN N N 908 119.300 119.300 118.740 0.560 25899 148 1 1 . 1 1 908 908 GLN HA H 908 4.269 4.269 4.008 0.261 25899 149 1 1 . 1 1 908 908 GLN C C 908 178.400 178.400 178.550 -0.150 25899 150 1 1 . 1 1 908 908 GLN CA C 908 59.410 59.410 59.050 0.360 25899 151 1 1 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.522 0.938 25899 152 1 1 . 1 1 908 908 GLN H H 908 8.639 8.639 8.120 0.519 25899 153 1 1 . 1 1 909 909 GLU N N 909 120.300 120.300 120.543 -0.243 25899 154 1 1 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.026 -0.006 25899 155 1 1 . 1 1 909 909 GLU C C 909 179.700 179.700 179.256 0.444 25899 156 1 1 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.357 0.553 25899 157 1 1 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.474 -0.083 25899 158 1 1 . 1 1 909 909 GLU H H 909 8.346 8.346 7.854 0.492 25899 159 1 1 . 1 1 910 910 LEU N N 910 121.100 121.100 119.798 1.302 25899 160 1 1 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.026 0.205 25899 161 1 1 . 1 1 910 910 LEU C C 910 180.100 180.100 178.963 1.137 25899 162 1 1 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.824 0.546 25899 163 1 1 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.725 -0.235 25899 164 1 1 . 1 1 910 910 LEU H H 910 7.825 7.825 7.957 -0.132 25899 165 1 1 . 1 1 911 911 SER N N 911 116.500 116.500 115.112 1.388 25899 166 1 1 . 1 1 911 911 SER HA H 911 4.322 4.322 4.183 0.139 25899 167 1 1 . 1 1 911 911 SER C C 911 177.300 177.300 176.678 0.622 25899 168 1 1 . 1 1 911 911 SER CA C 911 62.340 62.340 61.671 0.669 25899 169 1 1 . 1 1 911 911 SER CB C 911 62.990 62.990 62.995 -0.005 25899 170 1 1 . 1 1 911 911 SER H H 911 8.142 8.142 7.794 0.348 25899 171 1 1 . 1 1 912 912 LEU N N 912 125.300 125.300 121.835 3.465 25899 172 1 1 . 1 1 912 912 LEU HA H 912 4.213 4.213 3.977 0.236 25899 173 1 1 . 1 1 912 912 LEU C C 912 179.500 179.500 178.846 0.654 25899 174 1 1 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.231 0.159 25899 175 1 1 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.764 -0.144 25899 176 1 1 . 1 1 912 912 LEU H H 912 8.651 8.651 7.878 0.773 25899 177 1 1 . 1 1 913 913 THR N N 913 120.000 120.000 115.886 4.114 25899 178 1 1 . 1 1 913 913 THR HA H 913 3.983 3.983 3.924 0.059 25899 179 1 1 . 1 1 913 913 THR C C 913 176.800 176.800 177.106 -0.306 25899 180 1 1 . 1 1 913 913 THR CA C 913 67.130 67.130 67.356 -0.226 25899 181 1 1 . 1 1 913 913 THR CB C 913 68.680 68.680 68.441 0.239 25899 182 1 1 . 1 1 913 913 THR H H 913 8.419 8.419 7.793 0.626 25899 183 1 1 . 1 1 914 914 GLU N N 914 122.200 122.200 121.350 0.850 25899 184 1 1 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.055 0.003 25899 185 1 1 . 1 1 914 914 GLU C C 914 178.800 178.800 178.769 0.031 25899 186 1 1 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.219 0.600 25899 187 1 1 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.399 0.201 25899 188 1 1 . 1 1 914 914 GLU H H 914 8.189 8.189 8.244 -0.055 25899 189 1 1 . 1 1 915 915 ALA N N 915 1.501 1.501 123.713 -122.212 25899 190 1 1 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.007 0.210 25899 191 1 1 . 1 1 915 915 ALA C C 915 180.700 180.700 179.475 1.225 25899 192 1 1 . 1 1 915 915 ALA CA C 915 55.200 55.200 55.312 -0.112 25899 193 1 1 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.182 -0.282 25899 194 1 1 . 1 1 915 915 ALA H H 915 8.315 8.315 8.468 -0.153 25899 195 1 1 . 1 1 916 916 SER N N 916 115.000 115.000 114.724 0.276 25899 196 1 1 . 1 1 916 916 SER HA H 916 4.233 4.233 4.211 0.022 25899 197 1 1 . 1 1 916 916 SER C C 916 176.700 176.700 176.849 -0.149 25899 198 1 1 . 1 1 916 916 SER CA C 916 62.080 62.080 61.664 0.416 25899 199 1 1 . 1 1 916 916 SER CB C 916 62.710 62.710 62.869 -0.159 25899 200 1 1 . 1 1 916 916 SER H H 916 8.238 8.238 7.893 0.345 25899 201 1 1 . 1 1 917 917 LEU N N 917 123.500 123.500 122.400 1.100 25899 202 1 1 . 1 1 917 917 LEU HA H 917 4.113 4.113 3.929 0.184 25899 203 1 1 . 1 1 917 917 LEU C C 917 180.000 180.000 178.602 1.398 25899 204 1 1 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.795 0.385 25899 205 1 1 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.723 -0.083 25899 206 1 1 . 1 1 917 917 LEU H H 917 7.880 7.880 7.851 0.029 25899 207 1 1 . 1 1 918 918 GLN N N 918 119.000 119.000 119.059 -0.059 25899 208 1 1 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.944 0.156 25899 209 1 1 . 1 1 918 918 GLN C C 918 178.900 178.900 178.307 0.593 25899 210 1 1 . 1 1 918 918 GLN CA C 918 58.910 58.910 59.304 -0.394 25899 211 1 1 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.521 -0.231 25899 212 1 1 . 1 1 918 918 GLN H H 918 8.201 8.201 8.441 -0.240 25899 213 1 1 . 1 1 919 919 LYS N N 919 120.300 120.300 120.015 0.285 25899 214 1 1 . 1 1 919 919 LYS HA H 919 3.883 3.883 3.982 -0.099 25899 215 1 1 . 1 1 919 919 LYS C C 919 177.600 177.600 179.350 -1.750 25899 216 1 1 . 1 1 919 919 LYS CA C 919 60.600 60.600 59.618 0.982 25899 217 1 1 . 1 1 919 919 LYS CB C 919 32.380 32.380 32.257 0.123 25899 218 1 1 . 1 1 919 919 LYS H H 919 8.191 8.191 7.765 0.426 25899 219 1 1 . 1 1 920 920 LEU N N 920 119.100 119.100 120.097 -0.997 25899 220 1 1 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.966 0.217 25899 221 1 1 . 1 1 920 920 LEU C C 920 179.500 179.500 179.139 0.361 25899 222 1 1 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.256 0.014 25899 223 1 1 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.499 0.351 25899 224 1 1 . 1 1 920 920 LEU H H 920 7.738 7.738 7.845 -0.107 25899 225 1 1 . 1 1 921 921 GLN N N 921 117.500 117.500 118.230 -0.730 25899 226 1 1 . 1 1 921 921 GLN HA H 921 4.170 4.170 3.989 0.181 25899 227 1 1 . 1 1 921 921 GLN C C 921 180.000 180.000 178.944 1.056 25899 228 1 1 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.692 0.408 25899 229 1 1 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.246 0.224 25899 230 1 1 . 1 1 921 921 GLN H H 921 7.828 7.828 7.729 0.099 25899 231 1 1 . 1 1 922 922 LEU N N 922 121.500 121.500 120.504 0.996 25899 232 1 1 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.966 -0.002 25899 233 1 1 . 1 1 922 922 LEU C C 922 178.700 178.700 178.891 -0.191 25899 234 1 1 . 1 1 922 922 LEU CA C 922 58.160 58.160 58.370 -0.210 25899 235 1 1 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.633 1.956 25899 236 1 1 . 1 1 922 922 LEU H H 922 8.078 8.078 7.924 0.154 25899 237 1 1 . 1 1 923 923 GLU N N 923 120.400 120.400 119.595 0.805 25899 238 1 1 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.872 0.024 25899 239 1 1 . 1 1 923 923 GLU C C 923 180.100 180.100 179.093 1.007 25899 240 1 1 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.737 0.703 25899 241 1 1 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.125 0.145 25899 242 1 1 . 1 1 923 923 GLU H H 923 8.738 8.738 7.930 0.808 25899 243 1 1 . 1 1 924 924 ASP N N 924 120.100 120.100 120.036 0.064 25899 244 1 1 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.401 0.069 25899 245 1 1 . 1 1 924 924 ASP C C 924 178.800 178.800 178.151 0.649 25899 246 1 1 . 1 1 924 924 ASP CA C 924 57.490 57.490 56.994 0.496 25899 247 1 1 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.722 -0.232 25899 248 1 1 . 1 1 924 924 ASP H H 924 8.102 8.102 7.813 0.289 25899 249 1 1 . 1 1 925 925 LYS N N 925 122.500 122.500 120.004 2.496 25899 250 1 1 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.057 0.163 25899 251 1 1 . 1 1 925 925 LYS C C 925 178.700 178.700 179.051 -0.351 25899 252 1 1 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.578 -0.958 25899 253 1 1 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.572 -1.022 25899 254 1 1 . 1 1 925 925 LYS H H 925 7.825 7.825 7.628 0.197 25899 255 1 1 . 1 1 926 926 VAL N N 926 120.000 120.000 119.435 0.565 25899 256 1 1 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.605 -0.169 25899 257 1 1 . 1 1 926 926 VAL C C 926 177.300 177.300 177.852 -0.552 25899 258 1 1 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.675 1.145 25899 259 1 1 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.457 0.243 25899 260 1 1 . 1 1 926 926 VAL H H 926 8.578 8.578 8.508 0.070 25899 261 1 1 . 1 1 927 927 GLU N N 927 118.000 118.000 120.256 -2.256 25899 262 1 1 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.832 0.279 25899 263 1 1 . 1 1 927 927 GLU C C 927 179.600 179.600 178.662 0.938 25899 264 1 1 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.062 -0.122 25899 265 1 1 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.605 -0.335 25899 266 1 1 . 1 1 927 927 GLU H H 927 7.848 7.848 8.593 -0.745 25899 267 1 1 . 1 1 928 928 GLU N N 928 120.900 120.900 118.994 1.906 25899 268 1 1 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.103 0.009 25899 269 1 1 . 1 1 928 928 GLU C C 928 179.700 179.700 179.486 0.214 25899 270 1 1 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.002 0.488 25899 271 1 1 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.442 0.378 25899 272 1 1 . 1 1 928 928 GLU H H 928 8.139 8.139 7.817 0.322 25899 273 1 1 . 1 1 929 929 LEU N N 929 120.600 120.600 120.402 0.198 25899 274 1 1 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.174 -0.149 25899 275 1 1 . 1 1 929 929 LEU C C 929 179.600 179.600 179.407 0.193 25899 276 1 1 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.410 0.650 25899 277 1 1 . 1 1 929 929 LEU CB C 929 43.360 43.360 40.948 2.412 25899 278 1 1 . 1 1 929 929 LEU H H 929 8.557 8.557 8.555 0.002 25899 279 1 1 . 1 1 930 930 LEU N N 930 122.000 122.000 120.717 1.283 25899 280 1 1 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.906 0.161 25899 281 1 1 . 1 1 930 930 LEU C C 930 180.000 180.000 178.734 1.266 25899 282 1 1 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.722 -0.432 25899 283 1 1 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.757 0.333 25899 284 1 1 . 1 1 930 930 LEU H H 930 9.107 9.107 8.868 0.239 25899 285 1 1 . 1 1 931 931 SER N N 931 114.800 114.800 115.525 -0.725 25899 286 1 1 . 1 1 931 931 SER HA H 931 4.346 4.346 4.176 0.170 25899 287 1 1 . 1 1 931 931 SER C C 931 177.700 177.700 176.788 0.912 25899 288 1 1 . 1 1 931 931 SER CA C 931 61.790 61.790 62.371 -0.581 25899 289 1 1 . 1 1 931 931 SER CB C 931 62.830 62.830 62.667 0.163 25899 290 1 1 . 1 1 931 931 SER H H 931 7.883 7.883 8.093 -0.210 25899 291 1 1 . 1 1 932 932 LYS N N 932 122.200 122.200 121.992 0.208 25899 292 1 1 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.016 0.204 25899 293 1 1 . 1 1 932 932 LYS C C 932 178.800 178.800 178.809 -0.009 25899 294 1 1 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.998 -0.218 25899 295 1 1 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.327 0.453 25899 296 1 1 . 1 1 932 932 LYS H H 932 8.202 8.202 8.302 -0.100 25899 297 1 1 . 1 1 933 933 ASN N N 933 119.500 119.500 118.767 0.733 25899 298 1 1 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.490 -0.089 25899 299 1 1 . 1 1 933 933 ASN C C 933 176.800 176.800 177.577 -0.777 25899 300 1 1 . 1 1 933 933 ASN CA C 933 57.330 57.330 55.986 1.344 25899 301 1 1 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.114 0.896 25899 302 1 1 . 1 1 933 933 ASN H H 933 8.777 8.777 8.585 0.192 25899 303 1 1 . 1 1 934 934 TYR N N 934 120.300 120.300 122.531 -2.231 25899 304 1 1 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.432 -0.060 25899 305 1 1 . 1 1 934 934 TYR C C 934 178.200 178.200 177.897 0.303 25899 306 1 1 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.551 -0.711 25899 307 1 1 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.426 -0.496 25899 308 1 1 . 1 1 934 934 TYR H H 934 8.236 8.236 8.369 -0.133 25899 309 1 1 . 1 1 935 935 HIS N N 935 118.000 118.000 119.258 -1.258 25899 310 1 1 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.135 0.218 25899 311 1 1 . 1 1 935 935 HIS C C 935 178.600 178.600 177.503 1.097 25899 312 1 1 . 1 1 935 935 HIS CA C 935 59.910 59.910 59.953 -0.043 25899 313 1 1 . 1 1 935 935 HIS CB C 935 29.790 29.790 29.779 0.011 25899 314 1 1 . 1 1 935 935 HIS H H 935 7.817 7.817 7.941 -0.124 25899 315 1 1 . 1 1 936 936 LEU N N 936 120.500 120.500 119.445 1.055 25899 316 1 1 . 1 1 936 936 LEU HA H 936 4.123 4.123 3.859 0.264 25899 317 1 1 . 1 1 936 936 LEU C C 936 178.900 178.900 178.444 0.456 25899 318 1 1 . 1 1 936 936 LEU CA C 936 58.220 58.220 58.000 0.220 25899 319 1 1 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.591 2.049 25899 320 1 1 . 1 1 936 936 LEU H H 936 8.522 8.522 8.280 0.242 25899 321 1 1 . 1 1 937 937 GLU N N 937 119.600 119.600 120.308 -0.708 25899 322 1 1 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.776 0.135 25899 323 1 1 . 1 1 937 937 GLU C C 937 180.300 180.300 178.925 1.375 25899 324 1 1 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.910 0.370 25899 325 1 1 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.271 -0.001 25899 326 1 1 . 1 1 937 937 GLU H H 937 8.856 8.856 8.650 0.206 25899 327 1 1 . 1 1 938 938 ASN N N 938 118.900 118.900 117.410 1.490 25899 328 1 1 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.343 0.091 25899 329 1 1 . 1 1 938 938 ASN C C 938 177.900 177.900 177.989 -0.089 25899 330 1 1 . 1 1 938 938 ASN CA C 938 56.100 56.100 55.728 0.372 25899 331 1 1 . 1 1 938 938 ASN CB C 938 38.010 38.010 37.623 0.387 25899 332 1 1 . 1 1 938 938 ASN H H 938 7.735 7.735 7.779 -0.044 25899 333 1 1 . 1 1 939 939 GLU N N 939 123.800 123.800 120.140 3.660 25899 334 1 1 . 1 1 939 939 GLU HA H 939 4.442 4.442 3.968 0.474 25899 335 1 1 . 1 1 939 939 GLU C C 939 178.400 178.400 178.954 -0.554 25899 336 1 1 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.257 -0.547 25899 337 1 1 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.508 0.622 25899 338 1 1 . 1 1 939 939 GLU H H 939 8.098 8.098 7.477 0.621 25899 339 1 1 . 1 1 940 940 VAL N N 940 120.000 120.000 117.368 2.632 25899 340 1 1 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.724 -0.324 25899 341 1 1 . 1 1 940 940 VAL C C 940 177.400 177.400 177.624 -0.224 25899 342 1 1 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.425 1.295 25899 343 1 1 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.002 0.628 25899 344 1 1 . 1 1 940 940 VAL H H 940 8.669 8.669 8.306 0.363 25899 345 1 1 . 1 1 941 941 ALA N N 941 119.800 119.800 122.520 -2.720 25899 346 1 1 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.913 0.101 25899 347 1 1 . 1 1 941 941 ALA C C 941 180.500 180.500 179.368 1.132 25899 348 1 1 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.249 0.151 25899 349 1 1 . 1 1 941 941 ALA CB C 941 18.030 18.030 17.917 0.113 25899 350 1 1 . 1 1 941 941 ALA H H 941 7.725 7.725 8.290 -0.565 25899 351 1 1 . 1 1 942 942 ARG N N 942 119.400 119.400 118.972 0.428 25899 352 1 1 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.023 -0.058 25899 353 1 1 . 1 1 942 942 ARG C C 942 179.300 179.300 178.709 0.591 25899 354 1 1 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.150 0.370 25899 355 1 1 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.172 0.568 25899 356 1 1 . 1 1 942 942 ARG H H 942 7.904 7.904 7.740 0.164 25899 357 1 1 . 1 1 943 943 LEU N N 943 120.100 120.100 119.662 0.438 25899 358 1 1 . 1 1 943 943 LEU HA H 943 3.972 3.972 3.966 0.006 25899 359 1 1 . 1 1 943 943 LEU C C 943 179.300 179.300 178.907 0.393 25899 360 1 1 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.492 0.588 25899 361 1 1 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.728 2.212 25899 362 1 1 . 1 1 943 943 LEU H H 943 8.417 8.417 7.642 0.775 25899 363 1 1 . 1 1 944 944 LYS N N 944 118.700 118.700 119.448 -0.748 25899 364 1 1 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.919 -0.095 25899 365 1 1 . 1 1 944 944 LYS C C 944 179.500 179.500 178.748 0.752 25899 366 1 1 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.483 1.317 25899 367 1 1 . 1 1 944 944 LYS CB C 944 32.460 32.460 31.824 0.636 25899 368 1 1 . 1 1 944 944 LYS H H 944 8.955 8.955 8.401 0.554 25899 369 1 1 . 1 1 945 945 LYS N N 945 117.000 117.000 119.042 -2.042 25899 370 1 1 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.059 0.105 25899 371 1 1 . 1 1 945 945 LYS C C 945 179.000 179.000 179.085 -0.085 25899 372 1 1 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.188 -0.518 25899 373 1 1 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.284 -0.014 25899 374 1 1 . 1 1 945 945 LYS H H 945 7.291 7.291 7.451 -0.160 25899 375 1 1 . 1 1 946 946 LEU N N 946 118.700 118.700 119.508 -0.808 25899 376 1 1 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.028 0.175 25899 377 1 1 . 1 1 946 946 LEU C C 946 179.000 179.000 178.878 0.122 25899 378 1 1 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.518 -0.398 25899 379 1 1 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.654 1.026 25899 380 1 1 . 1 1 946 946 LEU H H 946 7.441 7.441 7.467 -0.026 25899 381 1 1 . 1 1 947 947 VAL N N 947 113.800 113.800 116.661 -2.861 25899 382 1 1 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.878 0.270 25899 383 1 1 . 1 1 947 947 VAL C C 947 176.600 176.600 176.842 -0.242 25899 384 1 1 . 1 1 947 947 VAL CA C 947 62.750 62.750 63.672 -0.922 25899 385 1 1 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.357 0.263 25899 386 1 1 . 1 1 947 947 VAL H H 947 7.677 7.677 7.371 0.306 25899 387 1 1 . 1 1 948 948 GLY N N 948 109.600 109.600 106.001 3.599 25899 388 1 1 . 1 1 948 948 GLY C C 948 174.200 174.200 173.784 0.416 25899 389 1 1 . 1 1 948 948 GLY CA C 948 46.020 46.020 44.756 1.264 25899 390 1 1 . 1 1 948 948 GLY H H 948 7.853 7.853 8.189 -0.336 25899 391 1 2 . 1 1 883 883 HIS C C 883 175.500 175.500 176.915 -1.415 25899 392 1 2 . 1 1 883 883 HIS CA C 883 56.720 56.720 59.047 -2.327 25899 393 1 2 . 1 1 883 883 HIS CB C 883 30.040 30.040 30.040 0.000 25899 394 1 2 . 1 1 884 884 GLU N N 884 121.300 121.300 120.007 1.293 25899 395 1 2 . 1 1 884 884 GLU HA H 884 4.223 4.223 3.983 0.240 25899 396 1 2 . 1 1 884 884 GLU C C 884 176.600 176.600 178.159 -1.559 25899 397 1 2 . 1 1 884 884 GLU CA C 884 57.510 57.510 58.922 -1.412 25899 398 1 2 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.271 0.779 25899 399 1 2 . 1 1 884 884 GLU H H 884 8.428 8.428 8.152 0.276 25899 400 1 2 . 1 1 885 885 ASN N N 885 119.500 119.500 117.545 1.955 25899 401 1 2 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.443 0.247 25899 402 1 2 . 1 1 885 885 ASN C C 885 175.900 175.900 177.533 -1.633 25899 403 1 2 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.308 -1.548 25899 404 1 2 . 1 1 885 885 ASN CB C 885 38.730 38.730 38.025 0.705 25899 405 1 2 . 1 1 885 885 ASN H H 885 8.474 8.474 7.740 0.734 25899 406 1 2 . 1 1 886 886 LYS N N 886 121.700 121.700 120.652 1.048 25899 407 1 2 . 1 1 886 886 LYS HA H 886 4.230 4.230 3.972 0.258 25899 408 1 2 . 1 1 886 886 LYS C C 886 177.700 177.700 179.050 -1.350 25899 409 1 2 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.839 -2.099 25899 410 1 2 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.192 0.368 25899 411 1 2 . 1 1 886 886 LYS H H 886 8.311 8.311 8.295 0.016 25899 412 1 2 . 1 1 887 887 GLN N N 887 119.600 119.600 119.433 0.167 25899 413 1 2 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.038 0.201 25899 414 1 2 . 1 1 887 887 GLN C C 887 177.200 177.200 178.518 -1.318 25899 415 1 2 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.922 -0.692 25899 416 1 2 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.894 0.016 25899 417 1 2 . 1 1 887 887 GLN H H 887 8.247 8.247 7.729 0.518 25899 418 1 2 . 1 1 888 888 VAL N N 888 119.100 119.100 119.255 -0.155 25899 419 1 2 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.633 0.149 25899 420 1 2 . 1 1 888 888 VAL C C 888 177.600 177.600 178.282 -0.682 25899 421 1 2 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.586 -1.266 25899 422 1 2 . 1 1 888 888 VAL CB C 888 31.990 31.990 30.878 1.112 25899 423 1 2 . 1 1 888 888 VAL H H 888 7.843 7.843 7.989 -0.146 25899 424 1 2 . 1 1 889 889 GLU N N 889 120.400 120.400 118.838 1.562 25899 425 1 2 . 1 1 889 889 GLU HA H 889 3.978 3.978 4.042 -0.064 25899 426 1 2 . 1 1 889 889 GLU C C 889 178.900 178.900 179.073 -0.173 25899 427 1 2 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.518 0.122 25899 428 1 2 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.160 0.310 25899 429 1 2 . 1 1 889 889 GLU H H 889 8.090 8.090 8.632 -0.542 25899 430 1 2 . 1 1 890 890 GLU N N 890 120.700 120.700 120.540 0.160 25899 431 1 2 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.081 0.183 25899 432 1 2 . 1 1 890 890 GLU C C 890 178.200 178.200 179.133 -0.933 25899 433 1 2 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.350 -0.230 25899 434 1 2 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.565 0.105 25899 435 1 2 . 1 1 890 890 GLU H H 890 8.133 8.133 8.106 0.027 25899 436 1 2 . 1 1 891 891 ILE N N 891 119.400 119.400 120.691 -1.291 25899 437 1 2 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.746 -0.195 25899 438 1 2 . 1 1 891 891 ILE C C 891 177.400 177.400 177.956 -0.556 25899 439 1 2 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.840 0.980 25899 440 1 2 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.910 -0.010 25899 441 1 2 . 1 1 891 891 ILE H H 891 7.799 7.799 8.195 -0.396 25899 442 1 2 . 1 1 892 892 LEU N N 892 118.400 118.400 119.706 -1.306 25899 443 1 2 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.835 0.273 25899 444 1 2 . 1 1 892 892 LEU C C 892 180.100 180.100 179.104 0.996 25899 445 1 2 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.337 -0.267 25899 446 1 2 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.267 0.423 25899 447 1 2 . 1 1 892 892 LEU H H 892 7.814 7.814 7.828 -0.014 25899 448 1 2 . 1 1 893 893 ARG N N 893 119.900 119.900 119.026 0.874 25899 449 1 2 . 1 1 893 893 ARG HA H 893 4.029 4.029 4.012 0.017 25899 450 1 2 . 1 1 893 893 ARG C C 893 179.500 179.500 178.886 0.614 25899 451 1 2 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.570 0.220 25899 452 1 2 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.018 0.122 25899 453 1 2 . 1 1 893 893 ARG H H 893 7.918 7.918 7.694 0.224 25899 454 1 2 . 1 1 894 894 LEU N N 894 121.300 121.300 120.251 1.049 25899 455 1 2 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.012 0.063 25899 456 1 2 . 1 1 894 894 LEU C C 894 179.200 179.200 179.090 0.110 25899 457 1 2 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.974 0.156 25899 458 1 2 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.555 0.955 25899 459 1 2 . 1 1 894 894 LEU H H 894 8.236 8.236 7.897 0.339 25899 460 1 2 . 1 1 895 895 GLU N N 895 118.200 118.200 119.646 -1.446 25899 461 1 2 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.976 -0.014 25899 462 1 2 . 1 1 895 895 GLU C C 895 180.100 180.100 179.370 0.730 25899 463 1 2 . 1 1 895 895 GLU CA C 895 60.270 60.270 59.877 0.393 25899 464 1 2 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.271 0.229 25899 465 1 2 . 1 1 895 895 GLU H H 895 8.780 8.780 8.071 0.709 25899 466 1 2 . 1 1 896 896 LYS N N 896 120.600 120.600 119.366 1.234 25899 467 1 2 . 1 1 896 896 LYS C C 896 178.300 178.300 178.938 -0.638 25899 468 1 2 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.561 -0.581 25899 469 1 2 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.676 -0.836 25899 470 1 2 . 1 1 896 896 LYS H H 896 7.884 7.884 7.864 0.020 25899 471 1 2 . 1 1 897 897 GLU N N 897 121.100 121.100 120.000 1.100 25899 472 1 2 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.066 0.089 25899 473 1 2 . 1 1 897 897 GLU C C 897 179.800 179.800 178.833 0.967 25899 474 1 2 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.361 0.509 25899 475 1 2 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.778 -0.548 25899 476 1 2 . 1 1 897 897 GLU H H 897 7.913 7.913 8.232 -0.319 25899 477 1 2 . 1 1 898 898 ILE N N 898 120.000 120.000 120.638 -0.638 25899 478 1 2 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.714 -0.179 25899 479 1 2 . 1 1 898 898 ILE C C 898 177.300 177.300 177.130 0.170 25899 480 1 2 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.072 2.228 25899 481 1 2 . 1 1 898 898 ILE CB C 898 38.130 38.130 38.161 -0.031 25899 482 1 2 . 1 1 898 898 ILE H H 898 8.274 8.274 8.468 -0.194 25899 483 1 2 . 1 1 899 899 GLU N N 899 120.400 120.400 120.122 0.278 25899 484 1 2 . 1 1 899 899 GLU HA H 899 4.024 4.024 4.034 -0.010 25899 485 1 2 . 1 1 899 899 GLU C C 899 179.400 179.400 178.392 1.008 25899 486 1 2 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.709 0.181 25899 487 1 2 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.253 0.277 25899 488 1 2 . 1 1 899 899 GLU H H 899 7.891 7.891 7.890 0.001 25899 489 1 2 . 1 1 900 900 ASP N N 900 119.600 119.600 120.461 -0.861 25899 490 1 2 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.404 0.060 25899 491 1 2 . 1 1 900 900 ASP C C 900 179.800 179.800 178.691 1.109 25899 492 1 2 . 1 1 900 900 ASP CA C 900 57.710 57.710 56.860 0.850 25899 493 1 2 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.648 -0.088 25899 494 1 2 . 1 1 900 900 ASP H H 900 8.231 8.231 7.679 0.552 25899 495 1 2 . 1 1 901 901 LEU N N 901 122.200 122.200 119.919 2.281 25899 496 1 2 . 1 1 901 901 LEU HA H 901 4.122 4.122 3.968 0.154 25899 497 1 2 . 1 1 901 901 LEU C C 901 179.900 179.900 179.423 0.477 25899 498 1 2 . 1 1 901 901 LEU CA C 901 58.370 58.370 57.717 0.653 25899 499 1 2 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.688 2.062 25899 500 1 2 . 1 1 901 901 LEU H H 901 8.470 8.470 7.642 0.828 25899 501 1 2 . 1 1 902 902 GLN N N 902 121.000 121.000 118.359 2.641 25899 502 1 2 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.891 0.202 25899 503 1 2 . 1 1 902 902 GLN C C 902 179.100 179.100 178.638 0.462 25899 504 1 2 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.710 -0.290 25899 505 1 2 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.545 -0.745 25899 506 1 2 . 1 1 902 902 GLN H H 902 9.079 9.079 8.244 0.835 25899 507 1 2 . 1 1 903 903 ARG N N 903 119.900 119.900 118.974 0.926 25899 508 1 2 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.098 0.102 25899 509 1 2 . 1 1 903 903 ARG C C 903 179.800 179.800 179.072 0.728 25899 510 1 2 . 1 1 903 903 ARG CA C 903 59.440 59.440 59.423 0.017 25899 511 1 2 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.195 0.085 25899 512 1 2 . 1 1 903 903 ARG H H 903 8.107 8.107 7.997 0.110 25899 513 1 2 . 1 1 904 904 MET N N 904 119.500 119.500 119.201 0.299 25899 514 1 2 . 1 1 904 904 MET HA H 904 4.218 4.218 4.081 0.137 25899 515 1 2 . 1 1 904 904 MET C C 904 177.800 177.800 178.300 -0.500 25899 516 1 2 . 1 1 904 904 MET CA C 904 58.590 58.590 59.513 -0.923 25899 517 1 2 . 1 1 904 904 MET CB C 904 32.280 32.280 32.419 -0.139 25899 518 1 2 . 1 1 904 904 MET H H 904 8.005 8.005 8.086 -0.081 25899 519 1 2 . 1 1 905 905 LYS N N 905 121.900 121.900 120.158 1.742 25899 520 1 2 . 1 1 905 905 LYS HA H 905 4.369 4.369 3.970 0.399 25899 521 1 2 . 1 1 905 905 LYS C C 905 179.300 179.300 178.835 0.465 25899 522 1 2 . 1 1 905 905 LYS CA C 905 59.290 59.290 59.840 -0.550 25899 523 1 2 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.389 0.031 25899 524 1 2 . 1 1 905 905 LYS H H 905 8.465 8.465 8.231 0.234 25899 525 1 2 . 1 1 906 906 GLU N N 906 119.200 119.200 119.218 -0.018 25899 526 1 2 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.061 0.091 25899 527 1 2 . 1 1 906 906 GLU C C 906 179.400 179.400 179.417 -0.017 25899 528 1 2 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.485 -0.125 25899 529 1 2 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.624 -0.004 25899 530 1 2 . 1 1 906 906 GLU H H 906 8.013 8.013 8.332 -0.319 25899 531 1 2 . 1 1 907 907 ARG N N 907 120.000 120.000 119.489 0.511 25899 532 1 2 . 1 1 907 907 ARG HA H 907 4.161 4.161 3.994 0.167 25899 533 1 2 . 1 1 907 907 ARG C C 907 179.800 179.800 179.143 0.657 25899 534 1 2 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.576 -0.106 25899 535 1 2 . 1 1 907 907 ARG CB C 907 30.060 30.060 30.115 -0.055 25899 536 1 2 . 1 1 907 907 ARG H H 907 7.946 7.946 8.570 -0.624 25899 537 1 2 . 1 1 908 908 GLN N N 908 119.300 119.300 118.273 1.027 25899 538 1 2 . 1 1 908 908 GLN HA H 908 4.269 4.269 4.082 0.187 25899 539 1 2 . 1 1 908 908 GLN C C 908 178.400 178.400 178.470 -0.070 25899 540 1 2 . 1 1 908 908 GLN CA C 908 59.410 59.410 58.681 0.729 25899 541 1 2 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.389 1.071 25899 542 1 2 . 1 1 908 908 GLN H H 908 8.639 8.639 8.041 0.598 25899 543 1 2 . 1 1 909 909 GLU N N 909 120.300 120.300 120.602 -0.302 25899 544 1 2 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.042 -0.022 25899 545 1 2 . 1 1 909 909 GLU C C 909 179.700 179.700 179.342 0.358 25899 546 1 2 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.315 0.595 25899 547 1 2 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.465 -0.076 25899 548 1 2 . 1 1 909 909 GLU H H 909 8.346 8.346 7.945 0.401 25899 549 1 2 . 1 1 910 910 LEU N N 910 121.100 121.100 120.123 0.977 25899 550 1 2 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.013 0.218 25899 551 1 2 . 1 1 910 910 LEU C C 910 180.100 180.100 179.024 1.076 25899 552 1 2 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.942 0.428 25899 553 1 2 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.806 -0.316 25899 554 1 2 . 1 1 910 910 LEU H H 910 7.825 7.825 8.127 -0.302 25899 555 1 2 . 1 1 911 911 SER N N 911 116.500 116.500 115.821 0.679 25899 556 1 2 . 1 1 911 911 SER HA H 911 4.322 4.322 4.129 0.193 25899 557 1 2 . 1 1 911 911 SER C C 911 177.300 177.300 176.806 0.494 25899 558 1 2 . 1 1 911 911 SER CA C 911 62.340 62.340 62.228 0.112 25899 559 1 2 . 1 1 911 911 SER CB C 911 62.990 62.990 63.100 -0.110 25899 560 1 2 . 1 1 911 911 SER H H 911 8.142 8.142 7.786 0.356 25899 561 1 2 . 1 1 912 912 LEU N N 912 125.300 125.300 122.081 3.219 25899 562 1 2 . 1 1 912 912 LEU HA H 912 4.213 4.213 4.071 0.142 25899 563 1 2 . 1 1 912 912 LEU C C 912 179.500 179.500 178.780 0.720 25899 564 1 2 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.267 0.122 25899 565 1 2 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.683 -0.063 25899 566 1 2 . 1 1 912 912 LEU H H 912 8.651 8.651 8.053 0.598 25899 567 1 2 . 1 1 913 913 THR N N 913 120.000 120.000 116.446 3.554 25899 568 1 2 . 1 1 913 913 THR HA H 913 3.983 3.983 3.929 0.054 25899 569 1 2 . 1 1 913 913 THR C C 913 176.800 176.800 176.731 0.069 25899 570 1 2 . 1 1 913 913 THR CA C 913 67.130 67.130 67.558 -0.429 25899 571 1 2 . 1 1 913 913 THR CB C 913 68.680 68.680 68.205 0.475 25899 572 1 2 . 1 1 913 913 THR H H 913 8.419 8.419 7.919 0.500 25899 573 1 2 . 1 1 914 914 GLU N N 914 122.200 122.200 121.220 0.980 25899 574 1 2 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.009 0.049 25899 575 1 2 . 1 1 914 914 GLU C C 914 178.800 178.800 178.832 -0.032 25899 576 1 2 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.337 0.483 25899 577 1 2 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.481 0.119 25899 578 1 2 . 1 1 914 914 GLU H H 914 8.189 8.189 7.859 0.330 25899 579 1 2 . 1 1 915 915 ALA N N 915 1.501 1.501 122.076 -120.575 25899 580 1 2 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.070 0.147 25899 581 1 2 . 1 1 915 915 ALA C C 915 180.700 180.700 179.849 0.851 25899 582 1 2 . 1 1 915 915 ALA CA C 915 55.200 55.200 55.012 0.188 25899 583 1 2 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.248 -0.348 25899 584 1 2 . 1 1 915 915 ALA H H 915 8.315 8.315 7.941 0.374 25899 585 1 2 . 1 1 916 916 SER N N 916 115.000 115.000 115.630 -0.630 25899 586 1 2 . 1 1 916 916 SER HA H 916 4.233 4.233 4.150 0.083 25899 587 1 2 . 1 1 916 916 SER C C 916 176.700 176.700 176.663 0.037 25899 588 1 2 . 1 1 916 916 SER CA C 916 62.080 62.080 62.457 -0.377 25899 589 1 2 . 1 1 916 916 SER CB C 916 62.710 62.710 62.927 -0.217 25899 590 1 2 . 1 1 916 916 SER H H 916 8.238 8.238 8.266 -0.028 25899 591 1 2 . 1 1 917 917 LEU N N 917 123.500 123.500 121.511 1.989 25899 592 1 2 . 1 1 917 917 LEU HA H 917 4.113 4.113 4.037 0.076 25899 593 1 2 . 1 1 917 917 LEU C C 917 180.000 180.000 178.874 1.126 25899 594 1 2 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.982 0.198 25899 595 1 2 . 1 1 917 917 LEU CB C 917 41.640 41.640 40.988 0.652 25899 596 1 2 . 1 1 917 917 LEU H H 917 7.880 7.880 7.742 0.138 25899 597 1 2 . 1 1 918 918 GLN N N 918 119.000 119.000 118.390 0.610 25899 598 1 2 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.967 0.133 25899 599 1 2 . 1 1 918 918 GLN C C 918 178.900 178.900 178.754 0.146 25899 600 1 2 . 1 1 918 918 GLN CA C 918 58.910 58.910 58.808 0.102 25899 601 1 2 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.096 0.194 25899 602 1 2 . 1 1 918 918 GLN H H 918 8.201 8.201 7.760 0.441 25899 603 1 2 . 1 1 919 919 LYS N N 919 120.300 120.300 119.678 0.622 25899 604 1 2 . 1 1 919 919 LYS HA H 919 3.883 3.883 4.054 -0.171 25899 605 1 2 . 1 1 919 919 LYS C C 919 177.600 177.600 179.211 -1.611 25899 606 1 2 . 1 1 919 919 LYS CA C 919 60.600 60.600 58.383 2.217 25899 607 1 2 . 1 1 919 919 LYS CB C 919 32.380 32.380 31.913 0.467 25899 608 1 2 . 1 1 919 919 LYS H H 919 8.191 8.191 7.791 0.400 25899 609 1 2 . 1 1 920 920 LEU N N 920 119.100 119.100 120.202 -1.102 25899 610 1 2 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.969 0.214 25899 611 1 2 . 1 1 920 920 LEU C C 920 179.500 179.500 178.898 0.602 25899 612 1 2 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.629 -0.359 25899 613 1 2 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.481 0.369 25899 614 1 2 . 1 1 920 920 LEU H H 920 7.738 7.738 7.887 -0.149 25899 615 1 2 . 1 1 921 921 GLN N N 921 117.500 117.500 118.103 -0.603 25899 616 1 2 . 1 1 921 921 GLN HA H 921 4.170 4.170 4.036 0.134 25899 617 1 2 . 1 1 921 921 GLN C C 921 180.000 180.000 178.899 1.101 25899 618 1 2 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.293 0.807 25899 619 1 2 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.319 0.151 25899 620 1 2 . 1 1 921 921 GLN H H 921 7.828 7.828 7.700 0.128 25899 621 1 2 . 1 1 922 922 LEU N N 922 121.500 121.500 120.397 1.103 25899 622 1 2 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.972 -0.008 25899 623 1 2 . 1 1 922 922 LEU C C 922 178.700 178.700 178.976 -0.276 25899 624 1 2 . 1 1 922 922 LEU CA C 922 58.160 58.160 58.219 -0.059 25899 625 1 2 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.581 2.009 25899 626 1 2 . 1 1 922 922 LEU H H 922 8.078 8.078 7.769 0.309 25899 627 1 2 . 1 1 923 923 GLU N N 923 120.400 120.400 119.738 0.662 25899 628 1 2 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.910 -0.014 25899 629 1 2 . 1 1 923 923 GLU C C 923 180.100 180.100 179.135 0.965 25899 630 1 2 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.757 0.683 25899 631 1 2 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.168 0.102 25899 632 1 2 . 1 1 923 923 GLU H H 923 8.738 8.738 8.034 0.704 25899 633 1 2 . 1 1 924 924 ASP N N 924 120.100 120.100 120.004 0.096 25899 634 1 2 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.400 0.070 25899 635 1 2 . 1 1 924 924 ASP C C 924 178.800 178.800 178.502 0.298 25899 636 1 2 . 1 1 924 924 ASP CA C 924 57.490 57.490 57.064 0.426 25899 637 1 2 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.257 0.233 25899 638 1 2 . 1 1 924 924 ASP H H 924 8.102 8.102 7.864 0.238 25899 639 1 2 . 1 1 925 925 LYS N N 925 122.500 122.500 121.412 1.088 25899 640 1 2 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.035 0.185 25899 641 1 2 . 1 1 925 925 LYS C C 925 178.700 178.700 178.844 -0.144 25899 642 1 2 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.397 -0.777 25899 643 1 2 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.567 -1.017 25899 644 1 2 . 1 1 925 925 LYS H H 925 7.825 7.825 7.501 0.324 25899 645 1 2 . 1 1 926 926 VAL N N 926 120.000 120.000 119.291 0.709 25899 646 1 2 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.646 -0.210 25899 647 1 2 . 1 1 926 926 VAL C C 926 177.300 177.300 177.793 -0.493 25899 648 1 2 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.859 0.961 25899 649 1 2 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.244 0.457 25899 650 1 2 . 1 1 926 926 VAL H H 926 8.578 8.578 8.041 0.537 25899 651 1 2 . 1 1 927 927 GLU N N 927 118.000 118.000 120.876 -2.876 25899 652 1 2 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.898 0.213 25899 653 1 2 . 1 1 927 927 GLU C C 927 179.600 179.600 178.711 0.889 25899 654 1 2 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.327 -0.387 25899 655 1 2 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.437 -0.167 25899 656 1 2 . 1 1 927 927 GLU H H 927 7.848 7.848 8.742 -0.894 25899 657 1 2 . 1 1 928 928 GLU N N 928 120.900 120.900 119.858 1.042 25899 658 1 2 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.040 0.072 25899 659 1 2 . 1 1 928 928 GLU C C 928 179.700 179.700 179.393 0.307 25899 660 1 2 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.252 0.238 25899 661 1 2 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.567 0.253 25899 662 1 2 . 1 1 928 928 GLU H H 928 8.139 8.139 7.995 0.144 25899 663 1 2 . 1 1 929 929 LEU N N 929 120.600 120.600 120.180 0.420 25899 664 1 2 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.135 -0.110 25899 665 1 2 . 1 1 929 929 LEU C C 929 179.600 179.600 179.247 0.353 25899 666 1 2 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.670 0.390 25899 667 1 2 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.206 2.155 25899 668 1 2 . 1 1 929 929 LEU H H 929 8.557 8.557 7.880 0.677 25899 669 1 2 . 1 1 930 930 LEU N N 930 122.000 122.000 121.405 0.595 25899 670 1 2 . 1 1 930 930 LEU HA H 930 4.067 4.067 4.015 0.052 25899 671 1 2 . 1 1 930 930 LEU C C 930 180.000 180.000 179.143 0.857 25899 672 1 2 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.137 0.153 25899 673 1 2 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.953 0.137 25899 674 1 2 . 1 1 930 930 LEU H H 930 9.107 9.107 8.689 0.418 25899 675 1 2 . 1 1 931 931 SER N N 931 114.800 114.800 114.812 -0.012 25899 676 1 2 . 1 1 931 931 SER HA H 931 4.346 4.346 4.197 0.149 25899 677 1 2 . 1 1 931 931 SER C C 931 177.700 177.700 177.053 0.647 25899 678 1 2 . 1 1 931 931 SER CA C 931 61.790 61.790 62.138 -0.347 25899 679 1 2 . 1 1 931 931 SER CB C 931 62.830 62.830 62.906 -0.076 25899 680 1 2 . 1 1 931 931 SER H H 931 7.883 7.883 8.260 -0.377 25899 681 1 2 . 1 1 932 932 LYS N N 932 122.200 122.200 121.878 0.322 25899 682 1 2 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.091 0.129 25899 683 1 2 . 1 1 932 932 LYS C C 932 178.800 178.800 179.090 -0.290 25899 684 1 2 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.948 -0.168 25899 685 1 2 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.291 0.489 25899 686 1 2 . 1 1 932 932 LYS H H 932 8.202 8.202 8.178 0.024 25899 687 1 2 . 1 1 933 933 ASN N N 933 119.500 119.500 119.064 0.436 25899 688 1 2 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.406 -0.005 25899 689 1 2 . 1 1 933 933 ASN C C 933 176.800 176.800 177.661 -0.861 25899 690 1 2 . 1 1 933 933 ASN CA C 933 57.330 57.330 56.399 0.931 25899 691 1 2 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.511 0.499 25899 692 1 2 . 1 1 933 933 ASN H H 933 8.777 8.777 8.548 0.229 25899 693 1 2 . 1 1 934 934 TYR N N 934 120.300 120.300 121.482 -1.182 25899 694 1 2 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.103 0.269 25899 695 1 2 . 1 1 934 934 TYR C C 934 178.200 178.200 177.037 1.163 25899 696 1 2 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.139 -0.299 25899 697 1 2 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.375 -0.445 25899 698 1 2 . 1 1 934 934 TYR H H 934 8.236 8.236 8.026 0.210 25899 699 1 2 . 1 1 935 935 HIS N N 935 118.000 118.000 119.017 -1.017 25899 700 1 2 . 1 1 935 935 HIS HA H 935 4.353 4.353 3.966 0.387 25899 701 1 2 . 1 1 935 935 HIS C C 935 178.600 178.600 177.575 1.025 25899 702 1 2 . 1 1 935 935 HIS CA C 935 59.910 59.910 59.395 0.515 25899 703 1 2 . 1 1 935 935 HIS CB C 935 29.790 29.790 30.540 -0.750 25899 704 1 2 . 1 1 935 935 HIS H H 935 7.817 7.817 7.848 -0.031 25899 705 1 2 . 1 1 936 936 LEU N N 936 120.500 120.500 120.252 0.248 25899 706 1 2 . 1 1 936 936 LEU HA H 936 4.123 4.123 3.883 0.240 25899 707 1 2 . 1 1 936 936 LEU C C 936 178.900 178.900 178.992 -0.092 25899 708 1 2 . 1 1 936 936 LEU CA C 936 58.220 58.220 57.838 0.382 25899 709 1 2 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.719 1.921 25899 710 1 2 . 1 1 936 936 LEU H H 936 8.522 8.522 8.701 -0.179 25899 711 1 2 . 1 1 937 937 GLU N N 937 119.600 119.600 119.533 0.067 25899 712 1 2 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.872 0.039 25899 713 1 2 . 1 1 937 937 GLU C C 937 180.300 180.300 179.386 0.914 25899 714 1 2 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.684 0.596 25899 715 1 2 . 1 1 937 937 GLU CB C 937 29.270 29.270 28.952 0.318 25899 716 1 2 . 1 1 937 937 GLU H H 937 8.856 8.856 8.705 0.151 25899 717 1 2 . 1 1 938 938 ASN N N 938 118.900 118.900 117.867 1.033 25899 718 1 2 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.406 0.028 25899 719 1 2 . 1 1 938 938 ASN C C 938 177.900 177.900 178.043 -0.143 25899 720 1 2 . 1 1 938 938 ASN CA C 938 56.100 56.100 55.729 0.371 25899 721 1 2 . 1 1 938 938 ASN CB C 938 38.010 38.010 37.891 0.119 25899 722 1 2 . 1 1 938 938 ASN H H 938 7.735 7.735 7.863 -0.128 25899 723 1 2 . 1 1 939 939 GLU N N 939 123.800 123.800 120.647 3.153 25899 724 1 2 . 1 1 939 939 GLU HA H 939 4.442 4.442 3.953 0.489 25899 725 1 2 . 1 1 939 939 GLU C C 939 178.400 178.400 179.016 -0.616 25899 726 1 2 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.349 -0.639 25899 727 1 2 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.792 0.338 25899 728 1 2 . 1 1 939 939 GLU H H 939 8.098 8.098 7.568 0.530 25899 729 1 2 . 1 1 940 940 VAL N N 940 120.000 120.000 116.558 3.442 25899 730 1 2 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.685 -0.285 25899 731 1 2 . 1 1 940 940 VAL C C 940 177.400 177.400 177.655 -0.255 25899 732 1 2 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.182 1.538 25899 733 1 2 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.472 0.158 25899 734 1 2 . 1 1 940 940 VAL H H 940 8.669 8.669 8.387 0.282 25899 735 1 2 . 1 1 941 941 ALA N N 941 119.800 119.800 123.187 -3.387 25899 736 1 2 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.979 0.035 25899 737 1 2 . 1 1 941 941 ALA C C 941 180.500 180.500 179.279 1.221 25899 738 1 2 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.077 0.323 25899 739 1 2 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.307 -0.277 25899 740 1 2 . 1 1 941 941 ALA H H 941 7.725 7.725 8.460 -0.735 25899 741 1 2 . 1 1 942 942 ARG N N 942 119.400 119.400 119.050 0.350 25899 742 1 2 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.037 -0.072 25899 743 1 2 . 1 1 942 942 ARG C C 942 179.300 179.300 178.752 0.548 25899 744 1 2 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.177 0.343 25899 745 1 2 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.166 0.574 25899 746 1 2 . 1 1 942 942 ARG H H 942 7.904 7.904 7.769 0.135 25899 747 1 2 . 1 1 943 943 LEU N N 943 120.100 120.100 119.642 0.458 25899 748 1 2 . 1 1 943 943 LEU HA H 943 3.972 3.972 3.979 -0.007 25899 749 1 2 . 1 1 943 943 LEU C C 943 179.300 179.300 178.921 0.379 25899 750 1 2 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.523 0.557 25899 751 1 2 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.816 2.123 25899 752 1 2 . 1 1 943 943 LEU H H 943 8.417 8.417 7.631 0.786 25899 753 1 2 . 1 1 944 944 LYS N N 944 118.700 118.700 119.378 -0.678 25899 754 1 2 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.912 -0.088 25899 755 1 2 . 1 1 944 944 LYS C C 944 179.500 179.500 178.787 0.713 25899 756 1 2 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.923 0.877 25899 757 1 2 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.128 0.332 25899 758 1 2 . 1 1 944 944 LYS H H 944 8.955 8.955 8.444 0.511 25899 759 1 2 . 1 1 945 945 LYS N N 945 117.000 117.000 118.737 -1.737 25899 760 1 2 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.127 0.037 25899 761 1 2 . 1 1 945 945 LYS C C 945 179.000 179.000 178.879 0.121 25899 762 1 2 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.036 -0.366 25899 763 1 2 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.246 0.024 25899 764 1 2 . 1 1 945 945 LYS H H 945 7.291 7.291 7.779 -0.488 25899 765 1 2 . 1 1 946 946 LEU N N 946 118.700 118.700 118.785 -0.085 25899 766 1 2 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.016 0.187 25899 767 1 2 . 1 1 946 946 LEU C C 946 179.000 179.000 179.131 -0.131 25899 768 1 2 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.157 -0.037 25899 769 1 2 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.810 0.870 25899 770 1 2 . 1 1 946 946 LEU H H 946 7.441 7.441 7.389 0.052 25899 771 1 2 . 1 1 947 947 VAL N N 947 113.800 113.800 116.194 -2.394 25899 772 1 2 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.795 0.353 25899 773 1 2 . 1 1 947 947 VAL C C 947 176.600 176.600 176.697 -0.097 25899 774 1 2 . 1 1 947 947 VAL CA C 947 62.750 62.750 64.143 -1.393 25899 775 1 2 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.291 0.329 25899 776 1 2 . 1 1 947 947 VAL H H 947 7.677 7.677 7.409 0.268 25899 777 1 2 . 1 1 948 948 GLY N N 948 109.600 109.600 105.136 4.464 25899 778 1 2 . 1 1 948 948 GLY C C 948 174.200 174.200 172.651 1.549 25899 779 1 2 . 1 1 948 948 GLY CA C 948 46.020 46.020 46.110 -0.090 25899 780 1 2 . 1 1 948 948 GLY H H 948 7.853 7.853 8.298 -0.445 25899 781 1 3 . 1 1 883 883 HIS C C 883 175.500 175.500 177.536 -2.036 25899 782 1 3 . 1 1 883 883 HIS CA C 883 56.720 56.720 59.347 -2.627 25899 783 1 3 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.666 0.374 25899 784 1 3 . 1 1 884 884 GLU N N 884 121.300 121.300 119.988 1.312 25899 785 1 3 . 1 1 884 884 GLU HA H 884 4.223 4.223 4.071 0.152 25899 786 1 3 . 1 1 884 884 GLU C C 884 176.600 176.600 178.033 -1.433 25899 787 1 3 . 1 1 884 884 GLU CA C 884 57.510 57.510 58.917 -1.407 25899 788 1 3 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.068 0.982 25899 789 1 3 . 1 1 884 884 GLU H H 884 8.428 8.428 9.047 -0.619 25899 790 1 3 . 1 1 885 885 ASN N N 885 119.500 119.500 118.247 1.253 25899 791 1 3 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.392 0.298 25899 792 1 3 . 1 1 885 885 ASN C C 885 175.900 175.900 177.514 -1.614 25899 793 1 3 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.772 -2.012 25899 794 1 3 . 1 1 885 885 ASN CB C 885 38.730 38.730 38.335 0.395 25899 795 1 3 . 1 1 885 885 ASN H H 885 8.474 8.474 7.750 0.724 25899 796 1 3 . 1 1 886 886 LYS N N 886 121.700 121.700 120.230 1.470 25899 797 1 3 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.029 0.201 25899 798 1 3 . 1 1 886 886 LYS C C 886 177.700 177.700 179.134 -1.434 25899 799 1 3 . 1 1 886 886 LYS CA C 886 57.740 57.740 60.013 -2.273 25899 800 1 3 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.273 0.287 25899 801 1 3 . 1 1 886 886 LYS H H 886 8.311 8.311 8.217 0.094 25899 802 1 3 . 1 1 887 887 GLN N N 887 119.600 119.600 119.092 0.508 25899 803 1 3 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.069 0.170 25899 804 1 3 . 1 1 887 887 GLN C C 887 177.200 177.200 178.536 -1.336 25899 805 1 3 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.818 -0.588 25899 806 1 3 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.744 0.166 25899 807 1 3 . 1 1 887 887 GLN H H 887 8.247 8.247 7.675 0.572 25899 808 1 3 . 1 1 888 888 VAL N N 888 119.100 119.100 119.359 -0.259 25899 809 1 3 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.638 0.144 25899 810 1 3 . 1 1 888 888 VAL C C 888 177.600 177.600 178.283 -0.683 25899 811 1 3 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.348 -1.028 25899 812 1 3 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.055 0.935 25899 813 1 3 . 1 1 888 888 VAL H H 888 7.843 7.843 8.016 -0.173 25899 814 1 3 . 1 1 889 889 GLU N N 889 120.400 120.400 119.964 0.436 25899 815 1 3 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.983 -0.005 25899 816 1 3 . 1 1 889 889 GLU C C 889 178.900 178.900 178.925 -0.025 25899 817 1 3 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.849 -0.209 25899 818 1 3 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.389 0.081 25899 819 1 3 . 1 1 889 889 GLU H H 889 8.090 8.090 8.731 -0.641 25899 820 1 3 . 1 1 890 890 GLU N N 890 120.700 120.700 120.235 0.465 25899 821 1 3 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.111 0.153 25899 822 1 3 . 1 1 890 890 GLU C C 890 178.200 178.200 178.979 -0.779 25899 823 1 3 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.083 0.037 25899 824 1 3 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.286 0.384 25899 825 1 3 . 1 1 890 890 GLU H H 890 8.133 8.133 8.227 -0.094 25899 826 1 3 . 1 1 891 891 ILE N N 891 119.400 119.400 120.506 -1.106 25899 827 1 3 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.793 -0.242 25899 828 1 3 . 1 1 891 891 ILE C C 891 177.400 177.400 177.796 -0.396 25899 829 1 3 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.659 1.161 25899 830 1 3 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.884 0.016 25899 831 1 3 . 1 1 891 891 ILE H H 891 7.799 7.799 8.060 -0.261 25899 832 1 3 . 1 1 892 892 LEU N N 892 118.400 118.400 121.439 -3.039 25899 833 1 3 . 1 1 892 892 LEU HA H 892 4.108 4.108 4.000 0.108 25899 834 1 3 . 1 1 892 892 LEU C C 892 180.100 180.100 178.360 1.740 25899 835 1 3 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.259 -0.189 25899 836 1 3 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.544 0.146 25899 837 1 3 . 1 1 892 892 LEU H H 892 7.814 7.814 7.889 -0.075 25899 838 1 3 . 1 1 893 893 ARG N N 893 119.900 119.900 118.828 1.072 25899 839 1 3 . 1 1 893 893 ARG HA H 893 4.029 4.029 3.992 0.037 25899 840 1 3 . 1 1 893 893 ARG C C 893 179.500 179.500 178.903 0.597 25899 841 1 3 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.789 0.001 25899 842 1 3 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.008 0.132 25899 843 1 3 . 1 1 893 893 ARG H H 893 7.918 7.918 7.811 0.107 25899 844 1 3 . 1 1 894 894 LEU N N 894 121.300 121.300 120.376 0.924 25899 845 1 3 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.046 0.029 25899 846 1 3 . 1 1 894 894 LEU C C 894 179.200 179.200 179.343 -0.143 25899 847 1 3 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.847 0.283 25899 848 1 3 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.640 0.870 25899 849 1 3 . 1 1 894 894 LEU H H 894 8.236 8.236 7.983 0.253 25899 850 1 3 . 1 1 895 895 GLU N N 895 118.200 118.200 119.423 -1.223 25899 851 1 3 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.957 0.005 25899 852 1 3 . 1 1 895 895 GLU C C 895 180.100 180.100 179.207 0.893 25899 853 1 3 . 1 1 895 895 GLU CA C 895 60.270 60.270 59.993 0.277 25899 854 1 3 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.373 0.127 25899 855 1 3 . 1 1 895 895 GLU H H 895 8.780 8.780 8.272 0.508 25899 856 1 3 . 1 1 896 896 LYS N N 896 120.600 120.600 119.654 0.946 25899 857 1 3 . 1 1 896 896 LYS C C 896 178.300 178.300 179.312 -1.012 25899 858 1 3 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.575 -0.595 25899 859 1 3 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.672 -0.832 25899 860 1 3 . 1 1 896 896 LYS H H 896 7.884 7.884 7.916 -0.032 25899 861 1 3 . 1 1 897 897 GLU N N 897 121.100 121.100 120.064 1.036 25899 862 1 3 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.049 0.106 25899 863 1 3 . 1 1 897 897 GLU C C 897 179.800 179.800 179.089 0.711 25899 864 1 3 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.249 0.621 25899 865 1 3 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.756 -0.526 25899 866 1 3 . 1 1 897 897 GLU H H 897 7.913 7.913 8.304 -0.391 25899 867 1 3 . 1 1 898 898 ILE N N 898 120.000 120.000 120.679 -0.679 25899 868 1 3 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.706 -0.171 25899 869 1 3 . 1 1 898 898 ILE C C 898 177.300 177.300 177.313 -0.013 25899 870 1 3 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.110 2.190 25899 871 1 3 . 1 1 898 898 ILE CB C 898 38.130 38.130 38.153 -0.023 25899 872 1 3 . 1 1 898 898 ILE H H 898 8.274 8.274 8.478 -0.204 25899 873 1 3 . 1 1 899 899 GLU N N 899 120.400 120.400 119.591 0.809 25899 874 1 3 . 1 1 899 899 GLU HA H 899 4.024 4.024 3.939 0.085 25899 875 1 3 . 1 1 899 899 GLU C C 899 179.400 179.400 178.722 0.678 25899 876 1 3 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.669 0.221 25899 877 1 3 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.187 0.343 25899 878 1 3 . 1 1 899 899 GLU H H 899 7.891 7.891 7.937 -0.046 25899 879 1 3 . 1 1 900 900 ASP N N 900 119.600 119.600 120.592 -0.992 25899 880 1 3 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.428 0.036 25899 881 1 3 . 1 1 900 900 ASP C C 900 179.800 179.800 178.562 1.238 25899 882 1 3 . 1 1 900 900 ASP CA C 900 57.710 57.710 56.970 0.740 25899 883 1 3 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.658 -0.098 25899 884 1 3 . 1 1 900 900 ASP H H 900 8.231 8.231 7.744 0.487 25899 885 1 3 . 1 1 901 901 LEU N N 901 122.200 122.200 120.080 2.120 25899 886 1 3 . 1 1 901 901 LEU HA H 901 4.122 4.122 4.030 0.092 25899 887 1 3 . 1 1 901 901 LEU C C 901 179.900 179.900 179.173 0.727 25899 888 1 3 . 1 1 901 901 LEU CA C 901 58.370 58.370 58.310 0.060 25899 889 1 3 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.858 1.893 25899 890 1 3 . 1 1 901 901 LEU H H 901 8.470 8.470 7.736 0.734 25899 891 1 3 . 1 1 902 902 GLN N N 902 121.000 121.000 118.603 2.397 25899 892 1 3 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.957 0.136 25899 893 1 3 . 1 1 902 902 GLN C C 902 179.100 179.100 178.742 0.358 25899 894 1 3 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.237 0.183 25899 895 1 3 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.404 -0.604 25899 896 1 3 . 1 1 902 902 GLN H H 902 9.079 9.079 8.245 0.834 25899 897 1 3 . 1 1 903 903 ARG N N 903 119.900 119.900 118.938 0.962 25899 898 1 3 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.133 0.067 25899 899 1 3 . 1 1 903 903 ARG C C 903 179.800 179.800 178.858 0.942 25899 900 1 3 . 1 1 903 903 ARG CA C 903 59.440 59.440 58.706 0.734 25899 901 1 3 . 1 1 903 903 ARG CB C 903 30.280 30.280 29.956 0.324 25899 902 1 3 . 1 1 903 903 ARG H H 903 8.107 8.107 8.279 -0.172 25899 903 1 3 . 1 1 904 904 MET N N 904 119.500 119.500 118.905 0.595 25899 904 1 3 . 1 1 904 904 MET HA H 904 4.218 4.218 4.126 0.092 25899 905 1 3 . 1 1 904 904 MET C C 904 177.800 177.800 178.147 -0.347 25899 906 1 3 . 1 1 904 904 MET CA C 904 58.590 58.590 59.498 -0.908 25899 907 1 3 . 1 1 904 904 MET CB C 904 32.280 32.280 32.427 -0.147 25899 908 1 3 . 1 1 904 904 MET H H 904 8.005 8.005 7.937 0.068 25899 909 1 3 . 1 1 905 905 LYS N N 905 121.900 121.900 120.378 1.522 25899 910 1 3 . 1 1 905 905 LYS HA H 905 4.369 4.369 3.934 0.435 25899 911 1 3 . 1 1 905 905 LYS C C 905 179.300 179.300 178.729 0.571 25899 912 1 3 . 1 1 905 905 LYS CA C 905 59.290 59.290 60.002 -0.712 25899 913 1 3 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.224 0.196 25899 914 1 3 . 1 1 905 905 LYS H H 905 8.465 8.465 8.230 0.235 25899 915 1 3 . 1 1 906 906 GLU N N 906 119.200 119.200 119.114 0.086 25899 916 1 3 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.048 0.104 25899 917 1 3 . 1 1 906 906 GLU C C 906 179.400 179.400 179.410 -0.010 25899 918 1 3 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.481 -0.121 25899 919 1 3 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.587 0.033 25899 920 1 3 . 1 1 906 906 GLU H H 906 8.013 8.013 8.230 -0.217 25899 921 1 3 . 1 1 907 907 ARG N N 907 120.000 120.000 119.514 0.486 25899 922 1 3 . 1 1 907 907 ARG HA H 907 4.161 4.161 4.021 0.140 25899 923 1 3 . 1 1 907 907 ARG C C 907 179.800 179.800 179.145 0.655 25899 924 1 3 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.537 -0.067 25899 925 1 3 . 1 1 907 907 ARG CB C 907 30.060 30.060 30.139 -0.079 25899 926 1 3 . 1 1 907 907 ARG H H 907 7.946 7.946 8.328 -0.382 25899 927 1 3 . 1 1 908 908 GLN N N 908 119.300 119.300 118.689 0.611 25899 928 1 3 . 1 1 908 908 GLN HA H 908 4.269 4.269 4.067 0.202 25899 929 1 3 . 1 1 908 908 GLN C C 908 178.400 178.400 178.697 -0.297 25899 930 1 3 . 1 1 908 908 GLN CA C 908 59.410 59.410 58.840 0.570 25899 931 1 3 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.274 1.186 25899 932 1 3 . 1 1 908 908 GLN H H 908 8.639 8.639 8.442 0.197 25899 933 1 3 . 1 1 909 909 GLU N N 909 120.300 120.300 120.544 -0.244 25899 934 1 3 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.078 -0.058 25899 935 1 3 . 1 1 909 909 GLU C C 909 179.700 179.700 179.393 0.307 25899 936 1 3 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.287 0.623 25899 937 1 3 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.536 -0.146 25899 938 1 3 . 1 1 909 909 GLU H H 909 8.346 8.346 7.990 0.356 25899 939 1 3 . 1 1 910 910 LEU N N 910 121.100 121.100 120.380 0.720 25899 940 1 3 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.018 0.213 25899 941 1 3 . 1 1 910 910 LEU C C 910 180.100 180.100 178.823 1.277 25899 942 1 3 . 1 1 910 910 LEU CA C 910 58.370 58.370 58.003 0.367 25899 943 1 3 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.837 -0.347 25899 944 1 3 . 1 1 910 910 LEU H H 910 7.825 7.825 8.148 -0.323 25899 945 1 3 . 1 1 911 911 SER N N 911 116.500 116.500 115.564 0.936 25899 946 1 3 . 1 1 911 911 SER HA H 911 4.322 4.322 4.151 0.171 25899 947 1 3 . 1 1 911 911 SER C C 911 177.300 177.300 176.882 0.418 25899 948 1 3 . 1 1 911 911 SER CA C 911 62.340 62.340 61.968 0.372 25899 949 1 3 . 1 1 911 911 SER CB C 911 62.990 62.990 63.096 -0.106 25899 950 1 3 . 1 1 911 911 SER H H 911 8.142 8.142 8.193 -0.051 25899 951 1 3 . 1 1 912 912 LEU N N 912 125.300 125.300 122.522 2.778 25899 952 1 3 . 1 1 912 912 LEU HA H 912 4.213 4.213 4.012 0.201 25899 953 1 3 . 1 1 912 912 LEU C C 912 179.500 179.500 179.102 0.398 25899 954 1 3 . 1 1 912 912 LEU CA C 912 58.390 58.390 57.913 0.476 25899 955 1 3 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.895 -0.275 25899 956 1 3 . 1 1 912 912 LEU H H 912 8.651 8.651 8.165 0.486 25899 957 1 3 . 1 1 913 913 THR N N 913 120.000 120.000 116.093 3.907 25899 958 1 3 . 1 1 913 913 THR HA H 913 3.983 3.983 3.923 0.060 25899 959 1 3 . 1 1 913 913 THR C C 913 176.800 176.800 177.098 -0.298 25899 960 1 3 . 1 1 913 913 THR CA C 913 67.130 67.130 67.356 -0.227 25899 961 1 3 . 1 1 913 913 THR CB C 913 68.680 68.680 68.398 0.282 25899 962 1 3 . 1 1 913 913 THR H H 913 8.419 8.419 7.934 0.485 25899 963 1 3 . 1 1 914 914 GLU N N 914 122.200 122.200 121.363 0.837 25899 964 1 3 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.065 -0.007 25899 965 1 3 . 1 1 914 914 GLU C C 914 178.800 178.800 178.845 -0.045 25899 966 1 3 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.268 0.552 25899 967 1 3 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.462 0.138 25899 968 1 3 . 1 1 914 914 GLU H H 914 8.189 8.189 7.919 0.270 25899 969 1 3 . 1 1 915 915 ALA N N 915 1.501 1.501 122.707 -121.206 25899 970 1 3 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.364 -0.147 25899 971 1 3 . 1 1 915 915 ALA C C 915 180.700 180.700 179.656 1.044 25899 972 1 3 . 1 1 915 915 ALA CA C 915 55.200 55.200 54.694 0.506 25899 973 1 3 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.546 -0.646 25899 974 1 3 . 1 1 915 915 ALA H H 915 8.315 8.315 8.544 -0.229 25899 975 1 3 . 1 1 916 916 SER N N 916 115.000 115.000 114.802 0.198 25899 976 1 3 . 1 1 916 916 SER HA H 916 4.233 4.233 4.203 0.030 25899 977 1 3 . 1 1 916 916 SER C C 916 176.700 176.700 176.637 0.063 25899 978 1 3 . 1 1 916 916 SER CA C 916 62.080 62.080 61.263 0.817 25899 979 1 3 . 1 1 916 916 SER CB C 916 62.710 62.710 62.883 -0.173 25899 980 1 3 . 1 1 916 916 SER H H 916 8.238 8.238 8.289 -0.051 25899 981 1 3 . 1 1 917 917 LEU N N 917 123.500 123.500 121.965 1.535 25899 982 1 3 . 1 1 917 917 LEU HA H 917 4.113 4.113 3.902 0.211 25899 983 1 3 . 1 1 917 917 LEU C C 917 180.000 180.000 178.805 1.195 25899 984 1 3 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.918 0.262 25899 985 1 3 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.667 -0.027 25899 986 1 3 . 1 1 917 917 LEU H H 917 7.880 7.880 7.733 0.147 25899 987 1 3 . 1 1 918 918 GLN N N 918 119.000 119.000 118.270 0.730 25899 988 1 3 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.949 0.151 25899 989 1 3 . 1 1 918 918 GLN C C 918 178.900 178.900 178.667 0.233 25899 990 1 3 . 1 1 918 918 GLN CA C 918 58.910 58.910 59.051 -0.141 25899 991 1 3 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.423 -0.133 25899 992 1 3 . 1 1 918 918 GLN H H 918 8.201 8.201 7.789 0.412 25899 993 1 3 . 1 1 919 919 LYS N N 919 120.300 120.300 119.863 0.437 25899 994 1 3 . 1 1 919 919 LYS HA H 919 3.883 3.883 4.064 -0.181 25899 995 1 3 . 1 1 919 919 LYS C C 919 177.600 177.600 179.162 -1.562 25899 996 1 3 . 1 1 919 919 LYS CA C 919 60.600 60.600 58.476 2.124 25899 997 1 3 . 1 1 919 919 LYS CB C 919 32.380 32.380 31.935 0.445 25899 998 1 3 . 1 1 919 919 LYS H H 919 8.191 8.191 7.657 0.534 25899 999 1 3 . 1 1 920 920 LEU N N 920 119.100 119.100 120.237 -1.137 25899 1000 1 3 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.975 0.208 25899 1001 1 3 . 1 1 920 920 LEU C C 920 179.500 179.500 178.907 0.593 25899 1002 1 3 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.660 -0.390 25899 1003 1 3 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.483 0.367 25899 1004 1 3 . 1 1 920 920 LEU H H 920 7.738 7.738 7.941 -0.203 25899 1005 1 3 . 1 1 921 921 GLN N N 921 117.500 117.500 118.087 -0.587 25899 1006 1 3 . 1 1 921 921 GLN HA H 921 4.170 4.170 4.036 0.134 25899 1007 1 3 . 1 1 921 921 GLN C C 921 180.000 180.000 179.031 0.969 25899 1008 1 3 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.374 0.726 25899 1009 1 3 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.344 0.126 25899 1010 1 3 . 1 1 921 921 GLN H H 921 7.828 7.828 7.725 0.103 25899 1011 1 3 . 1 1 922 922 LEU N N 922 121.500 121.500 120.205 1.295 25899 1012 1 3 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.928 0.036 25899 1013 1 3 . 1 1 922 922 LEU C C 922 178.700 178.700 178.888 -0.188 25899 1014 1 3 . 1 1 922 922 LEU CA C 922 58.160 58.160 57.941 0.219 25899 1015 1 3 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.503 2.087 25899 1016 1 3 . 1 1 922 922 LEU H H 922 8.078 8.078 7.839 0.239 25899 1017 1 3 . 1 1 923 923 GLU N N 923 120.400 120.400 119.817 0.583 25899 1018 1 3 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.901 -0.005 25899 1019 1 3 . 1 1 923 923 GLU C C 923 180.100 180.100 179.139 0.961 25899 1020 1 3 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.818 0.622 25899 1021 1 3 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.190 0.080 25899 1022 1 3 . 1 1 923 923 GLU H H 923 8.738 8.738 8.035 0.703 25899 1023 1 3 . 1 1 924 924 ASP N N 924 120.100 120.100 119.902 0.198 25899 1024 1 3 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.399 0.071 25899 1025 1 3 . 1 1 924 924 ASP C C 924 178.800 178.800 178.519 0.281 25899 1026 1 3 . 1 1 924 924 ASP CA C 924 57.490 57.490 57.142 0.348 25899 1027 1 3 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.244 0.246 25899 1028 1 3 . 1 1 924 924 ASP H H 924 8.102 8.102 7.859 0.243 25899 1029 1 3 . 1 1 925 925 LYS N N 925 122.500 122.500 121.462 1.038 25899 1030 1 3 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.030 0.190 25899 1031 1 3 . 1 1 925 925 LYS C C 925 178.700 178.700 178.906 -0.206 25899 1032 1 3 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.372 -0.752 25899 1033 1 3 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.590 -1.040 25899 1034 1 3 . 1 1 925 925 LYS H H 925 7.825 7.825 7.538 0.287 25899 1035 1 3 . 1 1 926 926 VAL N N 926 120.000 120.000 119.344 0.656 25899 1036 1 3 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.646 -0.210 25899 1037 1 3 . 1 1 926 926 VAL C C 926 177.300 177.300 177.830 -0.530 25899 1038 1 3 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.763 1.057 25899 1039 1 3 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.151 0.549 25899 1040 1 3 . 1 1 926 926 VAL H H 926 8.578 8.578 8.438 0.140 25899 1041 1 3 . 1 1 927 927 GLU N N 927 118.000 118.000 120.729 -2.729 25899 1042 1 3 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.918 0.193 25899 1043 1 3 . 1 1 927 927 GLU C C 927 179.600 179.600 178.834 0.766 25899 1044 1 3 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.286 -0.346 25899 1045 1 3 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.482 -0.212 25899 1046 1 3 . 1 1 927 927 GLU H H 927 7.848 7.848 8.713 -0.865 25899 1047 1 3 . 1 1 928 928 GLU N N 928 120.900 120.900 119.392 1.508 25899 1048 1 3 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.062 0.050 25899 1049 1 3 . 1 1 928 928 GLU C C 928 179.700 179.700 179.199 0.501 25899 1050 1 3 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.108 0.383 25899 1051 1 3 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.708 0.112 25899 1052 1 3 . 1 1 928 928 GLU H H 928 8.139 8.139 8.025 0.114 25899 1053 1 3 . 1 1 929 929 LEU N N 929 120.600 120.600 121.669 -1.069 25899 1054 1 3 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.092 -0.067 25899 1055 1 3 . 1 1 929 929 LEU C C 929 179.600 179.600 178.451 1.149 25899 1056 1 3 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.880 0.180 25899 1057 1 3 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.871 1.489 25899 1058 1 3 . 1 1 929 929 LEU H H 929 8.557 8.557 8.175 0.382 25899 1059 1 3 . 1 1 930 930 LEU N N 930 122.000 122.000 119.694 2.306 25899 1060 1 3 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.886 0.181 25899 1061 1 3 . 1 1 930 930 LEU C C 930 180.000 180.000 178.541 1.459 25899 1062 1 3 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.555 -0.265 25899 1063 1 3 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.651 0.439 25899 1064 1 3 . 1 1 930 930 LEU H H 930 9.107 9.107 8.662 0.445 25899 1065 1 3 . 1 1 931 931 SER N N 931 114.800 114.800 115.480 -0.680 25899 1066 1 3 . 1 1 931 931 SER HA H 931 4.346 4.346 4.119 0.227 25899 1067 1 3 . 1 1 931 931 SER C C 931 177.700 177.700 176.874 0.826 25899 1068 1 3 . 1 1 931 931 SER CA C 931 61.790 61.790 62.235 -0.445 25899 1069 1 3 . 1 1 931 931 SER CB C 931 62.830 62.830 63.030 -0.200 25899 1070 1 3 . 1 1 931 931 SER H H 931 7.883 7.883 8.028 -0.145 25899 1071 1 3 . 1 1 932 932 LYS N N 932 122.200 122.200 121.370 0.830 25899 1072 1 3 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.009 0.211 25899 1073 1 3 . 1 1 932 932 LYS C C 932 178.800 178.800 178.568 0.232 25899 1074 1 3 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.959 -0.179 25899 1075 1 3 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.220 0.560 25899 1076 1 3 . 1 1 932 932 LYS H H 932 8.202 8.202 8.238 -0.036 25899 1077 1 3 . 1 1 933 933 ASN N N 933 119.500 119.500 118.576 0.924 25899 1078 1 3 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.468 -0.067 25899 1079 1 3 . 1 1 933 933 ASN C C 933 176.800 176.800 177.317 -0.517 25899 1080 1 3 . 1 1 933 933 ASN CA C 933 57.330 57.330 56.277 1.053 25899 1081 1 3 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.549 0.461 25899 1082 1 3 . 1 1 933 933 ASN H H 933 8.777 8.777 8.264 0.513 25899 1083 1 3 . 1 1 934 934 TYR N N 934 120.300 120.300 122.170 -1.870 25899 1084 1 3 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.218 0.154 25899 1085 1 3 . 1 1 934 934 TYR C C 934 178.200 178.200 177.862 0.338 25899 1086 1 3 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.632 -0.792 25899 1087 1 3 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.467 -0.537 25899 1088 1 3 . 1 1 934 934 TYR H H 934 8.236 8.236 8.215 0.021 25899 1089 1 3 . 1 1 935 935 HIS N N 935 118.000 118.000 119.077 -1.077 25899 1090 1 3 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.118 0.235 25899 1091 1 3 . 1 1 935 935 HIS C C 935 178.600 178.600 177.443 1.157 25899 1092 1 3 . 1 1 935 935 HIS CA C 935 59.910 59.910 60.499 -0.589 25899 1093 1 3 . 1 1 935 935 HIS CB C 935 29.790 29.790 30.362 -0.572 25899 1094 1 3 . 1 1 935 935 HIS H H 935 7.817 7.817 8.027 -0.210 25899 1095 1 3 . 1 1 936 936 LEU N N 936 120.500 120.500 119.401 1.099 25899 1096 1 3 . 1 1 936 936 LEU HA H 936 4.123 4.123 3.942 0.181 25899 1097 1 3 . 1 1 936 936 LEU C C 936 178.900 178.900 178.413 0.487 25899 1098 1 3 . 1 1 936 936 LEU CA C 936 58.220 58.220 57.684 0.536 25899 1099 1 3 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.870 1.770 25899 1100 1 3 . 1 1 936 936 LEU H H 936 8.522 8.522 8.543 -0.021 25899 1101 1 3 . 1 1 937 937 GLU N N 937 119.600 119.600 120.271 -0.671 25899 1102 1 3 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.791 0.120 25899 1103 1 3 . 1 1 937 937 GLU C C 937 180.300 180.300 178.895 1.405 25899 1104 1 3 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.893 0.387 25899 1105 1 3 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.311 -0.041 25899 1106 1 3 . 1 1 937 937 GLU H H 937 8.856 8.856 8.572 0.284 25899 1107 1 3 . 1 1 938 938 ASN N N 938 118.900 118.900 117.778 1.122 25899 1108 1 3 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.320 0.114 25899 1109 1 3 . 1 1 938 938 ASN C C 938 177.900 177.900 177.816 0.084 25899 1110 1 3 . 1 1 938 938 ASN CA C 938 56.100 56.100 55.769 0.331 25899 1111 1 3 . 1 1 938 938 ASN CB C 938 38.010 38.010 37.849 0.161 25899 1112 1 3 . 1 1 938 938 ASN H H 938 7.735 7.735 7.697 0.038 25899 1113 1 3 . 1 1 939 939 GLU N N 939 123.800 123.800 119.823 3.977 25899 1114 1 3 . 1 1 939 939 GLU HA H 939 4.442 4.442 3.933 0.509 25899 1115 1 3 . 1 1 939 939 GLU C C 939 178.400 178.400 179.023 -0.623 25899 1116 1 3 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.340 -0.630 25899 1117 1 3 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.476 0.654 25899 1118 1 3 . 1 1 939 939 GLU H H 939 8.098 8.098 7.559 0.539 25899 1119 1 3 . 1 1 940 940 VAL N N 940 120.000 120.000 117.497 2.503 25899 1120 1 3 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.770 -0.370 25899 1121 1 3 . 1 1 940 940 VAL C C 940 177.400 177.400 177.727 -0.327 25899 1122 1 3 . 1 1 940 940 VAL CA C 940 67.720 67.720 65.940 1.780 25899 1123 1 3 . 1 1 940 940 VAL CB C 940 31.630 31.630 30.665 0.965 25899 1124 1 3 . 1 1 940 940 VAL H H 940 8.669 8.669 8.392 0.277 25899 1125 1 3 . 1 1 941 941 ALA N N 941 119.800 119.800 122.711 -2.911 25899 1126 1 3 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.958 0.056 25899 1127 1 3 . 1 1 941 941 ALA C C 941 180.500 180.500 179.397 1.103 25899 1128 1 3 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.202 0.198 25899 1129 1 3 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.027 0.003 25899 1130 1 3 . 1 1 941 941 ALA H H 941 7.725 7.725 8.245 -0.520 25899 1131 1 3 . 1 1 942 942 ARG N N 942 119.400 119.400 119.158 0.242 25899 1132 1 3 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.024 -0.059 25899 1133 1 3 . 1 1 942 942 ARG C C 942 179.300 179.300 178.774 0.526 25899 1134 1 3 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.160 0.360 25899 1135 1 3 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.201 0.539 25899 1136 1 3 . 1 1 942 942 ARG H H 942 7.904 7.904 7.924 -0.020 25899 1137 1 3 . 1 1 943 943 LEU N N 943 120.100 120.100 119.553 0.547 25899 1138 1 3 . 1 1 943 943 LEU HA H 943 3.972 3.972 3.991 -0.019 25899 1139 1 3 . 1 1 943 943 LEU C C 943 179.300 179.300 178.810 0.490 25899 1140 1 3 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.375 0.705 25899 1141 1 3 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.745 2.195 25899 1142 1 3 . 1 1 943 943 LEU H H 943 8.417 8.417 7.776 0.641 25899 1143 1 3 . 1 1 944 944 LYS N N 944 118.700 118.700 119.560 -0.860 25899 1144 1 3 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.913 -0.089 25899 1145 1 3 . 1 1 944 944 LYS C C 944 179.500 179.500 178.772 0.728 25899 1146 1 3 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.364 1.436 25899 1147 1 3 . 1 1 944 944 LYS CB C 944 32.460 32.460 31.880 0.580 25899 1148 1 3 . 1 1 944 944 LYS H H 944 8.955 8.955 8.341 0.614 25899 1149 1 3 . 1 1 945 945 LYS N N 945 117.000 117.000 119.070 -2.070 25899 1150 1 3 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.073 0.091 25899 1151 1 3 . 1 1 945 945 LYS C C 945 179.000 179.000 179.214 -0.214 25899 1152 1 3 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.198 -0.528 25899 1153 1 3 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.288 -0.017 25899 1154 1 3 . 1 1 945 945 LYS H H 945 7.291 7.291 7.558 -0.267 25899 1155 1 3 . 1 1 946 946 LEU N N 946 118.700 118.700 119.399 -0.699 25899 1156 1 3 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.016 0.187 25899 1157 1 3 . 1 1 946 946 LEU C C 946 179.000 179.000 178.588 0.412 25899 1158 1 3 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.230 -0.110 25899 1159 1 3 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.725 0.955 25899 1160 1 3 . 1 1 946 946 LEU H H 946 7.441 7.441 7.564 -0.123 25899 1161 1 3 . 1 1 947 947 VAL N N 947 113.800 113.800 116.403 -2.603 25899 1162 1 3 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.927 0.221 25899 1163 1 3 . 1 1 947 947 VAL C C 947 176.600 176.600 176.902 -0.302 25899 1164 1 3 . 1 1 947 947 VAL CA C 947 62.750 62.750 63.772 -1.022 25899 1165 1 3 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.243 0.377 25899 1166 1 3 . 1 1 947 947 VAL H H 947 7.677 7.677 7.412 0.265 25899 1167 1 3 . 1 1 948 948 GLY N N 948 109.600 109.600 106.494 3.106 25899 1168 1 3 . 1 1 948 948 GLY C C 948 174.200 174.200 173.663 0.537 25899 1169 1 3 . 1 1 948 948 GLY CA C 948 46.020 46.020 44.838 1.182 25899 1170 1 3 . 1 1 948 948 GLY H H 948 7.853 7.853 8.223 -0.370 25899 1171 1 4 . 1 1 883 883 HIS C C 883 175.500 175.500 177.313 -1.813 25899 1172 1 4 . 1 1 883 883 HIS CA C 883 56.720 56.720 57.695 -0.975 25899 1173 1 4 . 1 1 883 883 HIS CB C 883 30.040 30.040 28.913 1.127 25899 1174 1 4 . 1 1 884 884 GLU N N 884 121.300 121.300 120.218 1.082 25899 1175 1 4 . 1 1 884 884 GLU HA H 884 4.223 4.223 3.845 0.378 25899 1176 1 4 . 1 1 884 884 GLU C C 884 176.600 176.600 177.497 -0.897 25899 1177 1 4 . 1 1 884 884 GLU CA C 884 57.510 57.510 58.662 -1.152 25899 1178 1 4 . 1 1 884 884 GLU CB C 884 30.050 30.050 28.968 1.082 25899 1179 1 4 . 1 1 884 884 GLU H H 884 8.428 8.428 8.221 0.207 25899 1180 1 4 . 1 1 885 885 ASN N N 885 119.500 119.500 118.121 1.379 25899 1181 1 4 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.398 0.292 25899 1182 1 4 . 1 1 885 885 ASN C C 885 175.900 175.900 177.497 -1.597 25899 1183 1 4 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.826 -2.066 25899 1184 1 4 . 1 1 885 885 ASN CB C 885 38.730 38.730 37.995 0.735 25899 1185 1 4 . 1 1 885 885 ASN H H 885 8.474 8.474 7.698 0.776 25899 1186 1 4 . 1 1 886 886 LYS N N 886 121.700 121.700 120.177 1.523 25899 1187 1 4 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.021 0.209 25899 1188 1 4 . 1 1 886 886 LYS C C 886 177.700 177.700 179.143 -1.443 25899 1189 1 4 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.684 -1.944 25899 1190 1 4 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.208 0.352 25899 1191 1 4 . 1 1 886 886 LYS H H 886 8.311 8.311 7.659 0.652 25899 1192 1 4 . 1 1 887 887 GLN N N 887 119.600 119.600 119.670 -0.070 25899 1193 1 4 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.087 0.152 25899 1194 1 4 . 1 1 887 887 GLN C C 887 177.200 177.200 178.337 -1.137 25899 1195 1 4 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.604 -0.374 25899 1196 1 4 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.211 0.699 25899 1197 1 4 . 1 1 887 887 GLN H H 887 8.247 8.247 7.695 0.552 25899 1198 1 4 . 1 1 888 888 VAL N N 888 119.100 119.100 118.967 0.133 25899 1199 1 4 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.588 0.194 25899 1200 1 4 . 1 1 888 888 VAL C C 888 177.600 177.600 178.259 -0.659 25899 1201 1 4 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.536 -1.216 25899 1202 1 4 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.088 0.902 25899 1203 1 4 . 1 1 888 888 VAL H H 888 7.843 7.843 7.953 -0.110 25899 1204 1 4 . 1 1 889 889 GLU N N 889 120.400 120.400 119.263 1.137 25899 1205 1 4 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.986 -0.008 25899 1206 1 4 . 1 1 889 889 GLU C C 889 178.900 178.900 178.880 0.020 25899 1207 1 4 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.651 -0.011 25899 1208 1 4 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.280 0.190 25899 1209 1 4 . 1 1 889 889 GLU H H 889 8.090 8.090 8.657 -0.567 25899 1210 1 4 . 1 1 890 890 GLU N N 890 120.700 120.700 120.610 0.090 25899 1211 1 4 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.062 0.202 25899 1212 1 4 . 1 1 890 890 GLU C C 890 178.200 178.200 179.057 -0.857 25899 1213 1 4 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.364 -0.244 25899 1214 1 4 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.603 0.067 25899 1215 1 4 . 1 1 890 890 GLU H H 890 8.133 8.133 8.011 0.122 25899 1216 1 4 . 1 1 891 891 ILE N N 891 119.400 119.400 120.755 -1.355 25899 1217 1 4 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.743 -0.192 25899 1218 1 4 . 1 1 891 891 ILE C C 891 177.400 177.400 177.924 -0.524 25899 1219 1 4 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.643 1.177 25899 1220 1 4 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.812 0.089 25899 1221 1 4 . 1 1 891 891 ILE H H 891 7.799 7.799 8.053 -0.254 25899 1222 1 4 . 1 1 892 892 LEU N N 892 118.400 118.400 120.038 -1.638 25899 1223 1 4 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.883 0.225 25899 1224 1 4 . 1 1 892 892 LEU C C 892 180.100 180.100 179.283 0.817 25899 1225 1 4 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.241 -0.171 25899 1226 1 4 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.194 0.495 25899 1227 1 4 . 1 1 892 892 LEU H H 892 7.814 7.814 7.829 -0.015 25899 1228 1 4 . 1 1 893 893 ARG N N 893 119.900 119.900 118.959 0.941 25899 1229 1 4 . 1 1 893 893 ARG HA H 893 4.029 4.029 4.021 0.008 25899 1230 1 4 . 1 1 893 893 ARG C C 893 179.500 179.500 178.904 0.596 25899 1231 1 4 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.553 0.237 25899 1232 1 4 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.033 0.107 25899 1233 1 4 . 1 1 893 893 ARG H H 893 7.918 7.918 7.661 0.257 25899 1234 1 4 . 1 1 894 894 LEU N N 894 121.300 121.300 120.481 0.819 25899 1235 1 4 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.008 0.067 25899 1236 1 4 . 1 1 894 894 LEU C C 894 179.200 179.200 179.137 0.063 25899 1237 1 4 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.994 0.136 25899 1238 1 4 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.558 0.952 25899 1239 1 4 . 1 1 894 894 LEU H H 894 8.236 8.236 7.944 0.292 25899 1240 1 4 . 1 1 895 895 GLU N N 895 118.200 118.200 119.689 -1.489 25899 1241 1 4 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.982 -0.020 25899 1242 1 4 . 1 1 895 895 GLU C C 895 180.100 180.100 179.367 0.733 25899 1243 1 4 . 1 1 895 895 GLU CA C 895 60.270 60.270 59.904 0.366 25899 1244 1 4 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.301 0.199 25899 1245 1 4 . 1 1 895 895 GLU H H 895 8.780 8.780 8.352 0.428 25899 1246 1 4 . 1 1 896 896 LYS N N 896 120.600 120.600 119.299 1.301 25899 1247 1 4 . 1 1 896 896 LYS C C 896 178.300 178.300 178.926 -0.626 25899 1248 1 4 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.601 -0.621 25899 1249 1 4 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.644 -0.804 25899 1250 1 4 . 1 1 896 896 LYS H H 896 7.884 7.884 7.944 -0.060 25899 1251 1 4 . 1 1 897 897 GLU N N 897 121.100 121.100 120.583 0.517 25899 1252 1 4 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.078 0.077 25899 1253 1 4 . 1 1 897 897 GLU C C 897 179.800 179.800 178.938 0.862 25899 1254 1 4 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.198 0.672 25899 1255 1 4 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.911 -0.681 25899 1256 1 4 . 1 1 897 897 GLU H H 897 7.913 7.913 8.339 -0.426 25899 1257 1 4 . 1 1 898 898 ILE N N 898 120.000 120.000 120.686 -0.686 25899 1258 1 4 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.723 -0.188 25899 1259 1 4 . 1 1 898 898 ILE C C 898 177.300 177.300 177.096 0.204 25899 1260 1 4 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.055 2.246 25899 1261 1 4 . 1 1 898 898 ILE CB C 898 38.130 38.130 38.160 -0.030 25899 1262 1 4 . 1 1 898 898 ILE H H 898 8.274 8.274 8.474 -0.200 25899 1263 1 4 . 1 1 899 899 GLU N N 899 120.400 120.400 120.280 0.120 25899 1264 1 4 . 1 1 899 899 GLU HA H 899 4.024 4.024 3.904 0.120 25899 1265 1 4 . 1 1 899 899 GLU C C 899 179.400 179.400 178.490 0.910 25899 1266 1 4 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.672 0.218 25899 1267 1 4 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.293 0.237 25899 1268 1 4 . 1 1 899 899 GLU H H 899 7.891 7.891 7.953 -0.062 25899 1269 1 4 . 1 1 900 900 ASP N N 900 119.600 119.600 120.353 -0.753 25899 1270 1 4 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.393 0.071 25899 1271 1 4 . 1 1 900 900 ASP C C 900 179.800 179.800 178.991 0.809 25899 1272 1 4 . 1 1 900 900 ASP CA C 900 57.710 57.710 57.190 0.520 25899 1273 1 4 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.441 0.119 25899 1274 1 4 . 1 1 900 900 ASP H H 900 8.231 8.231 7.766 0.465 25899 1275 1 4 . 1 1 901 901 LEU N N 901 122.200 122.200 120.416 1.784 25899 1276 1 4 . 1 1 901 901 LEU HA H 901 4.122 4.122 3.897 0.225 25899 1277 1 4 . 1 1 901 901 LEU C C 901 179.900 179.900 179.011 0.889 25899 1278 1 4 . 1 1 901 901 LEU CA C 901 58.370 58.370 58.009 0.361 25899 1279 1 4 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.727 2.023 25899 1280 1 4 . 1 1 901 901 LEU H H 901 8.470 8.470 7.828 0.642 25899 1281 1 4 . 1 1 902 902 GLN N N 902 121.000 121.000 117.903 3.097 25899 1282 1 4 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.919 0.174 25899 1283 1 4 . 1 1 902 902 GLN C C 902 179.100 179.100 178.782 0.318 25899 1284 1 4 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.527 -0.107 25899 1285 1 4 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.517 -0.717 25899 1286 1 4 . 1 1 902 902 GLN H H 902 9.079 9.079 8.371 0.708 25899 1287 1 4 . 1 1 903 903 ARG N N 903 119.900 119.900 119.100 0.800 25899 1288 1 4 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.145 0.055 25899 1289 1 4 . 1 1 903 903 ARG C C 903 179.800 179.800 178.987 0.813 25899 1290 1 4 . 1 1 903 903 ARG CA C 903 59.440 59.440 59.266 0.174 25899 1291 1 4 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.265 0.015 25899 1292 1 4 . 1 1 903 903 ARG H H 903 8.107 8.107 7.781 0.326 25899 1293 1 4 . 1 1 904 904 MET N N 904 119.500 119.500 119.162 0.338 25899 1294 1 4 . 1 1 904 904 MET HA H 904 4.218 4.218 4.157 0.061 25899 1295 1 4 . 1 1 904 904 MET C C 904 177.800 177.800 178.409 -0.609 25899 1296 1 4 . 1 1 904 904 MET CA C 904 58.590 58.590 58.173 0.417 25899 1297 1 4 . 1 1 904 904 MET CB C 904 32.280 32.280 31.872 0.408 25899 1298 1 4 . 1 1 904 904 MET H H 904 8.005 8.005 8.264 -0.259 25899 1299 1 4 . 1 1 905 905 LYS N N 905 121.900 121.900 118.999 2.901 25899 1300 1 4 . 1 1 905 905 LYS HA H 905 4.369 4.369 4.290 0.079 25899 1301 1 4 . 1 1 905 905 LYS C C 905 179.300 179.300 178.933 0.367 25899 1302 1 4 . 1 1 905 905 LYS CA C 905 59.290 59.290 59.366 -0.076 25899 1303 1 4 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.010 0.410 25899 1304 1 4 . 1 1 905 905 LYS H H 905 8.465 8.465 8.145 0.320 25899 1305 1 4 . 1 1 906 906 GLU N N 906 119.200 119.200 120.251 -1.051 25899 1306 1 4 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.307 -0.155 25899 1307 1 4 . 1 1 906 906 GLU C C 906 179.400 179.400 179.494 -0.094 25899 1308 1 4 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.194 0.166 25899 1309 1 4 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.534 0.086 25899 1310 1 4 . 1 1 906 906 GLU H H 906 8.013 8.013 7.943 0.070 25899 1311 1 4 . 1 1 907 907 ARG N N 907 120.000 120.000 119.408 0.592 25899 1312 1 4 . 1 1 907 907 ARG HA H 907 4.161 4.161 4.042 0.119 25899 1313 1 4 . 1 1 907 907 ARG C C 907 179.800 179.800 178.928 0.872 25899 1314 1 4 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.511 -0.041 25899 1315 1 4 . 1 1 907 907 ARG CB C 907 30.060 30.060 30.196 -0.136 25899 1316 1 4 . 1 1 907 907 ARG H H 907 7.946 7.946 8.493 -0.547 25899 1317 1 4 . 1 1 908 908 GLN N N 908 119.300 119.300 118.898 0.402 25899 1318 1 4 . 1 1 908 908 GLN HA H 908 4.269 4.269 3.933 0.336 25899 1319 1 4 . 1 1 908 908 GLN C C 908 178.400 178.400 178.238 0.162 25899 1320 1 4 . 1 1 908 908 GLN CA C 908 59.410 59.410 59.608 -0.198 25899 1321 1 4 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.745 0.715 25899 1322 1 4 . 1 1 908 908 GLN H H 908 8.639 8.639 8.049 0.590 25899 1323 1 4 . 1 1 909 909 GLU N N 909 120.300 120.300 119.911 0.389 25899 1324 1 4 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.066 -0.046 25899 1325 1 4 . 1 1 909 909 GLU C C 909 179.700 179.700 178.998 0.702 25899 1326 1 4 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.092 0.818 25899 1327 1 4 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.173 0.217 25899 1328 1 4 . 1 1 909 909 GLU H H 909 8.346 8.346 8.029 0.317 25899 1329 1 4 . 1 1 910 910 LEU N N 910 121.100 121.100 121.687 -0.587 25899 1330 1 4 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.006 0.225 25899 1331 1 4 . 1 1 910 910 LEU C C 910 180.100 180.100 179.274 0.826 25899 1332 1 4 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.952 0.418 25899 1333 1 4 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.851 -0.361 25899 1334 1 4 . 1 1 910 910 LEU H H 910 7.825 7.825 7.988 -0.163 25899 1335 1 4 . 1 1 911 911 SER N N 911 116.500 116.500 114.938 1.562 25899 1336 1 4 . 1 1 911 911 SER HA H 911 4.322 4.322 4.216 0.106 25899 1337 1 4 . 1 1 911 911 SER C C 911 177.300 177.300 176.990 0.310 25899 1338 1 4 . 1 1 911 911 SER CA C 911 62.340 62.340 61.505 0.835 25899 1339 1 4 . 1 1 911 911 SER CB C 911 62.990 62.990 62.890 0.100 25899 1340 1 4 . 1 1 911 911 SER H H 911 8.142 8.142 8.082 0.060 25899 1341 1 4 . 1 1 912 912 LEU N N 912 125.300 125.300 122.189 3.111 25899 1342 1 4 . 1 1 912 912 LEU HA H 912 4.213 4.213 4.008 0.205 25899 1343 1 4 . 1 1 912 912 LEU C C 912 179.500 179.500 178.917 0.583 25899 1344 1 4 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.042 0.348 25899 1345 1 4 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.837 -0.217 25899 1346 1 4 . 1 1 912 912 LEU H H 912 8.651 8.651 8.077 0.574 25899 1347 1 4 . 1 1 913 913 THR N N 913 120.000 120.000 116.021 3.979 25899 1348 1 4 . 1 1 913 913 THR HA H 913 3.983 3.983 3.903 0.080 25899 1349 1 4 . 1 1 913 913 THR C C 913 176.800 176.800 177.048 -0.248 25899 1350 1 4 . 1 1 913 913 THR CA C 913 67.130 67.130 67.384 -0.254 25899 1351 1 4 . 1 1 913 913 THR CB C 913 68.680 68.680 68.353 0.327 25899 1352 1 4 . 1 1 913 913 THR H H 913 8.419 8.419 8.181 0.238 25899 1353 1 4 . 1 1 914 914 GLU N N 914 122.200 122.200 121.099 1.101 25899 1354 1 4 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.054 0.004 25899 1355 1 4 . 1 1 914 914 GLU C C 914 178.800 178.800 178.836 -0.036 25899 1356 1 4 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.207 0.613 25899 1357 1 4 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.389 0.211 25899 1358 1 4 . 1 1 914 914 GLU H H 914 8.189 8.189 7.879 0.310 25899 1359 1 4 . 1 1 915 915 ALA N N 915 1.501 1.501 122.283 -120.782 25899 1360 1 4 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.083 0.134 25899 1361 1 4 . 1 1 915 915 ALA C C 915 180.700 180.700 179.492 1.208 25899 1362 1 4 . 1 1 915 915 ALA CA C 915 55.200 55.200 55.061 0.139 25899 1363 1 4 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.057 -0.157 25899 1364 1 4 . 1 1 915 915 ALA H H 915 8.315 8.315 8.232 0.082 25899 1365 1 4 . 1 1 916 916 SER N N 916 115.000 115.000 115.089 -0.089 25899 1366 1 4 . 1 1 916 916 SER HA H 916 4.233 4.233 4.171 0.062 25899 1367 1 4 . 1 1 916 916 SER C C 916 176.700 176.700 176.820 -0.120 25899 1368 1 4 . 1 1 916 916 SER CA C 916 62.080 62.080 61.420 0.660 25899 1369 1 4 . 1 1 916 916 SER CB C 916 62.710 62.710 63.170 -0.460 25899 1370 1 4 . 1 1 916 916 SER H H 916 8.238 8.238 8.151 0.087 25899 1371 1 4 . 1 1 917 917 LEU N N 917 123.500 123.500 122.052 1.448 25899 1372 1 4 . 1 1 917 917 LEU HA H 917 4.113 4.113 4.061 0.052 25899 1373 1 4 . 1 1 917 917 LEU C C 917 180.000 180.000 179.140 0.860 25899 1374 1 4 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.893 0.287 25899 1375 1 4 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.069 0.571 25899 1376 1 4 . 1 1 917 917 LEU H H 917 7.880 7.880 7.832 0.048 25899 1377 1 4 . 1 1 918 918 GLN N N 918 119.000 119.000 118.395 0.605 25899 1378 1 4 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.983 0.117 25899 1379 1 4 . 1 1 918 918 GLN C C 918 178.900 178.900 178.753 0.147 25899 1380 1 4 . 1 1 918 918 GLN CA C 918 58.910 58.910 58.780 0.130 25899 1381 1 4 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.115 0.175 25899 1382 1 4 . 1 1 918 918 GLN H H 918 8.201 8.201 7.805 0.396 25899 1383 1 4 . 1 1 919 919 LYS N N 919 120.300 120.300 120.054 0.246 25899 1384 1 4 . 1 1 919 919 LYS HA H 919 3.883 3.883 4.075 -0.192 25899 1385 1 4 . 1 1 919 919 LYS C C 919 177.600 177.600 179.218 -1.618 25899 1386 1 4 . 1 1 919 919 LYS CA C 919 60.600 60.600 58.503 2.097 25899 1387 1 4 . 1 1 919 919 LYS CB C 919 32.380 32.380 31.979 0.401 25899 1388 1 4 . 1 1 919 919 LYS H H 919 8.191 8.191 7.812 0.379 25899 1389 1 4 . 1 1 920 920 LEU N N 920 119.100 119.100 119.732 -0.632 25899 1390 1 4 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.930 0.253 25899 1391 1 4 . 1 1 920 920 LEU C C 920 179.500 179.500 178.894 0.606 25899 1392 1 4 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.341 -0.071 25899 1393 1 4 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.438 0.412 25899 1394 1 4 . 1 1 920 920 LEU H H 920 7.738 7.738 7.895 -0.157 25899 1395 1 4 . 1 1 921 921 GLN N N 921 117.500 117.500 118.005 -0.505 25899 1396 1 4 . 1 1 921 921 GLN HA H 921 4.170 4.170 4.059 0.111 25899 1397 1 4 . 1 1 921 921 GLN C C 921 180.000 180.000 179.011 0.989 25899 1398 1 4 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.336 0.764 25899 1399 1 4 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.258 0.212 25899 1400 1 4 . 1 1 921 921 GLN H H 921 7.828 7.828 7.737 0.091 25899 1401 1 4 . 1 1 922 922 LEU N N 922 121.500 121.500 120.507 0.993 25899 1402 1 4 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.964 -0.000 25899 1403 1 4 . 1 1 922 922 LEU C C 922 178.700 178.700 178.924 -0.224 25899 1404 1 4 . 1 1 922 922 LEU CA C 922 58.160 58.160 58.291 -0.131 25899 1405 1 4 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.592 1.998 25899 1406 1 4 . 1 1 922 922 LEU H H 922 8.078 8.078 7.822 0.256 25899 1407 1 4 . 1 1 923 923 GLU N N 923 120.400 120.400 119.919 0.481 25899 1408 1 4 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.882 0.014 25899 1409 1 4 . 1 1 923 923 GLU C C 923 180.100 180.100 179.115 0.985 25899 1410 1 4 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.845 0.595 25899 1411 1 4 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.142 0.128 25899 1412 1 4 . 1 1 923 923 GLU H H 923 8.738 8.738 8.011 0.727 25899 1413 1 4 . 1 1 924 924 ASP N N 924 120.100 120.100 119.930 0.170 25899 1414 1 4 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.409 0.061 25899 1415 1 4 . 1 1 924 924 ASP C C 924 178.800 178.800 178.588 0.212 25899 1416 1 4 . 1 1 924 924 ASP CA C 924 57.490 57.490 57.060 0.430 25899 1417 1 4 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.318 0.172 25899 1418 1 4 . 1 1 924 924 ASP H H 924 8.102 8.102 7.852 0.250 25899 1419 1 4 . 1 1 925 925 LYS N N 925 122.500 122.500 121.469 1.031 25899 1420 1 4 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.036 0.184 25899 1421 1 4 . 1 1 925 925 LYS C C 925 178.700 178.700 178.911 -0.211 25899 1422 1 4 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.308 -0.688 25899 1423 1 4 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.593 -1.043 25899 1424 1 4 . 1 1 925 925 LYS H H 925 7.825 7.825 7.530 0.295 25899 1425 1 4 . 1 1 926 926 VAL N N 926 120.000 120.000 119.594 0.406 25899 1426 1 4 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.613 -0.177 25899 1427 1 4 . 1 1 926 926 VAL C C 926 177.300 177.300 177.724 -0.424 25899 1428 1 4 . 1 1 926 926 VAL CA C 926 67.820 67.820 67.107 0.713 25899 1429 1 4 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.236 0.464 25899 1430 1 4 . 1 1 926 926 VAL H H 926 8.578 8.578 8.481 0.097 25899 1431 1 4 . 1 1 927 927 GLU N N 927 118.000 118.000 120.647 -2.647 25899 1432 1 4 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.902 0.209 25899 1433 1 4 . 1 1 927 927 GLU C C 927 179.600 179.600 178.823 0.777 25899 1434 1 4 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.282 -0.342 25899 1435 1 4 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.461 -0.191 25899 1436 1 4 . 1 1 927 927 GLU H H 927 7.848 7.848 8.710 -0.862 25899 1437 1 4 . 1 1 928 928 GLU N N 928 120.900 120.900 119.230 1.670 25899 1438 1 4 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.075 0.037 25899 1439 1 4 . 1 1 928 928 GLU C C 928 179.700 179.700 179.263 0.437 25899 1440 1 4 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.051 0.439 25899 1441 1 4 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.668 0.152 25899 1442 1 4 . 1 1 928 928 GLU H H 928 8.139 8.139 7.933 0.206 25899 1443 1 4 . 1 1 929 929 LEU N N 929 120.600 120.600 121.590 -0.990 25899 1444 1 4 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.102 -0.077 25899 1445 1 4 . 1 1 929 929 LEU C C 929 179.600 179.600 178.414 1.186 25899 1446 1 4 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.873 0.187 25899 1447 1 4 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.911 1.449 25899 1448 1 4 . 1 1 929 929 LEU H H 929 8.557 8.557 8.086 0.471 25899 1449 1 4 . 1 1 930 930 LEU N N 930 122.000 122.000 120.128 1.872 25899 1450 1 4 . 1 1 930 930 LEU HA H 930 4.067 4.067 4.014 0.053 25899 1451 1 4 . 1 1 930 930 LEU C C 930 180.000 180.000 178.568 1.432 25899 1452 1 4 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.075 0.215 25899 1453 1 4 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.677 0.413 25899 1454 1 4 . 1 1 930 930 LEU H H 930 9.107 9.107 8.546 0.561 25899 1455 1 4 . 1 1 931 931 SER N N 931 114.800 114.800 115.592 -0.792 25899 1456 1 4 . 1 1 931 931 SER HA H 931 4.346 4.346 4.056 0.290 25899 1457 1 4 . 1 1 931 931 SER C C 931 177.700 177.700 176.793 0.907 25899 1458 1 4 . 1 1 931 931 SER CA C 931 61.790 61.790 62.112 -0.322 25899 1459 1 4 . 1 1 931 931 SER CB C 931 62.830 62.830 62.968 -0.138 25899 1460 1 4 . 1 1 931 931 SER H H 931 7.883 7.883 8.043 -0.160 25899 1461 1 4 . 1 1 932 932 LYS N N 932 122.200 122.200 120.862 1.338 25899 1462 1 4 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.226 -0.006 25899 1463 1 4 . 1 1 932 932 LYS C C 932 178.800 178.800 178.935 -0.135 25899 1464 1 4 . 1 1 932 932 LYS CA C 932 59.780 59.780 58.971 0.809 25899 1465 1 4 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.139 0.641 25899 1466 1 4 . 1 1 932 932 LYS H H 932 8.202 8.202 7.944 0.258 25899 1467 1 4 . 1 1 933 933 ASN N N 933 119.500 119.500 119.254 0.246 25899 1468 1 4 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.431 -0.030 25899 1469 1 4 . 1 1 933 933 ASN C C 933 176.800 176.800 177.654 -0.854 25899 1470 1 4 . 1 1 933 933 ASN CA C 933 57.330 57.330 56.408 0.922 25899 1471 1 4 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.586 0.424 25899 1472 1 4 . 1 1 933 933 ASN H H 933 8.777 8.777 8.256 0.521 25899 1473 1 4 . 1 1 934 934 TYR N N 934 120.300 120.300 122.305 -2.005 25899 1474 1 4 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.279 0.093 25899 1475 1 4 . 1 1 934 934 TYR C C 934 178.200 178.200 177.644 0.556 25899 1476 1 4 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.349 -0.509 25899 1477 1 4 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.340 -0.410 25899 1478 1 4 . 1 1 934 934 TYR H H 934 8.236 8.236 8.553 -0.317 25899 1479 1 4 . 1 1 935 935 HIS N N 935 118.000 118.000 117.420 0.580 25899 1480 1 4 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.155 0.198 25899 1481 1 4 . 1 1 935 935 HIS C C 935 178.600 178.600 177.864 0.736 25899 1482 1 4 . 1 1 935 935 HIS CA C 935 59.910 59.910 60.384 -0.474 25899 1483 1 4 . 1 1 935 935 HIS CB C 935 29.790 29.790 29.843 -0.053 25899 1484 1 4 . 1 1 935 935 HIS H H 935 7.817 7.817 7.880 -0.063 25899 1485 1 4 . 1 1 936 936 LEU N N 936 120.500 120.500 120.426 0.074 25899 1486 1 4 . 1 1 936 936 LEU HA H 936 4.123 4.123 4.083 0.040 25899 1487 1 4 . 1 1 936 936 LEU C C 936 178.900 178.900 178.982 -0.082 25899 1488 1 4 . 1 1 936 936 LEU CA C 936 58.220 58.220 57.966 0.254 25899 1489 1 4 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.625 2.015 25899 1490 1 4 . 1 1 936 936 LEU H H 936 8.522 8.522 8.405 0.117 25899 1491 1 4 . 1 1 937 937 GLU N N 937 119.600 119.600 119.941 -0.341 25899 1492 1 4 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.803 0.108 25899 1493 1 4 . 1 1 937 937 GLU C C 937 180.300 180.300 179.272 1.028 25899 1494 1 4 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.839 0.441 25899 1495 1 4 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.131 0.139 25899 1496 1 4 . 1 1 937 937 GLU H H 937 8.856 8.856 8.550 0.306 25899 1497 1 4 . 1 1 938 938 ASN N N 938 118.900 118.900 117.716 1.184 25899 1498 1 4 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.387 0.047 25899 1499 1 4 . 1 1 938 938 ASN C C 938 177.900 177.900 177.903 -0.003 25899 1500 1 4 . 1 1 938 938 ASN CA C 938 56.100 56.100 55.821 0.279 25899 1501 1 4 . 1 1 938 938 ASN CB C 938 38.010 38.010 37.801 0.209 25899 1502 1 4 . 1 1 938 938 ASN H H 938 7.735 7.735 7.797 -0.062 25899 1503 1 4 . 1 1 939 939 GLU N N 939 123.800 123.800 120.731 3.069 25899 1504 1 4 . 1 1 939 939 GLU HA H 939 4.442 4.442 4.021 0.421 25899 1505 1 4 . 1 1 939 939 GLU C C 939 178.400 178.400 179.102 -0.702 25899 1506 1 4 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.495 -0.785 25899 1507 1 4 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.925 0.205 25899 1508 1 4 . 1 1 939 939 GLU H H 939 8.098 8.098 7.700 0.398 25899 1509 1 4 . 1 1 940 940 VAL N N 940 120.000 120.000 116.288 3.712 25899 1510 1 4 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.714 -0.314 25899 1511 1 4 . 1 1 940 940 VAL C C 940 177.400 177.400 177.664 -0.264 25899 1512 1 4 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.090 1.630 25899 1513 1 4 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.466 0.164 25899 1514 1 4 . 1 1 940 940 VAL H H 940 8.669 8.669 8.543 0.126 25899 1515 1 4 . 1 1 941 941 ALA N N 941 119.800 119.800 123.162 -3.362 25899 1516 1 4 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.933 0.081 25899 1517 1 4 . 1 1 941 941 ALA C C 941 180.500 180.500 179.509 0.991 25899 1518 1 4 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.333 0.067 25899 1519 1 4 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.004 0.026 25899 1520 1 4 . 1 1 941 941 ALA H H 941 7.725 7.725 8.519 -0.794 25899 1521 1 4 . 1 1 942 942 ARG N N 942 119.400 119.400 118.854 0.546 25899 1522 1 4 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.019 -0.054 25899 1523 1 4 . 1 1 942 942 ARG C C 942 179.300 179.300 178.895 0.405 25899 1524 1 4 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.374 0.146 25899 1525 1 4 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.079 0.660 25899 1526 1 4 . 1 1 942 942 ARG H H 942 7.904 7.904 7.869 0.035 25899 1527 1 4 . 1 1 943 943 LEU N N 943 120.100 120.100 120.137 -0.037 25899 1528 1 4 . 1 1 943 943 LEU HA H 943 3.972 3.972 4.063 -0.091 25899 1529 1 4 . 1 1 943 943 LEU C C 943 179.300 179.300 178.938 0.362 25899 1530 1 4 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.783 0.297 25899 1531 1 4 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.124 2.816 25899 1532 1 4 . 1 1 943 943 LEU H H 943 8.417 8.417 7.661 0.756 25899 1533 1 4 . 1 1 944 944 LYS N N 944 118.700 118.700 119.521 -0.821 25899 1534 1 4 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.920 -0.096 25899 1535 1 4 . 1 1 944 944 LYS C C 944 179.500 179.500 178.928 0.572 25899 1536 1 4 . 1 1 944 944 LYS CA C 944 60.800 60.800 60.175 0.625 25899 1537 1 4 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.170 0.290 25899 1538 1 4 . 1 1 944 944 LYS H H 944 8.955 8.955 8.598 0.357 25899 1539 1 4 . 1 1 945 945 LYS N N 945 117.000 117.000 119.862 -2.862 25899 1540 1 4 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.069 0.095 25899 1541 1 4 . 1 1 945 945 LYS C C 945 179.000 179.000 179.384 -0.384 25899 1542 1 4 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.368 -0.698 25899 1543 1 4 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.314 -0.044 25899 1544 1 4 . 1 1 945 945 LYS H H 945 7.291 7.291 8.059 -0.768 25899 1545 1 4 . 1 1 946 946 LEU N N 946 118.700 118.700 118.906 -0.206 25899 1546 1 4 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.019 0.183 25899 1547 1 4 . 1 1 946 946 LEU C C 946 179.000 179.000 179.033 -0.033 25899 1548 1 4 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.248 -0.128 25899 1549 1 4 . 1 1 946 946 LEU CB C 946 42.680 42.680 42.000 0.680 25899 1550 1 4 . 1 1 946 946 LEU H H 946 7.441 7.441 7.458 -0.017 25899 1551 1 4 . 1 1 947 947 VAL N N 947 113.800 113.800 117.088 -3.288 25899 1552 1 4 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.913 0.235 25899 1553 1 4 . 1 1 947 947 VAL C C 947 176.600 176.600 176.896 -0.296 25899 1554 1 4 . 1 1 947 947 VAL CA C 947 62.750 62.750 64.186 -1.436 25899 1555 1 4 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.603 0.017 25899 1556 1 4 . 1 1 947 947 VAL H H 947 7.677 7.677 7.606 0.071 25899 1557 1 4 . 1 1 948 948 GLY N N 948 109.600 109.600 105.157 4.443 25899 1558 1 4 . 1 1 948 948 GLY C C 948 174.200 174.200 173.684 0.516 25899 1559 1 4 . 1 1 948 948 GLY CA C 948 46.020 46.020 44.944 1.076 25899 1560 1 4 . 1 1 948 948 GLY H H 948 7.853 7.853 8.253 -0.400 25899 1561 1 5 . 1 1 883 883 HIS C C 883 175.500 175.500 177.675 -2.175 25899 1562 1 5 . 1 1 883 883 HIS CA C 883 56.720 56.720 59.016 -2.296 25899 1563 1 5 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.361 0.679 25899 1564 1 5 . 1 1 884 884 GLU N N 884 121.300 121.300 119.678 1.622 25899 1565 1 5 . 1 1 884 884 GLU HA H 884 4.223 4.223 4.005 0.218 25899 1566 1 5 . 1 1 884 884 GLU C C 884 176.600 176.600 178.457 -1.857 25899 1567 1 5 . 1 1 884 884 GLU CA C 884 57.510 57.510 59.211 -1.701 25899 1568 1 5 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.102 0.948 25899 1569 1 5 . 1 1 884 884 GLU H H 884 8.428 8.428 8.932 -0.504 25899 1570 1 5 . 1 1 885 885 ASN N N 885 119.500 119.500 118.119 1.381 25899 1571 1 5 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.437 0.253 25899 1572 1 5 . 1 1 885 885 ASN C C 885 175.900 175.900 177.595 -1.695 25899 1573 1 5 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.786 -2.026 25899 1574 1 5 . 1 1 885 885 ASN CB C 885 38.730 38.730 37.970 0.760 25899 1575 1 5 . 1 1 885 885 ASN H H 885 8.474 8.474 7.722 0.752 25899 1576 1 5 . 1 1 886 886 LYS N N 886 121.700 121.700 120.437 1.263 25899 1577 1 5 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.049 0.181 25899 1578 1 5 . 1 1 886 886 LYS C C 886 177.700 177.700 179.239 -1.539 25899 1579 1 5 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.936 -2.196 25899 1580 1 5 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.228 0.332 25899 1581 1 5 . 1 1 886 886 LYS H H 886 8.311 8.311 8.263 0.048 25899 1582 1 5 . 1 1 887 887 GLN N N 887 119.600 119.600 119.078 0.522 25899 1583 1 5 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.060 0.179 25899 1584 1 5 . 1 1 887 887 GLN C C 887 177.200 177.200 178.482 -1.282 25899 1585 1 5 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.825 -0.595 25899 1586 1 5 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.732 0.178 25899 1587 1 5 . 1 1 887 887 GLN H H 887 8.247 8.247 7.658 0.589 25899 1588 1 5 . 1 1 888 888 VAL N N 888 119.100 119.100 119.537 -0.437 25899 1589 1 5 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.623 0.159 25899 1590 1 5 . 1 1 888 888 VAL C C 888 177.600 177.600 178.232 -0.632 25899 1591 1 5 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.567 -1.247 25899 1592 1 5 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.359 0.631 25899 1593 1 5 . 1 1 888 888 VAL H H 888 7.843 7.843 7.974 -0.131 25899 1594 1 5 . 1 1 889 889 GLU N N 889 120.400 120.400 119.477 0.923 25899 1595 1 5 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.960 0.018 25899 1596 1 5 . 1 1 889 889 GLU C C 889 178.900 178.900 179.000 -0.100 25899 1597 1 5 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.632 0.008 25899 1598 1 5 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.383 0.087 25899 1599 1 5 . 1 1 889 889 GLU H H 889 8.090 8.090 8.639 -0.549 25899 1600 1 5 . 1 1 890 890 GLU N N 890 120.700 120.700 120.442 0.258 25899 1601 1 5 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.110 0.154 25899 1602 1 5 . 1 1 890 890 GLU C C 890 178.200 178.200 178.960 -0.760 25899 1603 1 5 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.135 -0.015 25899 1604 1 5 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.255 0.416 25899 1605 1 5 . 1 1 890 890 GLU H H 890 8.133 8.133 8.077 0.056 25899 1606 1 5 . 1 1 891 891 ILE N N 891 119.400 119.400 120.904 -1.504 25899 1607 1 5 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.809 -0.258 25899 1608 1 5 . 1 1 891 891 ILE C C 891 177.400 177.400 177.922 -0.522 25899 1609 1 5 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.742 1.078 25899 1610 1 5 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.682 0.218 25899 1611 1 5 . 1 1 891 891 ILE H H 891 7.799 7.799 7.927 -0.128 25899 1612 1 5 . 1 1 892 892 LEU N N 892 118.400 118.400 120.911 -2.511 25899 1613 1 5 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.965 0.143 25899 1614 1 5 . 1 1 892 892 LEU C C 892 180.100 180.100 178.940 1.160 25899 1615 1 5 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.296 -0.226 25899 1616 1 5 . 1 1 892 892 LEU CB C 892 41.690 41.690 40.891 0.799 25899 1617 1 5 . 1 1 892 892 LEU H H 892 7.814 7.814 7.962 -0.148 25899 1618 1 5 . 1 1 893 893 ARG N N 893 119.900 119.900 118.228 1.672 25899 1619 1 5 . 1 1 893 893 ARG HA H 893 4.029 4.029 3.978 0.051 25899 1620 1 5 . 1 1 893 893 ARG C C 893 179.500 179.500 179.008 0.492 25899 1621 1 5 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.767 0.023 25899 1622 1 5 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.053 0.087 25899 1623 1 5 . 1 1 893 893 ARG H H 893 7.918 7.918 7.714 0.204 25899 1624 1 5 . 1 1 894 894 LEU N N 894 121.300 121.300 120.277 1.023 25899 1625 1 5 . 1 1 894 894 LEU HA H 894 4.075 4.075 3.942 0.133 25899 1626 1 5 . 1 1 894 894 LEU C C 894 179.200 179.200 178.957 0.243 25899 1627 1 5 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.954 0.176 25899 1628 1 5 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.364 1.145 25899 1629 1 5 . 1 1 894 894 LEU H H 894 8.236 8.236 7.817 0.419 25899 1630 1 5 . 1 1 895 895 GLU N N 895 118.200 118.200 119.691 -1.491 25899 1631 1 5 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.951 0.011 25899 1632 1 5 . 1 1 895 895 GLU C C 895 180.100 180.100 179.388 0.712 25899 1633 1 5 . 1 1 895 895 GLU CA C 895 60.270 60.270 59.921 0.349 25899 1634 1 5 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.227 0.273 25899 1635 1 5 . 1 1 895 895 GLU H H 895 8.780 8.780 8.392 0.388 25899 1636 1 5 . 1 1 896 896 LYS N N 896 120.600 120.600 119.303 1.297 25899 1637 1 5 . 1 1 896 896 LYS C C 896 178.300 178.300 179.230 -0.930 25899 1638 1 5 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.559 -0.579 25899 1639 1 5 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.587 -0.747 25899 1640 1 5 . 1 1 896 896 LYS H H 896 7.884 7.884 7.664 0.220 25899 1641 1 5 . 1 1 897 897 GLU N N 897 121.100 121.100 119.507 1.593 25899 1642 1 5 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.110 0.045 25899 1643 1 5 . 1 1 897 897 GLU C C 897 179.800 179.800 179.213 0.587 25899 1644 1 5 . 1 1 897 897 GLU CA C 897 59.870 59.870 58.813 1.057 25899 1645 1 5 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.525 -0.295 25899 1646 1 5 . 1 1 897 897 GLU H H 897 7.913 7.913 8.105 -0.192 25899 1647 1 5 . 1 1 898 898 ILE N N 898 120.000 120.000 120.771 -0.771 25899 1648 1 5 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.758 -0.223 25899 1649 1 5 . 1 1 898 898 ILE C C 898 177.300 177.300 177.356 -0.056 25899 1650 1 5 . 1 1 898 898 ILE CA C 898 66.300 66.300 63.698 2.602 25899 1651 1 5 . 1 1 898 898 ILE CB C 898 38.130 38.130 38.210 -0.080 25899 1652 1 5 . 1 1 898 898 ILE H H 898 8.274 8.274 8.602 -0.328 25899 1653 1 5 . 1 1 899 899 GLU N N 899 120.400 120.400 120.616 -0.216 25899 1654 1 5 . 1 1 899 899 GLU HA H 899 4.024 4.024 4.216 -0.192 25899 1655 1 5 . 1 1 899 899 GLU C C 899 179.400 179.400 178.686 0.714 25899 1656 1 5 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.475 0.415 25899 1657 1 5 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.256 0.274 25899 1658 1 5 . 1 1 899 899 GLU H H 899 7.891 7.891 7.935 -0.044 25899 1659 1 5 . 1 1 900 900 ASP N N 900 119.600 119.600 120.248 -0.648 25899 1660 1 5 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.374 0.090 25899 1661 1 5 . 1 1 900 900 ASP C C 900 179.800 179.800 178.843 0.957 25899 1662 1 5 . 1 1 900 900 ASP CA C 900 57.710 57.710 57.123 0.587 25899 1663 1 5 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.466 0.094 25899 1664 1 5 . 1 1 900 900 ASP H H 900 8.231 8.231 7.772 0.459 25899 1665 1 5 . 1 1 901 901 LEU N N 901 122.200 122.200 120.804 1.396 25899 1666 1 5 . 1 1 901 901 LEU HA H 901 4.122 4.122 4.007 0.115 25899 1667 1 5 . 1 1 901 901 LEU C C 901 179.900 179.900 178.374 1.526 25899 1668 1 5 . 1 1 901 901 LEU CA C 901 58.370 58.370 57.896 0.474 25899 1669 1 5 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.869 1.881 25899 1670 1 5 . 1 1 901 901 LEU H H 901 8.470 8.470 7.730 0.740 25899 1671 1 5 . 1 1 902 902 GLN N N 902 121.000 121.000 118.043 2.957 25899 1672 1 5 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.899 0.194 25899 1673 1 5 . 1 1 902 902 GLN C C 902 179.100 179.100 178.671 0.429 25899 1674 1 5 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.472 -0.052 25899 1675 1 5 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.390 -0.590 25899 1676 1 5 . 1 1 902 902 GLN H H 902 9.079 9.079 8.067 1.012 25899 1677 1 5 . 1 1 903 903 ARG N N 903 119.900 119.900 119.268 0.632 25899 1678 1 5 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.070 0.130 25899 1679 1 5 . 1 1 903 903 ARG C C 903 179.800 179.800 178.905 0.895 25899 1680 1 5 . 1 1 903 903 ARG CA C 903 59.440 59.440 59.553 -0.113 25899 1681 1 5 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.153 0.127 25899 1682 1 5 . 1 1 903 903 ARG H H 903 8.107 8.107 7.835 0.272 25899 1683 1 5 . 1 1 904 904 MET N N 904 119.500 119.500 118.710 0.790 25899 1684 1 5 . 1 1 904 904 MET HA H 904 4.218 4.218 4.182 0.036 25899 1685 1 5 . 1 1 904 904 MET C C 904 177.800 177.800 178.248 -0.448 25899 1686 1 5 . 1 1 904 904 MET CA C 904 58.590 58.590 57.729 0.861 25899 1687 1 5 . 1 1 904 904 MET CB C 904 32.280 32.280 31.630 0.650 25899 1688 1 5 . 1 1 904 904 MET H H 904 8.005 8.005 7.892 0.113 25899 1689 1 5 . 1 1 905 905 LYS N N 905 121.900 121.900 120.238 1.662 25899 1690 1 5 . 1 1 905 905 LYS HA H 905 4.369 4.369 3.951 0.418 25899 1691 1 5 . 1 1 905 905 LYS C C 905 179.300 179.300 178.529 0.771 25899 1692 1 5 . 1 1 905 905 LYS CA C 905 59.290 59.290 60.001 -0.711 25899 1693 1 5 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.238 0.182 25899 1694 1 5 . 1 1 905 905 LYS H H 905 8.465 8.465 7.917 0.548 25899 1695 1 5 . 1 1 906 906 GLU N N 906 119.200 119.200 119.402 -0.202 25899 1696 1 5 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.049 0.103 25899 1697 1 5 . 1 1 906 906 GLU C C 906 179.400 179.400 179.091 0.309 25899 1698 1 5 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.109 0.251 25899 1699 1 5 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.549 0.071 25899 1700 1 5 . 1 1 906 906 GLU H H 906 8.013 8.013 7.919 0.094 25899 1701 1 5 . 1 1 907 907 ARG N N 907 120.000 120.000 119.262 0.738 25899 1702 1 5 . 1 1 907 907 ARG HA H 907 4.161 4.161 4.025 0.136 25899 1703 1 5 . 1 1 907 907 ARG C C 907 179.800 179.800 179.128 0.672 25899 1704 1 5 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.181 0.289 25899 1705 1 5 . 1 1 907 907 ARG CB C 907 30.060 30.060 29.851 0.209 25899 1706 1 5 . 1 1 907 907 ARG H H 907 7.946 7.946 8.469 -0.523 25899 1707 1 5 . 1 1 908 908 GLN N N 908 119.300 119.300 118.494 0.806 25899 1708 1 5 . 1 1 908 908 GLN HA H 908 4.269 4.269 4.107 0.162 25899 1709 1 5 . 1 1 908 908 GLN C C 908 178.400 178.400 178.631 -0.231 25899 1710 1 5 . 1 1 908 908 GLN CA C 908 59.410 59.410 58.629 0.781 25899 1711 1 5 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.252 1.208 25899 1712 1 5 . 1 1 908 908 GLN H H 908 8.639 8.639 8.168 0.471 25899 1713 1 5 . 1 1 909 909 GLU N N 909 120.300 120.300 120.806 -0.506 25899 1714 1 5 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.039 -0.019 25899 1715 1 5 . 1 1 909 909 GLU C C 909 179.700 179.700 179.282 0.418 25899 1716 1 5 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.326 0.584 25899 1717 1 5 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.448 -0.058 25899 1718 1 5 . 1 1 909 909 GLU H H 909 8.346 8.346 7.867 0.479 25899 1719 1 5 . 1 1 910 910 LEU N N 910 121.100 121.100 119.992 1.108 25899 1720 1 5 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.005 0.226 25899 1721 1 5 . 1 1 910 910 LEU C C 910 180.100 180.100 179.117 0.983 25899 1722 1 5 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.965 0.405 25899 1723 1 5 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.840 -0.350 25899 1724 1 5 . 1 1 910 910 LEU H H 910 7.825 7.825 8.182 -0.357 25899 1725 1 5 . 1 1 911 911 SER N N 911 116.500 116.500 115.247 1.253 25899 1726 1 5 . 1 1 911 911 SER HA H 911 4.322 4.322 4.154 0.168 25899 1727 1 5 . 1 1 911 911 SER C C 911 177.300 177.300 176.600 0.700 25899 1728 1 5 . 1 1 911 911 SER CA C 911 62.340 62.340 62.250 0.090 25899 1729 1 5 . 1 1 911 911 SER CB C 911 62.990 62.990 62.998 -0.008 25899 1730 1 5 . 1 1 911 911 SER H H 911 8.142 8.142 7.823 0.319 25899 1731 1 5 . 1 1 912 912 LEU N N 912 125.300 125.300 122.406 2.894 25899 1732 1 5 . 1 1 912 912 LEU HA H 912 4.213 4.213 4.048 0.165 25899 1733 1 5 . 1 1 912 912 LEU C C 912 179.500 179.500 178.197 1.303 25899 1734 1 5 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.181 0.209 25899 1735 1 5 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.856 -0.236 25899 1736 1 5 . 1 1 912 912 LEU H H 912 8.651 8.651 7.959 0.692 25899 1737 1 5 . 1 1 913 913 THR N N 913 120.000 120.000 115.758 4.242 25899 1738 1 5 . 1 1 913 913 THR HA H 913 3.983 3.983 3.907 0.076 25899 1739 1 5 . 1 1 913 913 THR C C 913 176.800 176.800 176.925 -0.125 25899 1740 1 5 . 1 1 913 913 THR CA C 913 67.130 67.130 67.391 -0.261 25899 1741 1 5 . 1 1 913 913 THR CB C 913 68.680 68.680 68.353 0.327 25899 1742 1 5 . 1 1 913 913 THR H H 913 8.419 8.419 7.877 0.542 25899 1743 1 5 . 1 1 914 914 GLU N N 914 122.200 122.200 121.425 0.775 25899 1744 1 5 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.016 0.042 25899 1745 1 5 . 1 1 914 914 GLU C C 914 178.800 178.800 178.737 0.063 25899 1746 1 5 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.290 0.530 25899 1747 1 5 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.454 0.146 25899 1748 1 5 . 1 1 914 914 GLU H H 914 8.189 8.189 7.928 0.261 25899 1749 1 5 . 1 1 915 915 ALA N N 915 1.501 1.501 123.336 -121.835 25899 1750 1 5 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.008 0.209 25899 1751 1 5 . 1 1 915 915 ALA C C 915 180.700 180.700 179.402 1.298 25899 1752 1 5 . 1 1 915 915 ALA CA C 915 55.200 55.200 55.261 -0.061 25899 1753 1 5 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.150 -0.250 25899 1754 1 5 . 1 1 915 915 ALA H H 915 8.315 8.315 8.130 0.185 25899 1755 1 5 . 1 1 916 916 SER N N 916 115.000 115.000 114.765 0.235 25899 1756 1 5 . 1 1 916 916 SER HA H 916 4.233 4.233 4.196 0.037 25899 1757 1 5 . 1 1 916 916 SER C C 916 176.700 176.700 176.855 -0.155 25899 1758 1 5 . 1 1 916 916 SER CA C 916 62.080 62.080 61.800 0.280 25899 1759 1 5 . 1 1 916 916 SER CB C 916 62.710 62.710 62.995 -0.285 25899 1760 1 5 . 1 1 916 916 SER H H 916 8.238 8.238 7.805 0.433 25899 1761 1 5 . 1 1 917 917 LEU N N 917 123.500 123.500 122.355 1.145 25899 1762 1 5 . 1 1 917 917 LEU HA H 917 4.113 4.113 3.935 0.178 25899 1763 1 5 . 1 1 917 917 LEU C C 917 180.000 180.000 178.531 1.469 25899 1764 1 5 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.738 0.442 25899 1765 1 5 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.728 -0.088 25899 1766 1 5 . 1 1 917 917 LEU H H 917 7.880 7.880 7.810 0.070 25899 1767 1 5 . 1 1 918 918 GLN N N 918 119.000 119.000 119.071 -0.071 25899 1768 1 5 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.942 0.158 25899 1769 1 5 . 1 1 918 918 GLN C C 918 178.900 178.900 178.272 0.628 25899 1770 1 5 . 1 1 918 918 GLN CA C 918 58.910 58.910 59.293 -0.383 25899 1771 1 5 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.479 -0.189 25899 1772 1 5 . 1 1 918 918 GLN H H 918 8.201 8.201 8.228 -0.027 25899 1773 1 5 . 1 1 919 919 LYS N N 919 120.300 120.300 120.002 0.298 25899 1774 1 5 . 1 1 919 919 LYS HA H 919 3.883 3.883 3.979 -0.096 25899 1775 1 5 . 1 1 919 919 LYS C C 919 177.600 177.600 179.349 -1.749 25899 1776 1 5 . 1 1 919 919 LYS CA C 919 60.600 60.600 59.622 0.978 25899 1777 1 5 . 1 1 919 919 LYS CB C 919 32.380 32.380 32.248 0.132 25899 1778 1 5 . 1 1 919 919 LYS H H 919 8.191 8.191 7.645 0.546 25899 1779 1 5 . 1 1 920 920 LEU N N 920 119.100 119.100 120.038 -0.938 25899 1780 1 5 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.962 0.221 25899 1781 1 5 . 1 1 920 920 LEU C C 920 179.500 179.500 179.136 0.364 25899 1782 1 5 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.273 -0.003 25899 1783 1 5 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.523 0.327 25899 1784 1 5 . 1 1 920 920 LEU H H 920 7.738 7.738 7.806 -0.068 25899 1785 1 5 . 1 1 921 921 GLN N N 921 117.500 117.500 118.220 -0.720 25899 1786 1 5 . 1 1 921 921 GLN HA H 921 4.170 4.170 3.989 0.181 25899 1787 1 5 . 1 1 921 921 GLN C C 921 180.000 180.000 178.951 1.049 25899 1788 1 5 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.722 0.378 25899 1789 1 5 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.269 0.201 25899 1790 1 5 . 1 1 921 921 GLN H H 921 7.828 7.828 7.705 0.123 25899 1791 1 5 . 1 1 922 922 LEU N N 922 121.500 121.500 120.490 1.010 25899 1792 1 5 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.958 0.006 25899 1793 1 5 . 1 1 922 922 LEU C C 922 178.700 178.700 178.883 -0.183 25899 1794 1 5 . 1 1 922 922 LEU CA C 922 58.160 58.160 58.433 -0.273 25899 1795 1 5 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.643 1.947 25899 1796 1 5 . 1 1 922 922 LEU H H 922 8.078 8.078 7.898 0.180 25899 1797 1 5 . 1 1 923 923 GLU N N 923 120.400 120.400 119.567 0.833 25899 1798 1 5 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.867 0.029 25899 1799 1 5 . 1 1 923 923 GLU C C 923 180.100 180.100 179.093 1.007 25899 1800 1 5 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.726 0.714 25899 1801 1 5 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.129 0.141 25899 1802 1 5 . 1 1 923 923 GLU H H 923 8.738 8.738 7.888 0.850 25899 1803 1 5 . 1 1 924 924 ASP N N 924 120.100 120.100 120.175 -0.075 25899 1804 1 5 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.408 0.062 25899 1805 1 5 . 1 1 924 924 ASP C C 924 178.800 178.800 178.245 0.555 25899 1806 1 5 . 1 1 924 924 ASP CA C 924 57.490 57.490 56.928 0.562 25899 1807 1 5 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.775 -0.285 25899 1808 1 5 . 1 1 924 924 ASP H H 924 8.102 8.102 7.815 0.287 25899 1809 1 5 . 1 1 925 925 LYS N N 925 122.500 122.500 120.436 2.064 25899 1810 1 5 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.063 0.157 25899 1811 1 5 . 1 1 925 925 LYS C C 925 178.700 178.700 179.016 -0.316 25899 1812 1 5 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.527 -0.907 25899 1813 1 5 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.579 -1.029 25899 1814 1 5 . 1 1 925 925 LYS H H 925 7.825 7.825 7.523 0.302 25899 1815 1 5 . 1 1 926 926 VAL N N 926 120.000 120.000 119.543 0.457 25899 1816 1 5 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.540 -0.104 25899 1817 1 5 . 1 1 926 926 VAL C C 926 177.300 177.300 177.670 -0.370 25899 1818 1 5 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.831 0.990 25899 1819 1 5 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.719 -0.019 25899 1820 1 5 . 1 1 926 926 VAL H H 926 8.578 8.578 8.570 0.008 25899 1821 1 5 . 1 1 927 927 GLU N N 927 118.000 118.000 120.376 -2.376 25899 1822 1 5 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.917 0.194 25899 1823 1 5 . 1 1 927 927 GLU C C 927 179.600 179.600 178.849 0.751 25899 1824 1 5 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.208 -0.268 25899 1825 1 5 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.424 -0.154 25899 1826 1 5 . 1 1 927 927 GLU H H 927 7.848 7.848 8.645 -0.797 25899 1827 1 5 . 1 1 928 928 GLU N N 928 120.900 120.900 119.652 1.248 25899 1828 1 5 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.063 0.049 25899 1829 1 5 . 1 1 928 928 GLU C C 928 179.700 179.700 179.416 0.284 25899 1830 1 5 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.176 0.314 25899 1831 1 5 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.727 0.093 25899 1832 1 5 . 1 1 928 928 GLU H H 928 8.139 8.139 7.819 0.320 25899 1833 1 5 . 1 1 929 929 LEU N N 929 120.600 120.600 120.503 0.097 25899 1834 1 5 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.122 -0.097 25899 1835 1 5 . 1 1 929 929 LEU C C 929 179.600 179.600 179.245 0.355 25899 1836 1 5 . 1 1 929 929 LEU CA C 929 58.060 58.060 58.242 -0.182 25899 1837 1 5 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.660 1.700 25899 1838 1 5 . 1 1 929 929 LEU H H 929 8.557 8.557 8.535 0.022 25899 1839 1 5 . 1 1 930 930 LEU N N 930 122.000 122.000 120.502 1.498 25899 1840 1 5 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.876 0.191 25899 1841 1 5 . 1 1 930 930 LEU C C 930 180.000 180.000 178.274 1.726 25899 1842 1 5 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.947 -0.657 25899 1843 1 5 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.770 0.320 25899 1844 1 5 . 1 1 930 930 LEU H H 930 9.107 9.107 8.762 0.345 25899 1845 1 5 . 1 1 931 931 SER N N 931 114.800 114.800 114.870 -0.070 25899 1846 1 5 . 1 1 931 931 SER HA H 931 4.346 4.346 4.202 0.144 25899 1847 1 5 . 1 1 931 931 SER C C 931 177.700 177.700 177.088 0.612 25899 1848 1 5 . 1 1 931 931 SER CA C 931 61.790 61.790 62.047 -0.257 25899 1849 1 5 . 1 1 931 931 SER CB C 931 62.830 62.830 62.792 0.038 25899 1850 1 5 . 1 1 931 931 SER H H 931 7.883 7.883 7.971 -0.088 25899 1851 1 5 . 1 1 932 932 LYS N N 932 122.200 122.200 121.836 0.364 25899 1852 1 5 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.086 0.134 25899 1853 1 5 . 1 1 932 932 LYS C C 932 178.800 178.800 179.184 -0.384 25899 1854 1 5 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.840 -0.061 25899 1855 1 5 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.337 0.443 25899 1856 1 5 . 1 1 932 932 LYS H H 932 8.202 8.202 8.136 0.066 25899 1857 1 5 . 1 1 933 933 ASN N N 933 119.500 119.500 119.046 0.454 25899 1858 1 5 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.489 -0.088 25899 1859 1 5 . 1 1 933 933 ASN C C 933 176.800 176.800 177.513 -0.713 25899 1860 1 5 . 1 1 933 933 ASN CA C 933 57.330 57.330 56.072 1.258 25899 1861 1 5 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.032 0.978 25899 1862 1 5 . 1 1 933 933 ASN H H 933 8.777 8.777 8.626 0.151 25899 1863 1 5 . 1 1 934 934 TYR N N 934 120.300 120.300 122.519 -2.219 25899 1864 1 5 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.230 0.142 25899 1865 1 5 . 1 1 934 934 TYR C C 934 178.200 178.200 177.761 0.439 25899 1866 1 5 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.138 -0.298 25899 1867 1 5 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.395 -0.465 25899 1868 1 5 . 1 1 934 934 TYR H H 934 8.236 8.236 8.571 -0.335 25899 1869 1 5 . 1 1 935 935 HIS N N 935 118.000 118.000 118.974 -0.974 25899 1870 1 5 . 1 1 935 935 HIS HA H 935 4.353 4.353 3.996 0.357 25899 1871 1 5 . 1 1 935 935 HIS C C 935 178.600 178.600 177.658 0.942 25899 1872 1 5 . 1 1 935 935 HIS CA C 935 59.910 59.910 59.513 0.397 25899 1873 1 5 . 1 1 935 935 HIS CB C 935 29.790 29.790 30.439 -0.649 25899 1874 1 5 . 1 1 935 935 HIS H H 935 7.817 7.817 7.954 -0.137 25899 1875 1 5 . 1 1 936 936 LEU N N 936 120.500 120.500 119.778 0.722 25899 1876 1 5 . 1 1 936 936 LEU HA H 936 4.123 4.123 3.813 0.310 25899 1877 1 5 . 1 1 936 936 LEU C C 936 178.900 178.900 178.935 -0.035 25899 1878 1 5 . 1 1 936 936 LEU CA C 936 58.220 58.220 57.919 0.301 25899 1879 1 5 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.968 1.672 25899 1880 1 5 . 1 1 936 936 LEU H H 936 8.522 8.522 8.620 -0.098 25899 1881 1 5 . 1 1 937 937 GLU N N 937 119.600 119.600 119.780 -0.180 25899 1882 1 5 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.840 0.071 25899 1883 1 5 . 1 1 937 937 GLU C C 937 180.300 180.300 179.243 1.057 25899 1884 1 5 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.880 0.400 25899 1885 1 5 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.278 -0.008 25899 1886 1 5 . 1 1 937 937 GLU H H 937 8.856 8.856 8.724 0.132 25899 1887 1 5 . 1 1 938 938 ASN N N 938 118.900 118.900 117.767 1.133 25899 1888 1 5 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.383 0.051 25899 1889 1 5 . 1 1 938 938 ASN C C 938 177.900 177.900 177.978 -0.078 25899 1890 1 5 . 1 1 938 938 ASN CA C 938 56.100 56.100 55.842 0.258 25899 1891 1 5 . 1 1 938 938 ASN CB C 938 38.010 38.010 37.745 0.265 25899 1892 1 5 . 1 1 938 938 ASN H H 938 7.735 7.735 7.843 -0.108 25899 1893 1 5 . 1 1 939 939 GLU N N 939 123.800 123.800 121.114 2.686 25899 1894 1 5 . 1 1 939 939 GLU HA H 939 4.442 4.442 3.976 0.466 25899 1895 1 5 . 1 1 939 939 GLU C C 939 178.400 178.400 179.077 -0.677 25899 1896 1 5 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.315 -0.605 25899 1897 1 5 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.740 0.390 25899 1898 1 5 . 1 1 939 939 GLU H H 939 8.098 8.098 7.590 0.508 25899 1899 1 5 . 1 1 940 940 VAL N N 940 120.000 120.000 119.682 0.318 25899 1900 1 5 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.667 -0.267 25899 1901 1 5 . 1 1 940 940 VAL C C 940 177.400 177.400 178.078 -0.678 25899 1902 1 5 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.248 1.472 25899 1903 1 5 . 1 1 940 940 VAL CB C 940 31.630 31.630 30.960 0.670 25899 1904 1 5 . 1 1 940 940 VAL H H 940 8.669 8.669 8.469 0.200 25899 1905 1 5 . 1 1 941 941 ALA N N 941 119.800 119.800 122.577 -2.777 25899 1906 1 5 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.883 0.131 25899 1907 1 5 . 1 1 941 941 ALA C C 941 180.500 180.500 178.961 1.539 25899 1908 1 5 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.532 -0.132 25899 1909 1 5 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.088 -0.058 25899 1910 1 5 . 1 1 941 941 ALA H H 941 7.725 7.725 8.632 -0.907 25899 1911 1 5 . 1 1 942 942 ARG N N 942 119.400 119.400 119.206 0.194 25899 1912 1 5 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.041 -0.076 25899 1913 1 5 . 1 1 942 942 ARG C C 942 179.300 179.300 178.489 0.811 25899 1914 1 5 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.167 0.353 25899 1915 1 5 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.259 0.481 25899 1916 1 5 . 1 1 942 942 ARG H H 942 7.904 7.904 7.659 0.245 25899 1917 1 5 . 1 1 943 943 LEU N N 943 120.100 120.100 120.090 0.010 25899 1918 1 5 . 1 1 943 943 LEU HA H 943 3.972 3.972 4.054 -0.082 25899 1919 1 5 . 1 1 943 943 LEU C C 943 179.300 179.300 178.407 0.893 25899 1920 1 5 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.692 0.388 25899 1921 1 5 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.773 2.167 25899 1922 1 5 . 1 1 943 943 LEU H H 943 8.417 8.417 7.706 0.711 25899 1923 1 5 . 1 1 944 944 LYS N N 944 118.700 118.700 118.886 -0.186 25899 1924 1 5 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.916 -0.092 25899 1925 1 5 . 1 1 944 944 LYS C C 944 179.500 179.500 179.404 0.096 25899 1926 1 5 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.906 0.895 25899 1927 1 5 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.172 0.288 25899 1928 1 5 . 1 1 944 944 LYS H H 944 8.955 8.955 8.451 0.504 25899 1929 1 5 . 1 1 945 945 LYS N N 945 117.000 117.000 119.789 -2.789 25899 1930 1 5 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.074 0.090 25899 1931 1 5 . 1 1 945 945 LYS C C 945 179.000 179.000 178.831 0.169 25899 1932 1 5 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.309 -0.640 25899 1933 1 5 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.251 0.019 25899 1934 1 5 . 1 1 945 945 LYS H H 945 7.291 7.291 8.216 -0.925 25899 1935 1 5 . 1 1 946 946 LEU N N 946 118.700 118.700 118.125 0.575 25899 1936 1 5 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.029 0.174 25899 1937 1 5 . 1 1 946 946 LEU C C 946 179.000 179.000 178.665 0.335 25899 1938 1 5 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.218 -0.098 25899 1939 1 5 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.709 0.971 25899 1940 1 5 . 1 1 946 946 LEU H H 946 7.441 7.441 7.252 0.189 25899 1941 1 5 . 1 1 947 947 VAL N N 947 113.800 113.800 117.030 -3.230 25899 1942 1 5 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.901 0.247 25899 1943 1 5 . 1 1 947 947 VAL C C 947 176.600 176.600 176.998 -0.398 25899 1944 1 5 . 1 1 947 947 VAL CA C 947 62.750 62.750 63.925 -1.175 25899 1945 1 5 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.356 0.264 25899 1946 1 5 . 1 1 947 947 VAL H H 947 7.677 7.677 7.321 0.356 25899 1947 1 5 . 1 1 948 948 GLY N N 948 109.600 109.600 104.577 5.023 25899 1948 1 5 . 1 1 948 948 GLY C C 948 174.200 174.200 173.850 0.350 25899 1949 1 5 . 1 1 948 948 GLY CA C 948 46.020 46.020 44.965 1.056 25899 1950 1 5 . 1 1 948 948 GLY H H 948 7.853 7.853 8.192 -0.339 25899 1951 1 6 . 1 1 883 883 HIS C C 883 175.500 175.500 177.171 -1.671 25899 1952 1 6 . 1 1 883 883 HIS CA C 883 56.720 56.720 57.794 -1.074 25899 1953 1 6 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.547 0.493 25899 1954 1 6 . 1 1 884 884 GLU N N 884 121.300 121.300 121.061 0.239 25899 1955 1 6 . 1 1 884 884 GLU HA H 884 4.223 4.223 4.129 0.094 25899 1956 1 6 . 1 1 884 884 GLU C C 884 176.600 176.600 178.117 -1.517 25899 1957 1 6 . 1 1 884 884 GLU CA C 884 57.510 57.510 58.850 -1.340 25899 1958 1 6 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.260 0.790 25899 1959 1 6 . 1 1 884 884 GLU H H 884 8.428 8.428 8.847 -0.419 25899 1960 1 6 . 1 1 885 885 ASN N N 885 119.500 119.500 118.276 1.224 25899 1961 1 6 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.446 0.244 25899 1962 1 6 . 1 1 885 885 ASN C C 885 175.900 175.900 177.520 -1.620 25899 1963 1 6 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.814 -2.054 25899 1964 1 6 . 1 1 885 885 ASN CB C 885 38.730 38.730 38.049 0.681 25899 1965 1 6 . 1 1 885 885 ASN H H 885 8.474 8.474 7.783 0.691 25899 1966 1 6 . 1 1 886 886 LYS N N 886 121.700 121.700 120.452 1.248 25899 1967 1 6 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.047 0.183 25899 1968 1 6 . 1 1 886 886 LYS C C 886 177.700 177.700 179.238 -1.538 25899 1969 1 6 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.984 -2.244 25899 1970 1 6 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.225 0.335 25899 1971 1 6 . 1 1 886 886 LYS H H 886 8.311 8.311 7.746 0.565 25899 1972 1 6 . 1 1 887 887 GLN N N 887 119.600 119.600 119.296 0.304 25899 1973 1 6 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.063 0.176 25899 1974 1 6 . 1 1 887 887 GLN C C 887 177.200 177.200 178.637 -1.437 25899 1975 1 6 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.972 -0.742 25899 1976 1 6 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.890 0.021 25899 1977 1 6 . 1 1 887 887 GLN H H 887 8.247 8.247 7.714 0.533 25899 1978 1 6 . 1 1 888 888 VAL N N 888 119.100 119.100 119.734 -0.634 25899 1979 1 6 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.614 0.168 25899 1980 1 6 . 1 1 888 888 VAL C C 888 177.600 177.600 178.168 -0.568 25899 1981 1 6 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.680 -1.360 25899 1982 1 6 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.370 0.620 25899 1983 1 6 . 1 1 888 888 VAL H H 888 7.843 7.843 7.982 -0.139 25899 1984 1 6 . 1 1 889 889 GLU N N 889 120.400 120.400 119.241 1.159 25899 1985 1 6 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.970 0.008 25899 1986 1 6 . 1 1 889 889 GLU C C 889 178.900 178.900 178.927 -0.027 25899 1987 1 6 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.672 -0.032 25899 1988 1 6 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.395 0.075 25899 1989 1 6 . 1 1 889 889 GLU H H 889 8.090 8.090 8.671 -0.581 25899 1990 1 6 . 1 1 890 890 GLU N N 890 120.700 120.700 120.414 0.286 25899 1991 1 6 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.080 0.183 25899 1992 1 6 . 1 1 890 890 GLU C C 890 178.200 178.200 179.098 -0.898 25899 1993 1 6 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.275 -0.155 25899 1994 1 6 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.655 0.015 25899 1995 1 6 . 1 1 890 890 GLU H H 890 8.133 8.133 8.274 -0.141 25899 1996 1 6 . 1 1 891 891 ILE N N 891 119.400 119.400 120.847 -1.447 25899 1997 1 6 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.749 -0.198 25899 1998 1 6 . 1 1 891 891 ILE C C 891 177.400 177.400 177.832 -0.432 25899 1999 1 6 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.692 1.128 25899 2000 1 6 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.916 -0.016 25899 2001 1 6 . 1 1 891 891 ILE H H 891 7.799 7.799 8.262 -0.463 25899 2002 1 6 . 1 1 892 892 LEU N N 892 118.400 118.400 120.182 -1.782 25899 2003 1 6 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.912 0.196 25899 2004 1 6 . 1 1 892 892 LEU C C 892 180.100 180.100 179.249 0.851 25899 2005 1 6 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.174 -0.104 25899 2006 1 6 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.281 0.409 25899 2007 1 6 . 1 1 892 892 LEU H H 892 7.814 7.814 7.817 -0.003 25899 2008 1 6 . 1 1 893 893 ARG N N 893 119.900 119.900 118.927 0.973 25899 2009 1 6 . 1 1 893 893 ARG HA H 893 4.029 4.029 4.014 0.015 25899 2010 1 6 . 1 1 893 893 ARG C C 893 179.500 179.500 178.987 0.513 25899 2011 1 6 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.490 0.300 25899 2012 1 6 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.036 0.104 25899 2013 1 6 . 1 1 893 893 ARG H H 893 7.918 7.918 7.623 0.295 25899 2014 1 6 . 1 1 894 894 LEU N N 894 121.300 121.300 120.268 1.032 25899 2015 1 6 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.029 0.046 25899 2016 1 6 . 1 1 894 894 LEU C C 894 179.200 179.200 178.992 0.208 25899 2017 1 6 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.837 0.293 25899 2018 1 6 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.634 0.876 25899 2019 1 6 . 1 1 894 894 LEU H H 894 8.236 8.236 7.992 0.243 25899 2020 1 6 . 1 1 895 895 GLU N N 895 118.200 118.200 119.713 -1.513 25899 2021 1 6 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.931 0.031 25899 2022 1 6 . 1 1 895 895 GLU C C 895 180.100 180.100 179.255 0.845 25899 2023 1 6 . 1 1 895 895 GLU CA C 895 60.270 60.270 60.004 0.266 25899 2024 1 6 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.225 0.275 25899 2025 1 6 . 1 1 895 895 GLU H H 895 8.780 8.780 8.237 0.543 25899 2026 1 6 . 1 1 896 896 LYS N N 896 120.600 120.600 119.254 1.346 25899 2027 1 6 . 1 1 896 896 LYS C C 896 178.300 178.300 179.317 -1.017 25899 2028 1 6 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.773 -0.792 25899 2029 1 6 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.464 -0.624 25899 2030 1 6 . 1 1 896 896 LYS H H 896 7.884 7.884 7.742 0.141 25899 2031 1 6 . 1 1 897 897 GLU N N 897 121.100 121.100 120.028 1.072 25899 2032 1 6 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.075 0.080 25899 2033 1 6 . 1 1 897 897 GLU C C 897 179.800 179.800 179.171 0.629 25899 2034 1 6 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.359 0.511 25899 2035 1 6 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.770 -0.540 25899 2036 1 6 . 1 1 897 897 GLU H H 897 7.913 7.913 7.764 0.149 25899 2037 1 6 . 1 1 898 898 ILE N N 898 120.000 120.000 120.103 -0.103 25899 2038 1 6 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.768 -0.234 25899 2039 1 6 . 1 1 898 898 ILE C C 898 177.300 177.300 178.102 -0.802 25899 2040 1 6 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.028 2.272 25899 2041 1 6 . 1 1 898 898 ILE CB C 898 38.130 38.130 37.007 1.123 25899 2042 1 6 . 1 1 898 898 ILE H H 898 8.274 8.274 8.676 -0.402 25899 2043 1 6 . 1 1 899 899 GLU N N 899 120.400 120.400 120.993 -0.593 25899 2044 1 6 . 1 1 899 899 GLU HA H 899 4.024 4.024 4.094 -0.070 25899 2045 1 6 . 1 1 899 899 GLU C C 899 179.400 179.400 178.624 0.776 25899 2046 1 6 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.749 0.141 25899 2047 1 6 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.503 0.027 25899 2048 1 6 . 1 1 899 899 GLU H H 899 7.891 7.891 8.608 -0.718 25899 2049 1 6 . 1 1 900 900 ASP N N 900 119.600 119.600 120.358 -0.758 25899 2050 1 6 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.394 0.070 25899 2051 1 6 . 1 1 900 900 ASP C C 900 179.800 179.800 178.976 0.824 25899 2052 1 6 . 1 1 900 900 ASP CA C 900 57.710 57.710 57.202 0.508 25899 2053 1 6 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.426 0.134 25899 2054 1 6 . 1 1 900 900 ASP H H 900 8.231 8.231 7.874 0.357 25899 2055 1 6 . 1 1 901 901 LEU N N 901 122.200 122.200 120.366 1.834 25899 2056 1 6 . 1 1 901 901 LEU HA H 901 4.122 4.122 3.891 0.231 25899 2057 1 6 . 1 1 901 901 LEU C C 901 179.900 179.900 178.979 0.921 25899 2058 1 6 . 1 1 901 901 LEU CA C 901 58.370 58.370 58.027 0.343 25899 2059 1 6 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.746 2.004 25899 2060 1 6 . 1 1 901 901 LEU H H 901 8.470 8.470 7.829 0.641 25899 2061 1 6 . 1 1 902 902 GLN N N 902 121.000 121.000 118.256 2.744 25899 2062 1 6 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.887 0.206 25899 2063 1 6 . 1 1 902 902 GLN C C 902 179.100 179.100 178.685 0.415 25899 2064 1 6 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.635 -0.215 25899 2065 1 6 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.505 -0.705 25899 2066 1 6 . 1 1 902 902 GLN H H 902 9.079 9.079 8.174 0.905 25899 2067 1 6 . 1 1 903 903 ARG N N 903 119.900 119.900 119.523 0.377 25899 2068 1 6 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.064 0.136 25899 2069 1 6 . 1 1 903 903 ARG C C 903 179.800 179.800 179.028 0.772 25899 2070 1 6 . 1 1 903 903 ARG CA C 903 59.440 59.440 59.374 0.066 25899 2071 1 6 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.128 0.152 25899 2072 1 6 . 1 1 903 903 ARG H H 903 8.107 8.107 7.900 0.207 25899 2073 1 6 . 1 1 904 904 MET N N 904 119.500 119.500 119.243 0.257 25899 2074 1 6 . 1 1 904 904 MET HA H 904 4.218 4.218 4.179 0.039 25899 2075 1 6 . 1 1 904 904 MET C C 904 177.800 177.800 178.645 -0.845 25899 2076 1 6 . 1 1 904 904 MET CA C 904 58.590 58.590 57.976 0.614 25899 2077 1 6 . 1 1 904 904 MET CB C 904 32.280 32.280 31.722 0.558 25899 2078 1 6 . 1 1 904 904 MET H H 904 8.005 8.005 8.215 -0.210 25899 2079 1 6 . 1 1 905 905 LYS N N 905 121.900 121.900 119.964 1.936 25899 2080 1 6 . 1 1 905 905 LYS HA H 905 4.369 4.369 4.213 0.156 25899 2081 1 6 . 1 1 905 905 LYS C C 905 179.300 179.300 179.603 -0.303 25899 2082 1 6 . 1 1 905 905 LYS CA C 905 59.290 59.290 59.681 -0.391 25899 2083 1 6 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.371 0.049 25899 2084 1 6 . 1 1 905 905 LYS H H 905 8.465 8.465 8.280 0.185 25899 2085 1 6 . 1 1 906 906 GLU N N 906 119.200 119.200 119.196 0.004 25899 2086 1 6 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.081 0.071 25899 2087 1 6 . 1 1 906 906 GLU C C 906 179.400 179.400 179.280 0.120 25899 2088 1 6 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.121 0.239 25899 2089 1 6 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.314 0.306 25899 2090 1 6 . 1 1 906 906 GLU H H 906 8.013 8.013 7.951 0.062 25899 2091 1 6 . 1 1 907 907 ARG N N 907 120.000 120.000 119.140 0.860 25899 2092 1 6 . 1 1 907 907 ARG HA H 907 4.161 4.161 3.922 0.239 25899 2093 1 6 . 1 1 907 907 ARG C C 907 179.800 179.800 178.993 0.807 25899 2094 1 6 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.951 -0.481 25899 2095 1 6 . 1 1 907 907 ARG CB C 907 30.060 30.060 30.171 -0.111 25899 2096 1 6 . 1 1 907 907 ARG H H 907 7.946 7.946 8.655 -0.709 25899 2097 1 6 . 1 1 908 908 GLN N N 908 119.300 119.300 118.687 0.613 25899 2098 1 6 . 1 1 908 908 GLN HA H 908 4.269 4.269 3.951 0.318 25899 2099 1 6 . 1 1 908 908 GLN C C 908 178.400 178.400 178.302 0.098 25899 2100 1 6 . 1 1 908 908 GLN CA C 908 59.410 59.410 59.535 -0.125 25899 2101 1 6 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.559 0.901 25899 2102 1 6 . 1 1 908 908 GLN H H 908 8.639 8.639 8.176 0.463 25899 2103 1 6 . 1 1 909 909 GLU N N 909 120.300 120.300 119.833 0.467 25899 2104 1 6 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.069 -0.049 25899 2105 1 6 . 1 1 909 909 GLU C C 909 179.700 179.700 179.236 0.464 25899 2106 1 6 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.074 0.836 25899 2107 1 6 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.364 0.025 25899 2108 1 6 . 1 1 909 909 GLU H H 909 8.346 8.346 7.778 0.568 25899 2109 1 6 . 1 1 910 910 LEU N N 910 121.100 121.100 120.445 0.655 25899 2110 1 6 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.077 0.154 25899 2111 1 6 . 1 1 910 910 LEU C C 910 180.100 180.100 178.969 1.131 25899 2112 1 6 . 1 1 910 910 LEU CA C 910 58.370 58.370 58.207 0.163 25899 2113 1 6 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.608 -0.118 25899 2114 1 6 . 1 1 910 910 LEU H H 910 7.825 7.825 8.209 -0.384 25899 2115 1 6 . 1 1 911 911 SER N N 911 116.500 116.500 115.508 0.992 25899 2116 1 6 . 1 1 911 911 SER HA H 911 4.322 4.322 4.165 0.157 25899 2117 1 6 . 1 1 911 911 SER C C 911 177.300 177.300 176.914 0.386 25899 2118 1 6 . 1 1 911 911 SER CA C 911 62.340 62.340 62.047 0.293 25899 2119 1 6 . 1 1 911 911 SER CB C 911 62.990 62.990 62.795 0.195 25899 2120 1 6 . 1 1 911 911 SER H H 911 8.142 8.142 7.922 0.220 25899 2121 1 6 . 1 1 912 912 LEU N N 912 125.300 125.300 122.471 2.829 25899 2122 1 6 . 1 1 912 912 LEU HA H 912 4.213 4.213 4.017 0.196 25899 2123 1 6 . 1 1 912 912 LEU C C 912 179.500 179.500 179.074 0.426 25899 2124 1 6 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.007 0.383 25899 2125 1 6 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.833 -0.213 25899 2126 1 6 . 1 1 912 912 LEU H H 912 8.651 8.651 8.062 0.589 25899 2127 1 6 . 1 1 913 913 THR N N 913 120.000 120.000 116.050 3.950 25899 2128 1 6 . 1 1 913 913 THR HA H 913 3.983 3.983 3.938 0.045 25899 2129 1 6 . 1 1 913 913 THR C C 913 176.800 176.800 177.194 -0.394 25899 2130 1 6 . 1 1 913 913 THR CA C 913 67.130 67.130 67.303 -0.173 25899 2131 1 6 . 1 1 913 913 THR CB C 913 68.680 68.680 68.377 0.303 25899 2132 1 6 . 1 1 913 913 THR H H 913 8.419 8.419 7.889 0.530 25899 2133 1 6 . 1 1 914 914 GLU N N 914 122.200 122.200 121.384 0.816 25899 2134 1 6 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.102 -0.044 25899 2135 1 6 . 1 1 914 914 GLU C C 914 178.800 178.800 178.756 0.044 25899 2136 1 6 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.434 0.386 25899 2137 1 6 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.052 0.548 25899 2138 1 6 . 1 1 914 914 GLU H H 914 8.189 8.189 8.094 0.095 25899 2139 1 6 . 1 1 915 915 ALA N N 915 1.501 1.501 122.074 -120.573 25899 2140 1 6 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.081 0.136 25899 2141 1 6 . 1 1 915 915 ALA C C 915 180.700 180.700 179.846 0.854 25899 2142 1 6 . 1 1 915 915 ALA CA C 915 55.200 55.200 55.137 0.063 25899 2143 1 6 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.267 -0.367 25899 2144 1 6 . 1 1 915 915 ALA H H 915 8.315 8.315 8.469 -0.154 25899 2145 1 6 . 1 1 916 916 SER N N 916 115.000 115.000 115.596 -0.596 25899 2146 1 6 . 1 1 916 916 SER HA H 916 4.233 4.233 4.114 0.119 25899 2147 1 6 . 1 1 916 916 SER C C 916 176.700 176.700 176.739 -0.039 25899 2148 1 6 . 1 1 916 916 SER CA C 916 62.080 62.080 62.102 -0.022 25899 2149 1 6 . 1 1 916 916 SER CB C 916 62.710 62.710 62.995 -0.285 25899 2150 1 6 . 1 1 916 916 SER H H 916 8.238 8.238 8.335 -0.097 25899 2151 1 6 . 1 1 917 917 LEU N N 917 123.500 123.500 122.017 1.483 25899 2152 1 6 . 1 1 917 917 LEU HA H 917 4.113 4.113 3.925 0.188 25899 2153 1 6 . 1 1 917 917 LEU C C 917 180.000 180.000 178.767 1.233 25899 2154 1 6 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.950 0.230 25899 2155 1 6 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.577 0.063 25899 2156 1 6 . 1 1 917 917 LEU H H 917 7.880 7.880 7.737 0.143 25899 2157 1 6 . 1 1 918 918 GLN N N 918 119.000 119.000 118.258 0.742 25899 2158 1 6 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.985 0.115 25899 2159 1 6 . 1 1 918 918 GLN C C 918 178.900 178.900 178.767 0.133 25899 2160 1 6 . 1 1 918 918 GLN CA C 918 58.910 58.910 58.752 0.158 25899 2161 1 6 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.074 0.216 25899 2162 1 6 . 1 1 918 918 GLN H H 918 8.201 8.201 7.793 0.408 25899 2163 1 6 . 1 1 919 919 LYS N N 919 120.300 120.300 119.802 0.498 25899 2164 1 6 . 1 1 919 919 LYS HA H 919 3.883 3.883 4.058 -0.175 25899 2165 1 6 . 1 1 919 919 LYS C C 919 177.600 177.600 179.238 -1.638 25899 2166 1 6 . 1 1 919 919 LYS CA C 919 60.600 60.600 58.430 2.170 25899 2167 1 6 . 1 1 919 919 LYS CB C 919 32.380 32.380 31.926 0.454 25899 2168 1 6 . 1 1 919 919 LYS H H 919 8.191 8.191 7.670 0.521 25899 2169 1 6 . 1 1 920 920 LEU N N 920 119.100 119.100 120.217 -1.117 25899 2170 1 6 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.978 0.205 25899 2171 1 6 . 1 1 920 920 LEU C C 920 179.500 179.500 178.878 0.622 25899 2172 1 6 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.643 -0.373 25899 2173 1 6 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.489 0.361 25899 2174 1 6 . 1 1 920 920 LEU H H 920 7.738 7.738 7.930 -0.192 25899 2175 1 6 . 1 1 921 921 GLN N N 921 117.500 117.500 118.131 -0.631 25899 2176 1 6 . 1 1 921 921 GLN HA H 921 4.170 4.170 4.025 0.145 25899 2177 1 6 . 1 1 921 921 GLN C C 921 180.000 180.000 178.921 1.079 25899 2178 1 6 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.463 0.637 25899 2179 1 6 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.343 0.127 25899 2180 1 6 . 1 1 921 921 GLN H H 921 7.828 7.828 7.790 0.038 25899 2181 1 6 . 1 1 922 922 LEU N N 922 121.500 121.500 120.441 1.059 25899 2182 1 6 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.964 -0.000 25899 2183 1 6 . 1 1 922 922 LEU C C 922 178.700 178.700 178.909 -0.209 25899 2184 1 6 . 1 1 922 922 LEU CA C 922 58.160 58.160 58.345 -0.185 25899 2185 1 6 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.621 1.969 25899 2186 1 6 . 1 1 922 922 LEU H H 922 8.078 8.078 7.848 0.230 25899 2187 1 6 . 1 1 923 923 GLU N N 923 120.400 120.400 119.940 0.460 25899 2188 1 6 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.887 0.009 25899 2189 1 6 . 1 1 923 923 GLU C C 923 180.100 180.100 179.121 0.979 25899 2190 1 6 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.834 0.606 25899 2191 1 6 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.160 0.111 25899 2192 1 6 . 1 1 923 923 GLU H H 923 8.738 8.738 7.966 0.772 25899 2193 1 6 . 1 1 924 924 ASP N N 924 120.100 120.100 119.890 0.210 25899 2194 1 6 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.408 0.062 25899 2195 1 6 . 1 1 924 924 ASP C C 924 178.800 178.800 178.608 0.192 25899 2196 1 6 . 1 1 924 924 ASP CA C 924 57.490 57.490 57.056 0.434 25899 2197 1 6 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.267 0.223 25899 2198 1 6 . 1 1 924 924 ASP H H 924 8.102 8.102 7.878 0.224 25899 2199 1 6 . 1 1 925 925 LYS N N 925 122.500 122.500 121.653 0.847 25899 2200 1 6 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.048 0.172 25899 2201 1 6 . 1 1 925 925 LYS C C 925 178.700 178.700 178.977 -0.277 25899 2202 1 6 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.533 -0.913 25899 2203 1 6 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.569 -1.019 25899 2204 1 6 . 1 1 925 925 LYS H H 925 7.825 7.825 7.557 0.268 25899 2205 1 6 . 1 1 926 926 VAL N N 926 120.000 120.000 119.335 0.665 25899 2206 1 6 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.548 -0.112 25899 2207 1 6 . 1 1 926 926 VAL C C 926 177.300 177.300 177.670 -0.370 25899 2208 1 6 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.811 1.009 25899 2209 1 6 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.757 -0.057 25899 2210 1 6 . 1 1 926 926 VAL H H 926 8.578 8.578 8.265 0.313 25899 2211 1 6 . 1 1 927 927 GLU N N 927 118.000 118.000 120.399 -2.399 25899 2212 1 6 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.925 0.186 25899 2213 1 6 . 1 1 927 927 GLU C C 927 179.600 179.600 178.864 0.736 25899 2214 1 6 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.175 -0.235 25899 2215 1 6 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.497 -0.227 25899 2216 1 6 . 1 1 927 927 GLU H H 927 7.848 7.848 8.617 -0.769 25899 2217 1 6 . 1 1 928 928 GLU N N 928 120.900 120.900 119.513 1.387 25899 2218 1 6 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.072 0.040 25899 2219 1 6 . 1 1 928 928 GLU C C 928 179.700 179.700 179.375 0.325 25899 2220 1 6 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.210 0.280 25899 2221 1 6 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.736 0.084 25899 2222 1 6 . 1 1 928 928 GLU H H 928 8.139 8.139 8.314 -0.175 25899 2223 1 6 . 1 1 929 929 LEU N N 929 120.600 120.600 120.216 0.384 25899 2224 1 6 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.042 -0.017 25899 2225 1 6 . 1 1 929 929 LEU C C 929 179.600 179.600 178.997 0.603 25899 2226 1 6 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.910 0.150 25899 2227 1 6 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.850 1.510 25899 2228 1 6 . 1 1 929 929 LEU H H 929 8.557 8.557 8.334 0.223 25899 2229 1 6 . 1 1 930 930 LEU N N 930 122.000 122.000 120.110 1.890 25899 2230 1 6 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.901 0.166 25899 2231 1 6 . 1 1 930 930 LEU C C 930 180.000 180.000 178.481 1.519 25899 2232 1 6 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.446 -0.156 25899 2233 1 6 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.830 0.260 25899 2234 1 6 . 1 1 930 930 LEU H H 930 9.107 9.107 8.433 0.674 25899 2235 1 6 . 1 1 931 931 SER N N 931 114.800 114.800 114.860 -0.060 25899 2236 1 6 . 1 1 931 931 SER HA H 931 4.346 4.346 4.094 0.252 25899 2237 1 6 . 1 1 931 931 SER C C 931 177.700 177.700 177.019 0.681 25899 2238 1 6 . 1 1 931 931 SER CA C 931 61.790 61.790 61.563 0.227 25899 2239 1 6 . 1 1 931 931 SER CB C 931 62.830 62.830 62.941 -0.111 25899 2240 1 6 . 1 1 931 931 SER H H 931 7.883 7.883 8.105 -0.222 25899 2241 1 6 . 1 1 932 932 LYS N N 932 122.200 122.200 121.505 0.695 25899 2242 1 6 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.052 0.168 25899 2243 1 6 . 1 1 932 932 LYS C C 932 178.800 178.800 179.028 -0.228 25899 2244 1 6 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.722 0.058 25899 2245 1 6 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.371 0.409 25899 2246 1 6 . 1 1 932 932 LYS H H 932 8.202 8.202 7.776 0.426 25899 2247 1 6 . 1 1 933 933 ASN N N 933 119.500 119.500 118.623 0.877 25899 2248 1 6 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.473 -0.072 25899 2249 1 6 . 1 1 933 933 ASN C C 933 176.800 176.800 177.513 -0.713 25899 2250 1 6 . 1 1 933 933 ASN CA C 933 57.330 57.330 56.348 0.982 25899 2251 1 6 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.446 0.564 25899 2252 1 6 . 1 1 933 933 ASN H H 933 8.777 8.777 8.422 0.355 25899 2253 1 6 . 1 1 934 934 TYR N N 934 120.300 120.300 122.193 -1.893 25899 2254 1 6 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.200 0.172 25899 2255 1 6 . 1 1 934 934 TYR C C 934 178.200 178.200 177.722 0.478 25899 2256 1 6 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.638 -0.798 25899 2257 1 6 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.289 -0.359 25899 2258 1 6 . 1 1 934 934 TYR H H 934 8.236 8.236 8.569 -0.333 25899 2259 1 6 . 1 1 935 935 HIS N N 935 118.000 118.000 119.378 -1.378 25899 2260 1 6 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.168 0.185 25899 2261 1 6 . 1 1 935 935 HIS C C 935 178.600 178.600 177.605 0.995 25899 2262 1 6 . 1 1 935 935 HIS CA C 935 59.910 59.910 59.861 0.049 25899 2263 1 6 . 1 1 935 935 HIS CB C 935 29.790 29.790 29.745 0.045 25899 2264 1 6 . 1 1 935 935 HIS H H 935 7.817 7.817 7.902 -0.085 25899 2265 1 6 . 1 1 936 936 LEU N N 936 120.500 120.500 119.243 1.257 25899 2266 1 6 . 1 1 936 936 LEU HA H 936 4.123 4.123 4.012 0.111 25899 2267 1 6 . 1 1 936 936 LEU C C 936 178.900 178.900 179.035 -0.135 25899 2268 1 6 . 1 1 936 936 LEU CA C 936 58.220 58.220 57.403 0.817 25899 2269 1 6 . 1 1 936 936 LEU CB C 936 43.640 43.640 40.808 2.832 25899 2270 1 6 . 1 1 936 936 LEU H H 936 8.522 8.522 7.981 0.541 25899 2271 1 6 . 1 1 937 937 GLU N N 937 119.600 119.600 120.663 -1.063 25899 2272 1 6 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.812 0.099 25899 2273 1 6 . 1 1 937 937 GLU C C 937 180.300 180.300 178.872 1.428 25899 2274 1 6 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.925 0.354 25899 2275 1 6 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.383 -0.113 25899 2276 1 6 . 1 1 937 937 GLU H H 937 8.856 8.856 8.627 0.229 25899 2277 1 6 . 1 1 938 938 ASN N N 938 118.900 118.900 117.667 1.233 25899 2278 1 6 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.284 0.150 25899 2279 1 6 . 1 1 938 938 ASN C C 938 177.900 177.900 177.757 0.143 25899 2280 1 6 . 1 1 938 938 ASN CA C 938 56.100 56.100 56.272 -0.172 25899 2281 1 6 . 1 1 938 938 ASN CB C 938 38.010 38.010 38.324 -0.314 25899 2282 1 6 . 1 1 938 938 ASN H H 938 7.735 7.735 7.954 -0.219 25899 2283 1 6 . 1 1 939 939 GLU N N 939 123.800 123.800 120.834 2.966 25899 2284 1 6 . 1 1 939 939 GLU HA H 939 4.442 4.442 3.937 0.505 25899 2285 1 6 . 1 1 939 939 GLU C C 939 178.400 178.400 179.090 -0.690 25899 2286 1 6 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.248 -0.538 25899 2287 1 6 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.699 0.431 25899 2288 1 6 . 1 1 939 939 GLU H H 939 8.098 8.098 7.587 0.511 25899 2289 1 6 . 1 1 940 940 VAL N N 940 120.000 120.000 119.593 0.407 25899 2290 1 6 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.671 -0.271 25899 2291 1 6 . 1 1 940 940 VAL C C 940 177.400 177.400 178.057 -0.657 25899 2292 1 6 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.219 1.501 25899 2293 1 6 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.011 0.619 25899 2294 1 6 . 1 1 940 940 VAL H H 940 8.669 8.669 8.417 0.252 25899 2295 1 6 . 1 1 941 941 ALA N N 941 119.800 119.800 121.922 -2.122 25899 2296 1 6 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.938 0.076 25899 2297 1 6 . 1 1 941 941 ALA C C 941 180.500 180.500 179.343 1.157 25899 2298 1 6 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.318 0.083 25899 2299 1 6 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.106 -0.076 25899 2300 1 6 . 1 1 941 941 ALA H H 941 7.725 7.725 8.461 -0.736 25899 2301 1 6 . 1 1 942 942 ARG N N 942 119.400 119.400 119.159 0.241 25899 2302 1 6 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.020 -0.055 25899 2303 1 6 . 1 1 942 942 ARG C C 942 179.300 179.300 178.710 0.590 25899 2304 1 6 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.188 0.332 25899 2305 1 6 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.119 0.622 25899 2306 1 6 . 1 1 942 942 ARG H H 942 7.904 7.904 7.578 0.326 25899 2307 1 6 . 1 1 943 943 LEU N N 943 120.100 120.100 119.555 0.545 25899 2308 1 6 . 1 1 943 943 LEU HA H 943 3.972 3.972 3.971 0.001 25899 2309 1 6 . 1 1 943 943 LEU C C 943 179.300 179.300 178.904 0.396 25899 2310 1 6 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.505 0.575 25899 2311 1 6 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.804 2.136 25899 2312 1 6 . 1 1 943 943 LEU H H 943 8.417 8.417 7.620 0.797 25899 2313 1 6 . 1 1 944 944 LYS N N 944 118.700 118.700 119.285 -0.585 25899 2314 1 6 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.904 -0.080 25899 2315 1 6 . 1 1 944 944 LYS C C 944 179.500 179.500 178.807 0.693 25899 2316 1 6 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.884 0.916 25899 2317 1 6 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.112 0.348 25899 2318 1 6 . 1 1 944 944 LYS H H 944 8.955 8.955 8.348 0.607 25899 2319 1 6 . 1 1 945 945 LYS N N 945 117.000 117.000 118.744 -1.744 25899 2320 1 6 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.194 -0.030 25899 2321 1 6 . 1 1 945 945 LYS C C 945 179.000 179.000 178.977 0.023 25899 2322 1 6 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.019 -0.349 25899 2323 1 6 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.224 0.046 25899 2324 1 6 . 1 1 945 945 LYS H H 945 7.291 7.291 7.811 -0.520 25899 2325 1 6 . 1 1 946 946 LEU N N 946 118.700 118.700 118.794 -0.094 25899 2326 1 6 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.020 0.183 25899 2327 1 6 . 1 1 946 946 LEU C C 946 179.000 179.000 178.956 0.044 25899 2328 1 6 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.153 -0.033 25899 2329 1 6 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.715 0.965 25899 2330 1 6 . 1 1 946 946 LEU H H 946 7.441 7.441 7.480 -0.039 25899 2331 1 6 . 1 1 947 947 VAL N N 947 113.800 113.800 116.291 -2.491 25899 2332 1 6 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.845 0.303 25899 2333 1 6 . 1 1 947 947 VAL C C 947 176.600 176.600 176.793 -0.193 25899 2334 1 6 . 1 1 947 947 VAL CA C 947 62.750 62.750 64.365 -1.615 25899 2335 1 6 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.258 0.362 25899 2336 1 6 . 1 1 947 947 VAL H H 947 7.677 7.677 7.534 0.143 25899 2337 1 6 . 1 1 948 948 GLY N N 948 109.600 109.600 105.493 4.107 25899 2338 1 6 . 1 1 948 948 GLY C C 948 174.200 174.200 172.726 1.474 25899 2339 1 6 . 1 1 948 948 GLY CA C 948 46.020 46.020 46.032 -0.012 25899 2340 1 6 . 1 1 948 948 GLY H H 948 7.853 7.853 8.535 -0.682 25899 2341 1 7 . 1 1 883 883 HIS C C 883 175.500 175.500 177.232 -1.732 25899 2342 1 7 . 1 1 883 883 HIS CA C 883 56.720 56.720 59.098 -2.378 25899 2343 1 7 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.676 0.364 25899 2344 1 7 . 1 1 884 884 GLU N N 884 121.300 121.300 117.990 3.310 25899 2345 1 7 . 1 1 884 884 GLU HA H 884 4.223 4.223 3.978 0.245 25899 2346 1 7 . 1 1 884 884 GLU C C 884 176.600 176.600 177.941 -1.341 25899 2347 1 7 . 1 1 884 884 GLU CA C 884 57.510 57.510 59.116 -1.606 25899 2348 1 7 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.170 0.880 25899 2349 1 7 . 1 1 884 884 GLU H H 884 8.428 8.428 8.998 -0.570 25899 2350 1 7 . 1 1 885 885 ASN N N 885 119.500 119.500 118.120 1.380 25899 2351 1 7 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.364 0.326 25899 2352 1 7 . 1 1 885 885 ASN C C 885 175.900 175.900 177.454 -1.554 25899 2353 1 7 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.602 -1.842 25899 2354 1 7 . 1 1 885 885 ASN CB C 885 38.730 38.730 38.307 0.423 25899 2355 1 7 . 1 1 885 885 ASN H H 885 8.474 8.474 7.742 0.732 25899 2356 1 7 . 1 1 886 886 LYS N N 886 121.700 121.700 119.864 1.836 25899 2357 1 7 . 1 1 886 886 LYS HA H 886 4.230 4.230 3.848 0.382 25899 2358 1 7 . 1 1 886 886 LYS C C 886 177.700 177.700 178.441 -0.741 25899 2359 1 7 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.992 -2.252 25899 2360 1 7 . 1 1 886 886 LYS CB C 886 32.560 32.560 31.963 0.597 25899 2361 1 7 . 1 1 886 886 LYS H H 886 8.311 8.311 8.038 0.273 25899 2362 1 7 . 1 1 887 887 GLN N N 887 119.600 119.600 119.584 0.016 25899 2363 1 7 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.052 0.187 25899 2364 1 7 . 1 1 887 887 GLN C C 887 177.200 177.200 178.291 -1.091 25899 2365 1 7 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.948 -0.718 25899 2366 1 7 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.540 0.370 25899 2367 1 7 . 1 1 887 887 GLN H H 887 8.247 8.247 7.573 0.674 25899 2368 1 7 . 1 1 888 888 VAL N N 888 119.100 119.100 119.786 -0.686 25899 2369 1 7 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.614 0.168 25899 2370 1 7 . 1 1 888 888 VAL C C 888 177.600 177.600 178.317 -0.717 25899 2371 1 7 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.793 -1.473 25899 2372 1 7 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.408 0.582 25899 2373 1 7 . 1 1 888 888 VAL H H 888 7.843 7.843 7.947 -0.104 25899 2374 1 7 . 1 1 889 889 GLU N N 889 120.400 120.400 119.020 1.380 25899 2375 1 7 . 1 1 889 889 GLU HA H 889 3.978 3.978 4.001 -0.023 25899 2376 1 7 . 1 1 889 889 GLU C C 889 178.900 178.900 179.187 -0.287 25899 2377 1 7 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.493 0.147 25899 2378 1 7 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.162 0.308 25899 2379 1 7 . 1 1 889 889 GLU H H 889 8.090 8.090 8.634 -0.544 25899 2380 1 7 . 1 1 890 890 GLU N N 890 120.700 120.700 120.395 0.305 25899 2381 1 7 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.096 0.168 25899 2382 1 7 . 1 1 890 890 GLU C C 890 178.200 178.200 179.083 -0.883 25899 2383 1 7 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.080 0.040 25899 2384 1 7 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.182 0.488 25899 2385 1 7 . 1 1 890 890 GLU H H 890 8.133 8.133 8.118 0.015 25899 2386 1 7 . 1 1 891 891 ILE N N 891 119.400 119.400 120.640 -1.240 25899 2387 1 7 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.744 -0.193 25899 2388 1 7 . 1 1 891 891 ILE C C 891 177.400 177.400 177.923 -0.523 25899 2389 1 7 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.706 1.114 25899 2390 1 7 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.864 0.036 25899 2391 1 7 . 1 1 891 891 ILE H H 891 7.799 7.799 7.816 -0.017 25899 2392 1 7 . 1 1 892 892 LEU N N 892 118.400 118.400 120.202 -1.802 25899 2393 1 7 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.848 0.260 25899 2394 1 7 . 1 1 892 892 LEU C C 892 180.100 180.100 179.138 0.962 25899 2395 1 7 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.332 -0.262 25899 2396 1 7 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.306 0.384 25899 2397 1 7 . 1 1 892 892 LEU H H 892 7.814 7.814 7.910 -0.096 25899 2398 1 7 . 1 1 893 893 ARG N N 893 119.900 119.900 118.782 1.118 25899 2399 1 7 . 1 1 893 893 ARG HA H 893 4.029 4.029 4.007 0.022 25899 2400 1 7 . 1 1 893 893 ARG C C 893 179.500 179.500 178.946 0.554 25899 2401 1 7 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.486 0.304 25899 2402 1 7 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.025 0.115 25899 2403 1 7 . 1 1 893 893 ARG H H 893 7.918 7.918 7.718 0.200 25899 2404 1 7 . 1 1 894 894 LEU N N 894 121.300 121.300 120.113 1.187 25899 2405 1 7 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.013 0.062 25899 2406 1 7 . 1 1 894 894 LEU C C 894 179.200 179.200 178.929 0.271 25899 2407 1 7 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.835 0.295 25899 2408 1 7 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.535 0.974 25899 2409 1 7 . 1 1 894 894 LEU H H 894 8.236 8.236 7.838 0.398 25899 2410 1 7 . 1 1 895 895 GLU N N 895 118.200 118.200 119.722 -1.522 25899 2411 1 7 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.933 0.029 25899 2412 1 7 . 1 1 895 895 GLU C C 895 180.100 180.100 179.164 0.936 25899 2413 1 7 . 1 1 895 895 GLU CA C 895 60.270 60.270 59.992 0.278 25899 2414 1 7 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.189 0.311 25899 2415 1 7 . 1 1 895 895 GLU H H 895 8.780 8.780 8.214 0.566 25899 2416 1 7 . 1 1 896 896 LYS N N 896 120.600 120.600 119.487 1.113 25899 2417 1 7 . 1 1 896 896 LYS C C 896 178.300 178.300 179.274 -0.974 25899 2418 1 7 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.784 -0.804 25899 2419 1 7 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.468 -0.627 25899 2420 1 7 . 1 1 896 896 LYS H H 896 7.884 7.884 7.689 0.195 25899 2421 1 7 . 1 1 897 897 GLU N N 897 121.100 121.100 119.585 1.515 25899 2422 1 7 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.068 0.087 25899 2423 1 7 . 1 1 897 897 GLU C C 897 179.800 179.800 179.111 0.689 25899 2424 1 7 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.396 0.474 25899 2425 1 7 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.653 -0.423 25899 2426 1 7 . 1 1 897 897 GLU H H 897 7.913 7.913 7.723 0.190 25899 2427 1 7 . 1 1 898 898 ILE N N 898 120.000 120.000 120.388 -0.388 25899 2428 1 7 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.740 -0.205 25899 2429 1 7 . 1 1 898 898 ILE C C 898 177.300 177.300 177.985 -0.685 25899 2430 1 7 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.749 1.551 25899 2431 1 7 . 1 1 898 898 ILE CB C 898 38.130 38.130 37.258 0.872 25899 2432 1 7 . 1 1 898 898 ILE H H 898 8.274 8.274 8.636 -0.362 25899 2433 1 7 . 1 1 899 899 GLU N N 899 120.400 120.400 120.416 -0.016 25899 2434 1 7 . 1 1 899 899 GLU HA H 899 4.024 4.024 3.894 0.130 25899 2435 1 7 . 1 1 899 899 GLU C C 899 179.400 179.400 178.598 0.802 25899 2436 1 7 . 1 1 899 899 GLU CA C 899 59.890 59.890 60.057 -0.167 25899 2437 1 7 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.441 0.089 25899 2438 1 7 . 1 1 899 899 GLU H H 899 7.891 7.891 8.609 -0.718 25899 2439 1 7 . 1 1 900 900 ASP N N 900 119.600 119.600 120.478 -0.878 25899 2440 1 7 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.411 0.053 25899 2441 1 7 . 1 1 900 900 ASP C C 900 179.800 179.800 178.676 1.124 25899 2442 1 7 . 1 1 900 900 ASP CA C 900 57.710 57.710 56.871 0.839 25899 2443 1 7 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.674 -0.114 25899 2444 1 7 . 1 1 900 900 ASP H H 900 8.231 8.231 7.767 0.464 25899 2445 1 7 . 1 1 901 901 LEU N N 901 122.200 122.200 120.554 1.646 25899 2446 1 7 . 1 1 901 901 LEU HA H 901 4.122 4.122 3.906 0.216 25899 2447 1 7 . 1 1 901 901 LEU C C 901 179.900 179.900 179.316 0.584 25899 2448 1 7 . 1 1 901 901 LEU CA C 901 58.370 58.370 57.773 0.597 25899 2449 1 7 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.787 1.963 25899 2450 1 7 . 1 1 901 901 LEU H H 901 8.470 8.470 7.815 0.655 25899 2451 1 7 . 1 1 902 902 GLN N N 902 121.000 121.000 118.321 2.679 25899 2452 1 7 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.987 0.106 25899 2453 1 7 . 1 1 902 902 GLN C C 902 179.100 179.100 178.917 0.183 25899 2454 1 7 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.099 0.321 25899 2455 1 7 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.130 -0.330 25899 2456 1 7 . 1 1 902 902 GLN H H 902 9.079 9.079 8.235 0.844 25899 2457 1 7 . 1 1 903 903 ARG N N 903 119.900 119.900 119.140 0.760 25899 2458 1 7 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.076 0.124 25899 2459 1 7 . 1 1 903 903 ARG C C 903 179.800 179.800 179.115 0.685 25899 2460 1 7 . 1 1 903 903 ARG CA C 903 59.440 59.440 59.576 -0.136 25899 2461 1 7 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.192 0.088 25899 2462 1 7 . 1 1 903 903 ARG H H 903 8.107 8.107 8.072 0.035 25899 2463 1 7 . 1 1 904 904 MET N N 904 119.500 119.500 118.873 0.627 25899 2464 1 7 . 1 1 904 904 MET HA H 904 4.218 4.218 4.205 0.013 25899 2465 1 7 . 1 1 904 904 MET C C 904 177.800 177.800 178.319 -0.519 25899 2466 1 7 . 1 1 904 904 MET CA C 904 58.590 58.590 57.654 0.937 25899 2467 1 7 . 1 1 904 904 MET CB C 904 32.280 32.280 31.727 0.552 25899 2468 1 7 . 1 1 904 904 MET H H 904 8.005 8.005 8.453 -0.448 25899 2469 1 7 . 1 1 905 905 LYS N N 905 121.900 121.900 120.224 1.676 25899 2470 1 7 . 1 1 905 905 LYS HA H 905 4.369 4.369 3.968 0.401 25899 2471 1 7 . 1 1 905 905 LYS C C 905 179.300 179.300 178.542 0.758 25899 2472 1 7 . 1 1 905 905 LYS CA C 905 59.290 59.290 59.968 -0.678 25899 2473 1 7 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.333 0.087 25899 2474 1 7 . 1 1 905 905 LYS H H 905 8.465 8.465 8.474 -0.009 25899 2475 1 7 . 1 1 906 906 GLU N N 906 119.200 119.200 119.407 -0.207 25899 2476 1 7 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.047 0.105 25899 2477 1 7 . 1 1 906 906 GLU C C 906 179.400 179.400 179.077 0.323 25899 2478 1 7 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.154 0.206 25899 2479 1 7 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.580 0.040 25899 2480 1 7 . 1 1 906 906 GLU H H 906 8.013 8.013 8.153 -0.140 25899 2481 1 7 . 1 1 907 907 ARG N N 907 120.000 120.000 119.269 0.731 25899 2482 1 7 . 1 1 907 907 ARG HA H 907 4.161 4.161 4.030 0.131 25899 2483 1 7 . 1 1 907 907 ARG C C 907 179.800 179.800 179.138 0.662 25899 2484 1 7 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.065 0.405 25899 2485 1 7 . 1 1 907 907 ARG CB C 907 30.060 30.060 29.814 0.246 25899 2486 1 7 . 1 1 907 907 ARG H H 907 7.946 7.946 8.430 -0.484 25899 2487 1 7 . 1 1 908 908 GLN N N 908 119.300 119.300 118.051 1.249 25899 2488 1 7 . 1 1 908 908 GLN HA H 908 4.269 4.269 4.118 0.151 25899 2489 1 7 . 1 1 908 908 GLN C C 908 178.400 178.400 178.565 -0.165 25899 2490 1 7 . 1 1 908 908 GLN CA C 908 59.410 59.410 58.530 0.880 25899 2491 1 7 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.261 1.199 25899 2492 1 7 . 1 1 908 908 GLN H H 908 8.639 8.639 8.035 0.604 25899 2493 1 7 . 1 1 909 909 GLU N N 909 120.300 120.300 120.698 -0.398 25899 2494 1 7 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.043 -0.023 25899 2495 1 7 . 1 1 909 909 GLU C C 909 179.700 179.700 179.295 0.405 25899 2496 1 7 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.290 0.620 25899 2497 1 7 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.461 -0.071 25899 2498 1 7 . 1 1 909 909 GLU H H 909 8.346 8.346 7.839 0.507 25899 2499 1 7 . 1 1 910 910 LEU N N 910 121.100 121.100 119.994 1.106 25899 2500 1 7 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.002 0.229 25899 2501 1 7 . 1 1 910 910 LEU C C 910 180.100 180.100 179.051 1.049 25899 2502 1 7 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.947 0.423 25899 2503 1 7 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.807 -0.317 25899 2504 1 7 . 1 1 910 910 LEU H H 910 7.825 7.825 8.220 -0.395 25899 2505 1 7 . 1 1 911 911 SER N N 911 116.500 116.500 115.660 0.840 25899 2506 1 7 . 1 1 911 911 SER HA H 911 4.322 4.322 4.136 0.186 25899 2507 1 7 . 1 1 911 911 SER C C 911 177.300 177.300 176.712 0.588 25899 2508 1 7 . 1 1 911 911 SER CA C 911 62.340 62.340 62.396 -0.056 25899 2509 1 7 . 1 1 911 911 SER CB C 911 62.990 62.990 63.004 -0.014 25899 2510 1 7 . 1 1 911 911 SER H H 911 8.142 8.142 7.773 0.369 25899 2511 1 7 . 1 1 912 912 LEU N N 912 125.300 125.300 122.221 3.079 25899 2512 1 7 . 1 1 912 912 LEU HA H 912 4.213 4.213 3.965 0.248 25899 2513 1 7 . 1 1 912 912 LEU C C 912 179.500 179.500 178.732 0.768 25899 2514 1 7 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.304 0.086 25899 2515 1 7 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.721 -0.101 25899 2516 1 7 . 1 1 912 912 LEU H H 912 8.651 8.651 7.799 0.852 25899 2517 1 7 . 1 1 913 913 THR N N 913 120.000 120.000 115.865 4.135 25899 2518 1 7 . 1 1 913 913 THR HA H 913 3.983 3.983 3.908 0.075 25899 2519 1 7 . 1 1 913 913 THR C C 913 176.800 176.800 177.057 -0.257 25899 2520 1 7 . 1 1 913 913 THR CA C 913 67.130 67.130 67.379 -0.249 25899 2521 1 7 . 1 1 913 913 THR CB C 913 68.680 68.680 68.425 0.255 25899 2522 1 7 . 1 1 913 913 THR H H 913 8.419 8.419 7.815 0.604 25899 2523 1 7 . 1 1 914 914 GLU N N 914 122.200 122.200 121.206 0.994 25899 2524 1 7 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.057 0.001 25899 2525 1 7 . 1 1 914 914 GLU C C 914 178.800 178.800 178.782 0.018 25899 2526 1 7 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.225 0.595 25899 2527 1 7 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.380 0.221 25899 2528 1 7 . 1 1 914 914 GLU H H 914 8.189 8.189 8.053 0.136 25899 2529 1 7 . 1 1 915 915 ALA N N 915 1.501 1.501 123.075 -121.574 25899 2530 1 7 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.298 -0.081 25899 2531 1 7 . 1 1 915 915 ALA C C 915 180.700 180.700 179.645 1.055 25899 2532 1 7 . 1 1 915 915 ALA CA C 915 55.200 55.200 54.863 0.337 25899 2533 1 7 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.443 -0.543 25899 2534 1 7 . 1 1 915 915 ALA H H 915 8.315 8.315 8.387 -0.072 25899 2535 1 7 . 1 1 916 916 SER N N 916 115.000 115.000 114.729 0.271 25899 2536 1 7 . 1 1 916 916 SER HA H 916 4.233 4.233 4.207 0.026 25899 2537 1 7 . 1 1 916 916 SER C C 916 176.700 176.700 176.707 -0.007 25899 2538 1 7 . 1 1 916 916 SER CA C 916 62.080 62.080 61.718 0.362 25899 2539 1 7 . 1 1 916 916 SER CB C 916 62.710 62.710 63.203 -0.493 25899 2540 1 7 . 1 1 916 916 SER H H 916 8.238 8.238 7.940 0.298 25899 2541 1 7 . 1 1 917 917 LEU N N 917 123.500 123.500 121.805 1.695 25899 2542 1 7 . 1 1 917 917 LEU HA H 917 4.113 4.113 4.017 0.096 25899 2543 1 7 . 1 1 917 917 LEU C C 917 180.000 180.000 178.990 1.010 25899 2544 1 7 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.951 0.229 25899 2545 1 7 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.167 0.473 25899 2546 1 7 . 1 1 917 917 LEU H H 917 7.880 7.880 7.763 0.117 25899 2547 1 7 . 1 1 918 918 GLN N N 918 119.000 119.000 118.455 0.545 25899 2548 1 7 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.921 0.179 25899 2549 1 7 . 1 1 918 918 GLN C C 918 178.900 178.900 178.508 0.392 25899 2550 1 7 . 1 1 918 918 GLN CA C 918 58.910 58.910 59.361 -0.451 25899 2551 1 7 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.439 -0.148 25899 2552 1 7 . 1 1 918 918 GLN H H 918 8.201 8.201 8.317 -0.116 25899 2553 1 7 . 1 1 919 919 LYS N N 919 120.300 120.300 120.211 0.089 25899 2554 1 7 . 1 1 919 919 LYS HA H 919 3.883 3.883 3.997 -0.114 25899 2555 1 7 . 1 1 919 919 LYS C C 919 177.600 177.600 179.229 -1.629 25899 2556 1 7 . 1 1 919 919 LYS CA C 919 60.600 60.600 59.539 1.061 25899 2557 1 7 . 1 1 919 919 LYS CB C 919 32.380 32.380 32.229 0.151 25899 2558 1 7 . 1 1 919 919 LYS H H 919 8.191 8.191 7.728 0.463 25899 2559 1 7 . 1 1 920 920 LEU N N 920 119.100 119.100 119.723 -0.623 25899 2560 1 7 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.961 0.222 25899 2561 1 7 . 1 1 920 920 LEU C C 920 179.500 179.500 178.858 0.642 25899 2562 1 7 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.595 -0.325 25899 2563 1 7 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.540 0.310 25899 2564 1 7 . 1 1 920 920 LEU H H 920 7.738 7.738 7.765 -0.027 25899 2565 1 7 . 1 1 921 921 GLN N N 921 117.500 117.500 118.214 -0.714 25899 2566 1 7 . 1 1 921 921 GLN HA H 921 4.170 4.170 4.015 0.155 25899 2567 1 7 . 1 1 921 921 GLN C C 921 180.000 180.000 178.816 1.184 25899 2568 1 7 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.279 0.820 25899 2569 1 7 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.255 0.215 25899 2570 1 7 . 1 1 921 921 GLN H H 921 7.828 7.828 7.700 0.128 25899 2571 1 7 . 1 1 922 922 LEU N N 922 121.500 121.500 120.091 1.409 25899 2572 1 7 . 1 1 922 922 LEU HA H 922 3.964 3.964 4.023 -0.059 25899 2573 1 7 . 1 1 922 922 LEU C C 922 178.700 178.700 179.051 -0.351 25899 2574 1 7 . 1 1 922 922 LEU CA C 922 58.160 58.160 57.757 0.403 25899 2575 1 7 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.059 2.531 25899 2576 1 7 . 1 1 922 922 LEU H H 922 8.078 8.078 7.807 0.271 25899 2577 1 7 . 1 1 923 923 GLU N N 923 120.400 120.400 120.026 0.374 25899 2578 1 7 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.902 -0.006 25899 2579 1 7 . 1 1 923 923 GLU C C 923 180.100 180.100 179.057 1.043 25899 2580 1 7 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.905 0.535 25899 2581 1 7 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.186 0.084 25899 2582 1 7 . 1 1 923 923 GLU H H 923 8.738 8.738 8.003 0.735 25899 2583 1 7 . 1 1 924 924 ASP N N 924 120.100 120.100 119.982 0.118 25899 2584 1 7 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.445 0.025 25899 2585 1 7 . 1 1 924 924 ASP C C 924 178.800 178.800 178.779 0.021 25899 2586 1 7 . 1 1 924 924 ASP CA C 924 57.490 57.490 56.975 0.515 25899 2587 1 7 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.283 0.207 25899 2588 1 7 . 1 1 924 924 ASP H H 924 8.102 8.102 7.886 0.216 25899 2589 1 7 . 1 1 925 925 LYS N N 925 122.500 122.500 120.641 1.859 25899 2590 1 7 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.073 0.147 25899 2591 1 7 . 1 1 925 925 LYS C C 925 178.700 178.700 179.233 -0.533 25899 2592 1 7 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.615 -0.995 25899 2593 1 7 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.711 -1.161 25899 2594 1 7 . 1 1 925 925 LYS H H 925 7.825 7.825 7.584 0.241 25899 2595 1 7 . 1 1 926 926 VAL N N 926 120.000 120.000 119.866 0.134 25899 2596 1 7 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.566 -0.130 25899 2597 1 7 . 1 1 926 926 VAL C C 926 177.300 177.300 177.651 -0.351 25899 2598 1 7 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.968 0.852 25899 2599 1 7 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.648 0.052 25899 2600 1 7 . 1 1 926 926 VAL H H 926 8.578 8.578 8.572 0.006 25899 2601 1 7 . 1 1 927 927 GLU N N 927 118.000 118.000 120.431 -2.431 25899 2602 1 7 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.833 0.279 25899 2603 1 7 . 1 1 927 927 GLU C C 927 179.600 179.600 178.724 0.876 25899 2604 1 7 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.157 -0.217 25899 2605 1 7 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.526 -0.256 25899 2606 1 7 . 1 1 927 927 GLU H H 927 7.848 7.848 8.673 -0.825 25899 2607 1 7 . 1 1 928 928 GLU N N 928 120.900 120.900 119.033 1.867 25899 2608 1 7 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.116 -0.004 25899 2609 1 7 . 1 1 928 928 GLU C C 928 179.700 179.700 179.426 0.274 25899 2610 1 7 . 1 1 928 928 GLU CA C 928 59.490 59.490 58.997 0.493 25899 2611 1 7 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.503 0.317 25899 2612 1 7 . 1 1 928 928 GLU H H 928 8.139 8.139 7.888 0.251 25899 2613 1 7 . 1 1 929 929 LEU N N 929 120.600 120.600 120.641 -0.041 25899 2614 1 7 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.046 -0.021 25899 2615 1 7 . 1 1 929 929 LEU C C 929 179.600 179.600 179.253 0.347 25899 2616 1 7 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.813 0.247 25899 2617 1 7 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.839 1.521 25899 2618 1 7 . 1 1 929 929 LEU H H 929 8.557 8.557 8.444 0.113 25899 2619 1 7 . 1 1 930 930 LEU N N 930 122.000 122.000 120.680 1.320 25899 2620 1 7 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.951 0.116 25899 2621 1 7 . 1 1 930 930 LEU C C 930 180.000 180.000 178.493 1.507 25899 2622 1 7 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.661 -0.371 25899 2623 1 7 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.864 0.227 25899 2624 1 7 . 1 1 930 930 LEU H H 930 9.107 9.107 8.816 0.291 25899 2625 1 7 . 1 1 931 931 SER N N 931 114.800 114.800 115.510 -0.710 25899 2626 1 7 . 1 1 931 931 SER HA H 931 4.346 4.346 4.152 0.194 25899 2627 1 7 . 1 1 931 931 SER C C 931 177.700 177.700 176.711 0.989 25899 2628 1 7 . 1 1 931 931 SER CA C 931 61.790 61.790 62.608 -0.818 25899 2629 1 7 . 1 1 931 931 SER CB C 931 62.830 62.830 62.841 -0.011 25899 2630 1 7 . 1 1 931 931 SER H H 931 7.883 7.883 7.972 -0.089 25899 2631 1 7 . 1 1 932 932 LYS N N 932 122.200 122.200 121.789 0.411 25899 2632 1 7 . 1 1 932 932 LYS HA H 932 4.220 4.220 3.990 0.230 25899 2633 1 7 . 1 1 932 932 LYS C C 932 178.800 178.800 178.643 0.157 25899 2634 1 7 . 1 1 932 932 LYS CA C 932 59.780 59.780 60.045 -0.265 25899 2635 1 7 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.315 0.465 25899 2636 1 7 . 1 1 932 932 LYS H H 932 8.202 8.202 8.304 -0.102 25899 2637 1 7 . 1 1 933 933 ASN N N 933 119.500 119.500 118.445 1.055 25899 2638 1 7 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.483 -0.082 25899 2639 1 7 . 1 1 933 933 ASN C C 933 176.800 176.800 177.341 -0.541 25899 2640 1 7 . 1 1 933 933 ASN CA C 933 57.330 57.330 55.879 1.452 25899 2641 1 7 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.346 0.664 25899 2642 1 7 . 1 1 933 933 ASN H H 933 8.777 8.777 8.438 0.339 25899 2643 1 7 . 1 1 934 934 TYR N N 934 120.300 120.300 121.598 -1.298 25899 2644 1 7 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.376 -0.004 25899 2645 1 7 . 1 1 934 934 TYR C C 934 178.200 178.200 177.895 0.305 25899 2646 1 7 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.870 -1.030 25899 2647 1 7 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.334 -0.404 25899 2648 1 7 . 1 1 934 934 TYR H H 934 8.236 8.236 8.477 -0.241 25899 2649 1 7 . 1 1 935 935 HIS N N 935 118.000 118.000 119.260 -1.260 25899 2650 1 7 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.186 0.167 25899 2651 1 7 . 1 1 935 935 HIS C C 935 178.600 178.600 177.423 1.177 25899 2652 1 7 . 1 1 935 935 HIS CA C 935 59.910 59.910 60.027 -0.117 25899 2653 1 7 . 1 1 935 935 HIS CB C 935 29.790 29.790 29.838 -0.048 25899 2654 1 7 . 1 1 935 935 HIS H H 935 7.817 7.817 7.923 -0.106 25899 2655 1 7 . 1 1 936 936 LEU N N 936 120.500 120.500 120.071 0.429 25899 2656 1 7 . 1 1 936 936 LEU HA H 936 4.123 4.123 3.919 0.204 25899 2657 1 7 . 1 1 936 936 LEU C C 936 178.900 178.900 178.982 -0.082 25899 2658 1 7 . 1 1 936 936 LEU CA C 936 58.220 58.220 58.307 -0.087 25899 2659 1 7 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.644 1.996 25899 2660 1 7 . 1 1 936 936 LEU H H 936 8.522 8.522 8.433 0.089 25899 2661 1 7 . 1 1 937 937 GLU N N 937 119.600 119.600 120.000 -0.400 25899 2662 1 7 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.828 0.083 25899 2663 1 7 . 1 1 937 937 GLU C C 937 180.300 180.300 179.245 1.055 25899 2664 1 7 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.818 0.462 25899 2665 1 7 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.190 0.080 25899 2666 1 7 . 1 1 937 937 GLU H H 937 8.856 8.856 8.598 0.258 25899 2667 1 7 . 1 1 938 938 ASN N N 938 118.900 118.900 117.899 1.001 25899 2668 1 7 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.311 0.123 25899 2669 1 7 . 1 1 938 938 ASN C C 938 177.900 177.900 177.963 -0.063 25899 2670 1 7 . 1 1 938 938 ASN CA C 938 56.100 56.100 55.823 0.277 25899 2671 1 7 . 1 1 938 938 ASN CB C 938 38.010 38.010 37.786 0.224 25899 2672 1 7 . 1 1 938 938 ASN H H 938 7.735 7.735 7.907 -0.172 25899 2673 1 7 . 1 1 939 939 GLU N N 939 123.800 123.800 120.826 2.974 25899 2674 1 7 . 1 1 939 939 GLU HA H 939 4.442 4.442 3.988 0.454 25899 2675 1 7 . 1 1 939 939 GLU C C 939 178.400 178.400 178.991 -0.591 25899 2676 1 7 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.230 -0.520 25899 2677 1 7 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.789 0.341 25899 2678 1 7 . 1 1 939 939 GLU H H 939 8.098 8.098 7.609 0.489 25899 2679 1 7 . 1 1 940 940 VAL N N 940 120.000 120.000 119.792 0.208 25899 2680 1 7 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.660 -0.260 25899 2681 1 7 . 1 1 940 940 VAL C C 940 177.400 177.400 178.113 -0.713 25899 2682 1 7 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.283 1.437 25899 2683 1 7 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.029 0.601 25899 2684 1 7 . 1 1 940 940 VAL H H 940 8.669 8.669 8.448 0.221 25899 2685 1 7 . 1 1 941 941 ALA N N 941 119.800 119.800 121.965 -2.165 25899 2686 1 7 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.903 0.111 25899 2687 1 7 . 1 1 941 941 ALA C C 941 180.500 180.500 179.014 1.486 25899 2688 1 7 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.307 0.093 25899 2689 1 7 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.140 -0.110 25899 2690 1 7 . 1 1 941 941 ALA H H 941 7.725 7.725 8.538 -0.813 25899 2691 1 7 . 1 1 942 942 ARG N N 942 119.400 119.400 119.193 0.207 25899 2692 1 7 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.022 -0.057 25899 2693 1 7 . 1 1 942 942 ARG C C 942 179.300 179.300 178.731 0.569 25899 2694 1 7 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.175 0.345 25899 2695 1 7 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.120 0.620 25899 2696 1 7 . 1 1 942 942 ARG H H 942 7.904 7.904 7.501 0.403 25899 2697 1 7 . 1 1 943 943 LEU N N 943 120.100 120.100 119.139 0.961 25899 2698 1 7 . 1 1 943 943 LEU HA H 943 3.972 3.972 4.023 -0.051 25899 2699 1 7 . 1 1 943 943 LEU C C 943 179.300 179.300 178.703 0.597 25899 2700 1 7 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.185 0.895 25899 2701 1 7 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.758 2.182 25899 2702 1 7 . 1 1 943 943 LEU H H 943 8.417 8.417 7.676 0.741 25899 2703 1 7 . 1 1 944 944 LYS N N 944 118.700 118.700 119.919 -1.219 25899 2704 1 7 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.894 -0.070 25899 2705 1 7 . 1 1 944 944 LYS C C 944 179.500 179.500 178.551 0.949 25899 2706 1 7 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.386 1.414 25899 2707 1 7 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.001 0.459 25899 2708 1 7 . 1 1 944 944 LYS H H 944 8.955 8.955 8.390 0.565 25899 2709 1 7 . 1 1 945 945 LYS N N 945 117.000 117.000 118.590 -1.590 25899 2710 1 7 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.109 0.055 25899 2711 1 7 . 1 1 945 945 LYS C C 945 179.000 179.000 179.546 -0.546 25899 2712 1 7 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.148 -0.478 25899 2713 1 7 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.262 0.008 25899 2714 1 7 . 1 1 945 945 LYS H H 945 7.291 7.291 7.721 -0.430 25899 2715 1 7 . 1 1 946 946 LEU N N 946 118.700 118.700 119.361 -0.661 25899 2716 1 7 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.026 0.177 25899 2717 1 7 . 1 1 946 946 LEU C C 946 179.000 179.000 178.783 0.217 25899 2718 1 7 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.037 0.083 25899 2719 1 7 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.929 0.751 25899 2720 1 7 . 1 1 946 946 LEU H H 946 7.441 7.441 7.540 -0.099 25899 2721 1 7 . 1 1 947 947 VAL N N 947 113.800 113.800 116.054 -2.254 25899 2722 1 7 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.950 0.198 25899 2723 1 7 . 1 1 947 947 VAL C C 947 176.600 176.600 176.546 0.054 25899 2724 1 7 . 1 1 947 947 VAL CA C 947 62.750 62.750 63.741 -0.991 25899 2725 1 7 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.984 -0.364 25899 2726 1 7 . 1 1 947 947 VAL H H 947 7.677 7.677 7.366 0.311 25899 2727 1 7 . 1 1 948 948 GLY N N 948 109.600 109.600 107.022 2.578 25899 2728 1 7 . 1 1 948 948 GLY C C 948 174.200 174.200 172.734 1.466 25899 2729 1 7 . 1 1 948 948 GLY CA C 948 46.020 46.020 44.847 1.173 25899 2730 1 7 . 1 1 948 948 GLY H H 948 7.853 7.853 7.951 -0.098 25899 2731 1 8 . 1 1 883 883 HIS C C 883 175.500 175.500 177.648 -2.148 25899 2732 1 8 . 1 1 883 883 HIS CA C 883 56.720 56.720 58.892 -2.172 25899 2733 1 8 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.570 0.470 25899 2734 1 8 . 1 1 884 884 GLU N N 884 121.300 121.300 119.659 1.641 25899 2735 1 8 . 1 1 884 884 GLU HA H 884 4.223 4.223 3.996 0.227 25899 2736 1 8 . 1 1 884 884 GLU C C 884 176.600 176.600 178.457 -1.857 25899 2737 1 8 . 1 1 884 884 GLU CA C 884 57.510 57.510 59.249 -1.739 25899 2738 1 8 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.098 0.952 25899 2739 1 8 . 1 1 884 884 GLU H H 884 8.428 8.428 9.034 -0.606 25899 2740 1 8 . 1 1 885 885 ASN N N 885 119.500 119.500 118.131 1.369 25899 2741 1 8 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.427 0.263 25899 2742 1 8 . 1 1 885 885 ASN C C 885 175.900 175.900 177.606 -1.706 25899 2743 1 8 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.800 -2.040 25899 2744 1 8 . 1 1 885 885 ASN CB C 885 38.730 38.730 37.944 0.786 25899 2745 1 8 . 1 1 885 885 ASN H H 885 8.474 8.474 7.707 0.767 25899 2746 1 8 . 1 1 886 886 LYS N N 886 121.700 121.700 120.207 1.493 25899 2747 1 8 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.033 0.197 25899 2748 1 8 . 1 1 886 886 LYS C C 886 177.700 177.700 179.147 -1.447 25899 2749 1 8 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.682 -1.942 25899 2750 1 8 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.247 0.313 25899 2751 1 8 . 1 1 886 886 LYS H H 886 8.311 8.311 8.299 0.012 25899 2752 1 8 . 1 1 887 887 GLN N N 887 119.600 119.600 119.652 -0.052 25899 2753 1 8 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.093 0.146 25899 2754 1 8 . 1 1 887 887 GLN C C 887 177.200 177.200 178.380 -1.180 25899 2755 1 8 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.604 -0.374 25899 2756 1 8 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.208 0.702 25899 2757 1 8 . 1 1 887 887 GLN H H 887 8.247 8.247 7.696 0.551 25899 2758 1 8 . 1 1 888 888 VAL N N 888 119.100 119.100 119.173 -0.073 25899 2759 1 8 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.597 0.185 25899 2760 1 8 . 1 1 888 888 VAL C C 888 177.600 177.600 178.277 -0.677 25899 2761 1 8 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.653 -1.333 25899 2762 1 8 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.198 0.792 25899 2763 1 8 . 1 1 888 888 VAL H H 888 7.843 7.843 8.005 -0.162 25899 2764 1 8 . 1 1 889 889 GLU N N 889 120.400 120.400 119.151 1.249 25899 2765 1 8 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.972 0.006 25899 2766 1 8 . 1 1 889 889 GLU C C 889 178.900 178.900 178.896 0.004 25899 2767 1 8 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.625 0.015 25899 2768 1 8 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.234 0.236 25899 2769 1 8 . 1 1 889 889 GLU H H 889 8.090 8.090 8.663 -0.573 25899 2770 1 8 . 1 1 890 890 GLU N N 890 120.700 120.700 120.485 0.215 25899 2771 1 8 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.063 0.201 25899 2772 1 8 . 1 1 890 890 GLU C C 890 178.200 178.200 179.024 -0.824 25899 2773 1 8 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.357 -0.237 25899 2774 1 8 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.567 0.103 25899 2775 1 8 . 1 1 890 890 GLU H H 890 8.133 8.133 7.925 0.208 25899 2776 1 8 . 1 1 891 891 ILE N N 891 119.400 119.400 120.991 -1.591 25899 2777 1 8 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.777 -0.226 25899 2778 1 8 . 1 1 891 891 ILE C C 891 177.400 177.400 178.056 -0.656 25899 2779 1 8 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.731 1.089 25899 2780 1 8 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.689 0.211 25899 2781 1 8 . 1 1 891 891 ILE H H 891 7.799 7.799 7.814 -0.015 25899 2782 1 8 . 1 1 892 892 LEU N N 892 118.400 118.400 119.779 -1.379 25899 2783 1 8 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.905 0.203 25899 2784 1 8 . 1 1 892 892 LEU C C 892 180.100 180.100 179.332 0.768 25899 2785 1 8 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.467 -0.397 25899 2786 1 8 . 1 1 892 892 LEU CB C 892 41.690 41.690 40.704 0.986 25899 2787 1 8 . 1 1 892 892 LEU H H 892 7.814 7.814 7.807 0.007 25899 2788 1 8 . 1 1 893 893 ARG N N 893 119.900 119.900 118.857 1.043 25899 2789 1 8 . 1 1 893 893 ARG HA H 893 4.029 4.029 4.024 0.005 25899 2790 1 8 . 1 1 893 893 ARG C C 893 179.500 179.500 178.956 0.544 25899 2791 1 8 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.677 0.113 25899 2792 1 8 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.025 0.115 25899 2793 1 8 . 1 1 893 893 ARG H H 893 7.918 7.918 7.702 0.216 25899 2794 1 8 . 1 1 894 894 LEU N N 894 121.300 121.300 120.212 1.088 25899 2795 1 8 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.049 0.026 25899 2796 1 8 . 1 1 894 894 LEU C C 894 179.200 179.200 179.262 -0.062 25899 2797 1 8 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.797 0.333 25899 2798 1 8 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.607 0.903 25899 2799 1 8 . 1 1 894 894 LEU H H 894 8.236 8.236 7.876 0.360 25899 2800 1 8 . 1 1 895 895 GLU N N 895 118.200 118.200 119.826 -1.626 25899 2801 1 8 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.963 -0.001 25899 2802 1 8 . 1 1 895 895 GLU C C 895 180.100 180.100 179.358 0.742 25899 2803 1 8 . 1 1 895 895 GLU CA C 895 60.270 60.270 59.913 0.357 25899 2804 1 8 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.266 0.234 25899 2805 1 8 . 1 1 895 895 GLU H H 895 8.780 8.780 8.118 0.662 25899 2806 1 8 . 1 1 896 896 LYS N N 896 120.600 120.600 118.974 1.626 25899 2807 1 8 . 1 1 896 896 LYS C C 896 178.300 178.300 178.999 -0.699 25899 2808 1 8 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.653 -0.673 25899 2809 1 8 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.557 -0.717 25899 2810 1 8 . 1 1 896 896 LYS H H 896 7.884 7.884 7.842 0.042 25899 2811 1 8 . 1 1 897 897 GLU N N 897 121.100 121.100 119.950 1.150 25899 2812 1 8 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.079 0.076 25899 2813 1 8 . 1 1 897 897 GLU C C 897 179.800 179.800 178.762 1.038 25899 2814 1 8 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.319 0.551 25899 2815 1 8 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.781 -0.551 25899 2816 1 8 . 1 1 897 897 GLU H H 897 7.913 7.913 8.173 -0.260 25899 2817 1 8 . 1 1 898 898 ILE N N 898 120.000 120.000 120.769 -0.769 25899 2818 1 8 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.704 -0.169 25899 2819 1 8 . 1 1 898 898 ILE C C 898 177.300 177.300 177.214 0.086 25899 2820 1 8 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.163 2.137 25899 2821 1 8 . 1 1 898 898 ILE CB C 898 38.130 38.130 38.164 -0.034 25899 2822 1 8 . 1 1 898 898 ILE H H 898 8.274 8.274 8.488 -0.214 25899 2823 1 8 . 1 1 899 899 GLU N N 899 120.400 120.400 120.548 -0.148 25899 2824 1 8 . 1 1 899 899 GLU HA H 899 4.024 4.024 4.215 -0.191 25899 2825 1 8 . 1 1 899 899 GLU C C 899 179.400 179.400 178.636 0.764 25899 2826 1 8 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.378 0.512 25899 2827 1 8 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.315 0.215 25899 2828 1 8 . 1 1 899 899 GLU H H 899 7.891 7.891 8.010 -0.119 25899 2829 1 8 . 1 1 900 900 ASP N N 900 119.600 119.600 120.624 -1.024 25899 2830 1 8 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.406 0.058 25899 2831 1 8 . 1 1 900 900 ASP C C 900 179.800 179.800 178.670 1.130 25899 2832 1 8 . 1 1 900 900 ASP CA C 900 57.710 57.710 56.904 0.806 25899 2833 1 8 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.636 -0.076 25899 2834 1 8 . 1 1 900 900 ASP H H 900 8.231 8.231 7.691 0.540 25899 2835 1 8 . 1 1 901 901 LEU N N 901 122.200 122.200 120.248 1.952 25899 2836 1 8 . 1 1 901 901 LEU HA H 901 4.122 4.122 4.013 0.109 25899 2837 1 8 . 1 1 901 901 LEU C C 901 179.900 179.900 179.170 0.730 25899 2838 1 8 . 1 1 901 901 LEU CA C 901 58.370 58.370 58.233 0.137 25899 2839 1 8 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.750 2.000 25899 2840 1 8 . 1 1 901 901 LEU H H 901 8.470 8.470 7.849 0.621 25899 2841 1 8 . 1 1 902 902 GLN N N 902 121.000 121.000 118.533 2.467 25899 2842 1 8 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.873 0.220 25899 2843 1 8 . 1 1 902 902 GLN C C 902 179.100 179.100 178.667 0.433 25899 2844 1 8 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.823 -0.403 25899 2845 1 8 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.485 -0.685 25899 2846 1 8 . 1 1 902 902 GLN H H 902 9.079 9.079 8.106 0.973 25899 2847 1 8 . 1 1 903 903 ARG N N 903 119.900 119.900 119.119 0.781 25899 2848 1 8 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.087 0.113 25899 2849 1 8 . 1 1 903 903 ARG C C 903 179.800 179.800 179.157 0.643 25899 2850 1 8 . 1 1 903 903 ARG CA C 903 59.440 59.440 59.555 -0.115 25899 2851 1 8 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.268 0.012 25899 2852 1 8 . 1 1 903 903 ARG H H 903 8.107 8.107 7.917 0.190 25899 2853 1 8 . 1 1 904 904 MET N N 904 119.500 119.500 119.632 -0.132 25899 2854 1 8 . 1 1 904 904 MET HA H 904 4.218 4.218 4.082 0.136 25899 2855 1 8 . 1 1 904 904 MET C C 904 177.800 177.800 178.496 -0.696 25899 2856 1 8 . 1 1 904 904 MET CA C 904 58.590 58.590 59.458 -0.868 25899 2857 1 8 . 1 1 904 904 MET CB C 904 32.280 32.280 32.496 -0.216 25899 2858 1 8 . 1 1 904 904 MET H H 904 8.005 8.005 8.210 -0.205 25899 2859 1 8 . 1 1 905 905 LYS N N 905 121.900 121.900 119.410 2.490 25899 2860 1 8 . 1 1 905 905 LYS HA H 905 4.369 4.369 3.983 0.386 25899 2861 1 8 . 1 1 905 905 LYS C C 905 179.300 179.300 179.178 0.122 25899 2862 1 8 . 1 1 905 905 LYS CA C 905 59.290 59.290 59.914 -0.624 25899 2863 1 8 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.221 0.199 25899 2864 1 8 . 1 1 905 905 LYS H H 905 8.465 8.465 8.476 -0.011 25899 2865 1 8 . 1 1 906 906 GLU N N 906 119.200 119.200 119.291 -0.091 25899 2866 1 8 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.041 0.111 25899 2867 1 8 . 1 1 906 906 GLU C C 906 179.400 179.400 179.241 0.159 25899 2868 1 8 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.392 -0.032 25899 2869 1 8 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.588 0.032 25899 2870 1 8 . 1 1 906 906 GLU H H 906 8.013 8.013 8.341 -0.328 25899 2871 1 8 . 1 1 907 907 ARG N N 907 120.000 120.000 119.152 0.848 25899 2872 1 8 . 1 1 907 907 ARG HA H 907 4.161 4.161 4.063 0.098 25899 2873 1 8 . 1 1 907 907 ARG C C 907 179.800 179.800 179.017 0.783 25899 2874 1 8 . 1 1 907 907 ARG CA C 907 59.470 59.470 58.907 0.563 25899 2875 1 8 . 1 1 907 907 ARG CB C 907 30.060 30.060 29.800 0.260 25899 2876 1 8 . 1 1 907 907 ARG H H 907 7.946 7.946 8.417 -0.471 25899 2877 1 8 . 1 1 908 908 GLN N N 908 119.300 119.300 118.439 0.861 25899 2878 1 8 . 1 1 908 908 GLN HA H 908 4.269 4.269 4.091 0.178 25899 2879 1 8 . 1 1 908 908 GLN C C 908 178.400 178.400 178.507 -0.107 25899 2880 1 8 . 1 1 908 908 GLN CA C 908 59.410 59.410 58.784 0.626 25899 2881 1 8 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.279 1.181 25899 2882 1 8 . 1 1 908 908 GLN H H 908 8.639 8.639 8.192 0.447 25899 2883 1 8 . 1 1 909 909 GLU N N 909 120.300 120.300 120.387 -0.087 25899 2884 1 8 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.048 -0.028 25899 2885 1 8 . 1 1 909 909 GLU C C 909 179.700 179.700 179.354 0.346 25899 2886 1 8 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.268 0.642 25899 2887 1 8 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.431 -0.041 25899 2888 1 8 . 1 1 909 909 GLU H H 909 8.346 8.346 7.826 0.520 25899 2889 1 8 . 1 1 910 910 LEU N N 910 121.100 121.100 120.280 0.820 25899 2890 1 8 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.015 0.216 25899 2891 1 8 . 1 1 910 910 LEU C C 910 180.100 180.100 179.142 0.958 25899 2892 1 8 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.868 0.502 25899 2893 1 8 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.788 -0.298 25899 2894 1 8 . 1 1 910 910 LEU H H 910 7.825 7.825 7.885 -0.060 25899 2895 1 8 . 1 1 911 911 SER N N 911 116.500 116.500 115.543 0.957 25899 2896 1 8 . 1 1 911 911 SER HA H 911 4.322 4.322 4.210 0.112 25899 2897 1 8 . 1 1 911 911 SER C C 911 177.300 177.300 176.734 0.566 25899 2898 1 8 . 1 1 911 911 SER CA C 911 62.340 62.340 61.995 0.345 25899 2899 1 8 . 1 1 911 911 SER CB C 911 62.990 62.990 62.666 0.324 25899 2900 1 8 . 1 1 911 911 SER H H 911 8.142 8.142 7.924 0.218 25899 2901 1 8 . 1 1 912 912 LEU N N 912 125.300 125.300 122.154 3.146 25899 2902 1 8 . 1 1 912 912 LEU HA H 912 4.213 4.213 4.048 0.165 25899 2903 1 8 . 1 1 912 912 LEU C C 912 179.500 179.500 178.820 0.680 25899 2904 1 8 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.630 -0.241 25899 2905 1 8 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.627 -0.007 25899 2906 1 8 . 1 1 912 912 LEU H H 912 8.651 8.651 7.975 0.676 25899 2907 1 8 . 1 1 913 913 THR N N 913 120.000 120.000 116.143 3.857 25899 2908 1 8 . 1 1 913 913 THR HA H 913 3.983 3.983 3.898 0.085 25899 2909 1 8 . 1 1 913 913 THR C C 913 176.800 176.800 177.144 -0.344 25899 2910 1 8 . 1 1 913 913 THR CA C 913 67.130 67.130 67.403 -0.273 25899 2911 1 8 . 1 1 913 913 THR CB C 913 68.680 68.680 68.376 0.304 25899 2912 1 8 . 1 1 913 913 THR H H 913 8.419 8.419 7.917 0.502 25899 2913 1 8 . 1 1 914 914 GLU N N 914 122.200 122.200 121.320 0.880 25899 2914 1 8 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.057 0.001 25899 2915 1 8 . 1 1 914 914 GLU C C 914 178.800 178.800 178.795 0.005 25899 2916 1 8 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.302 0.518 25899 2917 1 8 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.416 0.184 25899 2918 1 8 . 1 1 914 914 GLU H H 914 8.189 8.189 7.871 0.318 25899 2919 1 8 . 1 1 915 915 ALA N N 915 1.501 1.501 122.247 -120.746 25899 2920 1 8 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.063 0.154 25899 2921 1 8 . 1 1 915 915 ALA C C 915 180.700 180.700 179.761 0.939 25899 2922 1 8 . 1 1 915 915 ALA CA C 915 55.200 55.200 55.081 0.119 25899 2923 1 8 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.168 -0.268 25899 2924 1 8 . 1 1 915 915 ALA H H 915 8.315 8.315 8.193 0.122 25899 2925 1 8 . 1 1 916 916 SER N N 916 115.000 115.000 115.584 -0.584 25899 2926 1 8 . 1 1 916 916 SER HA H 916 4.233 4.233 4.098 0.135 25899 2927 1 8 . 1 1 916 916 SER C C 916 176.700 176.700 176.831 -0.131 25899 2928 1 8 . 1 1 916 916 SER CA C 916 62.080 62.080 61.770 0.310 25899 2929 1 8 . 1 1 916 916 SER CB C 916 62.710 62.710 63.016 -0.306 25899 2930 1 8 . 1 1 916 916 SER H H 916 8.238 8.238 8.362 -0.124 25899 2931 1 8 . 1 1 917 917 LEU N N 917 123.500 123.500 122.217 1.283 25899 2932 1 8 . 1 1 917 917 LEU HA H 917 4.113 4.113 3.932 0.181 25899 2933 1 8 . 1 1 917 917 LEU C C 917 180.000 180.000 178.793 1.207 25899 2934 1 8 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.948 0.232 25899 2935 1 8 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.643 -0.003 25899 2936 1 8 . 1 1 917 917 LEU H H 917 7.880 7.880 7.756 0.124 25899 2937 1 8 . 1 1 918 918 GLN N N 918 119.000 119.000 118.184 0.816 25899 2938 1 8 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.984 0.116 25899 2939 1 8 . 1 1 918 918 GLN C C 918 178.900 178.900 178.763 0.137 25899 2940 1 8 . 1 1 918 918 GLN CA C 918 58.910 58.910 58.723 0.187 25899 2941 1 8 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.053 0.237 25899 2942 1 8 . 1 1 918 918 GLN H H 918 8.201 8.201 7.785 0.416 25899 2943 1 8 . 1 1 919 919 LYS N N 919 120.300 120.300 119.859 0.441 25899 2944 1 8 . 1 1 919 919 LYS HA H 919 3.883 3.883 4.058 -0.175 25899 2945 1 8 . 1 1 919 919 LYS C C 919 177.600 177.600 179.240 -1.640 25899 2946 1 8 . 1 1 919 919 LYS CA C 919 60.600 60.600 58.462 2.138 25899 2947 1 8 . 1 1 919 919 LYS CB C 919 32.380 32.380 31.943 0.437 25899 2948 1 8 . 1 1 919 919 LYS H H 919 8.191 8.191 7.673 0.518 25899 2949 1 8 . 1 1 920 920 LEU N N 920 119.100 119.100 120.521 -1.421 25899 2950 1 8 . 1 1 920 920 LEU HA H 920 4.183 4.183 4.115 0.068 25899 2951 1 8 . 1 1 920 920 LEU C C 920 179.500 179.500 179.247 0.253 25899 2952 1 8 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.376 -0.106 25899 2953 1 8 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.571 0.279 25899 2954 1 8 . 1 1 920 920 LEU H H 920 7.738 7.738 7.912 -0.174 25899 2955 1 8 . 1 1 921 921 GLN N N 921 117.500 117.500 118.204 -0.704 25899 2956 1 8 . 1 1 921 921 GLN HA H 921 4.170 4.170 3.993 0.177 25899 2957 1 8 . 1 1 921 921 GLN C C 921 180.000 180.000 178.956 1.044 25899 2958 1 8 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.702 0.398 25899 2959 1 8 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.277 0.193 25899 2960 1 8 . 1 1 921 921 GLN H H 921 7.828 7.828 7.729 0.099 25899 2961 1 8 . 1 1 922 922 LEU N N 922 121.500 121.500 120.353 1.147 25899 2962 1 8 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.964 -0.000 25899 2963 1 8 . 1 1 922 922 LEU C C 922 178.700 178.700 178.895 -0.195 25899 2964 1 8 . 1 1 922 922 LEU CA C 922 58.160 58.160 58.387 -0.227 25899 2965 1 8 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.640 1.950 25899 2966 1 8 . 1 1 922 922 LEU H H 922 8.078 8.078 7.826 0.252 25899 2967 1 8 . 1 1 923 923 GLU N N 923 120.400 120.400 119.181 1.219 25899 2968 1 8 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.877 0.019 25899 2969 1 8 . 1 1 923 923 GLU C C 923 180.100 180.100 178.732 1.368 25899 2970 1 8 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.923 0.517 25899 2971 1 8 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.256 0.014 25899 2972 1 8 . 1 1 923 923 GLU H H 923 8.738 8.738 7.953 0.785 25899 2973 1 8 . 1 1 924 924 ASP N N 924 120.100 120.100 119.657 0.443 25899 2974 1 8 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.431 0.039 25899 2975 1 8 . 1 1 924 924 ASP C C 924 178.800 178.800 178.207 0.593 25899 2976 1 8 . 1 1 924 924 ASP CA C 924 57.490 57.490 56.805 0.685 25899 2977 1 8 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.803 -0.313 25899 2978 1 8 . 1 1 924 924 ASP H H 924 8.102 8.102 7.835 0.267 25899 2979 1 8 . 1 1 925 925 LYS N N 925 122.500 122.500 120.741 1.759 25899 2980 1 8 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.046 0.174 25899 2981 1 8 . 1 1 925 925 LYS C C 925 178.700 178.700 178.924 -0.224 25899 2982 1 8 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.469 -0.849 25899 2983 1 8 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.575 -1.025 25899 2984 1 8 . 1 1 925 925 LYS H H 925 7.825 7.825 7.498 0.327 25899 2985 1 8 . 1 1 926 926 VAL N N 926 120.000 120.000 119.485 0.515 25899 2986 1 8 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.678 -0.242 25899 2987 1 8 . 1 1 926 926 VAL C C 926 177.300 177.300 177.236 0.064 25899 2988 1 8 . 1 1 926 926 VAL CA C 926 67.820 67.820 65.924 1.896 25899 2989 1 8 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.764 -0.064 25899 2990 1 8 . 1 1 926 926 VAL H H 926 8.578 8.578 8.186 0.392 25899 2991 1 8 . 1 1 927 927 GLU N N 927 118.000 118.000 120.240 -2.240 25899 2992 1 8 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.942 0.169 25899 2993 1 8 . 1 1 927 927 GLU C C 927 179.600 179.600 178.693 0.907 25899 2994 1 8 . 1 1 927 927 GLU CA C 927 59.940 59.940 59.553 0.387 25899 2995 1 8 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.088 0.182 25899 2996 1 8 . 1 1 927 927 GLU H H 927 7.848 7.848 8.378 -0.530 25899 2997 1 8 . 1 1 928 928 GLU N N 928 120.900 120.900 119.602 1.298 25899 2998 1 8 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.073 0.039 25899 2999 1 8 . 1 1 928 928 GLU C C 928 179.700 179.700 179.254 0.446 25899 3000 1 8 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.064 0.426 25899 3001 1 8 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.566 0.254 25899 3002 1 8 . 1 1 928 928 GLU H H 928 8.139 8.139 7.864 0.275 25899 3003 1 8 . 1 1 929 929 LEU N N 929 120.600 120.600 119.963 0.637 25899 3004 1 8 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.070 -0.045 25899 3005 1 8 . 1 1 929 929 LEU C C 929 179.600 179.600 178.990 0.610 25899 3006 1 8 . 1 1 929 929 LEU CA C 929 58.060 58.060 58.340 -0.280 25899 3007 1 8 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.626 1.734 25899 3008 1 8 . 1 1 929 929 LEU H H 929 8.557 8.557 7.589 0.968 25899 3009 1 8 . 1 1 930 930 LEU N N 930 122.000 122.000 120.130 1.870 25899 3010 1 8 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.967 0.100 25899 3011 1 8 . 1 1 930 930 LEU C C 930 180.000 180.000 178.391 1.609 25899 3012 1 8 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.032 0.258 25899 3013 1 8 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.355 0.735 25899 3014 1 8 . 1 1 930 930 LEU H H 930 9.107 9.107 8.279 0.828 25899 3015 1 8 . 1 1 931 931 SER N N 931 114.800 114.800 115.798 -0.998 25899 3016 1 8 . 1 1 931 931 SER HA H 931 4.346 4.346 4.145 0.201 25899 3017 1 8 . 1 1 931 931 SER C C 931 177.700 177.700 176.839 0.861 25899 3018 1 8 . 1 1 931 931 SER CA C 931 61.790 61.790 61.958 -0.168 25899 3019 1 8 . 1 1 931 931 SER CB C 931 62.830 62.830 62.586 0.244 25899 3020 1 8 . 1 1 931 931 SER H H 931 7.883 7.883 8.078 -0.195 25899 3021 1 8 . 1 1 932 932 LYS N N 932 122.200 122.200 121.707 0.493 25899 3022 1 8 . 1 1 932 932 LYS HA H 932 4.220 4.220 3.994 0.226 25899 3023 1 8 . 1 1 932 932 LYS C C 932 178.800 178.800 178.679 0.121 25899 3024 1 8 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.984 -0.204 25899 3025 1 8 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.071 0.709 25899 3026 1 8 . 1 1 932 932 LYS H H 932 8.202 8.202 7.835 0.367 25899 3027 1 8 . 1 1 933 933 ASN N N 933 119.500 119.500 118.530 0.970 25899 3028 1 8 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.454 -0.053 25899 3029 1 8 . 1 1 933 933 ASN C C 933 176.800 176.800 177.332 -0.532 25899 3030 1 8 . 1 1 933 933 ASN CA C 933 57.330 57.330 56.516 0.814 25899 3031 1 8 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.664 0.346 25899 3032 1 8 . 1 1 933 933 ASN H H 933 8.777 8.777 7.902 0.875 25899 3033 1 8 . 1 1 934 934 TYR N N 934 120.300 120.300 121.205 -0.905 25899 3034 1 8 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.096 0.276 25899 3035 1 8 . 1 1 934 934 TYR C C 934 178.200 178.200 177.927 0.273 25899 3036 1 8 . 1 1 934 934 TYR CA C 934 60.840 60.840 62.347 -1.508 25899 3037 1 8 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.458 -0.528 25899 3038 1 8 . 1 1 934 934 TYR H H 934 8.236 8.236 8.090 0.146 25899 3039 1 8 . 1 1 935 935 HIS N N 935 118.000 118.000 119.104 -1.104 25899 3040 1 8 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.169 0.184 25899 3041 1 8 . 1 1 935 935 HIS C C 935 178.600 178.600 177.570 1.030 25899 3042 1 8 . 1 1 935 935 HIS CA C 935 59.910 59.910 59.967 -0.057 25899 3043 1 8 . 1 1 935 935 HIS CB C 935 29.790 29.790 29.922 -0.132 25899 3044 1 8 . 1 1 935 935 HIS H H 935 7.817 7.817 7.990 -0.173 25899 3045 1 8 . 1 1 936 936 LEU N N 936 120.500 120.500 120.136 0.364 25899 3046 1 8 . 1 1 936 936 LEU HA H 936 4.123 4.123 3.886 0.237 25899 3047 1 8 . 1 1 936 936 LEU C C 936 178.900 178.900 179.005 -0.105 25899 3048 1 8 . 1 1 936 936 LEU CA C 936 58.220 58.220 57.901 0.319 25899 3049 1 8 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.749 1.891 25899 3050 1 8 . 1 1 936 936 LEU H H 936 8.522 8.522 8.784 -0.262 25899 3051 1 8 . 1 1 937 937 GLU N N 937 119.600 119.600 118.907 0.693 25899 3052 1 8 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.860 0.051 25899 3053 1 8 . 1 1 937 937 GLU C C 937 180.300 180.300 179.098 1.202 25899 3054 1 8 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.473 0.807 25899 3055 1 8 . 1 1 937 937 GLU CB C 937 29.270 29.270 28.855 0.415 25899 3056 1 8 . 1 1 937 937 GLU H H 937 8.856 8.856 8.665 0.191 25899 3057 1 8 . 1 1 938 938 ASN N N 938 118.900 118.900 118.147 0.753 25899 3058 1 8 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.274 0.160 25899 3059 1 8 . 1 1 938 938 ASN C C 938 177.900 177.900 177.612 0.288 25899 3060 1 8 . 1 1 938 938 ASN CA C 938 56.100 56.100 56.229 -0.129 25899 3061 1 8 . 1 1 938 938 ASN CB C 938 38.010 38.010 38.451 -0.441 25899 3062 1 8 . 1 1 938 938 ASN H H 938 7.735 7.735 7.681 0.054 25899 3063 1 8 . 1 1 939 939 GLU N N 939 123.800 123.800 120.735 3.065 25899 3064 1 8 . 1 1 939 939 GLU HA H 939 4.442 4.442 3.933 0.509 25899 3065 1 8 . 1 1 939 939 GLU C C 939 178.400 178.400 179.009 -0.609 25899 3066 1 8 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.333 -0.623 25899 3067 1 8 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.748 0.382 25899 3068 1 8 . 1 1 939 939 GLU H H 939 8.098 8.098 7.495 0.603 25899 3069 1 8 . 1 1 940 940 VAL N N 940 120.000 120.000 119.983 0.017 25899 3070 1 8 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.630 -0.230 25899 3071 1 8 . 1 1 940 940 VAL C C 940 177.400 177.400 177.891 -0.491 25899 3072 1 8 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.369 1.351 25899 3073 1 8 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.176 0.454 25899 3074 1 8 . 1 1 940 940 VAL H H 940 8.669 8.669 8.381 0.288 25899 3075 1 8 . 1 1 941 941 ALA N N 941 119.800 119.800 121.676 -1.876 25899 3076 1 8 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.958 0.056 25899 3077 1 8 . 1 1 941 941 ALA C C 941 180.500 180.500 179.359 1.141 25899 3078 1 8 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.255 0.145 25899 3079 1 8 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.078 -0.048 25899 3080 1 8 . 1 1 941 941 ALA H H 941 7.725 7.725 8.517 -0.792 25899 3081 1 8 . 1 1 942 942 ARG N N 942 119.400 119.400 119.165 0.235 25899 3082 1 8 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.023 -0.058 25899 3083 1 8 . 1 1 942 942 ARG C C 942 179.300 179.300 178.757 0.543 25899 3084 1 8 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.183 0.337 25899 3085 1 8 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.156 0.584 25899 3086 1 8 . 1 1 942 942 ARG H H 942 7.904 7.904 7.642 0.262 25899 3087 1 8 . 1 1 943 943 LEU N N 943 120.100 120.100 119.199 0.901 25899 3088 1 8 . 1 1 943 943 LEU HA H 943 3.972 3.972 4.023 -0.051 25899 3089 1 8 . 1 1 943 943 LEU C C 943 179.300 179.300 178.709 0.591 25899 3090 1 8 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.213 0.867 25899 3091 1 8 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.773 2.167 25899 3092 1 8 . 1 1 943 943 LEU H H 943 8.417 8.417 7.688 0.729 25899 3093 1 8 . 1 1 944 944 LYS N N 944 118.700 118.700 119.970 -1.270 25899 3094 1 8 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.897 -0.073 25899 3095 1 8 . 1 1 944 944 LYS C C 944 179.500 179.500 178.556 0.944 25899 3096 1 8 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.463 1.337 25899 3097 1 8 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.014 0.445 25899 3098 1 8 . 1 1 944 944 LYS H H 944 8.955 8.955 8.408 0.547 25899 3099 1 8 . 1 1 945 945 LYS N N 945 117.000 117.000 118.513 -1.513 25899 3100 1 8 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.114 0.050 25899 3101 1 8 . 1 1 945 945 LYS C C 945 179.000 179.000 179.489 -0.489 25899 3102 1 8 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.100 -0.430 25899 3103 1 8 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.254 0.016 25899 3104 1 8 . 1 1 945 945 LYS H H 945 7.291 7.291 7.682 -0.391 25899 3105 1 8 . 1 1 946 946 LEU N N 946 118.700 118.700 119.802 -1.102 25899 3106 1 8 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.005 0.198 25899 3107 1 8 . 1 1 946 946 LEU C C 946 179.000 179.000 178.351 0.649 25899 3108 1 8 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.268 -0.148 25899 3109 1 8 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.803 0.877 25899 3110 1 8 . 1 1 946 946 LEU H H 946 7.441 7.441 7.548 -0.107 25899 3111 1 8 . 1 1 947 947 VAL N N 947 113.800 113.800 116.853 -3.053 25899 3112 1 8 . 1 1 947 947 VAL HA H 947 4.148 4.148 4.160 -0.012 25899 3113 1 8 . 1 1 947 947 VAL C C 947 176.600 176.600 176.437 0.163 25899 3114 1 8 . 1 1 947 947 VAL CA C 947 62.750 62.750 63.019 -0.269 25899 3115 1 8 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.633 -0.013 25899 3116 1 8 . 1 1 947 947 VAL H H 947 7.677 7.677 7.423 0.254 25899 3117 1 8 . 1 1 948 948 GLY N N 948 109.600 109.600 107.653 1.947 25899 3118 1 8 . 1 1 948 948 GLY C C 948 174.200 174.200 172.593 1.607 25899 3119 1 8 . 1 1 948 948 GLY CA C 948 46.020 46.020 45.084 0.936 25899 3120 1 8 . 1 1 948 948 GLY H H 948 7.853 7.853 7.976 -0.123 25899 3121 1 9 . 1 1 883 883 HIS C C 883 175.500 175.500 176.539 -1.039 25899 3122 1 9 . 1 1 883 883 HIS CA C 883 56.720 56.720 58.187 -1.467 25899 3123 1 9 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.885 0.155 25899 3124 1 9 . 1 1 884 884 GLU N N 884 121.300 121.300 120.852 0.448 25899 3125 1 9 . 1 1 884 884 GLU HA H 884 4.223 4.223 3.947 0.276 25899 3126 1 9 . 1 1 884 884 GLU C C 884 176.600 176.600 177.616 -1.016 25899 3127 1 9 . 1 1 884 884 GLU CA C 884 57.510 57.510 58.389 -0.879 25899 3128 1 9 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.163 0.887 25899 3129 1 9 . 1 1 884 884 GLU H H 884 8.428 8.428 8.291 0.137 25899 3130 1 9 . 1 1 885 885 ASN N N 885 119.500 119.500 118.133 1.367 25899 3131 1 9 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.408 0.282 25899 3132 1 9 . 1 1 885 885 ASN C C 885 175.900 175.900 177.465 -1.565 25899 3133 1 9 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.824 -2.064 25899 3134 1 9 . 1 1 885 885 ASN CB C 885 38.730 38.730 38.058 0.672 25899 3135 1 9 . 1 1 885 885 ASN H H 885 8.474 8.474 7.696 0.778 25899 3136 1 9 . 1 1 886 886 LYS N N 886 121.700 121.700 120.446 1.254 25899 3137 1 9 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.039 0.191 25899 3138 1 9 . 1 1 886 886 LYS C C 886 177.700 177.700 179.259 -1.559 25899 3139 1 9 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.944 -2.204 25899 3140 1 9 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.224 0.336 25899 3141 1 9 . 1 1 886 886 LYS H H 886 8.311 8.311 7.674 0.637 25899 3142 1 9 . 1 1 887 887 GLN N N 887 119.600 119.600 119.068 0.532 25899 3143 1 9 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.068 0.171 25899 3144 1 9 . 1 1 887 887 GLN C C 887 177.200 177.200 178.495 -1.295 25899 3145 1 9 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.834 -0.604 25899 3146 1 9 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.750 0.160 25899 3147 1 9 . 1 1 887 887 GLN H H 887 8.247 8.247 7.683 0.564 25899 3148 1 9 . 1 1 888 888 VAL N N 888 119.100 119.100 119.662 -0.562 25899 3149 1 9 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.605 0.177 25899 3150 1 9 . 1 1 888 888 VAL C C 888 177.600 177.600 178.223 -0.623 25899 3151 1 9 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.601 -1.281 25899 3152 1 9 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.321 0.669 25899 3153 1 9 . 1 1 888 888 VAL H H 888 7.843 7.843 7.969 -0.126 25899 3154 1 9 . 1 1 889 889 GLU N N 889 120.400 120.400 119.543 0.857 25899 3155 1 9 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.959 0.019 25899 3156 1 9 . 1 1 889 889 GLU C C 889 178.900 178.900 179.020 -0.120 25899 3157 1 9 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.693 -0.053 25899 3158 1 9 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.411 0.059 25899 3159 1 9 . 1 1 889 889 GLU H H 889 8.090 8.090 8.659 -0.569 25899 3160 1 9 . 1 1 890 890 GLU N N 890 120.700 120.700 120.341 0.359 25899 3161 1 9 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.116 0.148 25899 3162 1 9 . 1 1 890 890 GLU C C 890 178.200 178.200 178.998 -0.798 25899 3163 1 9 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.102 0.018 25899 3164 1 9 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.312 0.357 25899 3165 1 9 . 1 1 890 890 GLU H H 890 8.133 8.133 8.177 -0.044 25899 3166 1 9 . 1 1 891 891 ILE N N 891 119.400 119.400 120.482 -1.082 25899 3167 1 9 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.783 -0.232 25899 3168 1 9 . 1 1 891 891 ILE C C 891 177.400 177.400 177.894 -0.494 25899 3169 1 9 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.660 1.160 25899 3170 1 9 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.766 0.134 25899 3171 1 9 . 1 1 891 891 ILE H H 891 7.799 7.799 8.181 -0.382 25899 3172 1 9 . 1 1 892 892 LEU N N 892 118.400 118.400 121.403 -3.003 25899 3173 1 9 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.973 0.135 25899 3174 1 9 . 1 1 892 892 LEU C C 892 180.100 180.100 178.335 1.765 25899 3175 1 9 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.411 -0.341 25899 3176 1 9 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.515 0.175 25899 3177 1 9 . 1 1 892 892 LEU H H 892 7.814 7.814 8.120 -0.306 25899 3178 1 9 . 1 1 893 893 ARG N N 893 119.900 119.900 118.706 1.194 25899 3179 1 9 . 1 1 893 893 ARG HA H 893 4.029 4.029 3.990 0.039 25899 3180 1 9 . 1 1 893 893 ARG C C 893 179.500 179.500 178.886 0.614 25899 3181 1 9 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.751 0.039 25899 3182 1 9 . 1 1 893 893 ARG CB C 893 30.140 30.140 29.998 0.142 25899 3183 1 9 . 1 1 893 893 ARG H H 893 7.918 7.918 7.680 0.238 25899 3184 1 9 . 1 1 894 894 LEU N N 894 121.300 121.300 120.464 0.836 25899 3185 1 9 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.035 0.040 25899 3186 1 9 . 1 1 894 894 LEU C C 894 179.200 179.200 179.356 -0.156 25899 3187 1 9 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.844 0.286 25899 3188 1 9 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.616 0.894 25899 3189 1 9 . 1 1 894 894 LEU H H 894 8.236 8.236 7.957 0.279 25899 3190 1 9 . 1 1 895 895 GLU N N 895 118.200 118.200 119.415 -1.215 25899 3191 1 9 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.955 0.007 25899 3192 1 9 . 1 1 895 895 GLU C C 895 180.100 180.100 179.229 0.871 25899 3193 1 9 . 1 1 895 895 GLU CA C 895 60.270 60.270 60.000 0.270 25899 3194 1 9 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.373 0.126 25899 3195 1 9 . 1 1 895 895 GLU H H 895 8.780 8.780 8.492 0.288 25899 3196 1 9 . 1 1 896 896 LYS N N 896 120.600 120.600 119.645 0.955 25899 3197 1 9 . 1 1 896 896 LYS C C 896 178.300 178.300 179.293 -0.993 25899 3198 1 9 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.574 -0.594 25899 3199 1 9 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.677 -0.837 25899 3200 1 9 . 1 1 896 896 LYS H H 896 7.884 7.884 7.923 -0.039 25899 3201 1 9 . 1 1 897 897 GLU N N 897 121.100 121.100 119.921 1.179 25899 3202 1 9 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.068 0.087 25899 3203 1 9 . 1 1 897 897 GLU C C 897 179.800 179.800 179.166 0.634 25899 3204 1 9 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.262 0.608 25899 3205 1 9 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.782 -0.552 25899 3206 1 9 . 1 1 897 897 GLU H H 897 7.913 7.913 8.380 -0.467 25899 3207 1 9 . 1 1 898 898 ILE N N 898 120.000 120.000 120.696 -0.696 25899 3208 1 9 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.710 -0.175 25899 3209 1 9 . 1 1 898 898 ILE C C 898 177.300 177.300 177.291 0.009 25899 3210 1 9 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.079 2.221 25899 3211 1 9 . 1 1 898 898 ILE CB C 898 38.130 38.130 38.148 -0.018 25899 3212 1 9 . 1 1 898 898 ILE H H 898 8.274 8.274 8.503 -0.229 25899 3213 1 9 . 1 1 899 899 GLU N N 899 120.400 120.400 120.020 0.380 25899 3214 1 9 . 1 1 899 899 GLU HA H 899 4.024 4.024 3.970 0.054 25899 3215 1 9 . 1 1 899 899 GLU C C 899 179.400 179.400 178.878 0.522 25899 3216 1 9 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.675 0.215 25899 3217 1 9 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.240 0.290 25899 3218 1 9 . 1 1 899 899 GLU H H 899 7.891 7.891 7.958 -0.067 25899 3219 1 9 . 1 1 900 900 ASP N N 900 119.600 119.600 120.744 -1.144 25899 3220 1 9 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.411 0.053 25899 3221 1 9 . 1 1 900 900 ASP C C 900 179.800 179.800 178.794 1.006 25899 3222 1 9 . 1 1 900 900 ASP CA C 900 57.710 57.710 57.187 0.523 25899 3223 1 9 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.357 0.203 25899 3224 1 9 . 1 1 900 900 ASP H H 900 8.231 8.231 7.779 0.452 25899 3225 1 9 . 1 1 901 901 LEU N N 901 122.200 122.200 119.901 2.299 25899 3226 1 9 . 1 1 901 901 LEU HA H 901 4.122 4.122 4.074 0.048 25899 3227 1 9 . 1 1 901 901 LEU C C 901 179.900 179.900 179.153 0.747 25899 3228 1 9 . 1 1 901 901 LEU CA C 901 58.370 58.370 57.882 0.488 25899 3229 1 9 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.141 2.609 25899 3230 1 9 . 1 1 901 901 LEU H H 901 8.470 8.470 7.809 0.661 25899 3231 1 9 . 1 1 902 902 GLN N N 902 121.000 121.000 118.634 2.366 25899 3232 1 9 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.957 0.136 25899 3233 1 9 . 1 1 902 902 GLN C C 902 179.100 179.100 178.715 0.385 25899 3234 1 9 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.352 0.068 25899 3235 1 9 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.433 -0.633 25899 3236 1 9 . 1 1 902 902 GLN H H 902 9.079 9.079 8.483 0.596 25899 3237 1 9 . 1 1 903 903 ARG N N 903 119.900 119.900 119.056 0.844 25899 3238 1 9 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.122 0.078 25899 3239 1 9 . 1 1 903 903 ARG C C 903 179.800 179.800 178.902 0.898 25899 3240 1 9 . 1 1 903 903 ARG CA C 903 59.440 59.440 58.810 0.630 25899 3241 1 9 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.009 0.271 25899 3242 1 9 . 1 1 903 903 ARG H H 903 8.107 8.107 8.319 -0.212 25899 3243 1 9 . 1 1 904 904 MET N N 904 119.500 119.500 119.034 0.466 25899 3244 1 9 . 1 1 904 904 MET HA H 904 4.218 4.218 4.142 0.076 25899 3245 1 9 . 1 1 904 904 MET C C 904 177.800 177.800 178.192 -0.392 25899 3246 1 9 . 1 1 904 904 MET CA C 904 58.590 58.590 59.422 -0.832 25899 3247 1 9 . 1 1 904 904 MET CB C 904 32.280 32.280 32.461 -0.181 25899 3248 1 9 . 1 1 904 904 MET H H 904 8.005 8.005 7.935 0.070 25899 3249 1 9 . 1 1 905 905 LYS N N 905 121.900 121.900 120.422 1.478 25899 3250 1 9 . 1 1 905 905 LYS HA H 905 4.369 4.369 3.913 0.456 25899 3251 1 9 . 1 1 905 905 LYS C C 905 179.300 179.300 178.776 0.524 25899 3252 1 9 . 1 1 905 905 LYS CA C 905 59.290 59.290 60.083 -0.793 25899 3253 1 9 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.300 0.120 25899 3254 1 9 . 1 1 905 905 LYS H H 905 8.465 8.465 8.436 0.029 25899 3255 1 9 . 1 1 906 906 GLU N N 906 119.200 119.200 118.743 0.457 25899 3256 1 9 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.179 -0.027 25899 3257 1 9 . 1 1 906 906 GLU C C 906 179.400 179.400 179.472 -0.072 25899 3258 1 9 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.530 -0.170 25899 3259 1 9 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.497 0.123 25899 3260 1 9 . 1 1 906 906 GLU H H 906 8.013 8.013 8.313 -0.300 25899 3261 1 9 . 1 1 907 907 ARG N N 907 120.000 120.000 119.643 0.357 25899 3262 1 9 . 1 1 907 907 ARG HA H 907 4.161 4.161 4.049 0.112 25899 3263 1 9 . 1 1 907 907 ARG C C 907 179.800 179.800 179.093 0.707 25899 3264 1 9 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.517 -0.047 25899 3265 1 9 . 1 1 907 907 ARG CB C 907 30.060 30.060 30.157 -0.097 25899 3266 1 9 . 1 1 907 907 ARG H H 907 7.946 7.946 8.197 -0.251 25899 3267 1 9 . 1 1 908 908 GLN N N 908 119.300 119.300 118.602 0.698 25899 3268 1 9 . 1 1 908 908 GLN HA H 908 4.269 4.269 4.047 0.222 25899 3269 1 9 . 1 1 908 908 GLN C C 908 178.400 178.400 178.517 -0.117 25899 3270 1 9 . 1 1 908 908 GLN CA C 908 59.410 59.410 58.979 0.431 25899 3271 1 9 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.429 1.031 25899 3272 1 9 . 1 1 908 908 GLN H H 908 8.639 8.639 8.543 0.096 25899 3273 1 9 . 1 1 909 909 GLU N N 909 120.300 120.300 119.477 0.823 25899 3274 1 9 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.047 -0.027 25899 3275 1 9 . 1 1 909 909 GLU C C 909 179.700 179.700 178.959 0.741 25899 3276 1 9 . 1 1 909 909 GLU CA C 909 59.910 59.910 58.944 0.966 25899 3277 1 9 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.177 0.213 25899 3278 1 9 . 1 1 909 909 GLU H H 909 8.346 8.346 8.038 0.308 25899 3279 1 9 . 1 1 910 910 LEU N N 910 121.100 121.100 122.615 -1.515 25899 3280 1 9 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.089 0.142 25899 3281 1 9 . 1 1 910 910 LEU C C 910 180.100 180.100 178.546 1.554 25899 3282 1 9 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.702 0.668 25899 3283 1 9 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.856 -0.366 25899 3284 1 9 . 1 1 910 910 LEU H H 910 7.825 7.825 7.938 -0.113 25899 3285 1 9 . 1 1 911 911 SER N N 911 116.500 116.500 115.571 0.929 25899 3286 1 9 . 1 1 911 911 SER HA H 911 4.322 4.322 4.159 0.163 25899 3287 1 9 . 1 1 911 911 SER C C 911 177.300 177.300 176.918 0.382 25899 3288 1 9 . 1 1 911 911 SER CA C 911 62.340 62.340 62.418 -0.078 25899 3289 1 9 . 1 1 911 911 SER CB C 911 62.990 62.990 62.935 0.055 25899 3290 1 9 . 1 1 911 911 SER H H 911 8.142 8.142 8.231 -0.089 25899 3291 1 9 . 1 1 912 912 LEU N N 912 125.300 125.300 122.301 2.999 25899 3292 1 9 . 1 1 912 912 LEU HA H 912 4.213 4.213 4.056 0.157 25899 3293 1 9 . 1 1 912 912 LEU C C 912 179.500 179.500 178.807 0.693 25899 3294 1 9 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.376 0.014 25899 3295 1 9 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.815 -0.195 25899 3296 1 9 . 1 1 912 912 LEU H H 912 8.651 8.651 7.953 0.698 25899 3297 1 9 . 1 1 913 913 THR N N 913 120.000 120.000 116.642 3.358 25899 3298 1 9 . 1 1 913 913 THR HA H 913 3.983 3.983 3.858 0.125 25899 3299 1 9 . 1 1 913 913 THR C C 913 176.800 176.800 176.909 -0.109 25899 3300 1 9 . 1 1 913 913 THR CA C 913 67.130 67.130 67.663 -0.533 25899 3301 1 9 . 1 1 913 913 THR CB C 913 68.680 68.680 68.527 0.153 25899 3302 1 9 . 1 1 913 913 THR H H 913 8.419 8.419 8.113 0.306 25899 3303 1 9 . 1 1 914 914 GLU N N 914 122.200 122.200 121.388 0.812 25899 3304 1 9 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.024 0.034 25899 3305 1 9 . 1 1 914 914 GLU C C 914 178.800 178.800 178.885 -0.085 25899 3306 1 9 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.304 0.516 25899 3307 1 9 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.532 0.068 25899 3308 1 9 . 1 1 914 914 GLU H H 914 8.189 8.189 7.849 0.340 25899 3309 1 9 . 1 1 915 915 ALA N N 915 1.501 1.501 122.218 -120.717 25899 3310 1 9 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.056 0.161 25899 3311 1 9 . 1 1 915 915 ALA C C 915 180.700 180.700 179.527 1.173 25899 3312 1 9 . 1 1 915 915 ALA CA C 915 55.200 55.200 54.958 0.242 25899 3313 1 9 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.356 -0.456 25899 3314 1 9 . 1 1 915 915 ALA H H 915 8.315 8.315 8.461 -0.146 25899 3315 1 9 . 1 1 916 916 SER N N 916 115.000 115.000 114.703 0.297 25899 3316 1 9 . 1 1 916 916 SER HA H 916 4.233 4.233 4.194 0.039 25899 3317 1 9 . 1 1 916 916 SER C C 916 176.700 176.700 176.610 0.090 25899 3318 1 9 . 1 1 916 916 SER CA C 916 62.080 62.080 61.569 0.511 25899 3319 1 9 . 1 1 916 916 SER CB C 916 62.710 62.710 63.031 -0.321 25899 3320 1 9 . 1 1 916 916 SER H H 916 8.238 8.238 8.301 -0.063 25899 3321 1 9 . 1 1 917 917 LEU N N 917 123.500 123.500 121.860 1.640 25899 3322 1 9 . 1 1 917 917 LEU HA H 917 4.113 4.113 3.919 0.194 25899 3323 1 9 . 1 1 917 917 LEU C C 917 180.000 180.000 178.382 1.618 25899 3324 1 9 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.857 0.323 25899 3325 1 9 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.678 -0.038 25899 3326 1 9 . 1 1 917 917 LEU H H 917 7.880 7.880 7.703 0.177 25899 3327 1 9 . 1 1 918 918 GLN N N 918 119.000 119.000 118.925 0.075 25899 3328 1 9 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.944 0.156 25899 3329 1 9 . 1 1 918 918 GLN C C 918 178.900 178.900 178.392 0.508 25899 3330 1 9 . 1 1 918 918 GLN CA C 918 58.910 58.910 59.248 -0.339 25899 3331 1 9 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.506 -0.216 25899 3332 1 9 . 1 1 918 918 GLN H H 918 8.201 8.201 7.785 0.416 25899 3333 1 9 . 1 1 919 919 LYS N N 919 120.300 120.300 119.561 0.739 25899 3334 1 9 . 1 1 919 919 LYS HA H 919 3.883 3.883 4.035 -0.152 25899 3335 1 9 . 1 1 919 919 LYS C C 919 177.600 177.600 179.261 -1.661 25899 3336 1 9 . 1 1 919 919 LYS CA C 919 60.600 60.600 58.631 1.969 25899 3337 1 9 . 1 1 919 919 LYS CB C 919 32.380 32.380 31.913 0.467 25899 3338 1 9 . 1 1 919 919 LYS H H 919 8.191 8.191 7.679 0.512 25899 3339 1 9 . 1 1 920 920 LEU N N 920 119.100 119.100 120.225 -1.125 25899 3340 1 9 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.973 0.210 25899 3341 1 9 . 1 1 920 920 LEU C C 920 179.500 179.500 178.921 0.579 25899 3342 1 9 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.665 -0.395 25899 3343 1 9 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.477 0.373 25899 3344 1 9 . 1 1 920 920 LEU H H 920 7.738 7.738 7.934 -0.196 25899 3345 1 9 . 1 1 921 921 GLN N N 921 117.500 117.500 118.068 -0.568 25899 3346 1 9 . 1 1 921 921 GLN HA H 921 4.170 4.170 4.033 0.137 25899 3347 1 9 . 1 1 921 921 GLN C C 921 180.000 180.000 179.033 0.967 25899 3348 1 9 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.387 0.713 25899 3349 1 9 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.347 0.123 25899 3350 1 9 . 1 1 921 921 GLN H H 921 7.828 7.828 7.708 0.120 25899 3351 1 9 . 1 1 922 922 LEU N N 922 121.500 121.500 120.277 1.223 25899 3352 1 9 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.924 0.040 25899 3353 1 9 . 1 1 922 922 LEU C C 922 178.700 178.700 178.878 -0.178 25899 3354 1 9 . 1 1 922 922 LEU CA C 922 58.160 58.160 57.947 0.213 25899 3355 1 9 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.530 2.060 25899 3356 1 9 . 1 1 922 922 LEU H H 922 8.078 8.078 7.854 0.224 25899 3357 1 9 . 1 1 923 923 GLU N N 923 120.400 120.400 119.775 0.625 25899 3358 1 9 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.895 0.001 25899 3359 1 9 . 1 1 923 923 GLU C C 923 180.100 180.100 179.155 0.945 25899 3360 1 9 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.812 0.628 25899 3361 1 9 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.193 0.077 25899 3362 1 9 . 1 1 923 923 GLU H H 923 8.738 8.738 8.085 0.653 25899 3363 1 9 . 1 1 924 924 ASP N N 924 120.100 120.100 119.634 0.466 25899 3364 1 9 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.375 0.095 25899 3365 1 9 . 1 1 924 924 ASP C C 924 178.800 178.800 178.362 0.438 25899 3366 1 9 . 1 1 924 924 ASP CA C 924 57.490 57.490 57.185 0.305 25899 3367 1 9 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.140 0.350 25899 3368 1 9 . 1 1 924 924 ASP H H 924 8.102 8.102 7.872 0.230 25899 3369 1 9 . 1 1 925 925 LYS N N 925 122.500 122.500 120.995 1.505 25899 3370 1 9 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.060 0.160 25899 3371 1 9 . 1 1 925 925 LYS C C 925 178.700 178.700 178.978 -0.278 25899 3372 1 9 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.543 -0.923 25899 3373 1 9 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.614 -1.063 25899 3374 1 9 . 1 1 925 925 LYS H H 925 7.825 7.825 7.519 0.305 25899 3375 1 9 . 1 1 926 926 VAL N N 926 120.000 120.000 119.345 0.655 25899 3376 1 9 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.569 -0.133 25899 3377 1 9 . 1 1 926 926 VAL C C 926 177.300 177.300 177.719 -0.419 25899 3378 1 9 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.917 0.903 25899 3379 1 9 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.754 -0.054 25899 3380 1 9 . 1 1 926 926 VAL H H 926 8.578 8.578 8.411 0.167 25899 3381 1 9 . 1 1 927 927 GLU N N 927 118.000 118.000 120.040 -2.040 25899 3382 1 9 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.968 0.143 25899 3383 1 9 . 1 1 927 927 GLU C C 927 179.600 179.600 178.849 0.751 25899 3384 1 9 . 1 1 927 927 GLU CA C 927 59.940 59.940 59.618 0.322 25899 3385 1 9 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.124 0.146 25899 3386 1 9 . 1 1 927 927 GLU H H 927 7.848 7.848 8.667 -0.819 25899 3387 1 9 . 1 1 928 928 GLU N N 928 120.900 120.900 119.338 1.562 25899 3388 1 9 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.115 -0.003 25899 3389 1 9 . 1 1 928 928 GLU C C 928 179.700 179.700 179.221 0.479 25899 3390 1 9 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.067 0.423 25899 3391 1 9 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.510 0.310 25899 3392 1 9 . 1 1 928 928 GLU H H 928 8.139 8.139 7.970 0.169 25899 3393 1 9 . 1 1 929 929 LEU N N 929 120.600 120.600 120.190 0.410 25899 3394 1 9 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.137 -0.112 25899 3395 1 9 . 1 1 929 929 LEU C C 929 179.600 179.600 179.281 0.319 25899 3396 1 9 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.339 0.721 25899 3397 1 9 . 1 1 929 929 LEU CB C 929 43.360 43.360 40.992 2.368 25899 3398 1 9 . 1 1 929 929 LEU H H 929 8.557 8.557 8.189 0.368 25899 3399 1 9 . 1 1 930 930 LEU N N 930 122.000 122.000 120.798 1.202 25899 3400 1 9 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.996 0.071 25899 3401 1 9 . 1 1 930 930 LEU C C 930 180.000 180.000 178.561 1.439 25899 3402 1 9 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.422 -0.132 25899 3403 1 9 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.818 0.272 25899 3404 1 9 . 1 1 930 930 LEU H H 930 9.107 9.107 8.813 0.294 25899 3405 1 9 . 1 1 931 931 SER N N 931 114.800 114.800 115.116 -0.316 25899 3406 1 9 . 1 1 931 931 SER HA H 931 4.346 4.346 4.116 0.230 25899 3407 1 9 . 1 1 931 931 SER C C 931 177.700 177.700 176.779 0.921 25899 3408 1 9 . 1 1 931 931 SER CA C 931 61.790 61.790 62.041 -0.251 25899 3409 1 9 . 1 1 931 931 SER CB C 931 62.830 62.830 63.065 -0.235 25899 3410 1 9 . 1 1 931 931 SER H H 931 7.883 7.883 8.219 -0.336 25899 3411 1 9 . 1 1 932 932 LYS N N 932 122.200 122.200 121.877 0.323 25899 3412 1 9 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.139 0.081 25899 3413 1 9 . 1 1 932 932 LYS C C 932 178.800 178.800 178.961 -0.161 25899 3414 1 9 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.948 -0.168 25899 3415 1 9 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.381 0.399 25899 3416 1 9 . 1 1 932 932 LYS H H 932 8.202 8.202 7.997 0.205 25899 3417 1 9 . 1 1 933 933 ASN N N 933 119.500 119.500 119.268 0.232 25899 3418 1 9 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.413 -0.012 25899 3419 1 9 . 1 1 933 933 ASN C C 933 176.800 176.800 177.604 -0.804 25899 3420 1 9 . 1 1 933 933 ASN CA C 933 57.330 57.330 56.266 1.064 25899 3421 1 9 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.595 0.415 25899 3422 1 9 . 1 1 933 933 ASN H H 933 8.777 8.777 8.522 0.255 25899 3423 1 9 . 1 1 934 934 TYR N N 934 120.300 120.300 122.232 -1.932 25899 3424 1 9 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.271 0.101 25899 3425 1 9 . 1 1 934 934 TYR C C 934 178.200 178.200 177.775 0.425 25899 3426 1 9 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.399 -0.559 25899 3427 1 9 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.356 -0.426 25899 3428 1 9 . 1 1 934 934 TYR H H 934 8.236 8.236 8.411 -0.175 25899 3429 1 9 . 1 1 935 935 HIS N N 935 118.000 118.000 117.551 0.449 25899 3430 1 9 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.170 0.183 25899 3431 1 9 . 1 1 935 935 HIS C C 935 178.600 178.600 177.858 0.742 25899 3432 1 9 . 1 1 935 935 HIS CA C 935 59.910 59.910 60.301 -0.391 25899 3433 1 9 . 1 1 935 935 HIS CB C 935 29.790 29.790 29.980 -0.190 25899 3434 1 9 . 1 1 935 935 HIS H H 935 7.817 7.817 7.913 -0.096 25899 3435 1 9 . 1 1 936 936 LEU N N 936 120.500 120.500 120.522 -0.022 25899 3436 1 9 . 1 1 936 936 LEU HA H 936 4.123 4.123 4.085 0.038 25899 3437 1 9 . 1 1 936 936 LEU C C 936 178.900 178.900 178.981 -0.081 25899 3438 1 9 . 1 1 936 936 LEU CA C 936 58.220 58.220 58.070 0.150 25899 3439 1 9 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.612 2.028 25899 3440 1 9 . 1 1 936 936 LEU H H 936 8.522 8.522 8.770 -0.248 25899 3441 1 9 . 1 1 937 937 GLU N N 937 119.600 119.600 119.848 -0.248 25899 3442 1 9 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.820 0.091 25899 3443 1 9 . 1 1 937 937 GLU C C 937 180.300 180.300 179.262 1.038 25899 3444 1 9 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.843 0.437 25899 3445 1 9 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.177 0.093 25899 3446 1 9 . 1 1 937 937 GLU H H 937 8.856 8.856 8.716 0.140 25899 3447 1 9 . 1 1 938 938 ASN N N 938 118.900 118.900 117.747 1.153 25899 3448 1 9 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.384 0.050 25899 3449 1 9 . 1 1 938 938 ASN C C 938 177.900 177.900 177.955 -0.055 25899 3450 1 9 . 1 1 938 938 ASN CA C 938 56.100 56.100 55.837 0.263 25899 3451 1 9 . 1 1 938 938 ASN CB C 938 38.010 38.010 37.767 0.243 25899 3452 1 9 . 1 1 938 938 ASN H H 938 7.735 7.735 7.817 -0.082 25899 3453 1 9 . 1 1 939 939 GLU N N 939 123.800 123.800 120.588 3.212 25899 3454 1 9 . 1 1 939 939 GLU HA H 939 4.442 4.442 4.017 0.425 25899 3455 1 9 . 1 1 939 939 GLU C C 939 178.400 178.400 179.004 -0.604 25899 3456 1 9 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.572 -0.862 25899 3457 1 9 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.885 0.245 25899 3458 1 9 . 1 1 939 939 GLU H H 939 8.098 8.098 7.722 0.376 25899 3459 1 9 . 1 1 940 940 VAL N N 940 120.000 120.000 117.175 2.825 25899 3460 1 9 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.736 -0.336 25899 3461 1 9 . 1 1 940 940 VAL C C 940 177.400 177.400 177.591 -0.191 25899 3462 1 9 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.238 1.482 25899 3463 1 9 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.048 0.582 25899 3464 1 9 . 1 1 940 940 VAL H H 940 8.669 8.669 8.345 0.324 25899 3465 1 9 . 1 1 941 941 ALA N N 941 119.800 119.800 122.806 -3.006 25899 3466 1 9 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.963 0.051 25899 3467 1 9 . 1 1 941 941 ALA C C 941 180.500 180.500 179.396 1.104 25899 3468 1 9 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.301 0.099 25899 3469 1 9 . 1 1 941 941 ALA CB C 941 18.030 18.030 17.984 0.046 25899 3470 1 9 . 1 1 941 941 ALA H H 941 7.725 7.725 8.457 -0.732 25899 3471 1 9 . 1 1 942 942 ARG N N 942 119.400 119.400 119.281 0.119 25899 3472 1 9 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.039 -0.074 25899 3473 1 9 . 1 1 942 942 ARG C C 942 179.300 179.300 178.774 0.526 25899 3474 1 9 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.303 0.217 25899 3475 1 9 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.229 0.511 25899 3476 1 9 . 1 1 942 942 ARG H H 942 7.904 7.904 7.898 0.006 25899 3477 1 9 . 1 1 943 943 LEU N N 943 120.100 120.100 119.436 0.664 25899 3478 1 9 . 1 1 943 943 LEU HA H 943 3.972 3.972 4.009 -0.037 25899 3479 1 9 . 1 1 943 943 LEU C C 943 179.300 179.300 178.905 0.395 25899 3480 1 9 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.532 0.548 25899 3481 1 9 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.792 2.148 25899 3482 1 9 . 1 1 943 943 LEU H H 943 8.417 8.417 7.804 0.613 25899 3483 1 9 . 1 1 944 944 LYS N N 944 118.700 118.700 119.816 -1.116 25899 3484 1 9 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.910 -0.086 25899 3485 1 9 . 1 1 944 944 LYS C C 944 179.500 179.500 178.876 0.624 25899 3486 1 9 . 1 1 944 944 LYS CA C 944 60.800 60.800 60.074 0.726 25899 3487 1 9 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.123 0.337 25899 3488 1 9 . 1 1 944 944 LYS H H 944 8.955 8.955 8.589 0.366 25899 3489 1 9 . 1 1 945 945 LYS N N 945 117.000 117.000 119.421 -2.421 25899 3490 1 9 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.079 0.085 25899 3491 1 9 . 1 1 945 945 LYS C C 945 179.000 179.000 179.108 -0.108 25899 3492 1 9 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.446 -0.776 25899 3493 1 9 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.285 -0.015 25899 3494 1 9 . 1 1 945 945 LYS H H 945 7.291 7.291 7.879 -0.588 25899 3495 1 9 . 1 1 946 946 LEU N N 946 118.700 118.700 118.418 0.282 25899 3496 1 9 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.047 0.156 25899 3497 1 9 . 1 1 946 946 LEU C C 946 179.000 179.000 178.814 0.186 25899 3498 1 9 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.093 0.027 25899 3499 1 9 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.809 0.871 25899 3500 1 9 . 1 1 946 946 LEU H H 946 7.441 7.441 7.261 0.180 25899 3501 1 9 . 1 1 947 947 VAL N N 947 113.800 113.800 116.855 -3.055 25899 3502 1 9 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.863 0.285 25899 3503 1 9 . 1 1 947 947 VAL C C 947 176.600 176.600 176.949 -0.349 25899 3504 1 9 . 1 1 947 947 VAL CA C 947 62.750 62.750 64.370 -1.620 25899 3505 1 9 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.758 -0.138 25899 3506 1 9 . 1 1 947 947 VAL H H 947 7.677 7.677 7.560 0.117 25899 3507 1 9 . 1 1 948 948 GLY N N 948 109.600 109.600 105.621 3.979 25899 3508 1 9 . 1 1 948 948 GLY C C 948 174.200 174.200 173.649 0.551 25899 3509 1 9 . 1 1 948 948 GLY CA C 948 46.020 46.020 44.762 1.258 25899 3510 1 9 . 1 1 948 948 GLY H H 948 7.853 7.853 8.227 -0.374 25899 3511 1 10 . 1 1 883 883 HIS C C 883 175.500 175.500 176.460 -0.960 25899 3512 1 10 . 1 1 883 883 HIS CA C 883 56.720 56.720 57.404 -0.684 25899 3513 1 10 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.675 0.365 25899 3514 1 10 . 1 1 884 884 GLU N N 884 121.300 121.300 121.145 0.155 25899 3515 1 10 . 1 1 884 884 GLU HA H 884 4.223 4.223 3.827 0.396 25899 3516 1 10 . 1 1 884 884 GLU C C 884 176.600 176.600 178.014 -1.414 25899 3517 1 10 . 1 1 884 884 GLU CA C 884 57.510 57.510 58.814 -1.304 25899 3518 1 10 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.052 0.998 25899 3519 1 10 . 1 1 884 884 GLU H H 884 8.428 8.428 8.290 0.138 25899 3520 1 10 . 1 1 885 885 ASN N N 885 119.500 119.500 117.990 1.510 25899 3521 1 10 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.370 0.320 25899 3522 1 10 . 1 1 885 885 ASN C C 885 175.900 175.900 177.302 -1.402 25899 3523 1 10 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.802 -2.042 25899 3524 1 10 . 1 1 885 885 ASN CB C 885 38.730 38.730 37.912 0.818 25899 3525 1 10 . 1 1 885 885 ASN H H 885 8.474 8.474 7.930 0.544 25899 3526 1 10 . 1 1 886 886 LYS N N 886 121.700 121.700 119.875 1.825 25899 3527 1 10 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.021 0.209 25899 3528 1 10 . 1 1 886 886 LYS C C 886 177.700 177.700 178.779 -1.079 25899 3529 1 10 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.640 -1.900 25899 3530 1 10 . 1 1 886 886 LYS CB C 886 32.560 32.560 31.792 0.768 25899 3531 1 10 . 1 1 886 886 LYS H H 886 8.311 8.311 7.870 0.441 25899 3532 1 10 . 1 1 887 887 GLN N N 887 119.600 119.600 119.854 -0.254 25899 3533 1 10 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.270 -0.031 25899 3534 1 10 . 1 1 887 887 GLN C C 887 177.200 177.200 178.585 -1.385 25899 3535 1 10 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.639 -0.409 25899 3536 1 10 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.844 0.066 25899 3537 1 10 . 1 1 887 887 GLN H H 887 8.247 8.247 7.758 0.489 25899 3538 1 10 . 1 1 888 888 VAL N N 888 119.100 119.100 119.098 0.002 25899 3539 1 10 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.662 0.120 25899 3540 1 10 . 1 1 888 888 VAL C C 888 177.600 177.600 178.355 -0.755 25899 3541 1 10 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.251 -0.931 25899 3542 1 10 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.187 0.803 25899 3543 1 10 . 1 1 888 888 VAL H H 888 7.843 7.843 7.863 -0.020 25899 3544 1 10 . 1 1 889 889 GLU N N 889 120.400 120.400 120.016 0.384 25899 3545 1 10 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.989 -0.011 25899 3546 1 10 . 1 1 889 889 GLU C C 889 178.900 178.900 178.952 -0.052 25899 3547 1 10 . 1 1 889 889 GLU CA C 889 59.640 59.640 60.034 -0.394 25899 3548 1 10 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.552 -0.082 25899 3549 1 10 . 1 1 889 889 GLU H H 889 8.090 8.090 8.793 -0.703 25899 3550 1 10 . 1 1 890 890 GLU N N 890 120.700 120.700 119.185 1.515 25899 3551 1 10 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.063 0.201 25899 3552 1 10 . 1 1 890 890 GLU C C 890 178.200 178.200 178.954 -0.754 25899 3553 1 10 . 1 1 890 890 GLU CA C 890 59.120 59.120 58.987 0.133 25899 3554 1 10 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.380 0.290 25899 3555 1 10 . 1 1 890 890 GLU H H 890 8.133 8.133 8.168 -0.035 25899 3556 1 10 . 1 1 891 891 ILE N N 891 119.400 119.400 121.321 -1.921 25899 3557 1 10 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.769 -0.218 25899 3558 1 10 . 1 1 891 891 ILE C C 891 177.400 177.400 177.535 -0.135 25899 3559 1 10 . 1 1 891 891 ILE CA C 891 65.820 65.820 63.883 1.937 25899 3560 1 10 . 1 1 891 891 ILE CB C 891 37.900 37.900 38.105 -0.205 25899 3561 1 10 . 1 1 891 891 ILE H H 891 7.799 7.799 7.665 0.134 25899 3562 1 10 . 1 1 892 892 LEU N N 892 118.400 118.400 119.948 -1.548 25899 3563 1 10 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.822 0.286 25899 3564 1 10 . 1 1 892 892 LEU C C 892 180.100 180.100 178.959 1.141 25899 3565 1 10 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.335 -0.265 25899 3566 1 10 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.412 0.278 25899 3567 1 10 . 1 1 892 892 LEU H H 892 7.814 7.814 7.799 0.015 25899 3568 1 10 . 1 1 893 893 ARG N N 893 119.900 119.900 118.938 0.962 25899 3569 1 10 . 1 1 893 893 ARG HA H 893 4.029 4.029 4.005 0.024 25899 3570 1 10 . 1 1 893 893 ARG C C 893 179.500 179.500 178.944 0.556 25899 3571 1 10 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.502 0.289 25899 3572 1 10 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.009 0.132 25899 3573 1 10 . 1 1 893 893 ARG H H 893 7.918 7.918 7.621 0.297 25899 3574 1 10 . 1 1 894 894 LEU N N 894 121.300 121.300 120.173 1.127 25899 3575 1 10 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.063 0.012 25899 3576 1 10 . 1 1 894 894 LEU C C 894 179.200 179.200 179.085 0.115 25899 3577 1 10 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.749 0.381 25899 3578 1 10 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.684 0.826 25899 3579 1 10 . 1 1 894 894 LEU H H 894 8.236 8.236 7.833 0.403 25899 3580 1 10 . 1 1 895 895 GLU N N 895 118.200 118.200 119.746 -1.546 25899 3581 1 10 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.930 0.032 25899 3582 1 10 . 1 1 895 895 GLU C C 895 180.100 180.100 179.229 0.871 25899 3583 1 10 . 1 1 895 895 GLU CA C 895 60.270 60.270 59.971 0.299 25899 3584 1 10 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.184 0.316 25899 3585 1 10 . 1 1 895 895 GLU H H 895 8.780 8.780 8.050 0.730 25899 3586 1 10 . 1 1 896 896 LYS N N 896 120.600 120.600 119.312 1.288 25899 3587 1 10 . 1 1 896 896 LYS C C 896 178.300 178.300 179.031 -0.731 25899 3588 1 10 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.789 -0.809 25899 3589 1 10 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.481 -0.641 25899 3590 1 10 . 1 1 896 896 LYS H H 896 7.884 7.884 7.757 0.127 25899 3591 1 10 . 1 1 897 897 GLU N N 897 121.100 121.100 120.465 0.635 25899 3592 1 10 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.088 0.067 25899 3593 1 10 . 1 1 897 897 GLU C C 897 179.800 179.800 178.974 0.826 25899 3594 1 10 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.205 0.665 25899 3595 1 10 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.845 -0.615 25899 3596 1 10 . 1 1 897 897 GLU H H 897 7.913 7.913 7.752 0.161 25899 3597 1 10 . 1 1 898 898 ILE N N 898 120.000 120.000 120.241 -0.241 25899 3598 1 10 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.722 -0.187 25899 3599 1 10 . 1 1 898 898 ILE C C 898 177.300 177.300 178.013 -0.713 25899 3600 1 10 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.912 1.388 25899 3601 1 10 . 1 1 898 898 ILE CB C 898 38.130 38.130 37.225 0.905 25899 3602 1 10 . 1 1 898 898 ILE H H 898 8.274 8.274 8.651 -0.377 25899 3603 1 10 . 1 1 899 899 GLU N N 899 120.400 120.400 120.854 -0.454 25899 3604 1 10 . 1 1 899 899 GLU HA H 899 4.024 4.024 3.913 0.111 25899 3605 1 10 . 1 1 899 899 GLU C C 899 179.400 179.400 178.583 0.817 25899 3606 1 10 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.858 0.032 25899 3607 1 10 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.502 0.028 25899 3608 1 10 . 1 1 899 899 GLU H H 899 7.891 7.891 8.604 -0.713 25899 3609 1 10 . 1 1 900 900 ASP N N 900 119.600 119.600 120.328 -0.728 25899 3610 1 10 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.393 0.071 25899 3611 1 10 . 1 1 900 900 ASP C C 900 179.800 179.800 178.977 0.823 25899 3612 1 10 . 1 1 900 900 ASP CA C 900 57.710 57.710 57.175 0.535 25899 3613 1 10 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.428 0.132 25899 3614 1 10 . 1 1 900 900 ASP H H 900 8.231 8.231 7.826 0.405 25899 3615 1 10 . 1 1 901 901 LEU N N 901 122.200 122.200 120.342 1.858 25899 3616 1 10 . 1 1 901 901 LEU HA H 901 4.122 4.122 3.891 0.231 25899 3617 1 10 . 1 1 901 901 LEU C C 901 179.900 179.900 178.968 0.932 25899 3618 1 10 . 1 1 901 901 LEU CA C 901 58.370 58.370 58.008 0.362 25899 3619 1 10 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.707 2.043 25899 3620 1 10 . 1 1 901 901 LEU H H 901 8.470 8.470 7.952 0.518 25899 3621 1 10 . 1 1 902 902 GLN N N 902 121.000 121.000 118.873 2.127 25899 3622 1 10 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.916 0.177 25899 3623 1 10 . 1 1 902 902 GLN C C 902 179.100 179.100 178.734 0.366 25899 3624 1 10 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.389 0.031 25899 3625 1 10 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.375 -0.575 25899 3626 1 10 . 1 1 902 902 GLN H H 902 9.079 9.079 8.147 0.932 25899 3627 1 10 . 1 1 903 903 ARG N N 903 119.900 119.900 119.677 0.223 25899 3628 1 10 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.130 0.070 25899 3629 1 10 . 1 1 903 903 ARG C C 903 179.800 179.800 179.059 0.741 25899 3630 1 10 . 1 1 903 903 ARG CA C 903 59.440 59.440 58.900 0.540 25899 3631 1 10 . 1 1 903 903 ARG CB C 903 30.280 30.280 29.765 0.516 25899 3632 1 10 . 1 1 903 903 ARG H H 903 8.107 8.107 7.804 0.303 25899 3633 1 10 . 1 1 904 904 MET N N 904 119.500 119.500 119.093 0.407 25899 3634 1 10 . 1 1 904 904 MET HA H 904 4.218 4.218 4.183 0.035 25899 3635 1 10 . 1 1 904 904 MET C C 904 177.800 177.800 178.480 -0.680 25899 3636 1 10 . 1 1 904 904 MET CA C 904 58.590 58.590 57.822 0.768 25899 3637 1 10 . 1 1 904 904 MET CB C 904 32.280 32.280 31.723 0.557 25899 3638 1 10 . 1 1 904 904 MET H H 904 8.005 8.005 8.044 -0.039 25899 3639 1 10 . 1 1 905 905 LYS N N 905 121.900 121.900 121.068 0.832 25899 3640 1 10 . 1 1 905 905 LYS HA H 905 4.369 4.369 4.046 0.323 25899 3641 1 10 . 1 1 905 905 LYS C C 905 179.300 179.300 178.833 0.467 25899 3642 1 10 . 1 1 905 905 LYS CA C 905 59.290 59.290 59.679 -0.389 25899 3643 1 10 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.406 0.014 25899 3644 1 10 . 1 1 905 905 LYS H H 905 8.465 8.465 8.546 -0.081 25899 3645 1 10 . 1 1 906 906 GLU N N 906 119.200 119.200 119.939 -0.739 25899 3646 1 10 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.026 0.126 25899 3647 1 10 . 1 1 906 906 GLU C C 906 179.400 179.400 179.106 0.294 25899 3648 1 10 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.295 0.064 25899 3649 1 10 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.610 0.010 25899 3650 1 10 . 1 1 906 906 GLU H H 906 8.013 8.013 8.453 -0.440 25899 3651 1 10 . 1 1 907 907 ARG N N 907 120.000 120.000 118.659 1.341 25899 3652 1 10 . 1 1 907 907 ARG HA H 907 4.161 4.161 4.055 0.106 25899 3653 1 10 . 1 1 907 907 ARG C C 907 179.800 179.800 179.058 0.742 25899 3654 1 10 . 1 1 907 907 ARG CA C 907 59.470 59.470 58.928 0.542 25899 3655 1 10 . 1 1 907 907 ARG CB C 907 30.060 30.060 29.838 0.222 25899 3656 1 10 . 1 1 907 907 ARG H H 907 7.946 7.946 8.417 -0.471 25899 3657 1 10 . 1 1 908 908 GLN N N 908 119.300 119.300 119.089 0.211 25899 3658 1 10 . 1 1 908 908 GLN HA H 908 4.269 4.269 3.986 0.283 25899 3659 1 10 . 1 1 908 908 GLN C C 908 178.400 178.400 178.390 0.010 25899 3660 1 10 . 1 1 908 908 GLN CA C 908 59.410 59.410 59.496 -0.086 25899 3661 1 10 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.636 0.824 25899 3662 1 10 . 1 1 908 908 GLN H H 908 8.639 8.639 8.326 0.313 25899 3663 1 10 . 1 1 909 909 GLU N N 909 120.300 120.300 120.587 -0.287 25899 3664 1 10 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.047 -0.027 25899 3665 1 10 . 1 1 909 909 GLU C C 909 179.700 179.700 179.270 0.430 25899 3666 1 10 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.371 0.539 25899 3667 1 10 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.555 -0.165 25899 3668 1 10 . 1 1 909 909 GLU H H 909 8.346 8.346 8.016 0.330 25899 3669 1 10 . 1 1 910 910 LEU N N 910 121.100 121.100 120.074 1.026 25899 3670 1 10 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.011 0.220 25899 3671 1 10 . 1 1 910 910 LEU C C 910 180.100 180.100 178.947 1.153 25899 3672 1 10 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.955 0.415 25899 3673 1 10 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.842 -0.352 25899 3674 1 10 . 1 1 910 910 LEU H H 910 7.825 7.825 8.199 -0.374 25899 3675 1 10 . 1 1 911 911 SER N N 911 116.500 116.500 115.073 1.427 25899 3676 1 10 . 1 1 911 911 SER HA H 911 4.322 4.322 4.151 0.171 25899 3677 1 10 . 1 1 911 911 SER C C 911 177.300 177.300 176.700 0.600 25899 3678 1 10 . 1 1 911 911 SER CA C 911 62.340 62.340 61.805 0.535 25899 3679 1 10 . 1 1 911 911 SER CB C 911 62.990 62.990 63.046 -0.056 25899 3680 1 10 . 1 1 911 911 SER H H 911 8.142 8.142 8.040 0.102 25899 3681 1 10 . 1 1 912 912 LEU N N 912 125.300 125.300 122.051 3.249 25899 3682 1 10 . 1 1 912 912 LEU HA H 912 4.213 4.213 3.975 0.238 25899 3683 1 10 . 1 1 912 912 LEU C C 912 179.500 179.500 178.973 0.527 25899 3684 1 10 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.171 0.219 25899 3685 1 10 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.813 -0.193 25899 3686 1 10 . 1 1 912 912 LEU H H 912 8.651 8.651 8.086 0.565 25899 3687 1 10 . 1 1 913 913 THR N N 913 120.000 120.000 116.039 3.961 25899 3688 1 10 . 1 1 913 913 THR HA H 913 3.983 3.983 3.925 0.058 25899 3689 1 10 . 1 1 913 913 THR C C 913 176.800 176.800 177.106 -0.306 25899 3690 1 10 . 1 1 913 913 THR CA C 913 67.130 67.130 67.357 -0.227 25899 3691 1 10 . 1 1 913 913 THR CB C 913 68.680 68.680 68.394 0.286 25899 3692 1 10 . 1 1 913 913 THR H H 913 8.419 8.419 7.957 0.462 25899 3693 1 10 . 1 1 914 914 GLU N N 914 122.200 122.200 121.419 0.781 25899 3694 1 10 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.063 -0.005 25899 3695 1 10 . 1 1 914 914 GLU C C 914 178.800 178.800 178.829 -0.029 25899 3696 1 10 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.289 0.531 25899 3697 1 10 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.458 0.142 25899 3698 1 10 . 1 1 914 914 GLU H H 914 8.189 8.189 7.931 0.258 25899 3699 1 10 . 1 1 915 915 ALA N N 915 1.501 1.501 122.852 -121.351 25899 3700 1 10 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.040 0.177 25899 3701 1 10 . 1 1 915 915 ALA C C 915 180.700 180.700 179.625 1.075 25899 3702 1 10 . 1 1 915 915 ALA CA C 915 55.200 55.200 55.158 0.042 25899 3703 1 10 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.351 -0.451 25899 3704 1 10 . 1 1 915 915 ALA H H 915 8.315 8.315 8.540 -0.225 25899 3705 1 10 . 1 1 916 916 SER N N 916 115.000 115.000 115.353 -0.353 25899 3706 1 10 . 1 1 916 916 SER HA H 916 4.233 4.233 4.161 0.072 25899 3707 1 10 . 1 1 916 916 SER C C 916 176.700 176.700 176.839 -0.139 25899 3708 1 10 . 1 1 916 916 SER CA C 916 62.080 62.080 62.447 -0.367 25899 3709 1 10 . 1 1 916 916 SER CB C 916 62.710 62.710 62.902 -0.192 25899 3710 1 10 . 1 1 916 916 SER H H 916 8.238 8.238 8.402 -0.164 25899 3711 1 10 . 1 1 917 917 LEU N N 917 123.500 123.500 122.284 1.216 25899 3712 1 10 . 1 1 917 917 LEU HA H 917 4.113 4.113 3.937 0.176 25899 3713 1 10 . 1 1 917 917 LEU C C 917 180.000 180.000 178.442 1.558 25899 3714 1 10 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.923 0.257 25899 3715 1 10 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.655 -0.015 25899 3716 1 10 . 1 1 917 917 LEU H H 917 7.880 7.880 7.790 0.090 25899 3717 1 10 . 1 1 918 918 GLN N N 918 119.000 119.000 119.039 -0.039 25899 3718 1 10 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.952 0.148 25899 3719 1 10 . 1 1 918 918 GLN C C 918 178.900 178.900 178.422 0.478 25899 3720 1 10 . 1 1 918 918 GLN CA C 918 58.910 58.910 59.284 -0.374 25899 3721 1 10 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.564 -0.274 25899 3722 1 10 . 1 1 918 918 GLN H H 918 8.201 8.201 7.803 0.398 25899 3723 1 10 . 1 1 919 919 LYS N N 919 120.300 120.300 119.517 0.783 25899 3724 1 10 . 1 1 919 919 LYS HA H 919 3.883 3.883 4.039 -0.156 25899 3725 1 10 . 1 1 919 919 LYS C C 919 177.600 177.600 179.252 -1.652 25899 3726 1 10 . 1 1 919 919 LYS CA C 919 60.600 60.600 58.553 2.047 25899 3727 1 10 . 1 1 919 919 LYS CB C 919 32.380 32.380 31.941 0.440 25899 3728 1 10 . 1 1 919 919 LYS H H 919 8.191 8.191 7.870 0.321 25899 3729 1 10 . 1 1 920 920 LEU N N 920 119.100 119.100 120.157 -1.057 25899 3730 1 10 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.921 0.262 25899 3731 1 10 . 1 1 920 920 LEU C C 920 179.500 179.500 178.844 0.656 25899 3732 1 10 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.533 -0.263 25899 3733 1 10 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.605 0.245 25899 3734 1 10 . 1 1 920 920 LEU H H 920 7.738 7.738 8.184 -0.446 25899 3735 1 10 . 1 1 921 921 GLN N N 921 117.500 117.500 117.976 -0.476 25899 3736 1 10 . 1 1 921 921 GLN HA H 921 4.170 4.170 4.048 0.122 25899 3737 1 10 . 1 1 921 921 GLN C C 921 180.000 180.000 178.951 1.049 25899 3738 1 10 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.354 0.746 25899 3739 1 10 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.276 0.194 25899 3740 1 10 . 1 1 921 921 GLN H H 921 7.828 7.828 7.745 0.083 25899 3741 1 10 . 1 1 922 922 LEU N N 922 121.500 121.500 120.439 1.061 25899 3742 1 10 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.970 -0.006 25899 3743 1 10 . 1 1 922 922 LEU C C 922 178.700 178.700 178.959 -0.259 25899 3744 1 10 . 1 1 922 922 LEU CA C 922 58.160 58.160 58.209 -0.049 25899 3745 1 10 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.542 2.048 25899 3746 1 10 . 1 1 922 922 LEU H H 922 8.078 8.078 7.796 0.282 25899 3747 1 10 . 1 1 923 923 GLU N N 923 120.400 120.400 119.853 0.547 25899 3748 1 10 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.894 0.002 25899 3749 1 10 . 1 1 923 923 GLU C C 923 180.100 180.100 179.151 0.949 25899 3750 1 10 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.801 0.639 25899 3751 1 10 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.138 0.132 25899 3752 1 10 . 1 1 923 923 GLU H H 923 8.738 8.738 8.094 0.644 25899 3753 1 10 . 1 1 924 924 ASP N N 924 120.100 120.100 120.075 0.025 25899 3754 1 10 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.446 0.024 25899 3755 1 10 . 1 1 924 924 ASP C C 924 178.800 178.800 178.792 0.008 25899 3756 1 10 . 1 1 924 924 ASP CA C 924 57.490 57.490 56.991 0.499 25899 3757 1 10 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.257 0.233 25899 3758 1 10 . 1 1 924 924 ASP H H 924 8.102 8.102 7.939 0.163 25899 3759 1 10 . 1 1 925 925 LYS N N 925 122.500 122.500 120.675 1.825 25899 3760 1 10 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.075 0.145 25899 3761 1 10 . 1 1 925 925 LYS C C 925 178.700 178.700 179.193 -0.493 25899 3762 1 10 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.631 -1.011 25899 3763 1 10 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.660 -1.110 25899 3764 1 10 . 1 1 925 925 LYS H H 925 7.825 7.825 7.537 0.288 25899 3765 1 10 . 1 1 926 926 VAL N N 926 120.000 120.000 119.812 0.188 25899 3766 1 10 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.575 -0.139 25899 3767 1 10 . 1 1 926 926 VAL C C 926 177.300 177.300 177.595 -0.295 25899 3768 1 10 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.931 0.889 25899 3769 1 10 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.654 0.046 25899 3770 1 10 . 1 1 926 926 VAL H H 926 8.578 8.578 8.413 0.165 25899 3771 1 10 . 1 1 927 927 GLU N N 927 118.000 118.000 120.480 -2.480 25899 3772 1 10 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.911 0.200 25899 3773 1 10 . 1 1 927 927 GLU C C 927 179.600 179.600 178.867 0.733 25899 3774 1 10 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.267 -0.327 25899 3775 1 10 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.466 -0.196 25899 3776 1 10 . 1 1 927 927 GLU H H 927 7.848 7.848 8.669 -0.821 25899 3777 1 10 . 1 1 928 928 GLU N N 928 120.900 120.900 119.481 1.419 25899 3778 1 10 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.055 0.057 25899 3779 1 10 . 1 1 928 928 GLU C C 928 179.700 179.700 179.253 0.447 25899 3780 1 10 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.015 0.475 25899 3781 1 10 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.675 0.145 25899 3782 1 10 . 1 1 928 928 GLU H H 928 8.139 8.139 8.064 0.075 25899 3783 1 10 . 1 1 929 929 LEU N N 929 120.600 120.600 121.622 -1.022 25899 3784 1 10 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.110 -0.085 25899 3785 1 10 . 1 1 929 929 LEU C C 929 179.600 179.600 178.460 1.140 25899 3786 1 10 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.872 0.188 25899 3787 1 10 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.883 1.477 25899 3788 1 10 . 1 1 929 929 LEU H H 929 8.557 8.557 8.196 0.361 25899 3789 1 10 . 1 1 930 930 LEU N N 930 122.000 122.000 119.601 2.399 25899 3790 1 10 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.900 0.167 25899 3791 1 10 . 1 1 930 930 LEU C C 930 180.000 180.000 178.633 1.367 25899 3792 1 10 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.767 -0.477 25899 3793 1 10 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.514 0.576 25899 3794 1 10 . 1 1 930 930 LEU H H 930 9.107 9.107 8.737 0.370 25899 3795 1 10 . 1 1 931 931 SER N N 931 114.800 114.800 114.613 0.187 25899 3796 1 10 . 1 1 931 931 SER HA H 931 4.346 4.346 4.260 0.086 25899 3797 1 10 . 1 1 931 931 SER C C 931 177.700 177.700 176.923 0.777 25899 3798 1 10 . 1 1 931 931 SER CA C 931 61.790 61.790 62.385 -0.595 25899 3799 1 10 . 1 1 931 931 SER CB C 931 62.830 62.830 63.054 -0.224 25899 3800 1 10 . 1 1 931 931 SER H H 931 7.883 7.883 8.174 -0.291 25899 3801 1 10 . 1 1 932 932 LYS N N 932 122.200 122.200 121.460 0.740 25899 3802 1 10 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.047 0.173 25899 3803 1 10 . 1 1 932 932 LYS C C 932 178.800 178.800 179.024 -0.224 25899 3804 1 10 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.777 0.003 25899 3805 1 10 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.418 0.362 25899 3806 1 10 . 1 1 932 932 LYS H H 932 8.202 8.202 8.247 -0.045 25899 3807 1 10 . 1 1 933 933 ASN N N 933 119.500 119.500 118.610 0.890 25899 3808 1 10 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.504 -0.103 25899 3809 1 10 . 1 1 933 933 ASN C C 933 176.800 176.800 177.312 -0.512 25899 3810 1 10 . 1 1 933 933 ASN CA C 933 57.330 57.330 55.840 1.490 25899 3811 1 10 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.423 0.587 25899 3812 1 10 . 1 1 933 933 ASN H H 933 8.777 8.777 8.554 0.223 25899 3813 1 10 . 1 1 934 934 TYR N N 934 120.300 120.300 121.711 -1.411 25899 3814 1 10 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.204 0.168 25899 3815 1 10 . 1 1 934 934 TYR C C 934 178.200 178.200 177.991 0.209 25899 3816 1 10 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.802 -0.962 25899 3817 1 10 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.153 -0.223 25899 3818 1 10 . 1 1 934 934 TYR H H 934 8.236 8.236 8.745 -0.509 25899 3819 1 10 . 1 1 935 935 HIS N N 935 118.000 118.000 118.286 -0.286 25899 3820 1 10 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.096 0.257 25899 3821 1 10 . 1 1 935 935 HIS C C 935 178.600 178.600 177.713 0.887 25899 3822 1 10 . 1 1 935 935 HIS CA C 935 59.910 59.910 60.764 -0.854 25899 3823 1 10 . 1 1 935 935 HIS CB C 935 29.790 29.790 29.657 0.133 25899 3824 1 10 . 1 1 935 935 HIS H H 935 7.817 7.817 8.107 -0.290 25899 3825 1 10 . 1 1 936 936 LEU N N 936 120.500 120.500 120.533 -0.033 25899 3826 1 10 . 1 1 936 936 LEU HA H 936 4.123 4.123 3.975 0.148 25899 3827 1 10 . 1 1 936 936 LEU C C 936 178.900 178.900 179.031 -0.131 25899 3828 1 10 . 1 1 936 936 LEU CA C 936 58.220 58.220 57.964 0.256 25899 3829 1 10 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.706 1.934 25899 3830 1 10 . 1 1 936 936 LEU H H 936 8.522 8.522 8.548 -0.026 25899 3831 1 10 . 1 1 937 937 GLU N N 937 119.600 119.600 119.463 0.137 25899 3832 1 10 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.859 0.052 25899 3833 1 10 . 1 1 937 937 GLU C C 937 180.300 180.300 179.119 1.181 25899 3834 1 10 . 1 1 937 937 GLU CA C 937 60.280 60.280 60.125 0.155 25899 3835 1 10 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.415 -0.145 25899 3836 1 10 . 1 1 937 937 GLU H H 937 8.856 8.856 8.789 0.067 25899 3837 1 10 . 1 1 938 938 ASN N N 938 118.900 118.900 118.485 0.415 25899 3838 1 10 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.286 0.148 25899 3839 1 10 . 1 1 938 938 ASN C C 938 177.900 177.900 177.896 0.004 25899 3840 1 10 . 1 1 938 938 ASN CA C 938 56.100 56.100 56.207 -0.107 25899 3841 1 10 . 1 1 938 938 ASN CB C 938 38.010 38.010 38.234 -0.224 25899 3842 1 10 . 1 1 938 938 ASN H H 938 7.735 7.735 8.041 -0.306 25899 3843 1 10 . 1 1 939 939 GLU N N 939 123.800 123.800 120.956 2.844 25899 3844 1 10 . 1 1 939 939 GLU HA H 939 4.442 4.442 4.010 0.432 25899 3845 1 10 . 1 1 939 939 GLU C C 939 178.400 178.400 179.037 -0.637 25899 3846 1 10 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.373 -0.663 25899 3847 1 10 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.838 0.292 25899 3848 1 10 . 1 1 939 939 GLU H H 939 8.098 8.098 7.769 0.329 25899 3849 1 10 . 1 1 940 940 VAL N N 940 120.000 120.000 119.724 0.276 25899 3850 1 10 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.707 -0.307 25899 3851 1 10 . 1 1 940 940 VAL C C 940 177.400 177.400 178.129 -0.729 25899 3852 1 10 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.253 1.467 25899 3853 1 10 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.086 0.544 25899 3854 1 10 . 1 1 940 940 VAL H H 940 8.669 8.669 8.431 0.238 25899 3855 1 10 . 1 1 941 941 ALA N N 941 119.800 119.800 122.289 -2.489 25899 3856 1 10 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.920 0.094 25899 3857 1 10 . 1 1 941 941 ALA C C 941 180.500 180.500 179.017 1.483 25899 3858 1 10 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.377 0.023 25899 3859 1 10 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.150 -0.120 25899 3860 1 10 . 1 1 941 941 ALA H H 941 7.725 7.725 8.653 -0.928 25899 3861 1 10 . 1 1 942 942 ARG N N 942 119.400 119.400 119.169 0.231 25899 3862 1 10 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.040 -0.075 25899 3863 1 10 . 1 1 942 942 ARG C C 942 179.300 179.300 178.762 0.538 25899 3864 1 10 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.191 0.329 25899 3865 1 10 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.157 0.583 25899 3866 1 10 . 1 1 942 942 ARG H H 942 7.904 7.904 7.590 0.314 25899 3867 1 10 . 1 1 943 943 LEU N N 943 120.100 120.100 119.234 0.866 25899 3868 1 10 . 1 1 943 943 LEU HA H 943 3.972 3.972 4.026 -0.054 25899 3869 1 10 . 1 1 943 943 LEU C C 943 179.300 179.300 178.710 0.590 25899 3870 1 10 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.215 0.865 25899 3871 1 10 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.773 2.167 25899 3872 1 10 . 1 1 943 943 LEU H H 943 8.417 8.417 7.663 0.754 25899 3873 1 10 . 1 1 944 944 LYS N N 944 118.700 118.700 119.944 -1.244 25899 3874 1 10 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.903 -0.079 25899 3875 1 10 . 1 1 944 944 LYS C C 944 179.500 179.500 178.567 0.933 25899 3876 1 10 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.399 1.401 25899 3877 1 10 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.021 0.439 25899 3878 1 10 . 1 1 944 944 LYS H H 944 8.955 8.955 8.433 0.522 25899 3879 1 10 . 1 1 945 945 LYS N N 945 117.000 117.000 118.480 -1.480 25899 3880 1 10 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.118 0.046 25899 3881 1 10 . 1 1 945 945 LYS C C 945 179.000 179.000 179.539 -0.539 25899 3882 1 10 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.100 -0.430 25899 3883 1 10 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.272 -0.002 25899 3884 1 10 . 1 1 945 945 LYS H H 945 7.291 7.291 7.697 -0.406 25899 3885 1 10 . 1 1 946 946 LEU N N 946 118.700 118.700 119.878 -1.178 25899 3886 1 10 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.007 0.196 25899 3887 1 10 . 1 1 946 946 LEU C C 946 179.000 179.000 178.312 0.688 25899 3888 1 10 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.352 -0.232 25899 3889 1 10 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.691 0.989 25899 3890 1 10 . 1 1 946 946 LEU H H 946 7.441 7.441 7.601 -0.160 25899 3891 1 10 . 1 1 947 947 VAL N N 947 113.800 113.800 116.702 -2.902 25899 3892 1 10 . 1 1 947 947 VAL HA H 947 4.148 4.148 4.131 0.017 25899 3893 1 10 . 1 1 947 947 VAL C C 947 176.600 176.600 176.556 0.044 25899 3894 1 10 . 1 1 947 947 VAL CA C 947 62.750 62.750 62.955 -0.205 25899 3895 1 10 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.377 0.242 25899 3896 1 10 . 1 1 947 947 VAL H H 947 7.677 7.677 7.479 0.198 25899 3897 1 10 . 1 1 948 948 GLY N N 948 109.600 109.600 107.555 2.045 25899 3898 1 10 . 1 1 948 948 GLY C C 948 174.200 174.200 172.665 1.535 25899 3899 1 10 . 1 1 948 948 GLY CA C 948 46.020 46.020 45.041 0.979 25899 3900 1 10 . 1 1 948 948 GLY H H 948 7.853 7.853 7.947 -0.094 25899 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 65 15.239 1.468 15.286 25899 2 1 1 "Average Difference" HA 65 0.171 -0.097 0.142 25899 3 1 1 "Average Difference" C 66 0.819 -0.162 0.808 25899 4 1 1 "Average Difference" CA 66 0.804 -0.038 0.809 25899 5 1 1 "Average Difference" CB 65 0.737 -0.329 0.665 25899 6 1 1 "Average Difference" HN 65 0.379 -0.116 0.364 25899 7 1 2 "Average Difference" N 65 15.032 1.382 15.085 25899 8 1 2 "Average Difference" HA 65 0.176 -0.094 0.150 25899 9 1 2 "Average Difference" C 66 0.787 -0.169 0.775 25899 10 1 2 "Average Difference" CA 66 0.815 -0.052 0.819 25899 11 1 2 "Average Difference" CB 65 0.716 -0.280 0.665 25899 12 1 2 "Average Difference" HN 65 0.421 -0.151 0.396 25899 13 1 3 "Average Difference" N 65 15.111 1.457 15.157 25899 14 1 3 "Average Difference" HA 65 0.172 -0.089 0.149 25899 15 1 3 "Average Difference" C 66 0.837 -0.192 0.821 25899 16 1 3 "Average Difference" CA 66 0.883 -0.084 0.885 25899 17 1 3 "Average Difference" CB 65 0.695 -0.272 0.645 25899 18 1 3 "Average Difference" HN 65 0.380 -0.102 0.369 25899 19 1 4 "Average Difference" N 65 15.070 1.443 15.118 25899 20 1 4 "Average Difference" HA 65 0.166 -0.083 0.144 25899 21 1 4 "Average Difference" C 66 0.760 -0.150 0.751 25899 22 1 4 "Average Difference" CA 66 0.776 -0.120 0.773 25899 23 1 4 "Average Difference" CB 65 0.736 -0.327 0.665 25899 24 1 4 "Average Difference" HN 65 0.398 -0.131 0.378 25899 25 1 5 "Average Difference" N 65 15.192 1.470 15.239 25899 26 1 5 "Average Difference" HA 65 0.174 -0.098 0.146 25899 27 1 5 "Average Difference" C 66 0.883 -0.175 0.872 25899 28 1 5 "Average Difference" CA 66 0.834 -0.063 0.838 25899 29 1 5 "Average Difference" CB 65 0.693 -0.298 0.631 25899 30 1 5 "Average Difference" HN 65 0.424 -0.133 0.405 25899 31 1 6 "Average Difference" N 65 15.022 1.452 15.068 25899 32 1 6 "Average Difference" HA 65 0.163 -0.088 0.139 25899 33 1 6 "Average Difference" C 66 0.821 -0.127 0.817 25899 34 1 6 "Average Difference" CA 66 0.794 -0.056 0.798 25899 35 1 6 "Average Difference" CB 65 0.729 -0.316 0.662 25899 36 1 6 "Average Difference" HN 65 0.438 -0.117 0.426 25899 37 1 7 "Average Difference" N 65 15.149 1.414 15.200 25899 38 1 7 "Average Difference" HA 65 0.170 -0.093 0.144 25899 39 1 7 "Average Difference" C 66 0.814 -0.180 0.800 25899 40 1 7 "Average Difference" CA 66 0.836 -0.065 0.840 25899 41 1 7 "Average Difference" CB 65 0.718 -0.314 0.651 25899 42 1 7 "Average Difference" HN 65 0.417 -0.120 0.402 25899 43 1 8 "Average Difference" N 65 15.043 1.441 15.090 25899 44 1 8 "Average Difference" HA 65 0.166 -0.086 0.143 25899 45 1 8 "Average Difference" C 66 0.853 -0.186 0.839 25899 46 1 8 "Average Difference" CA 66 0.862 -0.080 0.865 25899 47 1 8 "Average Difference" CB 65 0.708 -0.312 0.640 25899 48 1 8 "Average Difference" HN 65 0.440 -0.179 0.405 25899 49 1 9 "Average Difference" N 65 15.048 1.460 15.094 25899 50 1 9 "Average Difference" HA 65 0.160 -0.085 0.137 25899 51 1 9 "Average Difference" C 66 0.796 -0.190 0.779 25899 52 1 9 "Average Difference" CA 66 0.821 -0.065 0.824 25899 53 1 9 "Average Difference" CB 65 0.741 -0.282 0.690 25899 54 1 9 "Average Difference" HN 65 0.367 -0.087 0.359 25899 55 1 10 "Average Difference" N 65 15.114 1.547 15.152 25899 56 1 10 "Average Difference" HA 65 0.170 -0.091 0.145 25899 57 1 10 "Average Difference" C 66 0.816 -0.208 0.795 25899 58 1 10 "Average Difference" CA 66 0.782 -0.100 0.782 25899 59 1 10 "Average Difference" CB 65 0.696 -0.294 0.636 25899 60 1 10 "Average Difference" HN 65 0.400 -0.086 0.394 25899 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25899 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 883 883 HIS C C 883 175.500 175.500 177.187 -1.687 25899 2 1 . 1 1 883 883 HIS CA C 883 56.720 56.720 58.520 -1.800 25899 3 1 . 1 1 883 883 HIS CB C 883 30.040 30.040 29.622 0.418 25899 4 1 . 1 1 884 884 GLU N N 884 121.300 121.300 120.039 1.261 25899 5 1 . 1 1 884 884 GLU HA H 884 4.223 4.223 3.977 0.246 25899 6 1 . 1 1 884 884 GLU C C 884 176.600 176.600 177.978 -1.378 25899 7 1 . 1 1 884 884 GLU CA C 884 57.510 57.510 58.915 -1.405 25899 8 1 . 1 1 884 884 GLU CB C 884 30.050 30.050 29.130 0.920 25899 9 1 . 1 1 884 884 GLU H H 884 8.428 8.428 8.598 -0.169 25899 10 1 . 1 1 885 885 ASN N N 885 119.500 119.500 118.088 1.413 25899 11 1 . 1 1 885 885 ASN HA H 885 4.690 4.690 4.412 0.278 25899 12 1 . 1 1 885 885 ASN C C 885 175.900 175.900 177.506 -1.606 25899 13 1 . 1 1 885 885 ASN CA C 885 53.760 53.760 55.730 -1.970 25899 14 1 . 1 1 885 885 ASN CB C 885 38.730 38.730 38.057 0.673 25899 15 1 . 1 1 885 885 ASN H H 885 8.474 8.474 7.749 0.725 25899 16 1 . 1 1 886 886 LYS N N 886 121.700 121.700 120.267 1.432 25899 17 1 . 1 1 886 886 LYS HA H 886 4.230 4.230 4.010 0.220 25899 18 1 . 1 1 886 886 LYS C C 886 177.700 177.700 179.060 -1.360 25899 19 1 . 1 1 886 886 LYS CA C 886 57.740 57.740 59.848 -2.108 25899 20 1 . 1 1 886 886 LYS CB C 886 32.560 32.560 32.160 0.400 25899 21 1 . 1 1 886 886 LYS H H 886 8.311 8.311 8.033 0.278 25899 22 1 . 1 1 887 887 GLN N N 887 119.600 119.600 119.445 0.155 25899 23 1 . 1 1 887 887 GLN HA H 887 4.239 4.239 4.092 0.147 25899 24 1 . 1 1 887 887 GLN C C 887 177.200 177.200 178.474 -1.274 25899 25 1 . 1 1 887 887 GLN CA C 887 58.230 58.230 58.790 -0.560 25899 26 1 . 1 1 887 887 GLN CB C 887 28.910 28.910 28.603 0.307 25899 27 1 . 1 1 887 887 GLN H H 887 8.247 8.247 7.693 0.554 25899 28 1 . 1 1 888 888 VAL N N 888 119.100 119.100 119.413 -0.313 25899 29 1 . 1 1 888 888 VAL HA H 888 3.782 3.782 3.617 0.165 25899 30 1 . 1 1 888 888 VAL C C 888 177.600 177.600 178.262 -0.662 25899 31 1 . 1 1 888 888 VAL CA C 888 65.320 65.320 66.583 -1.263 25899 32 1 . 1 1 888 888 VAL CB C 888 31.990 31.990 31.242 0.748 25899 33 1 . 1 1 888 888 VAL H H 888 7.843 7.843 7.968 -0.125 25899 34 1 . 1 1 889 889 GLU N N 889 120.400 120.400 119.371 1.029 25899 35 1 . 1 1 889 889 GLU HA H 889 3.978 3.978 3.984 -0.006 25899 36 1 . 1 1 889 889 GLU C C 889 178.900 178.900 178.974 -0.074 25899 37 1 . 1 1 889 889 GLU CA C 889 59.640 59.640 59.672 -0.032 25899 38 1 . 1 1 889 889 GLU CB C 889 29.470 29.470 29.331 0.139 25899 39 1 . 1 1 889 889 GLU H H 889 8.090 8.090 8.675 -0.585 25899 40 1 . 1 1 890 890 GLU N N 890 120.700 120.700 120.335 0.365 25899 41 1 . 1 1 890 890 GLU HA H 890 4.264 4.264 4.085 0.179 25899 42 1 . 1 1 890 890 GLU C C 890 178.200 178.200 179.036 -0.836 25899 43 1 . 1 1 890 890 GLU CA C 890 59.120 59.120 59.215 -0.095 25899 44 1 . 1 1 890 890 GLU CB C 890 29.670 29.670 29.444 0.226 25899 45 1 . 1 1 890 890 GLU H H 890 8.133 8.133 8.115 0.018 25899 46 1 . 1 1 891 891 ILE N N 891 119.400 119.400 120.756 -1.356 25899 47 1 . 1 1 891 891 ILE HA H 891 3.551 3.551 3.771 -0.220 25899 48 1 . 1 1 891 891 ILE C C 891 177.400 177.400 177.874 -0.474 25899 49 1 . 1 1 891 891 ILE CA C 891 65.820 65.820 64.619 1.201 25899 50 1 . 1 1 891 891 ILE CB C 891 37.900 37.900 37.841 0.060 25899 51 1 . 1 1 891 891 ILE H H 891 7.799 7.799 8.001 -0.202 25899 52 1 . 1 1 892 892 LEU N N 892 118.400 118.400 120.510 -2.110 25899 53 1 . 1 1 892 892 LEU HA H 892 4.108 4.108 3.912 0.196 25899 54 1 . 1 1 892 892 LEU C C 892 180.100 180.100 178.903 1.197 25899 55 1 . 1 1 892 892 LEU CA C 892 58.070 58.070 58.329 -0.260 25899 56 1 . 1 1 892 892 LEU CB C 892 41.690 41.690 41.262 0.428 25899 57 1 . 1 1 892 892 LEU H H 892 7.814 7.814 7.886 -0.072 25899 58 1 . 1 1 893 893 ARG N N 893 119.900 119.900 118.779 1.121 25899 59 1 . 1 1 893 893 ARG HA H 893 4.029 4.029 3.996 0.033 25899 60 1 . 1 1 893 893 ARG C C 893 179.500 179.500 178.929 0.571 25899 61 1 . 1 1 893 893 ARG CA C 893 59.790 59.790 59.644 0.146 25899 62 1 . 1 1 893 893 ARG CB C 893 30.140 30.140 30.031 0.109 25899 63 1 . 1 1 893 893 ARG H H 893 7.918 7.918 7.702 0.216 25899 64 1 . 1 1 894 894 LEU N N 894 121.300 121.300 120.298 1.002 25899 65 1 . 1 1 894 894 LEU HA H 894 4.075 4.075 4.013 0.062 25899 66 1 . 1 1 894 894 LEU C C 894 179.200 179.200 179.118 0.082 25899 67 1 . 1 1 894 894 LEU CA C 894 58.130 58.130 57.882 0.248 25899 68 1 . 1 1 894 894 LEU CB C 894 42.510 42.510 41.562 0.948 25899 69 1 . 1 1 894 894 LEU H H 894 8.236 8.236 7.901 0.335 25899 70 1 . 1 1 895 895 GLU N N 895 118.200 118.200 119.662 -1.462 25899 71 1 . 1 1 895 895 GLU HA H 895 3.962 3.962 3.952 0.010 25899 72 1 . 1 1 895 895 GLU C C 895 180.100 180.100 179.285 0.815 25899 73 1 . 1 1 895 895 GLU CA C 895 60.270 60.270 59.958 0.312 25899 74 1 . 1 1 895 895 GLU CB C 895 29.500 29.500 29.270 0.230 25899 75 1 . 1 1 895 895 GLU H H 895 8.780 8.780 8.282 0.498 25899 76 1 . 1 1 896 896 LYS N N 896 120.600 120.600 119.371 1.229 25899 77 1 . 1 1 896 896 LYS C C 896 178.300 178.300 179.161 -0.861 25899 78 1 . 1 1 896 896 LYS CA C 896 58.980 58.980 59.652 -0.672 25899 79 1 . 1 1 896 896 LYS CB C 896 31.840 31.840 32.578 -0.737 25899 80 1 . 1 1 896 896 LYS H H 896 7.884 7.884 7.827 0.057 25899 81 1 . 1 1 897 897 GLU N N 897 121.100 121.100 120.003 1.097 25899 82 1 . 1 1 897 897 GLU HA H 897 4.155 4.155 4.081 0.074 25899 83 1 . 1 1 897 897 GLU C C 897 179.800 179.800 179.024 0.776 25899 84 1 . 1 1 897 897 GLU CA C 897 59.870 59.870 59.210 0.660 25899 85 1 . 1 1 897 897 GLU CB C 897 29.230 29.230 29.725 -0.495 25899 86 1 . 1 1 897 897 GLU H H 897 7.913 7.913 8.087 -0.174 25899 87 1 . 1 1 898 898 ILE N N 898 120.000 120.000 120.513 -0.513 25899 88 1 . 1 1 898 898 ILE HA H 898 3.535 3.535 3.728 -0.193 25899 89 1 . 1 1 898 898 ILE C C 898 177.300 177.300 177.548 -0.248 25899 90 1 . 1 1 898 898 ILE CA C 898 66.300 66.300 64.225 2.075 25899 91 1 . 1 1 898 898 ILE CB C 898 38.130 38.130 37.757 0.373 25899 92 1 . 1 1 898 898 ILE H H 898 8.274 8.274 8.555 -0.282 25899 93 1 . 1 1 899 899 GLU N N 899 120.400 120.400 120.423 -0.023 25899 94 1 . 1 1 899 899 GLU HA H 899 4.024 4.024 4.005 0.019 25899 95 1 . 1 1 899 899 GLU C C 899 179.400 179.400 178.636 0.764 25899 96 1 . 1 1 899 899 GLU CA C 899 59.890 59.890 59.749 0.141 25899 97 1 . 1 1 899 899 GLU CB C 899 29.530 29.530 29.338 0.192 25899 98 1 . 1 1 899 899 GLU H H 899 7.891 7.891 8.210 -0.319 25899 99 1 . 1 1 900 900 ASP N N 900 119.600 119.600 120.440 -0.840 25899 100 1 . 1 1 900 900 ASP HA H 900 4.464 4.464 4.401 0.063 25899 101 1 . 1 1 900 900 ASP C C 900 179.800 179.800 178.818 0.982 25899 102 1 . 1 1 900 900 ASP CA C 900 57.710 57.710 57.070 0.640 25899 103 1 . 1 1 900 900 ASP CB C 900 40.560 40.560 40.517 0.043 25899 104 1 . 1 1 900 900 ASP H H 900 8.231 8.231 7.766 0.465 25899 105 1 . 1 1 901 901 LEU N N 901 122.200 122.200 120.355 1.845 25899 106 1 . 1 1 901 901 LEU HA H 901 4.122 4.122 3.976 0.146 25899 107 1 . 1 1 901 901 LEU C C 901 179.900 179.900 179.083 0.817 25899 108 1 . 1 1 901 901 LEU CA C 901 58.370 58.370 57.981 0.390 25899 109 1 . 1 1 901 901 LEU CB C 901 43.750 43.750 41.696 2.054 25899 110 1 . 1 1 901 901 LEU H H 901 8.470 8.470 7.800 0.670 25899 111 1 . 1 1 902 902 GLN N N 902 121.000 121.000 118.381 2.619 25899 112 1 . 1 1 902 902 GLN HA H 902 4.093 4.093 3.924 0.169 25899 113 1 . 1 1 902 902 GLN C C 902 179.100 179.100 178.753 0.347 25899 114 1 . 1 1 902 902 GLN CA C 902 59.420 59.420 59.437 -0.017 25899 115 1 . 1 1 902 902 GLN CB C 902 27.800 27.800 28.396 -0.596 25899 116 1 . 1 1 902 902 GLN H H 902 9.079 9.079 8.267 0.812 25899 117 1 . 1 1 903 903 ARG N N 903 119.900 119.900 119.192 0.708 25899 118 1 . 1 1 903 903 ARG HA H 903 4.200 4.200 4.105 0.095 25899 119 1 . 1 1 903 903 ARG C C 903 179.800 179.800 179.017 0.783 25899 120 1 . 1 1 903 903 ARG CA C 903 59.440 59.440 59.244 0.196 25899 121 1 . 1 1 903 903 ARG CB C 903 30.280 30.280 30.109 0.171 25899 122 1 . 1 1 903 903 ARG H H 903 8.107 8.107 7.998 0.108 25899 123 1 . 1 1 904 904 MET N N 904 119.500 119.500 119.112 0.388 25899 124 1 . 1 1 904 904 MET HA H 904 4.218 4.218 4.140 0.078 25899 125 1 . 1 1 904 904 MET C C 904 177.800 177.800 178.340 -0.540 25899 126 1 . 1 1 904 904 MET CA C 904 58.590 58.590 58.681 -0.091 25899 127 1 . 1 1 904 904 MET CB C 904 32.280 32.280 32.084 0.196 25899 128 1 . 1 1 904 904 MET H H 904 8.005 8.005 8.104 -0.099 25899 129 1 . 1 1 905 905 LYS N N 905 121.900 121.900 120.165 1.735 25899 130 1 . 1 1 905 905 LYS HA H 905 4.369 4.369 4.047 0.322 25899 131 1 . 1 1 905 905 LYS C C 905 179.300 179.300 178.908 0.392 25899 132 1 . 1 1 905 905 LYS CA C 905 59.290 59.290 59.818 -0.528 25899 133 1 . 1 1 905 905 LYS CB C 905 32.420 32.420 32.288 0.132 25899 134 1 . 1 1 905 905 LYS H H 905 8.465 8.465 8.277 0.188 25899 135 1 . 1 1 906 906 GLU N N 906 119.200 119.200 119.354 -0.154 25899 136 1 . 1 1 906 906 GLU HA H 906 4.152 4.152 4.089 0.062 25899 137 1 . 1 1 906 906 GLU C C 906 179.400 179.400 179.301 0.099 25899 138 1 . 1 1 906 906 GLU CA C 906 59.360 59.360 59.314 0.046 25899 139 1 . 1 1 906 906 GLU CB C 906 29.620 29.620 29.545 0.075 25899 140 1 . 1 1 906 906 GLU H H 906 8.013 8.013 8.159 -0.146 25899 141 1 . 1 1 907 907 ARG N N 907 120.000 120.000 119.319 0.681 25899 142 1 . 1 1 907 907 ARG HA H 907 4.161 4.161 4.017 0.144 25899 143 1 . 1 1 907 907 ARG C C 907 179.800 179.800 179.068 0.732 25899 144 1 . 1 1 907 907 ARG CA C 907 59.470 59.470 59.383 0.087 25899 145 1 . 1 1 907 907 ARG CB C 907 30.060 30.060 30.024 0.036 25899 146 1 . 1 1 907 907 ARG H H 907 7.946 7.946 8.453 -0.507 25899 147 1 . 1 1 908 908 GLN N N 908 119.300 119.300 118.596 0.704 25899 148 1 . 1 1 908 908 GLN HA H 908 4.269 4.269 4.039 0.230 25899 149 1 . 1 1 908 908 GLN C C 908 178.400 178.400 178.487 -0.087 25899 150 1 . 1 1 908 908 GLN CA C 908 59.410 59.410 59.013 0.397 25899 151 1 . 1 1 908 908 GLN CB C 908 29.460 29.460 28.435 1.025 25899 152 1 . 1 1 908 908 GLN H H 908 8.639 8.639 8.209 0.430 25899 153 1 . 1 1 909 909 GLU N N 909 120.300 120.300 120.339 -0.039 25899 154 1 . 1 1 909 909 GLU HA H 909 4.020 4.020 4.050 -0.031 25899 155 1 . 1 1 909 909 GLU C C 909 179.700 179.700 179.239 0.461 25899 156 1 . 1 1 909 909 GLU CA C 909 59.910 59.910 59.232 0.678 25899 157 1 . 1 1 909 909 GLU CB C 909 29.390 29.390 29.408 -0.019 25899 158 1 . 1 1 909 909 GLU H H 909 8.346 8.346 7.918 0.428 25899 159 1 . 1 1 910 910 LEU N N 910 121.100 121.100 120.539 0.561 25899 160 1 . 1 1 910 910 LEU HA H 910 4.231 4.231 4.026 0.205 25899 161 1 . 1 1 910 910 LEU C C 910 180.100 180.100 178.986 1.114 25899 162 1 . 1 1 910 910 LEU CA C 910 58.370 58.370 57.937 0.433 25899 163 1 . 1 1 910 910 LEU CB C 910 41.490 41.490 41.796 -0.306 25899 164 1 . 1 1 910 910 LEU H H 910 7.825 7.825 8.085 -0.260 25899 165 1 . 1 1 911 911 SER N N 911 116.500 116.500 115.404 1.096 25899 166 1 . 1 1 911 911 SER HA H 911 4.322 4.322 4.165 0.157 25899 167 1 . 1 1 911 911 SER C C 911 177.300 177.300 176.793 0.507 25899 168 1 . 1 1 911 911 SER CA C 911 62.340 62.340 62.028 0.312 25899 169 1 . 1 1 911 911 SER CB C 911 62.990 62.990 62.953 0.037 25899 170 1 . 1 1 911 911 SER H H 911 8.142 8.142 7.957 0.185 25899 171 1 . 1 1 912 912 LEU N N 912 125.300 125.300 122.223 3.077 25899 172 1 . 1 1 912 912 LEU HA H 912 4.213 4.213 4.018 0.195 25899 173 1 . 1 1 912 912 LEU C C 912 179.500 179.500 178.825 0.675 25899 174 1 . 1 1 912 912 LEU CA C 912 58.390 58.390 58.212 0.178 25899 175 1 . 1 1 912 912 LEU CB C 912 41.620 41.620 41.784 -0.164 25899 176 1 . 1 1 912 912 LEU H H 912 8.651 8.651 8.001 0.650 25899 177 1 . 1 1 913 913 THR N N 913 120.000 120.000 116.094 3.906 25899 178 1 . 1 1 913 913 THR HA H 913 3.983 3.983 3.911 0.072 25899 179 1 . 1 1 913 913 THR C C 913 176.800 176.800 177.032 -0.232 25899 180 1 . 1 1 913 913 THR CA C 913 67.130 67.130 67.415 -0.285 25899 181 1 . 1 1 913 913 THR CB C 913 68.680 68.680 68.385 0.295 25899 182 1 . 1 1 913 913 THR H H 913 8.419 8.419 7.939 0.479 25899 183 1 . 1 1 914 914 GLU N N 914 122.200 122.200 121.317 0.883 25899 184 1 . 1 1 914 914 GLU HA H 914 4.058 4.058 4.050 0.008 25899 185 1 . 1 1 914 914 GLU C C 914 178.800 178.800 178.807 -0.007 25899 186 1 . 1 1 914 914 GLU CA C 914 59.820 59.820 59.288 0.532 25899 187 1 . 1 1 914 914 GLU CB C 914 29.600 29.600 29.402 0.198 25899 188 1 . 1 1 914 914 GLU H H 914 8.189 8.189 7.963 0.226 25899 189 1 . 1 1 915 915 ALA N N 915 1.501 1.501 122.658 -121.157 25899 190 1 . 1 1 915 915 ALA HA H 915 4.217 4.217 4.107 0.110 25899 191 1 . 1 1 915 915 ALA C C 915 180.700 180.700 179.628 1.072 25899 192 1 . 1 1 915 915 ALA CA C 915 55.200 55.200 55.054 0.146 25899 193 1 . 1 1 915 915 ALA CB C 915 17.900 17.900 18.277 -0.377 25899 194 1 . 1 1 915 915 ALA H H 915 8.315 8.315 8.337 -0.022 25899 195 1 . 1 1 916 916 SER N N 916 115.000 115.000 115.098 -0.097 25899 196 1 . 1 1 916 916 SER HA H 916 4.233 4.233 4.171 0.062 25899 197 1 . 1 1 916 916 SER C C 916 176.700 176.700 176.755 -0.055 25899 198 1 . 1 1 916 916 SER CA C 916 62.080 62.080 61.821 0.259 25899 199 1 . 1 1 916 916 SER CB C 916 62.710 62.710 62.999 -0.289 25899 200 1 . 1 1 916 916 SER H H 916 8.238 8.238 8.174 0.064 25899 201 1 . 1 1 917 917 LEU N N 917 123.500 123.500 122.047 1.453 25899 202 1 . 1 1 917 917 LEU HA H 917 4.113 4.113 3.959 0.154 25899 203 1 . 1 1 917 917 LEU C C 917 180.000 180.000 178.733 1.267 25899 204 1 . 1 1 917 917 LEU CA C 917 58.180 58.180 57.896 0.285 25899 205 1 . 1 1 917 917 LEU CB C 917 41.640 41.640 41.489 0.151 25899 206 1 . 1 1 917 917 LEU H H 917 7.880 7.880 7.772 0.108 25899 207 1 . 1 1 918 918 GLN N N 918 119.000 119.000 118.605 0.395 25899 208 1 . 1 1 918 918 GLN HA H 918 4.100 4.100 3.957 0.143 25899 209 1 . 1 1 918 918 GLN C C 918 178.900 178.900 178.560 0.339 25899 210 1 . 1 1 918 918 GLN CA C 918 58.910 58.910 59.060 -0.150 25899 211 1 . 1 1 918 918 GLN CB C 918 28.290 28.290 28.327 -0.037 25899 212 1 . 1 1 918 918 GLN H H 918 8.201 8.201 7.951 0.250 25899 213 1 . 1 1 919 919 LYS N N 919 120.300 120.300 119.856 0.444 25899 214 1 . 1 1 919 919 LYS HA H 919 3.883 3.883 4.034 -0.151 25899 215 1 . 1 1 919 919 LYS C C 919 177.600 177.600 179.251 -1.651 25899 216 1 . 1 1 919 919 LYS CA C 919 60.600 60.600 58.822 1.778 25899 217 1 . 1 1 919 919 LYS CB C 919 32.380 32.380 32.028 0.352 25899 218 1 . 1 1 919 919 LYS H H 919 8.191 8.191 7.729 0.462 25899 219 1 . 1 1 920 920 LEU N N 920 119.100 119.100 120.115 -1.015 25899 220 1 . 1 1 920 920 LEU HA H 920 4.183 4.183 3.975 0.208 25899 221 1 . 1 1 920 920 LEU C C 920 179.500 179.500 178.972 0.528 25899 222 1 . 1 1 920 920 LEU CA C 920 58.270 58.270 58.497 -0.227 25899 223 1 . 1 1 920 920 LEU CB C 920 41.850 41.850 41.511 0.339 25899 224 1 . 1 1 920 920 LEU H H 920 7.738 7.738 7.910 -0.172 25899 225 1 . 1 1 921 921 GLN N N 921 117.500 117.500 118.124 -0.624 25899 226 1 . 1 1 921 921 GLN HA H 921 4.170 4.170 4.022 0.148 25899 227 1 . 1 1 921 921 GLN C C 921 180.000 180.000 178.951 1.049 25899 228 1 . 1 1 921 921 GLN CA C 921 59.100 59.100 58.460 0.640 25899 229 1 . 1 1 921 921 GLN CB C 921 28.470 28.470 28.293 0.177 25899 230 1 . 1 1 921 921 GLN H H 921 7.828 7.828 7.727 0.101 25899 231 1 . 1 1 922 922 LEU N N 922 121.500 121.500 120.370 1.130 25899 232 1 . 1 1 922 922 LEU HA H 922 3.964 3.964 3.963 0.001 25899 233 1 . 1 1 922 922 LEU C C 922 178.700 178.700 178.925 -0.225 25899 234 1 . 1 1 922 922 LEU CA C 922 58.160 58.160 58.190 -0.030 25899 235 1 . 1 1 922 922 LEU CB C 922 43.590 43.590 41.534 2.055 25899 236 1 . 1 1 922 922 LEU H H 922 8.078 8.078 7.838 0.240 25899 237 1 . 1 1 923 923 GLU N N 923 120.400 120.400 119.741 0.659 25899 238 1 . 1 1 923 923 GLU HA H 923 3.896 3.896 3.889 0.007 25899 239 1 . 1 1 923 923 GLU C C 923 180.100 180.100 179.079 1.021 25899 240 1 . 1 1 923 923 GLU CA C 923 60.440 60.440 59.816 0.624 25899 241 1 . 1 1 923 923 GLU CB C 923 29.270 29.270 29.169 0.101 25899 242 1 . 1 1 923 923 GLU H H 923 8.738 8.738 8.000 0.738 25899 243 1 . 1 1 924 924 ASP N N 924 120.100 120.100 119.929 0.171 25899 244 1 . 1 1 924 924 ASP HA H 924 4.470 4.470 4.412 0.058 25899 245 1 . 1 1 924 924 ASP C C 924 178.800 178.800 178.475 0.325 25899 246 1 . 1 1 924 924 ASP CA C 924 57.490 57.490 57.020 0.470 25899 247 1 . 1 1 924 924 ASP CB C 924 40.490 40.490 40.407 0.083 25899 248 1 . 1 1 924 924 ASP H H 924 8.102 8.102 7.861 0.241 25899 249 1 . 1 1 925 925 LYS N N 925 122.500 122.500 120.949 1.551 25899 250 1 . 1 1 925 925 LYS HA H 925 4.220 4.220 4.052 0.168 25899 251 1 . 1 1 925 925 LYS C C 925 178.700 178.700 179.003 -0.303 25899 252 1 . 1 1 925 925 LYS CA C 925 58.620 58.620 59.497 -0.877 25899 253 1 . 1 1 925 925 LYS CB C 925 31.550 31.550 32.603 -1.053 25899 254 1 . 1 1 925 925 LYS H H 925 7.825 7.825 7.542 0.283 25899 255 1 . 1 1 926 926 VAL N N 926 120.000 120.000 119.505 0.495 25899 256 1 . 1 1 926 926 VAL HA H 926 3.436 3.436 3.599 -0.163 25899 257 1 . 1 1 926 926 VAL C C 926 177.300 177.300 177.674 -0.374 25899 258 1 . 1 1 926 926 VAL CA C 926 67.820 67.820 66.779 1.042 25899 259 1 . 1 1 926 926 VAL CB C 926 31.700 31.700 31.538 0.162 25899 260 1 . 1 1 926 926 VAL H H 926 8.578 8.578 8.389 0.190 25899 261 1 . 1 1 927 927 GLU N N 927 118.000 118.000 120.447 -2.447 25899 262 1 . 1 1 927 927 GLU HA H 927 4.111 4.111 3.905 0.206 25899 263 1 . 1 1 927 927 GLU C C 927 179.600 179.600 178.788 0.812 25899 264 1 . 1 1 927 927 GLU CA C 927 59.940 59.940 60.094 -0.154 25899 265 1 . 1 1 927 927 GLU CB C 927 29.270 29.270 29.411 -0.141 25899 266 1 . 1 1 927 927 GLU H H 927 7.848 7.848 8.641 -0.793 25899 267 1 . 1 1 928 928 GLU N N 928 120.900 120.900 119.409 1.491 25899 268 1 . 1 1 928 928 GLU HA H 928 4.112 4.112 4.077 0.035 25899 269 1 . 1 1 928 928 GLU C C 928 179.700 179.700 179.329 0.371 25899 270 1 . 1 1 928 928 GLU CA C 928 59.490 59.490 59.094 0.396 25899 271 1 . 1 1 928 928 GLU CB C 928 29.820 29.820 29.610 0.210 25899 272 1 . 1 1 928 928 GLU H H 928 8.139 8.139 7.969 0.170 25899 273 1 . 1 1 929 929 LEU N N 929 120.600 120.600 120.698 -0.098 25899 274 1 . 1 1 929 929 LEU HA H 929 4.025 4.025 4.103 -0.078 25899 275 1 . 1 1 929 929 LEU C C 929 179.600 179.600 178.974 0.626 25899 276 1 . 1 1 929 929 LEU CA C 929 58.060 58.060 57.835 0.225 25899 277 1 . 1 1 929 929 LEU CB C 929 43.360 43.360 41.579 1.782 25899 278 1 . 1 1 929 929 LEU H H 929 8.557 8.557 8.198 0.359 25899 279 1 . 1 1 930 930 LEU N N 930 122.000 122.000 120.377 1.623 25899 280 1 . 1 1 930 930 LEU HA H 930 4.067 4.067 3.941 0.126 25899 281 1 . 1 1 930 930 LEU C C 930 180.000 180.000 178.582 1.418 25899 282 1 . 1 1 930 930 LEU CA C 930 58.290 58.290 58.476 -0.186 25899 283 1 . 1 1 930 930 LEU CB C 930 42.090 42.090 41.719 0.371 25899 284 1 . 1 1 930 930 LEU H H 930 9.107 9.107 8.661 0.447 25899 285 1 . 1 1 931 931 SER N N 931 114.800 114.800 115.218 -0.418 25899 286 1 . 1 1 931 931 SER HA H 931 4.346 4.346 4.152 0.194 25899 287 1 . 1 1 931 931 SER C C 931 177.700 177.700 176.887 0.813 25899 288 1 . 1 1 931 931 SER CA C 931 61.790 61.790 62.146 -0.356 25899 289 1 . 1 1 931 931 SER CB C 931 62.830 62.830 62.885 -0.055 25899 290 1 . 1 1 931 931 SER H H 931 7.883 7.883 8.094 -0.211 25899 291 1 . 1 1 932 932 LYS N N 932 122.200 122.200 121.628 0.572 25899 292 1 . 1 1 932 932 LYS HA H 932 4.220 4.220 4.065 0.155 25899 293 1 . 1 1 932 932 LYS C C 932 178.800 178.800 178.892 -0.092 25899 294 1 . 1 1 932 932 LYS CA C 932 59.780 59.780 59.819 -0.039 25899 295 1 . 1 1 932 932 LYS CB C 932 32.780 32.780 32.287 0.493 25899 296 1 . 1 1 932 932 LYS H H 932 8.202 8.202 8.096 0.106 25899 297 1 . 1 1 933 933 ASN N N 933 119.500 119.500 118.818 0.682 25899 298 1 . 1 1 933 933 ASN HA H 933 4.401 4.401 4.461 -0.060 25899 299 1 . 1 1 933 933 ASN C C 933 176.800 176.800 177.482 -0.682 25899 300 1 . 1 1 933 933 ASN CA C 933 57.330 57.330 56.199 1.131 25899 301 1 . 1 1 933 933 ASN CB C 933 39.010 39.010 38.427 0.583 25899 302 1 . 1 1 933 933 ASN H H 933 8.777 8.777 8.412 0.365 25899 303 1 . 1 1 934 934 TYR N N 934 120.300 120.300 121.995 -1.695 25899 304 1 . 1 1 934 934 TYR HA H 934 4.372 4.372 4.241 0.131 25899 305 1 . 1 1 934 934 TYR C C 934 178.200 178.200 177.751 0.449 25899 306 1 . 1 1 934 934 TYR CA C 934 60.840 60.840 61.586 -0.747 25899 307 1 . 1 1 934 934 TYR CB C 934 37.930 37.930 38.359 -0.429 25899 308 1 . 1 1 934 934 TYR H H 934 8.236 8.236 8.403 -0.167 25899 309 1 . 1 1 935 935 HIS N N 935 118.000 118.000 118.733 -0.732 25899 310 1 . 1 1 935 935 HIS HA H 935 4.353 4.353 4.116 0.237 25899 311 1 . 1 1 935 935 HIS C C 935 178.600 178.600 177.621 0.979 25899 312 1 . 1 1 935 935 HIS CA C 935 59.910 59.910 60.066 -0.156 25899 313 1 . 1 1 935 935 HIS CB C 935 29.790 29.790 30.010 -0.221 25899 314 1 . 1 1 935 935 HIS H H 935 7.817 7.817 7.949 -0.132 25899 315 1 . 1 1 936 936 LEU N N 936 120.500 120.500 119.981 0.519 25899 316 1 . 1 1 936 936 LEU HA H 936 4.123 4.123 3.946 0.177 25899 317 1 . 1 1 936 936 LEU C C 936 178.900 178.900 178.880 0.020 25899 318 1 . 1 1 936 936 LEU CA C 936 58.220 58.220 57.905 0.315 25899 319 1 . 1 1 936 936 LEU CB C 936 43.640 43.640 41.629 2.011 25899 320 1 . 1 1 936 936 LEU H H 936 8.522 8.522 8.506 0.016 25899 321 1 . 1 1 937 937 GLU N N 937 119.600 119.600 119.871 -0.271 25899 322 1 . 1 1 937 937 GLU HA H 937 3.911 3.911 3.826 0.085 25899 323 1 . 1 1 937 937 GLU C C 937 180.300 180.300 179.132 1.168 25899 324 1 . 1 1 937 937 GLU CA C 937 60.280 60.280 59.839 0.441 25899 325 1 . 1 1 937 937 GLU CB C 937 29.270 29.270 29.196 0.074 25899 326 1 . 1 1 937 937 GLU H H 937 8.856 8.856 8.660 0.196 25899 327 1 . 1 1 938 938 ASN N N 938 118.900 118.900 117.848 1.052 25899 328 1 . 1 1 938 938 ASN HA H 938 4.434 4.434 4.338 0.096 25899 329 1 . 1 1 938 938 ASN C C 938 177.900 177.900 177.891 0.009 25899 330 1 . 1 1 938 938 ASN CA C 938 56.100 56.100 55.926 0.174 25899 331 1 . 1 1 938 938 ASN CB C 938 38.010 38.010 37.947 0.063 25899 332 1 . 1 1 938 938 ASN H H 938 7.735 7.735 7.838 -0.103 25899 333 1 . 1 1 939 939 GLU N N 939 123.800 123.800 120.639 3.161 25899 334 1 . 1 1 939 939 GLU HA H 939 4.442 4.442 3.974 0.468 25899 335 1 . 1 1 939 939 GLU C C 939 178.400 178.400 179.030 -0.630 25899 336 1 . 1 1 939 939 GLU CA C 939 58.710 58.710 59.351 -0.641 25899 337 1 . 1 1 939 939 GLU CB C 939 30.130 30.130 29.740 0.390 25899 338 1 . 1 1 939 939 GLU H H 939 8.098 8.098 7.608 0.490 25899 339 1 . 1 1 940 940 VAL N N 940 120.000 120.000 118.366 1.634 25899 340 1 . 1 1 940 940 VAL HA H 940 3.400 3.400 3.696 -0.296 25899 341 1 . 1 1 940 940 VAL C C 940 177.400 177.400 177.853 -0.453 25899 342 1 . 1 1 940 940 VAL CA C 940 67.720 67.720 66.225 1.495 25899 343 1 . 1 1 940 940 VAL CB C 940 31.630 31.630 31.092 0.538 25899 344 1 . 1 1 940 940 VAL H H 940 8.669 8.669 8.412 0.257 25899 345 1 . 1 1 941 941 ALA N N 941 119.800 119.800 122.482 -2.682 25899 346 1 . 1 1 941 941 ALA HA H 941 4.014 4.014 3.935 0.079 25899 347 1 . 1 1 941 941 ALA C C 941 180.500 180.500 179.264 1.236 25899 348 1 . 1 1 941 941 ALA CA C 941 55.400 55.400 55.295 0.105 25899 349 1 . 1 1 941 941 ALA CB C 941 18.030 18.030 18.080 -0.050 25899 350 1 . 1 1 941 941 ALA H H 941 7.725 7.725 8.477 -0.752 25899 351 1 . 1 1 942 942 ARG N N 942 119.400 119.400 119.121 0.279 25899 352 1 . 1 1 942 942 ARG HA H 942 3.965 3.965 4.029 -0.064 25899 353 1 . 1 1 942 942 ARG C C 942 179.300 179.300 178.735 0.565 25899 354 1 . 1 1 942 942 ARG CA C 942 59.520 59.520 59.207 0.313 25899 355 1 . 1 1 942 942 ARG CB C 942 30.740 30.740 30.166 0.574 25899 356 1 . 1 1 942 942 ARG H H 942 7.904 7.904 7.717 0.187 25899 357 1 . 1 1 943 943 LEU N N 943 120.100 120.100 119.565 0.535 25899 358 1 . 1 1 943 943 LEU HA H 943 3.972 3.972 4.010 -0.038 25899 359 1 . 1 1 943 943 LEU C C 943 179.300 179.300 178.791 0.509 25899 360 1 . 1 1 943 943 LEU CA C 943 58.080 58.080 57.452 0.629 25899 361 1 . 1 1 943 943 LEU CB C 943 43.940 43.940 41.709 2.231 25899 362 1 . 1 1 943 943 LEU H H 943 8.417 8.417 7.687 0.730 25899 363 1 . 1 1 944 944 LYS N N 944 118.700 118.700 119.573 -0.873 25899 364 1 . 1 1 944 944 LYS HA H 944 3.824 3.824 3.909 -0.085 25899 365 1 . 1 1 944 944 LYS C C 944 179.500 179.500 178.800 0.700 25899 366 1 . 1 1 944 944 LYS CA C 944 60.800 60.800 59.706 1.094 25899 367 1 . 1 1 944 944 LYS CB C 944 32.460 32.460 32.044 0.415 25899 368 1 . 1 1 944 944 LYS H H 944 8.955 8.955 8.440 0.515 25899 369 1 . 1 1 945 945 LYS N N 945 117.000 117.000 119.025 -2.025 25899 370 1 . 1 1 945 945 LYS HA H 945 4.164 4.164 4.102 0.062 25899 371 1 . 1 1 945 945 LYS C C 945 179.000 179.000 179.205 -0.205 25899 372 1 . 1 1 945 945 LYS CA C 945 58.670 58.670 59.191 -0.521 25899 373 1 . 1 1 945 945 LYS CB C 945 32.270 32.270 32.268 0.002 25899 374 1 . 1 1 945 945 LYS H H 945 7.291 7.291 7.785 -0.494 25899 375 1 . 1 1 946 946 LEU N N 946 118.700 118.700 119.098 -0.398 25899 376 1 . 1 1 946 946 LEU HA H 946 4.203 4.203 4.021 0.182 25899 377 1 . 1 1 946 946 LEU C C 946 179.000 179.000 178.751 0.249 25899 378 1 . 1 1 946 946 LEU CA C 946 57.120 57.120 57.227 -0.107 25899 379 1 . 1 1 946 946 LEU CB C 946 42.680 42.680 41.785 0.895 25899 380 1 . 1 1 946 946 LEU H H 946 7.441 7.441 7.456 -0.015 25899 381 1 . 1 1 947 947 VAL N N 947 113.800 113.800 116.613 -2.813 25899 382 1 . 1 1 947 947 VAL HA H 947 4.148 4.148 3.936 0.212 25899 383 1 . 1 1 947 947 VAL C C 947 176.600 176.600 176.762 -0.162 25899 384 1 . 1 1 947 947 VAL CA C 947 62.750 62.750 63.815 -1.065 25899 385 1 . 1 1 947 947 VAL CB C 947 32.620 32.620 32.486 0.134 25899 386 1 . 1 1 947 947 VAL H H 947 7.677 7.677 7.448 0.229 25899 387 1 . 1 1 948 948 GLY N N 948 109.600 109.600 106.071 3.529 25899 388 1 . 1 1 948 948 GLY C C 948 174.200 174.200 173.200 1.000 25899 389 1 . 1 1 948 948 GLY CA C 948 46.020 46.020 45.138 0.882 25899 390 1 . 1 1 948 948 GLY H H 948 7.853 7.853 8.179 -0.326 25899 stop_ save_