REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1nei_1_B DATA FIRST_RESID 201 DATA SEQUENCE MGKATYTVTV TNNSNGVSVD YETETPMTLL VPEVAAEVIK DLVNTVRSYD DATA SEQUENCE TENEHDVCGW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 201 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 201 M C 0.000 176.297 176.300 -0.004 0.000 1.140 201 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 201 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 202 G N 2.587 111.386 108.800 -0.002 0.000 3.298 202 G HA2 0.229 4.185 3.960 -0.007 0.000 0.303 202 G HA3 0.229 4.188 3.960 -0.002 0.000 0.303 202 G C -2.042 172.858 174.900 0.001 0.000 1.668 202 G CA 0.632 45.730 45.100 -0.003 0.000 0.733 202 G HN 0.107 8.397 8.290 -0.000 0.000 0.453 203 K N 1.223 121.623 120.400 -0.001 0.000 2.267 203 K HA 0.294 4.620 4.320 0.010 0.000 0.246 203 K C -0.788 175.815 176.600 0.005 0.000 0.954 203 K CA -0.592 55.698 56.287 0.006 0.000 0.824 203 K CB 2.006 34.511 32.500 0.009 0.000 1.167 203 K HN -0.050 8.196 8.250 -0.006 0.000 0.431 204 A N 4.447 127.279 122.820 0.020 0.000 2.280 204 A HA 0.454 4.782 4.320 0.013 0.000 0.320 204 A C -1.347 176.272 177.584 0.058 0.000 1.366 204 A CA -0.306 51.751 52.037 0.034 0.000 0.938 204 A CB -0.196 18.834 19.000 0.049 0.000 1.157 204 A HN 0.418 8.583 8.150 0.025 0.000 0.536 205 T N -1.540 113.040 114.554 0.043 0.000 2.816 205 T HA 0.413 4.848 4.350 0.142 0.000 0.299 205 T C -1.777 172.960 174.700 0.062 0.000 1.230 205 T CA -1.021 61.129 62.100 0.084 0.000 1.007 205 T CB 1.829 70.727 68.868 0.050 0.000 1.289 205 T HN 0.019 8.250 8.240 -0.014 0.000 0.508 206 Y N -0.669 119.647 120.300 0.027 0.000 2.524 206 Y HA 0.207 4.771 4.550 0.023 0.000 0.347 206 Y C -1.646 174.277 175.900 0.039 0.000 1.005 206 Y CA -0.270 57.847 58.100 0.028 0.000 1.025 206 Y CB 5.351 43.826 38.460 0.025 0.000 1.275 206 Y HN 0.476 8.785 8.280 0.236 0.112 0.460 207 T N 6.005 120.663 114.554 0.173 0.000 2.842 207 T HA 0.407 4.996 4.350 0.145 -0.151 0.308 207 T C -1.141 173.656 174.700 0.162 0.000 1.041 207 T CA -0.527 61.654 62.100 0.135 0.000 0.964 207 T CB 0.694 69.596 68.868 0.057 0.000 0.972 207 T HN 0.089 8.389 8.240 0.100 0.000 0.460 208 V N 9.112 129.127 119.914 0.169 0.000 2.347 208 V HA 0.258 4.457 4.120 0.132 0.000 0.280 208 V C -1.215 174.962 176.094 0.138 0.000 1.021 208 V CA -1.182 61.203 62.300 0.142 0.000 0.847 208 V CB 1.314 33.207 31.823 0.116 0.000 0.990 208 V HN 0.768 9.067 8.190 0.183 0.000 0.444 209 T N 8.963 123.577 114.554 0.100 0.000 2.929 209 T HA 0.473 5.025 4.350 0.108 -0.137 0.284 209 T C -1.035 173.710 174.700 0.074 0.000 1.014 209 T CA -0.913 61.237 62.100 0.085 0.000 1.051 209 T CB 1.629 70.528 68.868 0.050 0.000 1.028 209 T HN 0.275 8.566 8.240 0.086 0.000 0.485 210 V N 5.399 125.358 119.914 0.075 0.000 2.488 210 V HA 0.159 4.305 4.120 0.044 0.000 0.293 210 V C -1.884 174.232 176.094 0.036 0.000 1.027 210 V CA -0.769 61.566 62.300 0.058 0.000 0.862 210 V CB 2.915 34.783 31.823 0.075 0.000 1.008 210 V HN 1.227 9.340 8.190 0.080 0.126 0.428 211 T N 8.230 122.796 114.554 0.019 0.000 2.848 211 T HA 0.406 4.908 4.350 -0.004 -0.154 0.285 211 T C -1.117 173.584 174.700 0.001 0.000 0.995 211 T CA -1.133 60.968 62.100 0.002 0.000 0.970 211 T CB 2.262 71.127 68.868 -0.006 0.000 0.976 211 T HN 0.204 8.456 8.240 0.020 0.000 0.441 212 N N 7.068 125.765 118.700 -0.004 0.000 2.558 212 N HA 0.153 4.894 4.740 0.002 0.000 0.233 212 N C -0.252 175.253 175.510 -0.008 0.000 1.038 212 N CA -1.440 51.609 53.050 -0.002 0.000 0.934 212 N CB -0.393 38.093 38.487 -0.000 0.000 1.175 212 N HN 0.802 9.071 8.380 -0.012 0.104 0.512 213 N N 3.835 122.532 118.700 -0.005 0.000 2.519 213 N HA -0.287 4.447 4.740 -0.010 0.000 0.186 213 N C 0.310 175.816 175.510 -0.006 0.000 1.062 213 N CA 2.546 55.592 53.050 -0.007 0.000 0.910 213 N CB -0.286 38.199 38.487 -0.004 0.000 0.958 213 N HN 0.184 8.563 8.380 -0.002 0.000 0.445 214 S N -1.948 113.750 115.700 -0.004 0.000 2.406 214 S HA -0.012 4.456 4.470 -0.003 0.000 0.224 214 S C 0.516 175.114 174.600 -0.004 0.000 1.030 214 S CA 1.716 59.914 58.200 -0.003 0.000 0.958 214 S CB 0.253 63.453 63.200 0.000 0.000 0.811 214 S HN -0.189 8.054 8.310 -0.003 0.065 0.489 215 N N -2.256 116.440 118.700 -0.007 0.000 2.184 215 N HA 0.168 4.905 4.740 -0.006 0.000 0.206 215 N C -0.080 175.417 175.510 -0.021 0.000 1.151 215 N CA -0.601 52.443 53.050 -0.009 0.000 0.878 215 N CB 1.302 39.786 38.487 -0.005 0.000 1.014 215 N HN -0.550 7.713 8.380 -0.007 0.113 0.512 216 G N 0.006 108.792 108.800 -0.022 0.000 2.180 216 G HA2 -0.388 3.546 3.960 -0.026 0.000 0.263 216 G HA3 -0.388 3.554 3.960 -0.030 0.000 0.263 216 G C -0.411 174.458 174.900 -0.052 0.000 0.989 216 G CA 1.007 46.088 45.100 -0.031 0.000 0.692 216 G HN 0.169 8.284 8.290 -0.016 0.165 0.526 217 V N -0.049 119.831 119.914 -0.056 0.000 2.607 217 V HA 0.066 4.108 4.120 -0.130 0.000 0.289 217 V C -1.203 174.848 176.094 -0.072 0.000 1.053 217 V CA -0.486 61.759 62.300 -0.093 0.000 0.996 217 V CB 0.999 32.765 31.823 -0.094 0.000 0.995 217 V HN -0.755 7.352 8.190 -0.039 0.060 0.476 218 S N 2.723 118.364 115.700 -0.098 0.000 2.568 218 S HA 0.478 5.042 4.470 -0.033 -0.113 0.293 218 S C -1.444 173.118 174.600 -0.063 0.000 1.089 218 S CA -1.884 56.279 58.200 -0.061 0.000 0.945 218 S CB 1.969 65.135 63.200 -0.056 0.000 1.077 218 S HN 0.155 8.375 8.310 -0.150 0.000 0.485 219 V N 3.259 123.162 119.914 -0.017 0.000 2.737 219 V HA 0.182 4.266 4.120 -0.060 0.000 0.298 219 V C -2.531 173.577 176.094 0.024 0.000 1.163 219 V CA -0.483 61.814 62.300 -0.006 0.000 0.925 219 V CB 4.680 36.542 31.823 0.066 0.000 1.037 219 V HN 0.293 8.399 8.190 0.003 0.086 0.433 220 D N 5.836 126.202 120.400 -0.056 0.000 2.248 220 D HA 0.289 4.967 4.640 0.065 0.000 0.246 220 D C -1.478 174.752 176.300 -0.117 0.000 1.027 220 D CA -1.163 52.826 54.000 -0.019 0.000 0.853 220 D CB 1.895 42.675 40.800 -0.034 0.000 1.243 220 D HN 0.068 8.362 8.370 -0.127 0.000 0.462 221 Y N 0.549 120.869 120.300 0.033 0.000 2.396 221 Y HA 0.122 4.694 4.550 0.037 0.000 0.332 221 Y C -1.792 174.136 175.900 0.048 0.000 1.034 221 Y CA -0.467 57.656 58.100 0.038 0.000 1.057 221 Y CB 4.884 43.367 38.460 0.037 0.000 1.220 221 Y HN 0.369 8.772 8.280 0.204 0.000 0.440 222 E N 6.443 126.764 120.200 0.202 0.000 2.081 222 E HA 0.554 5.151 4.350 0.150 -0.157 0.276 222 E C -0.933 175.764 176.600 0.162 0.000 0.950 222 E CA -0.742 55.748 56.400 0.150 0.000 0.776 222 E CB 1.081 30.833 29.700 0.087 0.000 1.094 222 E HN 0.372 8.831 8.360 0.165 0.000 0.402 223 T N 6.981 121.630 114.554 0.158 0.000 2.909 223 T HA 0.279 4.696 4.350 0.113 0.000 0.299 223 T C -2.119 172.665 174.700 0.141 0.000 1.073 223 T CA -2.033 60.143 62.100 0.126 0.000 0.999 223 T CB 1.705 70.629 68.868 0.093 0.000 1.098 223 T HN 0.597 8.943 8.240 0.177 0.000 0.477 224 E N 5.441 125.706 120.200 0.108 0.000 2.070 224 E HA 0.332 4.797 4.350 0.191 0.000 0.261 224 E C -1.466 175.180 176.600 0.077 0.000 0.926 224 E CA -2.161 54.312 56.400 0.121 0.000 0.760 224 E CB -0.142 29.613 29.700 0.092 0.000 1.133 224 E HN 0.147 8.558 8.360 0.084 0.000 0.420 225 T N 1.881 116.469 114.554 0.057 0.000 2.930 225 T HA 0.431 4.779 4.350 -0.004 0.000 0.313 225 T C -1.512 173.140 174.700 -0.080 0.000 1.019 225 T CA -3.773 58.310 62.100 -0.028 0.000 1.004 225 T CB 1.637 70.462 68.868 -0.073 0.000 0.987 225 T HN -0.133 8.165 8.240 0.097 0.000 0.456 226 P HA 0.040 4.473 4.420 0.021 0.000 0.204 226 P C 0.705 177.972 177.300 -0.055 0.000 1.215 226 P CA 1.445 64.543 63.100 -0.004 0.000 0.908 226 P CB 0.460 32.180 31.700 0.033 0.000 0.738 227 M N -3.059 116.522 119.600 -0.032 0.000 2.349 227 M HA -0.018 4.439 4.480 -0.039 0.000 0.266 227 M C 1.756 178.023 176.300 -0.055 0.000 1.076 227 M CA 3.356 58.634 55.300 -0.037 0.000 1.126 227 M CB -0.695 31.894 32.600 -0.019 0.000 1.392 227 M HN -0.063 8.218 8.290 -0.015 0.000 0.440 228 T N 1.453 115.973 114.554 -0.057 0.000 2.737 228 T HA -0.358 3.964 4.350 -0.046 0.000 0.269 228 T C 1.897 176.544 174.700 -0.088 0.000 1.040 228 T CA 3.193 65.257 62.100 -0.060 0.000 1.142 228 T CB -0.876 67.962 68.868 -0.051 0.000 0.861 228 T HN 0.248 8.445 8.240 -0.046 0.014 0.456 229 L N -0.200 120.939 121.223 -0.139 0.000 2.129 229 L HA -0.303 3.932 4.340 -0.175 0.000 0.212 229 L C 0.992 177.790 176.870 -0.120 0.000 1.087 229 L CA 2.229 56.958 54.840 -0.184 0.000 0.757 229 L CB -0.269 41.582 42.059 -0.346 0.000 0.896 229 L HN -0.709 7.420 8.230 -0.155 0.009 0.434 230 L N -5.001 116.168 121.223 -0.090 0.000 2.270 230 L HA -0.104 4.201 4.340 -0.058 0.000 0.210 230 L C 0.515 177.357 176.870 -0.047 0.000 1.104 230 L CA 0.513 55.318 54.840 -0.059 0.000 0.804 230 L CB 0.203 42.236 42.059 -0.044 0.000 0.937 230 L HN -0.271 7.756 8.230 -0.088 0.150 0.450 231 V N 0.727 120.612 119.914 -0.048 0.000 2.599 231 V HA -0.040 4.062 4.120 -0.030 0.000 0.300 231 V C -0.751 175.321 176.094 -0.038 0.000 1.034 231 V CA -0.608 61.669 62.300 -0.037 0.000 1.115 231 V CB -0.041 31.761 31.823 -0.035 0.000 0.934 231 V HN -0.399 7.584 8.190 -0.056 0.173 0.485 232 P HA -0.060 4.342 4.420 -0.029 0.000 0.217 232 P C 1.343 178.627 177.300 -0.027 0.000 1.154 232 P CA 2.297 65.381 63.100 -0.027 0.000 0.841 232 P CB 0.070 31.758 31.700 -0.020 0.000 0.788 233 E N -1.423 118.763 120.200 -0.024 0.000 2.118 233 E HA -0.284 4.054 4.350 -0.020 0.000 0.195 233 E C 2.492 179.075 176.600 -0.029 0.000 0.992 233 E CA 3.351 59.738 56.400 -0.022 0.000 0.804 233 E CB -0.736 28.953 29.700 -0.018 0.000 0.741 233 E HN 0.560 8.907 8.360 -0.022 0.000 0.458 234 V N -0.106 119.787 119.914 -0.034 0.000 2.379 234 V HA -0.288 3.809 4.120 -0.039 0.000 0.243 234 V C 1.455 177.517 176.094 -0.052 0.000 1.035 234 V CA 3.905 66.180 62.300 -0.042 0.000 1.035 234 V CB -0.145 31.652 31.823 -0.044 0.000 0.673 234 V HN -0.412 7.750 8.190 -0.033 0.008 0.457 235 A N 0.019 122.808 122.820 -0.052 0.000 1.902 235 A HA -0.407 3.874 4.320 -0.065 0.000 0.217 235 A C 1.424 178.980 177.584 -0.047 0.000 1.181 235 A CA 3.188 55.192 52.037 -0.055 0.000 0.623 235 A CB -1.032 17.937 19.000 -0.052 0.000 0.818 235 A HN 0.397 8.395 8.150 -0.048 0.123 0.443 236 A N -1.796 121.001 122.820 -0.038 0.000 1.883 236 A HA -0.320 3.983 4.320 -0.029 0.000 0.217 236 A C 2.263 179.823 177.584 -0.040 0.000 1.186 236 A CA 3.382 55.399 52.037 -0.033 0.000 0.624 236 A CB -0.760 18.225 19.000 -0.025 0.000 0.822 236 A HN 0.985 8.967 8.150 -0.036 0.147 0.444 237 E N -1.515 118.658 120.200 -0.045 0.000 2.106 237 E HA -0.238 4.083 4.350 -0.048 0.000 0.192 237 E C 2.711 179.258 176.600 -0.088 0.000 0.984 237 E CA 2.814 59.180 56.400 -0.056 0.000 0.806 237 E CB -0.416 29.255 29.700 -0.048 0.000 0.750 237 E HN -0.569 7.766 8.360 -0.042 0.000 0.458 238 V N 1.408 121.269 119.914 -0.089 0.000 2.427 238 V HA -0.372 3.644 4.120 -0.172 0.000 0.248 238 V C 1.786 177.816 176.094 -0.106 0.000 1.051 238 V CA 4.574 66.803 62.300 -0.118 0.000 1.048 238 V CB -0.026 31.742 31.823 -0.091 0.000 0.666 238 V HN 0.314 8.252 8.190 -0.071 0.210 0.456 239 I N -0.329 120.202 120.570 -0.066 0.000 2.333 239 I HA -0.387 3.764 4.170 -0.032 0.000 0.246 239 I C 1.803 177.896 176.117 -0.040 0.000 1.106 239 I CA 3.319 64.594 61.300 -0.041 0.000 1.411 239 I CB -1.037 36.947 38.000 -0.027 0.000 1.082 239 I HN 0.689 8.665 8.210 -0.058 0.199 0.420 240 K N 0.719 121.092 120.400 -0.044 0.000 2.057 240 K HA -0.334 3.974 4.320 -0.020 0.000 0.206 240 K C 1.747 178.318 176.600 -0.049 0.000 1.050 240 K CA 3.644 59.910 56.287 -0.035 0.000 0.935 240 K CB -0.409 32.074 32.500 -0.029 0.000 0.715 240 K HN 0.559 8.654 8.250 -0.047 0.127 0.439 241 D N 0.595 120.938 120.400 -0.096 0.000 2.097 241 D HA -0.240 4.342 4.640 -0.097 0.000 0.195 241 D C 2.220 178.425 176.300 -0.158 0.000 0.989 241 D CA 3.546 57.453 54.000 -0.155 0.000 0.827 241 D CB -0.239 40.395 40.800 -0.277 0.000 0.966 241 D HN 0.470 8.633 8.370 -0.105 0.144 0.456 242 L N -0.554 120.576 121.223 -0.156 0.000 2.017 242 L HA -0.445 3.938 4.340 0.073 0.000 0.208 242 L C 2.057 178.975 176.870 0.080 0.000 1.073 242 L CA 3.860 58.702 54.840 0.003 0.000 0.745 242 L CB 0.158 42.240 42.059 0.038 0.000 0.894 242 L HN -0.424 7.606 8.230 -0.159 0.105 0.432 243 V N 0.229 120.162 119.914 0.032 0.000 2.295 243 V HA -0.648 3.502 4.120 0.050 0.000 0.246 243 V C 1.697 177.820 176.094 0.048 0.000 1.049 243 V CA 4.963 67.287 62.300 0.038 0.000 1.024 243 V CB -0.227 31.607 31.823 0.018 0.000 0.648 243 V HN 0.174 8.365 8.190 0.002 0.000 0.447 244 N N -0.701 118.018 118.700 0.032 0.000 2.149 244 N HA -0.316 4.442 4.740 0.031 0.000 0.188 244 N C 2.626 178.180 175.510 0.074 0.000 1.019 244 N CA 3.706 56.778 53.050 0.036 0.000 0.857 244 N CB 0.150 38.645 38.487 0.014 0.000 0.997 244 N HN 0.746 8.993 8.380 0.008 0.139 0.426 245 T N 2.799 117.425 114.554 0.121 0.000 2.812 245 T HA -0.283 4.168 4.350 0.168 0.000 0.264 245 T C 1.756 176.560 174.700 0.173 0.000 1.042 245 T CA 5.193 67.411 62.100 0.197 0.000 1.140 245 T CB 0.127 69.243 68.868 0.414 0.000 0.870 245 T HN 0.085 8.185 8.240 0.111 0.207 0.445 246 V N 2.073 122.073 119.914 0.142 0.000 2.343 246 V HA -0.514 3.664 4.120 0.097 0.000 0.247 246 V C 2.494 178.652 176.094 0.106 0.000 1.051 246 V CA 4.353 66.715 62.300 0.102 0.000 1.036 246 V CB -0.406 31.456 31.823 0.065 0.000 0.654 246 V HN 0.152 8.246 8.190 0.137 0.179 0.451 247 R N -1.757 118.794 120.500 0.086 0.000 2.148 247 R HA -0.264 4.250 4.340 0.070 -0.133 0.223 247 R C 2.175 178.524 176.300 0.081 0.000 1.088 247 R CA 2.934 59.077 56.100 0.072 0.000 0.985 247 R CB -0.237 30.090 30.300 0.045 0.000 0.880 247 R HN 0.627 8.835 8.270 0.077 0.108 0.451 248 S N 0.447 116.201 115.700 0.089 0.000 2.387 248 S HA -0.275 4.211 4.470 0.026 0.000 0.230 248 S C 1.251 175.882 174.600 0.051 0.000 1.035 248 S CA 3.445 61.680 58.200 0.058 0.000 1.014 248 S CB -0.420 62.820 63.200 0.066 0.000 0.836 248 S HN -0.106 8.033 8.310 0.100 0.231 0.466 249 Y N 0.685 120.980 120.300 -0.007 0.000 2.439 249 Y HA -0.223 4.311 4.550 -0.026 0.000 0.292 249 Y C 0.588 176.477 175.900 -0.017 0.000 1.130 249 Y CA 2.529 60.620 58.100 -0.016 0.000 1.254 249 Y CB 0.213 38.668 38.460 -0.009 0.000 1.000 249 Y HN -0.833 7.603 8.280 0.273 0.008 0.554 250 D N -3.067 117.425 120.400 0.154 0.000 2.194 250 D HA -0.050 4.660 4.640 0.116 0.000 0.204 250 D C 0.304 176.622 176.300 0.031 0.000 0.964 250 D CA 1.961 56.015 54.000 0.090 0.000 0.846 250 D CB 0.522 41.361 40.800 0.064 0.000 0.962 250 D HN -0.163 8.109 8.370 0.144 0.184 0.490 251 T N -1.757 112.801 114.554 0.006 0.000 2.882 251 T HA 0.071 4.410 4.350 -0.019 0.000 0.287 251 T C 0.244 174.902 174.700 -0.069 0.000 0.992 251 T CA -1.460 60.624 62.100 -0.026 0.000 1.076 251 T CB 2.068 70.923 68.868 -0.022 0.000 0.961 251 T HN -0.576 7.571 8.240 0.017 0.103 0.490 252 E N 3.002 123.160 120.200 -0.070 0.000 2.114 252 E HA -0.401 3.885 4.350 -0.107 0.000 0.199 252 E C -0.929 175.584 176.600 -0.144 0.000 1.008 252 E CA 2.552 58.893 56.400 -0.098 0.000 0.810 252 E CB 0.305 29.961 29.700 -0.073 0.000 0.739 252 E HN 0.479 8.809 8.360 -0.050 0.000 0.456 253 N N -1.799 116.822 118.700 -0.131 0.000 2.497 253 N HA -0.185 4.409 4.740 -0.243 0.000 0.271 253 N C -0.690 174.693 175.510 -0.213 0.000 1.142 253 N CA -0.206 52.732 53.050 -0.187 0.000 0.965 253 N CB 0.014 38.431 38.487 -0.117 0.000 1.077 253 N HN -0.448 7.872 8.380 -0.093 0.003 0.462 254 E N -0.807 119.182 120.200 -0.352 0.000 2.585 254 E HA 0.028 4.278 4.350 -0.166 0.000 0.206 254 E C -1.410 175.074 176.600 -0.194 0.000 1.007 254 E CA -0.654 55.587 56.400 -0.266 0.000 1.028 254 E CB -0.030 29.500 29.700 -0.283 0.000 1.087 254 E HN 0.225 8.256 8.360 -0.550 0.000 0.455 255 H N 1.435 120.452 119.070 -0.088 0.000 2.685 255 H HA 0.254 4.739 4.556 -0.119 0.000 0.286 255 H C -0.795 174.470 175.328 -0.105 0.000 1.102 255 H CA -1.217 54.760 56.048 -0.120 0.000 1.254 255 H CB -0.764 28.900 29.762 -0.164 0.000 1.397 255 H HN -0.349 7.767 8.280 -0.160 0.068 0.473 256 D N 3.256 123.682 120.400 0.043 0.000 2.362 256 D HA 0.147 4.789 4.640 0.003 0.000 0.247 256 D C -0.623 175.663 176.300 -0.024 0.000 1.050 256 D CA -0.985 53.023 54.000 0.012 0.000 0.839 256 D CB 1.660 42.487 40.800 0.046 0.000 1.283 256 D HN 0.096 8.504 8.370 0.063 0.000 0.477 257 V N -1.772 118.121 119.914 -0.034 0.000 2.458 257 V HA -0.128 3.944 4.120 -0.080 0.000 0.287 257 V C -0.629 175.473 176.094 0.014 0.000 1.009 257 V CA -0.071 62.213 62.300 -0.027 0.000 1.091 257 V CB -0.415 31.406 31.823 -0.002 0.000 0.960 257 V HN 0.255 8.430 8.190 -0.024 0.000 0.476 258 C N 6.058 125.386 119.300 0.047 0.000 2.945 258 C HA -0.007 4.476 4.460 0.038 0.000 0.216 258 C C -0.450 174.612 174.990 0.120 0.000 1.319 258 C CA -0.344 58.712 59.018 0.063 0.000 1.036 258 C CB 0.488 28.262 27.740 0.057 0.000 1.871 258 C HN 0.165 8.427 8.230 0.054 0.000 0.660 259 G N 3.319 112.219 108.800 0.167 0.000 3.068 259 G HA2 -0.159 3.923 3.960 0.202 0.000 0.685 259 G HA3 -0.159 3.882 3.960 0.134 0.000 0.685 259 G C -0.931 174.166 174.900 0.330 0.000 1.142 259 G CA -0.187 45.035 45.100 0.204 0.000 0.977 259 G HN -0.237 8.150 8.290 0.163 0.000 0.567 260 W N 0.000 121.300 121.300 -0.000 0.000 2.388 260 W HA 0.000 4.660 4.660 0.000 0.000 0.303 260 W CA 0.000 57.342 57.345 -0.006 0.000 1.226 260 W CB 0.000 29.450 29.460 -0.017 0.000 1.126 260 W HN 0.000 8.300 8.180 0.200 0.000 0.535