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 2eyx_1_A DATA FIRST_RESID 232 DATA SEQUENCE NLQNGPIYAR VIQKRVPNAY DKTALALEVG ELVKVTKINV SGQWEGECNG DATA SEQUENCE KRGHFPFTHV RLLDQQN 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 232 N HA 0.000 4.747 4.740 0.011 0.000 0.220 232 N C 0.000 175.521 175.510 0.018 0.000 1.280 232 N CA 0.000 53.058 53.050 0.013 0.000 0.885 232 N CB 0.000 38.495 38.487 0.014 0.000 1.341 233 L N 1.276 122.511 121.223 0.019 0.000 2.071 233 L HA -0.092 4.262 4.340 0.023 0.000 0.201 233 L C 1.513 178.404 176.870 0.035 0.000 1.076 233 L CA 2.496 57.350 54.840 0.025 0.000 0.755 233 L CB 0.253 42.326 42.059 0.022 0.000 0.915 233 L HN 0.132 8.372 8.230 0.017 0.000 0.445 234 Q N -0.039 119.781 119.800 0.034 0.000 2.103 234 Q HA -0.334 4.193 4.340 0.046 -0.160 0.213 234 Q C 0.393 176.422 176.000 0.048 0.000 1.008 234 Q CA 3.288 59.115 55.803 0.040 0.000 0.879 234 Q CB -0.486 28.271 28.738 0.032 0.000 0.946 234 Q HN 0.447 8.734 8.270 0.028 0.000 0.413 235 N N -3.807 114.917 118.700 0.040 0.000 2.538 235 N HA 0.029 4.805 4.740 0.059 0.000 0.291 235 N C -0.412 175.124 175.510 0.043 0.000 1.323 235 N CA -0.677 52.399 53.050 0.044 0.000 0.934 235 N CB -1.094 37.410 38.487 0.029 0.000 1.255 235 N HN -0.264 8.136 8.380 0.032 0.000 0.509 236 G N 1.757 110.586 108.800 0.048 0.000 2.680 236 G HA2 -0.069 4.060 3.960 0.029 0.000 0.274 236 G HA3 -0.069 3.915 3.960 0.040 0.000 0.274 236 G C -0.625 174.306 174.900 0.051 0.000 1.292 236 G CA -0.571 44.554 45.100 0.041 0.000 1.007 236 G HN -0.202 7.965 8.290 0.051 0.154 0.578 237 P HA -0.157 4.290 4.420 0.046 0.000 0.216 237 P C -0.376 176.978 177.300 0.089 0.000 1.153 237 P CA 1.141 64.271 63.100 0.050 0.000 0.844 237 P CB 0.430 32.147 31.700 0.029 0.000 0.787 238 I N -1.544 119.073 120.570 0.078 0.000 2.742 238 I HA -0.213 4.013 4.170 0.094 0.000 0.287 238 I C -0.672 175.559 176.117 0.191 0.000 1.186 238 I CA 1.076 62.436 61.300 0.101 0.000 1.417 238 I CB -0.417 37.611 38.000 0.048 0.000 1.377 238 I HN -0.684 7.557 8.210 0.051 0.000 0.556 239 Y N 9.090 129.436 120.300 0.076 0.000 2.594 239 Y HA 0.254 4.856 4.550 0.087 0.000 0.338 239 Y C -2.894 173.080 175.900 0.124 0.000 1.019 239 Y CA -1.316 56.836 58.100 0.087 0.000 1.306 239 Y CB 1.619 40.117 38.460 0.062 0.000 1.094 239 Y HN -0.226 8.190 8.280 0.227 0.000 0.534 240 A N 7.785 130.488 122.820 -0.195 0.000 2.273 240 A HA 0.428 4.667 4.320 -0.299 -0.098 0.315 240 A C -2.123 175.309 177.584 -0.253 0.000 1.256 240 A CA -1.522 50.407 52.037 -0.181 0.000 0.851 240 A CB 2.349 21.483 19.000 0.223 0.000 1.172 240 A HN 0.064 8.219 8.150 0.008 0.000 0.508 241 R N 3.412 123.690 120.500 -0.370 0.000 2.549 241 R HA 0.891 5.307 4.340 -0.163 -0.174 0.267 241 R C -0.803 175.414 176.300 -0.137 0.000 1.045 241 R CA -1.415 54.554 56.100 -0.217 0.000 1.115 241 R CB 2.978 33.169 30.300 -0.182 0.000 1.121 241 R HN -0.306 7.694 8.270 -0.450 0.000 0.543 242 V N -0.821 119.022 119.914 -0.119 0.000 2.732 242 V HA 0.120 4.149 4.120 -0.150 0.000 0.310 242 V C -1.144 174.891 176.094 -0.098 0.000 1.053 242 V CA -0.446 61.773 62.300 -0.134 0.000 0.957 242 V CB 2.453 34.174 31.823 -0.169 0.000 1.018 242 V HN 0.578 8.675 8.190 -0.096 0.035 0.452 243 I N -3.937 116.573 120.570 -0.100 0.000 4.442 243 I HA 0.309 4.492 4.170 -0.065 -0.053 0.331 243 I C -1.279 174.786 176.117 -0.088 0.000 1.364 243 I CA -0.902 60.351 61.300 -0.077 0.000 1.207 243 I CB 1.394 39.357 38.000 -0.063 0.000 1.298 243 I HN -0.152 7.988 8.210 -0.116 0.000 0.463 244 Q N 1.708 121.439 119.800 -0.115 0.000 2.375 244 Q HA 0.178 4.428 4.340 -0.150 0.000 0.271 244 Q C -1.572 174.322 176.000 -0.177 0.000 1.074 244 Q CA -1.270 54.433 55.803 -0.166 0.000 0.808 244 Q CB 3.642 32.233 28.738 -0.245 0.000 1.327 244 Q HN -0.764 7.434 8.270 -0.121 0.000 0.441 245 K N 3.358 123.654 120.400 -0.174 0.000 2.299 245 K HA 0.217 4.578 4.320 -0.127 -0.117 0.268 245 K C -0.646 175.861 176.600 -0.154 0.000 1.075 245 K CA -0.877 55.326 56.287 -0.139 0.000 0.936 245 K CB 0.065 32.505 32.500 -0.101 0.000 1.228 245 K HN 0.163 8.307 8.250 -0.176 0.000 0.454 246 R N 6.308 126.725 120.500 -0.139 0.000 2.494 246 R HA 0.335 4.604 4.340 -0.119 0.000 0.305 246 R C -1.523 174.748 176.300 -0.050 0.000 0.959 246 R CA -1.469 54.568 56.100 -0.105 0.000 0.864 246 R CB 2.061 32.308 30.300 -0.088 0.000 1.159 246 R HN 0.004 8.197 8.270 -0.128 0.000 0.446 247 V N 2.038 121.932 119.914 -0.035 0.000 2.546 247 V HA 0.316 4.424 4.120 -0.020 0.000 0.284 247 V C -1.125 174.972 176.094 0.005 0.000 1.050 247 V CA -3.176 59.114 62.300 -0.017 0.000 0.981 247 V CB 0.369 32.181 31.823 -0.019 0.000 0.990 247 V HN 0.216 8.381 8.190 -0.042 0.000 0.474 248 P HA 0.072 4.518 4.420 0.044 0.000 0.272 248 P C -0.956 176.357 177.300 0.022 0.000 1.223 248 P CA -0.431 62.684 63.100 0.026 0.000 0.784 248 P CB 0.765 32.477 31.700 0.019 0.000 0.923 249 N N 0.848 119.571 118.700 0.040 0.000 2.479 249 N HA -0.192 4.576 4.740 0.046 0.000 0.257 249 N C 1.767 177.291 175.510 0.023 0.000 1.232 249 N CA -0.086 52.995 53.050 0.051 0.000 0.920 249 N CB 0.759 39.300 38.487 0.089 0.000 1.105 249 N HN 0.114 8.524 8.380 0.051 0.000 0.444 250 A N 4.145 126.961 122.820 -0.007 0.000 1.933 250 A HA -0.154 4.100 4.320 -0.111 0.000 0.218 250 A C 0.556 178.021 177.584 -0.198 0.000 1.175 250 A CA 2.096 54.054 52.037 -0.132 0.000 0.628 250 A CB -0.106 18.761 19.000 -0.222 0.000 0.814 250 A HN 0.408 8.573 8.150 0.024 0.000 0.444 251 Y N -2.858 117.446 120.300 0.007 0.000 2.881 251 Y HA 0.003 4.556 4.550 0.005 0.000 0.369 251 Y C -1.541 174.363 175.900 0.007 0.000 1.066 251 Y CA -0.479 57.625 58.100 0.007 0.000 1.616 251 Y CB -0.587 37.878 38.460 0.009 0.000 1.436 251 Y HN -0.807 7.755 8.280 0.175 -0.177 0.505 252 D N -0.350 120.100 120.400 0.082 0.000 2.686 252 D HA 0.142 4.821 4.640 0.065 0.000 0.249 252 D C -0.057 176.247 176.300 0.005 0.000 1.260 252 D CA -0.897 53.133 54.000 0.050 0.000 0.910 252 D CB 0.874 41.702 40.800 0.046 0.000 1.323 252 D HN -0.906 7.373 8.370 0.025 0.106 0.561 253 K N 3.739 124.137 120.400 -0.004 0.000 2.121 253 K HA 0.111 4.419 4.320 -0.019 0.000 0.203 253 K C 1.267 177.833 176.600 -0.057 0.000 1.041 253 K CA 0.946 57.220 56.287 -0.022 0.000 0.969 253 K CB 0.454 32.949 32.500 -0.007 0.000 0.799 253 K HN 0.376 8.632 8.250 0.010 0.000 0.456 254 T N -2.490 111.998 114.554 -0.110 0.000 3.434 254 T HA -0.001 4.260 4.350 -0.149 0.000 0.249 254 T C -1.381 173.125 174.700 -0.325 0.000 1.050 254 T CA -0.702 61.258 62.100 -0.233 0.000 0.952 254 T CB -0.426 68.232 68.868 -0.350 0.000 1.046 254 T HN -0.135 8.053 8.240 -0.088 0.000 0.590 255 A N 1.626 124.362 122.820 -0.140 0.000 2.331 255 A HA 0.212 4.610 4.320 -0.082 -0.127 0.283 255 A C -1.004 176.584 177.584 0.007 0.000 1.142 255 A CA -1.084 50.917 52.037 -0.059 0.000 0.812 255 A CB 1.441 20.440 19.000 -0.001 0.000 1.074 255 A HN -0.495 7.472 8.150 -0.088 0.130 0.497 256 L N 3.791 125.071 121.223 0.095 0.000 2.282 256 L HA 0.127 4.523 4.340 0.093 0.000 0.288 256 L C -1.104 175.836 176.870 0.116 0.000 1.033 256 L CA -0.894 54.035 54.840 0.149 0.000 0.807 256 L CB 1.848 44.107 42.059 0.332 0.000 1.209 256 L HN -0.231 8.079 8.230 0.133 0.000 0.423 257 A N 3.586 126.434 122.820 0.047 0.000 2.388 257 A HA 0.018 4.346 4.320 0.013 0.000 0.257 257 A C -1.083 176.471 177.584 -0.050 0.000 1.095 257 A CA -0.443 51.596 52.037 0.004 0.000 0.791 257 A CB 1.071 20.066 19.000 -0.008 0.000 1.029 257 A HN 0.180 8.355 8.150 0.041 0.000 0.489 258 L N 1.182 122.359 121.223 -0.078 0.000 2.356 258 L HA 0.312 4.538 4.340 -0.189 0.000 0.277 258 L C -0.651 176.150 176.870 -0.115 0.000 0.996 258 L CA -0.783 53.970 54.840 -0.146 0.000 0.822 258 L CB 2.269 44.219 42.059 -0.181 0.000 1.256 258 L HN -0.277 7.922 8.230 -0.052 0.000 0.413 259 E N 3.417 123.550 120.200 -0.112 0.000 2.186 259 E HA 0.130 4.430 4.350 -0.084 0.000 0.255 259 E C -1.398 175.149 176.600 -0.089 0.000 0.881 259 E CA -1.885 54.463 56.400 -0.086 0.000 0.752 259 E CB 1.258 30.921 29.700 -0.061 0.000 1.176 259 E HN 0.216 8.774 8.360 -0.128 -0.274 0.421 260 V N 3.932 123.791 119.914 -0.092 0.000 2.703 260 V HA -0.461 3.602 4.120 -0.097 -0.001 0.300 260 V C 0.600 176.658 176.094 -0.061 0.000 1.063 260 V CA 1.786 64.036 62.300 -0.084 0.000 1.240 260 V CB 0.082 31.858 31.823 -0.079 0.000 0.845 260 V HN 0.460 8.621 8.190 -0.098 -0.029 0.476 261 G N 6.746 115.512 108.800 -0.057 0.000 2.545 261 G HA2 -0.299 3.715 3.960 -0.027 0.000 0.279 261 G HA3 -0.299 3.646 3.960 -0.025 0.000 0.279 261 G C -1.915 172.970 174.900 -0.025 0.000 1.131 261 G CA -0.396 44.684 45.100 -0.033 0.000 1.100 261 G HN 0.388 8.547 8.290 -0.070 0.089 0.525 262 E N -1.947 118.231 120.200 -0.036 0.000 2.412 262 E HA 0.248 4.599 4.350 0.003 0.000 0.279 262 E C -2.246 174.345 176.600 -0.015 0.000 0.984 262 E CA -2.137 54.250 56.400 -0.022 0.000 0.788 262 E CB 3.153 32.827 29.700 -0.044 0.000 1.277 262 E HN -0.759 7.650 8.360 -0.055 -0.082 0.455 263 L N 2.196 123.437 121.223 0.030 0.000 2.265 263 L HA 0.159 4.519 4.340 0.034 0.000 0.288 263 L C -2.491 174.405 176.870 0.042 0.000 1.058 263 L CA -0.290 54.591 54.840 0.068 0.000 0.809 263 L CB 1.076 43.235 42.059 0.167 0.000 1.179 263 L HN 0.629 8.882 8.230 0.037 0.000 0.429 264 V N 5.533 125.462 119.914 0.025 0.000 2.709 264 V HA 0.511 4.743 4.120 0.070 -0.070 0.308 264 V C -2.687 173.495 176.094 0.146 0.000 1.062 264 V CA -2.689 59.646 62.300 0.058 0.000 0.901 264 V CB 3.895 35.688 31.823 -0.048 0.000 1.003 264 V HN 0.882 9.067 8.190 -0.009 0.000 0.425 265 K N 8.348 128.856 120.400 0.180 0.000 2.592 265 K HA 0.354 4.796 4.320 0.203 0.000 0.212 265 K C -0.726 175.999 176.600 0.210 0.000 1.013 265 K CA -2.086 54.313 56.287 0.188 0.000 1.034 265 K CB -0.734 31.851 32.500 0.141 0.000 1.292 265 K HN -0.295 8.053 8.250 0.163 0.000 0.521 266 V N 0.494 120.588 119.914 0.300 0.000 4.119 266 V HA -0.326 4.046 4.120 0.297 -0.073 0.286 266 V C -0.116 176.039 176.094 0.101 0.000 0.996 266 V CA 1.366 63.817 62.300 0.252 0.000 1.027 266 V CB 0.659 32.640 31.823 0.264 0.000 1.193 266 V HN 0.165 8.591 8.190 0.393 0.000 0.454 267 T N -4.947 109.628 114.554 0.034 0.000 3.105 267 T HA 0.106 4.452 4.350 -0.006 0.000 0.257 267 T C -0.367 174.286 174.700 -0.078 0.000 0.949 267 T CA -0.259 61.835 62.100 -0.010 0.000 0.959 267 T CB 1.728 70.605 68.868 0.015 0.000 1.205 267 T HN -0.388 7.771 8.240 0.028 0.098 0.496 268 K N 2.531 122.866 120.400 -0.109 0.000 2.613 268 K HA 0.287 4.494 4.320 -0.188 0.000 0.248 268 K C -2.172 174.274 176.600 -0.256 0.000 0.959 268 K CA -0.565 55.621 56.287 -0.168 0.000 0.855 268 K CB 2.416 34.845 32.500 -0.119 0.000 1.143 268 K HN 0.039 8.137 8.250 -0.077 0.106 0.437 269 I N 5.318 125.627 120.570 -0.436 0.000 2.379 269 I HA -0.032 3.664 4.170 -0.790 0.000 0.290 269 I C -0.891 175.017 176.117 -0.349 0.000 1.063 269 I CA 0.033 60.903 61.300 -0.716 0.000 1.351 269 I CB 0.264 37.521 38.000 -1.238 0.000 1.410 269 I HN 0.323 8.285 8.210 -0.413 0.000 0.505 270 N N 8.082 126.706 118.700 -0.127 0.000 2.408 270 N HA 0.064 4.754 4.740 -0.084 0.000 0.260 270 N C 0.096 175.613 175.510 0.012 0.000 1.242 270 N CA -0.644 52.383 53.050 -0.039 0.000 0.959 270 N CB 1.995 40.484 38.487 0.004 0.000 1.201 270 N HN -0.346 8.039 8.380 0.008 0.000 0.511 271 V N -3.899 116.019 119.914 0.006 0.000 3.649 271 V HA 0.174 4.314 4.120 0.033 0.000 0.275 271 V C 0.301 176.430 176.094 0.058 0.000 1.281 271 V CA 1.847 64.162 62.300 0.026 0.000 1.143 271 V CB 0.250 32.073 31.823 0.000 0.000 0.892 271 V HN 0.051 8.234 8.190 -0.013 0.000 0.441 272 S N 0.472 116.213 115.700 0.069 0.000 2.575 272 S HA 0.103 4.608 4.470 0.057 0.000 0.237 272 S C 0.732 175.395 174.600 0.104 0.000 0.975 272 S CA -1.458 56.782 58.200 0.067 0.000 0.960 272 S CB -0.472 62.750 63.200 0.037 0.000 0.822 272 S HN -0.217 8.053 8.310 0.065 0.078 0.472 273 G N -0.184 108.726 108.800 0.184 0.000 2.143 273 G HA2 -0.315 3.903 3.960 0.430 0.000 0.248 273 G HA3 -0.315 3.762 3.960 0.195 0.000 0.248 273 G C -2.195 172.815 174.900 0.184 0.000 0.991 273 G CA 0.399 45.657 45.100 0.263 0.000 0.689 273 G HN -0.427 7.900 8.290 0.197 0.081 0.522 274 Q N -0.624 119.284 119.800 0.179 0.000 2.357 274 Q HA 0.374 4.830 4.340 0.004 -0.113 0.266 274 Q C -1.308 174.802 176.000 0.182 0.000 1.021 274 Q CA -1.621 54.232 55.803 0.083 0.000 0.784 274 Q CB 2.180 30.937 28.738 0.031 0.000 1.243 274 Q HN -0.419 7.924 8.270 0.195 0.045 0.465 275 W N 6.165 127.236 121.300 -0.382 0.000 2.349 275 W HA 0.386 4.981 4.660 -0.330 -0.132 0.309 275 W C -0.506 175.613 176.519 -0.667 0.000 1.083 275 W CA -3.931 53.113 57.345 -0.501 0.000 1.224 275 W CB 0.602 29.793 29.460 -0.449 0.000 1.256 275 W HN 0.031 8.039 8.180 -0.287 0.000 0.461 276 E N 1.478 121.596 120.200 -0.137 0.000 2.171 276 E HA 0.830 5.277 4.350 -0.039 -0.121 0.271 276 E C -0.931 175.688 176.600 0.032 0.000 0.916 276 E CA -1.713 54.663 56.400 -0.040 0.000 0.774 276 E CB 2.940 32.608 29.700 -0.053 0.000 1.128 276 E HN 0.086 8.388 8.360 -0.097 0.000 0.403 277 G N 2.888 111.761 108.800 0.122 0.000 2.419 277 G HA2 -0.045 3.975 3.960 0.099 0.000 0.061 277 G HA3 -0.045 4.009 3.960 0.099 -0.034 0.061 277 G C -2.891 172.109 174.900 0.167 0.000 0.907 277 G CA 1.113 46.286 45.100 0.122 0.000 1.174 277 G HN 0.282 8.674 8.290 0.170 0.000 0.468 278 E N 3.104 123.411 120.200 0.178 0.000 2.134 278 E HA 0.835 5.510 4.350 0.150 -0.235 0.278 278 E C -1.888 174.854 176.600 0.236 0.000 0.959 278 E CA -1.945 54.558 56.400 0.172 0.000 0.783 278 E CB 2.529 32.303 29.700 0.122 0.000 1.095 278 E HN -0.305 8.053 8.360 0.166 0.102 0.399 279 C N 6.847 126.270 119.300 0.206 0.000 2.442 279 C HA 0.333 4.881 4.460 0.146 0.000 0.335 279 C C -0.690 174.337 174.990 0.063 0.000 1.134 279 C CA -0.944 58.166 59.018 0.154 0.000 1.344 279 C CB 1.254 29.111 27.740 0.196 0.000 1.956 279 C HN 0.890 9.101 8.230 0.170 0.121 0.438 280 N N 8.802 127.524 118.700 0.036 0.000 2.721 280 N HA -0.374 4.520 4.740 0.028 -0.138 0.249 280 N C -0.234 175.297 175.510 0.034 0.000 1.072 280 N CA 1.306 54.369 53.050 0.022 0.000 0.710 280 N CB -0.817 37.663 38.487 -0.011 0.000 0.993 280 N HN 0.671 9.077 8.380 0.044 0.000 0.547 281 G N -7.784 101.047 108.800 0.051 0.000 2.147 281 G HA2 -0.436 3.555 3.960 0.052 0.000 0.244 281 G HA3 -0.436 3.546 3.960 0.037 0.000 0.244 281 G C -1.034 173.894 174.900 0.047 0.000 1.005 281 G CA -0.001 45.127 45.100 0.047 0.000 0.713 281 G HN 0.467 8.785 8.290 0.065 0.011 0.515 282 K N -1.411 119.026 120.400 0.062 0.000 2.400 282 K HA 0.262 4.610 4.320 0.048 0.000 0.246 282 K C -1.676 174.977 176.600 0.089 0.000 0.995 282 K CA -2.000 54.325 56.287 0.063 0.000 0.840 282 K CB 3.022 35.556 32.500 0.056 0.000 1.293 282 K HN -0.369 7.758 8.250 0.075 0.168 0.445 283 R N -0.141 120.403 120.500 0.072 0.000 2.599 283 R HA 1.025 5.714 4.340 0.113 -0.281 0.295 283 R C 0.087 176.419 176.300 0.054 0.000 0.963 283 R CA -1.628 54.520 56.100 0.080 0.000 0.883 283 R CB 2.898 33.233 30.300 0.058 0.000 1.171 283 R HN 0.271 8.572 8.270 0.051 0.000 0.450 284 G N 1.729 110.578 108.800 0.082 0.000 2.373 284 G HA2 -0.015 3.794 3.960 -0.232 0.000 0.250 284 G HA3 -0.015 3.895 3.960 -0.111 -0.017 0.250 284 G C -2.582 172.413 174.900 0.158 0.000 1.304 284 G CA 0.431 45.493 45.100 -0.064 0.000 0.948 284 G HN -0.282 8.094 8.290 0.145 0.000 0.474 285 H N -0.051 119.062 119.070 0.072 0.000 2.538 285 H HA 0.700 5.203 4.556 -0.088 0.000 0.353 285 H C -0.976 174.410 175.328 0.097 0.000 1.109 285 H CA -3.034 53.019 56.048 0.008 0.000 1.192 285 H CB 1.934 31.695 29.762 -0.001 0.000 1.555 285 H HN 0.163 8.254 8.280 -0.315 0.000 0.518 286 F N -0.048 120.024 119.950 0.205 0.000 2.588 286 F HA 0.495 5.085 4.527 0.105 0.000 0.310 286 F C -2.738 173.120 175.800 0.096 0.000 1.082 286 F CA -3.465 54.609 58.000 0.124 0.000 0.929 286 F CB 1.942 40.999 39.000 0.095 0.000 1.254 286 F HN -0.085 7.992 8.300 -0.372 0.000 0.455 287 P HA 0.091 4.569 4.420 0.098 0.000 0.267 287 P C -0.743 176.688 177.300 0.217 0.000 1.328 287 P CA -0.476 62.742 63.100 0.197 0.000 0.990 287 P CB -0.869 30.911 31.700 0.134 0.000 1.168 288 F N 6.327 126.215 119.950 -0.104 0.000 2.449 288 F HA -0.291 4.225 4.527 -0.019 0.000 0.299 288 F C -0.101 175.485 175.800 -0.357 0.000 1.092 288 F CA 2.214 59.975 58.000 -0.397 0.000 1.446 288 F CB -0.006 38.075 39.000 -1.531 0.000 1.084 288 F HN -0.140 8.179 8.300 0.031 0.000 0.567 289 T N -2.227 112.019 114.554 -0.513 0.000 3.155 289 T HA -0.196 3.676 4.350 -0.797 0.000 0.264 289 T C 0.321 174.636 174.700 -0.643 0.000 1.160 289 T CA 1.804 63.528 62.100 -0.627 0.000 1.075 289 T CB -0.820 67.789 68.868 -0.432 0.000 0.921 289 T HN -0.150 7.866 8.240 -0.233 0.085 0.533 290 H N 0.654 119.515 119.070 -0.349 0.000 2.665 290 H HA 0.377 4.787 4.556 -0.243 0.000 0.248 290 H C -2.253 172.906 175.328 -0.282 0.000 1.175 290 H CA -0.879 55.017 56.048 -0.254 0.000 0.952 290 H CB 1.175 30.846 29.762 -0.151 0.000 1.883 290 H HN -0.224 7.769 8.280 -0.297 0.109 0.623 291 V N -5.174 114.554 119.914 -0.311 0.000 3.159 291 V HA 0.618 4.626 4.120 -0.186 0.000 0.308 291 V C -1.626 174.303 176.094 -0.275 0.000 1.190 291 V CA -2.670 59.477 62.300 -0.255 0.000 1.037 291 V CB 3.206 34.902 31.823 -0.212 0.000 1.060 291 V HN -0.513 7.343 8.190 -0.557 0.000 0.437 292 R N 0.913 121.344 120.500 -0.116 0.000 2.637 292 R HA 0.351 4.679 4.340 -0.021 0.000 0.291 292 R C -1.406 174.944 176.300 0.083 0.000 0.963 292 R CA -2.444 53.642 56.100 -0.023 0.000 0.901 292 R CB 2.263 32.537 30.300 -0.043 0.000 1.160 292 R HN 0.406 8.610 8.270 -0.110 0.000 0.457 293 L N -1.927 119.431 121.223 0.226 0.000 2.334 293 L HA 0.340 4.785 4.340 0.175 0.000 0.273 293 L C -1.691 175.248 176.870 0.116 0.000 1.013 293 L CA -0.856 54.135 54.840 0.253 0.000 0.816 293 L CB 1.396 43.773 42.059 0.531 0.000 1.278 293 L HN 0.092 8.479 8.230 0.261 0.000 0.431 294 L N 0.534 121.782 121.223 0.042 0.000 2.424 294 L HA 0.366 4.781 4.340 0.125 0.000 0.258 294 L C -1.480 175.509 176.870 0.199 0.000 0.995 294 L CA -0.653 54.254 54.840 0.112 0.000 0.821 294 L CB 4.885 47.022 42.059 0.130 0.000 1.383 294 L HN -0.251 7.978 8.230 -0.002 0.000 0.410 295 D N -0.659 119.856 120.400 0.191 0.000 2.559 295 D HA 0.004 4.741 4.640 0.162 0.000 0.234 295 D C -0.373 176.020 176.300 0.155 0.000 1.226 295 D CA -1.342 52.752 54.000 0.156 0.000 0.830 295 D CB -0.331 40.523 40.800 0.092 0.000 1.028 295 D HN 0.410 8.880 8.370 0.167 0.000 0.492 296 Q N -4.467 115.473 119.800 0.232 0.000 2.439 296 Q HA -0.525 3.861 4.340 0.077 0.000 0.325 296 Q C -1.274 174.758 176.000 0.053 0.000 1.372 296 Q CA 1.268 57.125 55.803 0.090 0.000 0.909 296 Q CB -2.569 26.160 28.738 -0.016 0.000 1.167 296 Q HN 0.307 8.740 8.270 0.408 0.081 0.418 297 Q N -1.599 118.247 119.800 0.075 0.000 2.350 297 Q HA 0.161 4.520 4.340 0.032 0.000 0.255 297 Q C -1.580 174.451 176.000 0.052 0.000 0.951 297 Q CA -0.432 55.400 55.803 0.050 0.000 0.751 297 Q CB 2.209 30.976 28.738 0.047 0.000 1.296 297 Q HN -0.194 8.207 8.270 0.111 -0.064 0.453 298 N N 0.000 118.723 118.700 0.038 0.000 1.763 298 N HA 0.000 4.766 4.740 0.044 0.000 0.220 298 N CA 0.000 53.072 53.050 0.037 0.000 0.885 298 N CB 0.000 38.509 38.487 0.036 0.000 1.341 298 N HN 0.000 8.397 8.380 0.028 0.000 0.667