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 1joy_7_A DATA FIRST_RESID 223 DATA SEQUENCE MAAGVKQLAD DRTLLMAGVS HDLRTPLTRI RLATEMMSEQ DGYLAESINK DATA SEQUENCE DIEECNAIIE QFIDYLR 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 223 M HA 0.000 4.480 4.480 0.000 0.000 0.227 223 M C 0.000 176.300 176.300 0.001 0.000 1.140 223 M CA 0.000 55.300 55.300 0.001 0.000 0.988 223 M CB 0.000 32.600 32.600 0.001 0.000 1.302 224 A N 0.172 122.993 122.820 0.001 0.000 2.427 224 A HA 0.380 4.700 4.320 0.001 0.000 0.298 224 A C -0.819 176.766 177.584 0.002 0.000 1.036 224 A CA 0.017 52.054 52.037 0.001 0.000 0.701 224 A CB 1.074 20.074 19.000 0.001 0.000 1.250 224 A HN -0.281 7.870 8.150 0.001 0.000 0.412 225 A N 0.575 123.396 122.820 0.002 0.000 1.574 225 A HA -0.171 4.150 4.320 0.002 0.000 0.304 225 A C -0.995 176.590 177.584 0.003 0.000 0.927 225 A CA 0.271 52.309 52.037 0.002 0.000 0.514 225 A CB -0.004 18.997 19.000 0.002 0.000 1.812 225 A HN 0.215 8.366 8.150 0.002 0.000 0.245 226 G N 1.121 109.923 108.800 0.003 0.000 2.746 226 G HA2 0.120 4.083 3.960 0.004 0.000 0.297 226 G HA3 0.120 4.082 3.960 0.004 0.000 0.297 226 G C -1.326 173.577 174.900 0.005 0.000 1.426 226 G CA -0.141 44.961 45.100 0.004 0.000 0.989 226 G HN -0.190 8.102 8.290 0.003 0.000 0.520 227 V N 2.290 122.207 119.914 0.006 0.000 3.178 227 V HA -0.204 3.920 4.120 0.007 0.000 0.306 227 V C 1.029 177.128 176.094 0.008 0.000 1.107 227 V CA 0.600 62.905 62.300 0.008 0.000 1.195 227 V CB 0.773 32.602 31.823 0.010 0.000 0.993 227 V HN 0.132 8.326 8.190 0.006 0.000 0.493 228 K N 2.296 122.702 120.400 0.009 0.000 2.262 228 K HA 0.036 4.361 4.320 0.008 0.000 0.200 228 K C 1.320 177.927 176.600 0.013 0.000 1.058 228 K CA 1.336 57.629 56.287 0.009 0.000 0.974 228 K CB 0.172 32.677 32.500 0.008 0.000 0.910 228 K HN 0.096 8.351 8.250 0.009 0.000 0.484 229 Q N -0.280 119.529 119.800 0.015 0.000 2.412 229 Q HA -0.029 4.324 4.340 0.022 0.000 0.298 229 Q C -1.327 174.687 176.000 0.025 0.000 0.938 229 Q CA -0.247 55.569 55.803 0.021 0.000 0.968 229 Q CB -1.690 27.062 28.738 0.023 0.000 1.187 229 Q HN 0.212 8.490 8.270 0.014 0.000 0.421 230 L N -3.287 117.948 121.223 0.021 0.000 1.665 230 L HA 0.309 4.666 4.340 0.029 0.000 0.152 230 L C -0.833 176.049 176.870 0.019 0.000 1.320 230 L CA 1.612 56.465 54.840 0.023 0.000 1.147 230 L CB 1.779 43.850 42.059 0.019 0.000 2.398 230 L HN -0.798 7.347 8.230 0.017 0.096 0.483 231 A N -1.571 121.258 122.820 0.014 0.000 2.532 231 A HA 0.073 4.400 4.320 0.012 0.000 0.273 231 A C -0.947 176.642 177.584 0.008 0.000 1.342 231 A CA 1.136 53.180 52.037 0.011 0.000 0.929 231 A CB -0.553 18.452 19.000 0.009 0.000 1.051 231 A HN -0.079 8.079 8.150 0.013 0.000 0.521 232 D N -3.112 117.294 120.400 0.010 0.000 3.048 232 D HA 0.030 4.672 4.640 0.003 0.000 0.290 232 D C -1.400 174.906 176.300 0.009 0.000 1.667 232 D CA 0.460 54.464 54.000 0.006 0.000 0.835 232 D CB 0.757 41.559 40.800 0.005 0.000 1.438 232 D HN -0.378 7.903 8.370 0.014 0.097 0.463 233 D N -0.864 119.545 120.400 0.014 0.000 2.123 233 D HA 0.181 4.828 4.640 0.012 0.000 0.323 233 D C 0.214 176.526 176.300 0.021 0.000 1.075 233 D CA 1.256 55.266 54.000 0.017 0.000 0.892 233 D CB 1.994 42.809 40.800 0.024 0.000 1.716 233 D HN -0.111 8.268 8.370 0.016 0.000 0.531 234 R N -1.228 119.287 120.500 0.026 0.000 2.080 234 R HA -0.033 4.328 4.340 0.036 0.000 0.222 234 R C 1.621 177.933 176.300 0.021 0.000 1.107 234 R CA 2.872 58.990 56.100 0.031 0.000 0.980 234 R CB -0.104 30.218 30.300 0.038 0.000 0.879 234 R HN -0.575 7.710 8.270 0.025 0.000 0.439 235 T N 1.924 116.487 114.554 0.015 0.000 3.007 235 T HA -0.160 4.197 4.350 0.012 0.000 0.270 235 T C 1.441 176.142 174.700 0.002 0.000 1.107 235 T CA 4.553 66.658 62.100 0.009 0.000 1.118 235 T CB -0.222 68.648 68.868 0.004 0.000 0.889 235 T HN 0.309 8.558 8.240 0.015 0.000 0.506 236 L N -0.580 120.644 121.223 0.002 0.000 2.418 236 L HA -0.089 4.244 4.340 -0.012 0.000 0.218 236 L C 0.696 177.566 176.870 -0.000 0.000 1.125 236 L CA 1.910 56.748 54.840 -0.004 0.000 0.835 236 L CB -0.531 41.526 42.059 -0.003 0.000 0.953 236 L HN -0.014 8.067 8.230 0.006 0.153 0.454 237 L N -2.614 118.612 121.223 0.005 0.000 2.416 237 L HA -0.159 4.179 4.340 -0.003 0.000 0.216 237 L C 1.479 178.356 176.870 0.013 0.000 1.098 237 L CA 1.906 56.747 54.840 0.003 0.000 0.840 237 L CB -0.300 41.759 42.059 -0.000 0.000 0.981 237 L HN -0.469 7.611 8.230 0.009 0.155 0.462 238 M N 0.192 119.804 119.600 0.020 0.000 2.299 238 M HA -0.208 4.292 4.480 0.033 0.000 0.264 238 M C 1.117 177.446 176.300 0.049 0.000 1.095 238 M CA 3.780 59.100 55.300 0.032 0.000 1.165 238 M CB 0.663 33.281 32.600 0.030 0.000 1.349 238 M HN -0.577 7.723 8.290 0.016 0.000 0.446 239 A N -3.769 119.068 122.820 0.029 0.000 2.081 239 A HA -0.031 4.328 4.320 0.064 0.000 0.214 239 A C 1.189 178.776 177.584 0.005 0.000 1.158 239 A CA 1.839 53.883 52.037 0.012 0.000 0.724 239 A CB -0.386 18.588 19.000 -0.043 0.000 0.826 239 A HN -0.362 7.796 8.150 0.014 0.000 0.463 240 G N -2.535 106.272 108.800 0.011 0.000 2.437 240 G HA2 0.030 3.987 3.960 -0.005 0.000 0.212 240 G HA3 0.030 4.193 3.960 -0.001 -0.203 0.212 240 G C 0.374 175.298 174.900 0.040 0.000 1.174 240 G CA 0.960 46.066 45.100 0.011 0.000 0.811 240 G HN 0.121 8.297 8.290 0.010 0.120 0.537 241 V N 0.224 120.157 119.914 0.032 0.000 2.391 241 V HA 0.200 4.531 4.120 0.020 -0.199 0.237 241 V C 1.581 177.699 176.094 0.040 0.000 1.046 241 V CA 0.959 63.273 62.300 0.023 0.000 1.053 241 V CB 0.492 32.311 31.823 -0.006 0.000 0.704 241 V HN -0.715 7.349 8.190 0.024 0.141 0.475 242 S N 0.136 115.861 115.700 0.041 0.000 2.380 242 S HA -0.528 3.952 4.470 0.018 0.000 0.229 242 S C 1.467 176.101 174.600 0.056 0.000 1.043 242 S CA 3.805 62.028 58.200 0.039 0.000 1.038 242 S CB -0.198 63.028 63.200 0.043 0.000 0.872 242 S HN -0.653 7.677 8.310 0.034 0.000 0.456 243 H N 0.571 119.638 119.070 -0.005 0.000 2.422 243 H HA -0.314 4.241 4.556 -0.002 0.000 0.298 243 H C 0.999 176.324 175.328 -0.005 0.000 1.098 243 H CA 3.853 59.899 56.048 -0.004 0.000 1.315 243 H CB 0.430 30.190 29.762 -0.003 0.000 1.382 243 H HN -0.545 7.840 8.280 0.191 0.009 0.523 244 D N -3.415 117.017 120.400 0.054 0.000 2.346 244 D HA -0.016 4.608 4.640 -0.027 0.000 0.206 244 D C 1.678 177.961 176.300 -0.029 0.000 1.001 244 D CA 2.027 56.029 54.000 0.004 0.000 0.871 244 D CB -0.125 40.704 40.800 0.048 0.000 0.943 244 D HN -0.348 7.966 8.370 0.106 0.120 0.518 245 L N -1.594 119.615 121.223 -0.022 0.000 2.477 245 L HA 0.018 4.345 4.340 -0.023 0.000 0.220 245 L C 0.856 177.705 176.870 -0.036 0.000 1.106 245 L CA 1.456 56.281 54.840 -0.024 0.000 0.851 245 L CB 0.567 42.618 42.059 -0.014 0.000 0.994 245 L HN -0.472 7.644 8.230 -0.006 0.110 0.462 246 R N -1.371 119.096 120.500 -0.056 0.000 2.254 246 R HA -0.106 4.211 4.340 -0.038 0.000 0.195 246 R C 0.725 176.978 176.300 -0.078 0.000 0.957 246 R CA 2.299 58.364 56.100 -0.059 0.000 1.024 246 R CB 0.235 30.498 30.300 -0.061 0.000 0.952 246 R HN -0.284 7.946 8.270 -0.067 0.000 0.484 247 T N -0.143 114.346 114.554 -0.109 0.000 2.985 247 T HA 0.124 4.412 4.350 -0.104 0.000 0.266 247 T C -1.079 173.585 174.700 -0.060 0.000 1.076 247 T CA 4.545 66.582 62.100 -0.104 0.000 1.135 247 T CB -1.075 67.707 68.868 -0.143 0.000 0.890 247 T HN -0.289 7.844 8.240 -0.125 0.032 0.480 248 P HA 0.101 4.504 4.420 -0.028 0.000 0.216 248 P C 0.890 178.175 177.300 -0.024 0.000 1.156 248 P CA 2.238 65.320 63.100 -0.030 0.000 0.855 248 P CB -0.328 31.358 31.700 -0.024 0.000 0.786 249 L N -3.109 118.100 121.223 -0.023 0.000 2.261 249 L HA -0.224 4.109 4.340 -0.011 0.000 0.216 249 L C 2.403 179.263 176.870 -0.016 0.000 1.114 249 L CA 2.352 57.182 54.840 -0.016 0.000 0.777 249 L CB -1.517 40.534 42.059 -0.014 0.000 0.910 249 L HN -0.284 7.930 8.230 -0.027 0.000 0.440 250 T N 0.346 114.886 114.554 -0.023 0.000 2.701 250 T HA -0.404 3.935 4.350 -0.018 0.000 0.263 250 T C 1.982 176.673 174.700 -0.016 0.000 1.040 250 T CA 4.978 67.065 62.100 -0.021 0.000 1.147 250 T CB -0.157 68.693 68.868 -0.030 0.000 0.865 250 T HN -0.543 7.636 8.240 -0.030 0.043 0.426 251 R N 0.933 121.423 120.500 -0.017 0.000 2.081 251 R HA -0.203 4.130 4.340 -0.012 0.000 0.235 251 R C 2.679 178.974 176.300 -0.009 0.000 1.131 251 R CA 2.827 58.919 56.100 -0.013 0.000 0.960 251 R CB -0.700 29.592 30.300 -0.013 0.000 0.856 251 R HN -0.644 7.613 8.270 -0.022 0.000 0.436 252 I N -1.033 119.532 120.570 -0.009 0.000 3.111 252 I HA -0.192 3.976 4.170 -0.003 0.000 0.272 252 I C 1.514 177.629 176.117 -0.003 0.000 1.268 252 I CA 0.776 62.073 61.300 -0.005 0.000 1.467 252 I CB -0.806 37.191 38.000 -0.004 0.000 1.087 252 I HN -0.206 7.995 8.210 -0.011 0.002 0.467 253 R N -0.133 120.364 120.500 -0.006 0.000 2.115 253 R HA -0.248 4.091 4.340 -0.002 0.000 0.230 253 R C 2.418 178.716 176.300 -0.004 0.000 1.111 253 R CA 3.555 59.652 56.100 -0.004 0.000 0.976 253 R CB -0.307 29.989 30.300 -0.007 0.000 0.870 253 R HN -0.090 7.978 8.270 -0.008 0.198 0.445 254 L N -2.813 118.407 121.223 -0.005 0.000 2.307 254 L HA -0.022 4.315 4.340 -0.005 0.000 0.211 254 L C 1.532 178.401 176.870 -0.003 0.000 1.099 254 L CA 2.014 56.851 54.840 -0.005 0.000 0.816 254 L CB 0.069 42.124 42.059 -0.006 0.000 0.952 254 L HN -0.666 7.443 8.230 -0.006 0.118 0.455 255 A N -0.500 122.319 122.820 -0.002 0.000 1.902 255 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 255 A C 1.829 179.415 177.584 0.003 0.000 1.181 255 A CA 3.387 55.424 52.037 0.000 0.000 0.623 255 A CB -0.608 18.392 19.000 0.001 0.000 0.818 255 A HN -0.407 7.633 8.150 -0.003 0.109 0.443 256 T N -4.807 109.750 114.554 0.004 0.000 3.067 256 T HA -0.190 4.167 4.350 0.012 0.000 0.257 256 T C 1.882 176.584 174.700 0.003 0.000 1.105 256 T CA 2.738 64.843 62.100 0.008 0.000 1.104 256 T CB 0.168 69.044 68.868 0.013 0.000 0.925 256 T HN -0.087 8.154 8.240 0.003 0.000 0.498 257 E N 2.630 122.830 120.200 -0.001 0.000 2.152 257 E HA -0.242 4.104 4.350 -0.007 0.000 0.192 257 E C 1.156 177.751 176.600 -0.009 0.000 0.983 257 E CA 2.498 58.895 56.400 -0.006 0.000 0.818 257 E CB -0.307 29.389 29.700 -0.006 0.000 0.758 257 E HN -0.486 7.724 8.360 -0.001 0.150 0.467 258 M N -1.784 117.812 119.600 -0.006 0.000 2.123 258 M HA -0.193 4.281 4.480 -0.009 0.000 0.263 258 M C 1.665 177.960 176.300 -0.008 0.000 1.069 258 M CA 2.820 58.116 55.300 -0.007 0.000 1.133 258 M CB 0.587 33.184 32.600 -0.004 0.000 1.356 258 M HN -0.598 7.670 8.290 -0.004 0.019 0.415 259 M N -1.864 117.734 119.600 -0.004 0.000 2.563 259 M HA -0.037 4.440 4.480 -0.006 0.000 0.231 259 M C 0.249 176.542 176.300 -0.012 0.000 1.136 259 M CA -0.039 55.259 55.300 -0.003 0.000 1.026 259 M CB -0.437 32.167 32.600 0.008 0.000 1.597 259 M HN -0.494 7.729 8.290 -0.001 0.067 0.495 260 S N -0.782 114.908 115.700 -0.018 0.000 2.515 260 S HA -0.249 4.233 4.470 -0.032 -0.032 0.231 260 S C 1.072 175.637 174.600 -0.058 0.000 0.987 260 S CA 2.293 60.473 58.200 -0.034 0.000 0.936 260 S CB -0.443 62.742 63.200 -0.025 0.000 0.766 260 S HN -0.598 7.546 8.310 -0.013 0.158 0.528 261 E N 0.531 120.704 120.200 -0.045 0.000 2.206 261 E HA -0.051 4.259 4.350 -0.066 0.000 0.195 261 E C 1.383 177.952 176.600 -0.052 0.000 0.935 261 E CA 1.484 57.853 56.400 -0.051 0.000 0.875 261 E CB 0.149 29.829 29.700 -0.034 0.000 0.841 261 E HN -0.769 7.514 8.360 -0.031 0.058 0.477 262 Q N -1.183 118.596 119.800 -0.033 0.000 2.482 262 Q HA -0.095 4.231 4.340 -0.023 0.000 0.209 262 Q C -0.095 175.892 176.000 -0.021 0.000 0.961 262 Q CA 1.008 56.798 55.803 -0.022 0.000 0.945 262 Q CB 0.641 29.374 28.738 -0.008 0.000 1.012 262 Q HN -0.406 7.788 8.270 -0.026 0.061 0.515 263 D N -3.460 116.914 120.400 -0.043 0.000 4.407 263 D HA 0.030 4.630 4.640 -0.066 0.000 0.224 263 D C -0.083 176.162 176.300 -0.091 0.000 1.474 263 D CA 0.499 54.476 54.000 -0.038 0.000 0.954 263 D CB 0.472 41.301 40.800 0.049 0.000 1.323 263 D HN -0.324 7.855 8.370 -0.055 0.157 0.911 264 G N 0.548 109.236 108.800 -0.187 0.000 2.745 264 G HA2 -0.516 3.381 3.960 -0.092 0.000 0.225 264 G HA3 -0.516 3.247 3.960 -0.229 0.060 0.225 264 G C 0.729 175.572 174.900 -0.096 0.000 1.108 264 G CA 2.632 47.631 45.100 -0.169 0.000 0.749 264 G HN -0.036 8.146 8.290 -0.188 -0.004 0.625 265 Y N 1.547 121.847 120.300 -0.001 0.000 2.062 265 Y HA -0.465 4.085 4.550 -0.000 0.000 0.273 265 Y C 1.983 177.882 175.900 -0.001 0.000 1.206 265 Y CA 2.097 60.197 58.100 -0.001 0.000 1.125 265 Y CB -1.054 37.406 38.460 -0.000 0.000 0.951 265 Y HN -0.629 7.277 8.280 -0.572 0.031 0.501 266 L N -2.495 118.828 121.223 0.166 0.000 1.929 266 L HA -0.610 3.780 4.340 0.083 0.000 0.229 266 L C 1.810 178.715 176.870 0.058 0.000 1.086 266 L CA 3.181 58.074 54.840 0.087 0.000 0.798 266 L CB -0.777 41.317 42.059 0.058 0.000 0.898 266 L HN -0.061 8.276 8.230 0.174 -0.002 0.436 267 A N -2.782 120.058 122.820 0.035 0.000 1.879 267 A HA -0.518 3.810 4.320 0.015 0.000 0.234 267 A C 2.423 180.022 177.584 0.026 0.000 1.742 267 A CA 2.844 54.893 52.037 0.020 0.000 0.775 267 A CB -1.150 17.853 19.000 0.006 0.000 0.849 267 A HN -0.324 7.843 8.150 0.028 0.000 0.487 268 E N -2.600 117.620 120.200 0.033 0.000 2.118 268 E HA -0.356 4.009 4.350 0.025 0.000 0.195 268 E C 2.864 179.490 176.600 0.042 0.000 0.992 268 E CA 2.994 59.416 56.400 0.037 0.000 0.804 268 E CB -0.575 29.153 29.700 0.047 0.000 0.741 268 E HN -0.206 8.173 8.360 0.032 0.000 0.458 269 S N -0.275 115.459 115.700 0.057 0.000 2.407 269 S HA -0.307 4.188 4.470 0.041 0.000 0.235 269 S C 1.954 176.570 174.600 0.028 0.000 1.036 269 S CA 3.043 61.269 58.200 0.044 0.000 1.013 269 S CB -0.241 62.989 63.200 0.050 0.000 0.820 269 S HN -0.273 8.009 8.310 0.075 0.072 0.476 270 I N 1.013 121.598 120.570 0.025 0.000 2.731 270 I HA -0.328 3.850 4.170 0.013 0.000 0.235 270 I C 0.997 177.121 176.117 0.012 0.000 1.064 270 I CA 3.098 64.407 61.300 0.015 0.000 1.439 270 I CB 0.197 38.205 38.000 0.013 0.000 1.255 270 I HN -0.376 7.715 8.210 0.029 0.137 0.446 271 N N -0.262 118.445 118.700 0.011 0.000 2.242 271 N HA -0.427 4.316 4.740 0.005 0.000 0.193 271 N C 2.194 177.710 175.510 0.011 0.000 1.000 271 N CA 3.498 56.553 53.050 0.008 0.000 0.885 271 N CB -0.191 38.301 38.487 0.008 0.000 0.988 271 N HN -0.315 8.073 8.380 0.012 0.000 0.444 272 K N -1.270 119.139 120.400 0.015 0.000 2.044 272 K HA -0.189 4.140 4.320 0.014 0.000 0.204 272 K C 1.453 178.062 176.600 0.014 0.000 1.049 272 K CA 3.422 59.718 56.287 0.016 0.000 0.945 272 K CB -0.225 32.287 32.500 0.021 0.000 0.724 272 K HN -0.086 8.131 8.250 0.018 0.044 0.440 273 D N 0.344 120.753 120.400 0.014 0.000 2.311 273 D HA -0.218 4.431 4.640 0.014 0.000 0.212 273 D C 2.306 178.613 176.300 0.011 0.000 0.972 273 D CA 2.591 56.598 54.000 0.013 0.000 0.887 273 D CB -0.452 40.354 40.800 0.011 0.000 0.915 273 D HN -0.471 7.838 8.370 0.015 0.070 0.497 274 I N -0.302 120.274 120.570 0.009 0.000 2.277 274 I HA -0.456 3.717 4.170 0.005 0.000 0.243 274 I C 1.484 177.606 176.117 0.009 0.000 1.094 274 I CA 3.269 64.573 61.300 0.006 0.000 1.393 274 I CB -0.292 37.710 38.000 0.003 0.000 1.078 274 I HN -0.024 8.102 8.210 0.009 0.090 0.417 275 E N -0.005 120.202 120.200 0.010 0.000 2.058 275 E HA -0.414 3.942 4.350 0.010 0.000 0.194 275 E C 2.293 178.902 176.600 0.014 0.000 0.997 275 E CA 3.945 60.352 56.400 0.011 0.000 0.801 275 E CB -0.084 29.623 29.700 0.011 0.000 0.746 275 E HN -0.625 7.658 8.360 0.010 0.083 0.450 276 E N -1.991 118.219 120.200 0.016 0.000 2.204 276 E HA -0.271 4.090 4.350 0.019 0.000 0.194 276 E C 1.818 178.435 176.600 0.028 0.000 0.989 276 E CA 2.840 59.252 56.400 0.021 0.000 0.824 276 E CB -1.156 28.556 29.700 0.021 0.000 0.756 276 E HN -0.388 7.981 8.360 0.015 0.000 0.477 277 C N -1.194 118.120 119.300 0.024 0.000 2.432 277 C HA -0.374 4.106 4.460 0.034 0.000 0.280 277 C C 1.068 176.075 174.990 0.029 0.000 1.353 277 C CA 2.601 61.635 59.018 0.026 0.000 1.766 277 C CB -0.323 27.425 27.740 0.014 0.000 1.924 277 C HN -0.427 7.676 8.230 0.018 0.138 0.509 278 N N 0.642 119.356 118.700 0.023 0.000 2.251 278 N HA -0.224 4.531 4.740 0.024 0.000 0.181 278 N C 1.162 176.688 175.510 0.027 0.000 1.019 278 N CA 3.221 56.285 53.050 0.023 0.000 0.862 278 N CB 0.393 38.890 38.487 0.017 0.000 0.992 278 N HN -0.575 7.676 8.380 0.019 0.140 0.429 279 A N 0.359 123.194 122.820 0.024 0.000 1.877 279 A HA -0.246 4.082 4.320 0.013 0.000 0.216 279 A C 1.980 179.577 177.584 0.022 0.000 1.186 279 A CA 3.026 55.073 52.037 0.017 0.000 0.620 279 A CB -0.287 18.720 19.000 0.012 0.000 0.822 279 A HN -0.562 7.601 8.150 0.022 0.000 0.443 280 I N -5.212 115.388 120.570 0.049 0.000 2.361 280 I HA -0.417 3.897 4.170 0.035 -0.122 0.251 280 I C 1.787 178.007 176.117 0.171 0.000 1.133 280 I CA 3.602 64.969 61.300 0.111 0.000 1.413 280 I CB -0.471 37.633 38.000 0.173 0.000 1.073 280 I HN -0.274 7.965 8.210 0.048 0.000 0.424 281 I N -0.789 119.843 120.570 0.105 0.000 2.676 281 I HA -0.362 3.870 4.170 0.104 0.000 0.259 281 I C 2.491 178.645 176.117 0.060 0.000 1.194 281 I CA 2.414 63.764 61.300 0.083 0.000 1.473 281 I CB -1.651 36.375 38.000 0.044 0.000 1.096 281 I HN -0.660 7.486 8.210 0.073 0.108 0.443 282 E N 0.242 120.467 120.200 0.041 0.000 2.060 282 E HA -0.255 4.116 4.350 0.035 0.000 0.189 282 E C 2.405 179.019 176.600 0.024 0.000 0.974 282 E CA 3.317 59.735 56.400 0.030 0.000 0.808 282 E CB 0.135 29.848 29.700 0.021 0.000 0.768 282 E HN -0.333 7.897 8.360 0.039 0.154 0.453 283 Q N -2.090 117.701 119.800 -0.016 0.000 2.230 283 Q HA -0.164 4.318 4.340 0.037 -0.120 0.202 283 Q C 1.849 177.779 176.000 -0.116 0.000 0.963 283 Q CA 2.512 58.293 55.803 -0.036 0.000 0.866 283 Q CB -0.075 28.591 28.738 -0.120 0.000 0.931 283 Q HN -0.285 7.971 8.270 -0.023 0.000 0.452 284 F N -1.762 118.010 119.950 -0.296 0.000 2.270 284 F HA -0.080 3.056 4.527 -2.320 0.000 0.295 284 F C 1.923 177.457 175.800 -0.443 0.000 1.087 284 F CA 2.578 60.035 58.000 -0.905 0.000 1.365 284 F CB 0.447 39.084 39.000 -0.606 0.000 1.056 284 F HN -0.374 7.871 8.300 -0.056 0.021 0.506 285 I N 0.325 120.918 120.570 0.038 0.000 2.361 285 I HA -0.464 3.739 4.170 0.055 0.000 0.251 285 I C 1.416 177.612 176.117 0.133 0.000 1.133 285 I CA 1.822 63.163 61.300 0.069 0.000 1.413 285 I CB -0.856 37.175 38.000 0.052 0.000 1.073 285 I HN -0.508 7.733 8.210 0.051 0.000 0.424 286 D N -0.429 120.073 120.400 0.170 0.000 2.309 286 D HA -0.269 4.447 4.640 0.126 0.000 0.212 286 D C 1.993 178.467 176.300 0.291 0.000 0.968 286 D CA 2.969 57.084 54.000 0.191 0.000 0.882 286 D CB -0.573 40.325 40.800 0.164 0.000 0.918 286 D HN -0.468 7.971 8.370 0.137 0.014 0.503 287 Y N -1.947 118.392 120.300 0.064 0.000 2.298 287 Y HA -0.299 4.278 4.550 0.045 0.000 0.287 287 Y C 1.566 177.499 175.900 0.054 0.000 1.164 287 Y CA 1.573 59.715 58.100 0.070 0.000 1.229 287 Y CB -0.163 38.385 38.460 0.146 0.000 0.977 287 Y HN -0.549 7.904 8.280 0.605 0.189 0.538 288 L N -1.893 119.465 121.223 0.224 0.000 2.990 288 L HA 0.150 4.558 4.340 0.113 0.000 0.231 288 L C -0.994 175.927 176.870 0.085 0.000 1.341 288 L CA -0.580 54.335 54.840 0.125 0.000 1.208 288 L CB -1.678 40.444 42.059 0.104 0.000 1.571 288 L HN -0.677 7.552 8.230 0.239 0.145 0.453 289 R N 0.000 120.545 120.500 0.074 0.000 2.786 289 R HA 0.000 4.366 4.340 0.043 0.000 0.208 289 R CA 0.000 56.129 56.100 0.047 0.000 0.921 289 R CB 0.000 30.330 30.300 0.051 0.000 0.687 289 R HN 0.000 8.244 8.270 0.081 0.075 0.535