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 2ggr_1_A DATA FIRST_RESID 236 DATA SEQUENCE GPIYARVIQK RVPNAYDKTA LALEVGELVK VTKINVSGQW EGECNGKRGH DATA SEQUENCE FPFTHVRLLD QQN 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 236 G HA2 0.000 nan 3.960 nan 0.000 0.244 236 G HA3 0.000 3.925 3.960 -0.058 0.000 0.244 236 G C 0.000 174.826 174.900 -0.123 0.000 0.946 236 G CA 0.000 45.058 45.100 -0.070 0.000 0.502 237 P HA 0.579 5.061 4.420 -0.260 -0.218 0.293 237 P C -0.529 176.530 177.300 -0.402 0.000 1.313 237 P CA -1.377 61.555 63.100 -0.280 0.000 0.787 237 P CB 0.800 32.333 31.700 -0.279 0.000 0.910 238 I N -0.025 120.295 120.570 -0.417 0.000 2.834 238 I HA 0.179 4.324 4.170 -0.330 -0.172 0.305 238 I C -1.854 173.990 176.117 -0.456 0.000 1.008 238 I CA -2.353 58.712 61.300 -0.392 0.000 1.273 238 I CB 1.427 39.228 38.000 -0.332 0.000 1.432 238 I HN -0.326 7.623 8.210 -0.435 0.000 0.557 239 Y N 1.852 122.067 120.300 -0.141 0.000 2.353 239 Y HA 0.140 4.612 4.550 -0.130 0.000 0.340 239 Y C -1.404 174.417 175.900 -0.131 0.000 0.972 239 Y CA -1.096 56.931 58.100 -0.122 0.000 1.157 239 Y CB 0.732 39.144 38.460 -0.079 0.000 1.157 239 Y HN -0.487 7.753 8.280 -0.067 0.000 0.495 240 A N 4.211 127.034 122.820 0.004 0.000 2.273 240 A HA 0.366 4.648 4.320 -0.062 0.000 0.315 240 A C -2.006 175.559 177.584 -0.032 0.000 1.256 240 A CA -1.681 50.320 52.037 -0.060 0.000 0.851 240 A CB 1.684 20.604 19.000 -0.134 0.000 1.172 240 A HN 1.092 9.137 8.150 0.015 0.114 0.508 241 R N 7.105 127.585 120.500 -0.033 0.000 2.309 241 R HA 0.193 4.703 4.340 -0.037 -0.192 0.331 241 R C -0.851 175.417 176.300 -0.053 0.000 1.116 241 R CA -1.804 54.274 56.100 -0.038 0.000 0.970 241 R CB -0.241 30.041 30.300 -0.030 0.000 1.024 241 R HN 0.278 8.454 8.270 -0.030 0.076 0.472 242 V N 7.571 127.446 119.914 -0.066 0.000 2.427 242 V HA 0.045 4.122 4.120 -0.072 0.000 0.268 242 V C -1.273 174.766 176.094 -0.092 0.000 1.046 242 V CA -0.566 61.680 62.300 -0.090 0.000 0.970 242 V CB 1.648 33.387 31.823 -0.140 0.000 1.001 242 V HN 0.448 8.497 8.190 -0.063 0.104 0.476 243 I N 4.978 125.505 120.570 -0.072 0.000 3.928 243 I HA 0.315 4.451 4.170 -0.057 0.000 0.335 243 I C -0.549 175.523 176.117 -0.075 0.000 1.325 243 I CA -0.934 60.333 61.300 -0.054 0.000 1.107 243 I CB 0.365 38.356 38.000 -0.016 0.000 1.014 243 I HN -0.052 8.128 8.210 -0.051 0.000 0.400 244 Q N -1.309 118.395 119.800 -0.160 0.000 2.869 244 Q HA -0.027 4.212 4.340 -0.169 0.000 0.213 244 Q C -2.374 173.302 176.000 -0.539 0.000 0.762 244 Q CA 0.001 55.666 55.803 -0.230 0.000 1.065 244 Q CB 1.421 30.100 28.738 -0.099 0.000 1.594 244 Q HN -0.613 7.459 8.270 -0.199 0.078 0.503 245 K N 2.946 123.091 120.400 -0.425 0.000 2.533 245 K HA 0.242 4.129 4.320 -0.723 0.000 0.272 245 K C -1.448 174.980 176.600 -0.287 0.000 0.985 245 K CA -0.948 55.021 56.287 -0.530 0.000 0.876 245 K CB 2.946 35.083 32.500 -0.606 0.000 1.452 245 K HN -0.096 7.986 8.250 -0.280 0.000 0.439 246 R N 0.184 120.541 120.500 -0.237 0.000 2.843 246 R HA 0.494 4.785 4.340 -0.081 0.000 0.232 246 R C -1.364 174.902 176.300 -0.057 0.000 1.305 246 R CA -0.721 55.325 56.100 -0.090 0.000 1.096 246 R CB 1.482 31.781 30.300 -0.003 0.000 1.455 246 R HN 0.345 8.415 8.270 -0.335 0.000 0.520 247 V N -4.839 115.071 119.914 -0.006 0.000 2.205 247 V HA 0.438 4.559 4.120 0.002 0.000 0.263 247 V C -2.182 173.943 176.094 0.051 0.000 1.138 247 V CA -3.399 58.907 62.300 0.011 0.000 1.059 247 V CB -0.541 31.281 31.823 -0.002 0.000 1.232 247 V HN 0.194 8.386 8.190 0.003 0.000 0.469 248 P HA 0.207 4.785 4.420 0.097 -0.100 0.301 248 P C -1.413 175.963 177.300 0.127 0.000 1.348 248 P CA -1.543 61.634 63.100 0.128 0.000 0.826 248 P CB 1.143 32.969 31.700 0.210 0.000 0.945 249 N N 3.217 121.992 118.700 0.126 0.000 2.327 249 N HA -0.126 4.703 4.740 0.148 0.000 0.257 249 N C 1.342 176.968 175.510 0.193 0.000 1.281 249 N CA 0.313 53.471 53.050 0.181 0.000 0.942 249 N CB 1.088 39.715 38.487 0.233 0.000 1.199 249 N HN -0.303 8.244 8.380 0.108 -0.102 0.532 250 A N -2.494 120.444 122.820 0.196 0.000 2.259 250 A HA -0.145 4.187 4.320 0.020 0.000 0.212 250 A C 0.140 177.690 177.584 -0.056 0.000 1.178 250 A CA 2.349 54.405 52.037 0.031 0.000 0.734 250 A CB -0.114 18.850 19.000 -0.059 0.000 0.774 250 A HN 0.487 8.779 8.150 0.237 0.000 0.481 251 Y N -5.207 115.098 120.300 0.010 0.000 2.466 251 Y HA -0.033 4.524 4.550 0.011 0.000 0.272 251 Y C -0.128 175.774 175.900 0.003 0.000 1.169 251 Y CA -0.991 57.114 58.100 0.009 0.000 1.285 251 Y CB -0.229 38.238 38.460 0.010 0.000 1.078 251 Y HN -0.451 8.007 8.280 0.502 0.123 0.523 252 D N 1.072 121.547 120.400 0.124 0.000 3.072 252 D HA 0.070 4.750 4.640 0.067 0.000 0.250 252 D C -0.785 175.508 176.300 -0.013 0.000 1.304 252 D CA -0.487 53.542 54.000 0.049 0.000 0.861 252 D CB -0.843 39.976 40.800 0.032 0.000 1.062 252 D HN -0.310 7.948 8.370 0.121 0.185 0.481 253 K N -2.673 117.740 120.400 0.021 0.000 3.069 253 K HA -0.328 4.018 4.320 0.042 0.000 0.267 253 K C -0.971 175.659 176.600 0.051 0.000 1.082 253 K CA 0.664 56.979 56.287 0.045 0.000 0.782 253 K CB -2.794 29.755 32.500 0.081 0.000 1.230 253 K HN -0.242 7.956 8.250 0.043 0.078 0.488 254 T N -8.460 106.084 114.554 -0.016 0.000 2.626 254 T HA -0.506 3.821 4.350 -0.024 0.008 0.494 254 T C -1.986 172.613 174.700 -0.168 0.000 0.803 254 T CA 1.302 63.384 62.100 -0.030 0.000 2.618 254 T CB -1.659 67.228 68.868 0.032 0.000 1.693 254 T HN -0.572 7.652 8.240 -0.010 0.010 0.539 255 A N 3.012 125.747 122.820 -0.141 0.000 2.386 255 A HA 0.382 4.512 4.320 -0.442 -0.076 0.308 255 A C -1.567 176.102 177.584 0.142 0.000 1.128 255 A CA -2.558 49.367 52.037 -0.187 0.000 0.789 255 A CB 3.365 22.209 19.000 -0.260 0.000 1.325 255 A HN -0.284 7.842 8.150 -0.039 0.000 0.437 256 L N -0.260 121.224 121.223 0.435 0.000 2.313 256 L HA 0.024 4.474 4.340 0.184 0.000 0.282 256 L C -0.590 176.405 176.870 0.208 0.000 1.092 256 L CA -0.383 54.641 54.840 0.307 0.000 0.831 256 L CB -0.873 41.353 42.059 0.279 0.000 1.159 256 L HN 0.535 9.193 8.230 0.713 0.000 0.442 257 A N 6.884 129.769 122.820 0.108 0.000 2.666 257 A HA 0.033 4.450 4.320 0.053 -0.065 0.312 257 A C -1.593 175.986 177.584 -0.009 0.000 1.471 257 A CA -0.310 51.757 52.037 0.050 0.000 1.134 257 A CB -0.556 18.477 19.000 0.056 0.000 1.129 257 A HN 0.326 8.538 8.150 0.103 0.000 0.539 258 L N -3.712 117.467 121.223 -0.072 0.000 2.510 258 L HA 0.938 5.372 4.340 -0.066 -0.133 0.252 258 L C -1.869 174.912 176.870 -0.148 0.000 1.091 258 L CA -2.055 52.724 54.840 -0.101 0.000 0.888 258 L CB 3.069 45.064 42.059 -0.107 0.000 1.507 258 L HN -0.554 7.613 8.230 -0.104 0.000 0.407 259 E N -2.066 118.053 120.200 -0.134 0.000 2.446 259 E HA 0.334 4.795 4.350 -0.155 -0.203 0.276 259 E C -1.557 174.966 176.600 -0.129 0.000 0.969 259 E CA -2.663 53.659 56.400 -0.129 0.000 0.800 259 E CB 3.940 33.589 29.700 -0.084 0.000 1.341 259 E HN -0.254 8.153 8.360 -0.117 -0.116 0.460 260 V N 3.170 123.013 119.914 -0.117 0.000 2.475 260 V HA -0.534 3.644 4.120 -0.109 -0.124 0.292 260 V C 0.530 176.582 176.094 -0.070 0.000 1.003 260 V CA 1.768 64.012 62.300 -0.094 0.000 1.120 260 V CB -0.339 31.439 31.823 -0.074 0.000 0.937 260 V HN 0.508 8.630 8.190 -0.113 0.000 0.476 261 G N 7.239 116.000 108.800 -0.065 0.000 2.184 261 G HA2 -0.339 3.594 3.960 -0.044 0.000 0.206 261 G HA3 -0.339 3.593 3.960 -0.046 0.000 0.206 261 G C -0.890 173.978 174.900 -0.054 0.000 0.995 261 G CA -0.361 44.709 45.100 -0.051 0.000 0.651 261 G HN 1.344 9.465 8.290 -0.073 0.125 0.511 262 E N 0.155 120.317 120.200 -0.064 0.000 2.700 262 E HA 0.359 4.677 4.350 -0.052 0.000 0.253 262 E C -2.208 174.359 176.600 -0.054 0.000 1.175 262 E CA -1.190 55.174 56.400 -0.059 0.000 1.010 262 E CB 1.967 31.628 29.700 -0.064 0.000 1.284 262 E HN -0.407 7.856 8.360 -0.077 0.051 0.557 263 L N -0.055 121.143 121.223 -0.042 0.000 2.406 263 L HA 0.624 5.158 4.340 -0.021 -0.206 0.272 263 L C -2.470 174.403 176.870 0.006 0.000 0.980 263 L CA -0.965 53.864 54.840 -0.019 0.000 0.831 263 L CB 2.419 44.459 42.059 -0.032 0.000 1.253 263 L HN 0.441 8.647 8.230 -0.040 0.000 0.406 264 V N 6.425 126.343 119.914 0.006 0.000 2.417 264 V HA 0.341 4.473 4.120 0.020 0.000 0.291 264 V C -2.602 173.492 176.094 0.000 0.000 1.024 264 V CA -2.116 60.188 62.300 0.006 0.000 0.861 264 V CB 2.899 34.715 31.823 -0.013 0.000 0.985 264 V HN 1.140 9.220 8.190 -0.008 0.106 0.436 265 K N 10.407 130.813 120.400 0.009 0.000 2.257 265 K HA 0.372 4.796 4.320 -0.165 -0.204 0.270 265 K C -0.720 175.774 176.600 -0.176 0.000 1.098 265 K CA -2.305 53.922 56.287 -0.100 0.000 0.943 265 K CB 0.111 32.588 32.500 -0.039 0.000 1.316 265 K HN 0.358 8.626 8.250 0.030 0.000 0.447 266 V N 9.311 129.055 119.914 -0.283 0.000 2.421 266 V HA -0.110 4.001 4.120 -0.169 -0.092 0.271 266 V C -0.355 175.592 176.094 -0.247 0.000 1.031 266 V CA 0.760 62.881 62.300 -0.298 0.000 1.032 266 V CB -1.229 30.214 31.823 -0.634 0.000 1.009 266 V HN 0.171 8.153 8.190 -0.347 0.000 0.477 267 T N 7.631 122.107 114.554 -0.129 0.000 3.081 267 T HA -0.035 4.238 4.350 -0.129 0.000 0.250 267 T C -0.309 174.365 174.700 -0.043 0.000 1.100 267 T CA 0.247 62.291 62.100 -0.092 0.000 1.038 267 T CB 0.134 68.970 68.868 -0.054 0.000 0.962 267 T HN 0.125 8.316 8.240 -0.082 0.000 0.516 268 K N 2.922 123.319 120.400 -0.006 0.000 2.572 268 K HA 0.289 4.633 4.320 0.042 0.000 0.244 268 K C -2.067 174.623 176.600 0.150 0.000 0.965 268 K CA -1.524 54.800 56.287 0.062 0.000 0.943 268 K CB 0.826 33.377 32.500 0.084 0.000 1.154 268 K HN -0.687 7.511 8.250 -0.015 0.043 0.447 269 I N 0.318 120.978 120.570 0.150 0.000 2.783 269 I HA 0.153 4.647 4.170 0.541 0.000 0.312 269 I C -1.037 175.317 176.117 0.394 0.000 0.988 269 I CA -2.262 59.239 61.300 0.335 0.000 1.182 269 I CB 1.662 39.755 38.000 0.155 0.000 1.368 269 I HN 0.069 8.332 8.210 0.088 0.000 0.511 270 N N 1.457 120.507 118.700 0.582 0.000 3.418 270 N HA 0.021 4.861 4.740 0.168 0.000 0.316 270 N C -1.102 174.493 175.510 0.141 0.000 1.601 270 N CA -0.838 52.348 53.050 0.227 0.000 0.805 270 N CB 1.816 40.349 38.487 0.078 0.000 1.873 270 N HN -0.493 8.594 8.380 1.177 0.000 0.615 271 V N -1.876 118.031 119.914 -0.012 0.000 2.795 271 V HA 0.075 4.204 4.120 0.015 0.000 0.243 271 V C 0.559 176.528 176.094 -0.208 0.000 1.069 271 V CA 0.861 63.127 62.300 -0.057 0.000 1.089 271 V CB 0.905 32.702 31.823 -0.044 0.000 0.756 271 V HN 0.086 8.260 8.190 -0.028 0.000 0.471 272 S N -0.161 115.382 115.700 -0.262 0.000 2.371 272 S HA -0.088 4.215 4.470 -0.279 0.000 0.224 272 S C 0.227 174.530 174.600 -0.494 0.000 1.029 272 S CA 1.528 59.539 58.200 -0.316 0.000 0.978 272 S CB 0.734 63.797 63.200 -0.229 0.000 0.833 272 S HN 0.058 8.398 8.310 -0.210 -0.156 0.466 273 G N -1.999 106.342 108.800 -0.764 0.000 2.227 273 G HA2 -0.216 2.500 3.960 -2.072 0.000 0.168 273 G HA3 -0.216 3.516 3.960 -0.379 0.000 0.168 273 G C -1.201 173.065 174.900 -1.056 0.000 1.006 273 G CA -0.355 44.109 45.100 -1.059 0.000 0.684 273 G HN -0.070 8.197 8.290 -0.743 -0.422 0.489 274 Q N 1.750 121.187 119.800 -0.604 0.000 2.681 274 Q HA 0.158 4.544 4.340 -0.168 -0.147 0.222 274 Q C -0.223 175.706 176.000 -0.119 0.000 1.258 274 Q CA -0.467 55.176 55.803 -0.267 0.000 1.014 274 Q CB -0.757 27.906 28.738 -0.126 0.000 1.384 274 Q HN -0.735 7.361 8.270 -0.496 -0.123 0.570 275 W N 0.977 122.359 121.300 0.136 0.000 2.869 275 W HA 0.332 5.039 4.660 0.077 0.000 0.345 275 W C -2.120 174.480 176.519 0.135 0.000 1.191 275 W CA -3.150 54.261 57.345 0.110 0.000 1.104 275 W CB 0.764 30.286 29.460 0.103 0.000 1.471 275 W HN -0.018 8.137 8.180 -0.042 0.000 0.612 276 E N -0.099 120.334 120.200 0.389 0.000 2.134 276 E HA 0.402 5.042 4.350 0.327 -0.094 0.278 276 E C -0.494 176.214 176.600 0.180 0.000 0.959 276 E CA -0.983 55.578 56.400 0.269 0.000 0.783 276 E CB 1.839 31.643 29.700 0.175 0.000 1.095 276 E HN -0.096 8.482 8.360 0.364 0.000 0.399 277 G N 2.150 111.059 108.800 0.181 0.000 2.417 277 G HA2 0.363 4.325 3.960 0.003 0.000 0.334 277 G HA3 0.363 4.399 3.960 0.127 0.000 0.334 277 G C -2.767 172.175 174.900 0.069 0.000 1.150 277 G CA -1.600 43.555 45.100 0.092 0.000 0.923 277 G HN 0.307 8.623 8.290 0.232 0.112 0.485 278 E N 1.665 121.877 120.200 0.021 0.000 2.244 278 E HA 0.782 5.409 4.350 0.045 -0.251 0.260 278 E C -1.851 174.764 176.600 0.025 0.000 0.884 278 E CA -1.916 54.499 56.400 0.026 0.000 0.777 278 E CB 4.028 33.733 29.700 0.008 0.000 1.197 278 E HN -0.032 8.195 8.360 -0.019 0.121 0.416 279 C N 8.089 127.411 119.300 0.036 0.000 2.301 279 C HA 0.402 4.885 4.460 0.038 0.000 0.313 279 C C -0.815 174.193 174.990 0.031 0.000 1.121 279 C CA -2.128 56.910 59.018 0.033 0.000 1.507 279 C CB 1.095 28.849 27.740 0.023 0.000 1.975 279 C HN 0.921 9.064 8.230 0.043 0.113 0.425 280 N N 7.769 126.490 118.700 0.035 0.000 2.759 280 N HA -0.376 4.383 4.740 0.032 0.000 0.277 280 N C -0.384 175.140 175.510 0.024 0.000 0.982 280 N CA 0.844 53.911 53.050 0.029 0.000 0.833 280 N CB -1.594 36.906 38.487 0.022 0.000 0.927 280 N HN 0.797 9.204 8.380 0.045 0.000 0.573 281 G N -6.170 102.646 108.800 0.027 0.000 2.316 281 G HA2 -0.355 3.620 3.960 0.025 0.000 0.203 281 G HA3 -0.355 3.621 3.960 0.026 0.000 0.203 281 G C -0.715 174.205 174.900 0.034 0.000 0.999 281 G CA -0.399 44.718 45.100 0.027 0.000 0.649 281 G HN -0.002 8.304 8.290 0.027 0.000 0.489 282 K N 3.385 123.809 120.400 0.039 0.000 2.183 282 K HA 0.237 4.588 4.320 0.053 0.000 0.274 282 K C -1.194 175.438 176.600 0.054 0.000 1.009 282 K CA -0.561 55.756 56.287 0.051 0.000 0.888 282 K CB 0.714 33.248 32.500 0.058 0.000 1.078 282 K HN 0.069 8.151 8.250 0.035 0.189 0.459 283 R N 2.761 123.293 120.500 0.054 0.000 2.670 283 R HA 0.839 5.401 4.340 0.063 -0.185 0.289 283 R C -0.946 175.396 176.300 0.069 0.000 0.965 283 R CA -1.387 54.747 56.100 0.058 0.000 0.899 283 R CB 4.111 34.435 30.300 0.040 0.000 1.173 283 R HN 0.548 8.848 8.270 0.050 0.000 0.456 284 G N 0.602 109.459 108.800 0.096 0.000 2.435 284 G HA2 0.331 4.400 3.960 0.106 0.000 0.228 284 G HA3 0.331 4.174 3.960 0.017 0.127 0.228 284 G C -3.049 171.950 174.900 0.165 0.000 1.198 284 G CA 0.866 46.017 45.100 0.084 0.000 0.948 284 G HN 0.321 8.675 8.290 0.107 0.000 0.487 285 H N -2.089 116.993 119.070 0.021 0.000 2.996 285 H HA 0.703 5.482 4.556 0.171 -0.121 0.368 285 H C -2.008 173.269 175.328 -0.085 0.000 1.185 285 H CA -1.395 54.678 56.048 0.042 0.000 1.160 285 H CB 2.893 32.650 29.762 -0.008 0.000 1.820 285 H HN -0.352 7.665 8.280 -0.438 0.000 0.547 286 F N -1.406 118.707 119.950 0.271 0.000 2.741 286 F HA 0.292 4.926 4.527 0.178 0.000 0.311 286 F C -3.083 172.852 175.800 0.225 0.000 1.149 286 F CA -1.333 56.802 58.000 0.225 0.000 0.930 286 F CB 4.187 43.323 39.000 0.226 0.000 1.312 286 F HN 0.607 9.191 8.300 0.474 0.000 0.450 287 P HA 0.450 5.024 4.420 0.034 -0.134 0.285 287 P C -0.567 176.824 177.300 0.151 0.000 1.285 287 P CA -1.542 61.638 63.100 0.132 0.000 0.854 287 P CB 1.463 33.174 31.700 0.019 0.000 1.180 288 F N 0.556 120.461 119.950 -0.075 0.000 2.558 288 F HA -0.179 4.477 4.527 0.214 0.000 0.298 288 F C 0.985 176.787 175.800 0.003 0.000 1.119 288 F CA 2.453 60.465 58.000 0.020 0.000 1.451 288 F CB -0.017 38.919 39.000 -0.108 0.000 1.091 288 F HN 0.229 8.583 8.300 0.090 0.000 0.563 289 T N -3.208 111.394 114.554 0.080 0.000 2.721 289 T HA -0.419 3.982 4.350 0.085 0.000 0.268 289 T C 0.068 174.781 174.700 0.022 0.000 1.038 289 T CA 2.949 65.040 62.100 -0.015 0.000 1.145 289 T CB -0.464 68.284 68.868 -0.201 0.000 0.858 289 T HN -0.061 8.125 8.240 0.013 0.061 0.459 290 H N -2.622 116.488 119.070 0.067 0.000 2.674 290 H HA 0.359 4.928 4.556 0.021 0.000 0.235 290 H C -2.038 173.262 175.328 -0.047 0.000 1.330 290 H CA -2.494 53.560 56.048 0.009 0.000 1.052 290 H CB -0.562 29.197 29.762 -0.005 0.000 1.954 290 H HN -0.697 7.465 8.280 -0.147 0.030 0.566 291 V N -2.990 116.961 119.914 0.062 0.000 3.049 291 V HA 0.412 4.609 4.120 -0.030 -0.095 0.309 291 V C -1.767 174.225 176.094 -0.169 0.000 1.148 291 V CA -2.244 60.016 62.300 -0.067 0.000 0.990 291 V CB 3.504 35.273 31.823 -0.090 0.000 1.039 291 V HN -0.565 7.637 8.190 0.020 0.000 0.430 292 R N 2.500 122.933 120.500 -0.112 0.000 2.422 292 R HA 0.410 4.703 4.340 -0.079 0.000 0.307 292 R C -1.576 174.688 176.300 -0.060 0.000 1.004 292 R CA -2.288 53.770 56.100 -0.070 0.000 0.882 292 R CB 0.975 31.271 30.300 -0.006 0.000 1.164 292 R HN 0.774 8.880 8.270 -0.082 0.115 0.489 293 L N 0.540 121.729 121.223 -0.057 0.000 2.346 293 L HA 0.619 5.027 4.340 -0.032 -0.087 0.274 293 L C -0.460 176.430 176.870 0.033 0.000 1.007 293 L CA -1.038 53.782 54.840 -0.033 0.000 0.818 293 L CB 1.674 43.677 42.059 -0.093 0.000 1.284 293 L HN 0.050 8.258 8.230 -0.037 0.000 0.424 294 L N -0.196 121.053 121.223 0.043 0.000 2.469 294 L HA 0.215 4.592 4.340 0.062 0.000 0.253 294 L C 0.377 177.279 176.870 0.053 0.000 1.143 294 L CA -0.242 54.637 54.840 0.066 0.000 0.804 294 L CB 1.037 43.151 42.059 0.091 0.000 1.214 294 L HN 0.711 8.968 8.230 0.045 0.000 0.476 295 D N -1.594 118.840 120.400 0.057 0.000 2.377 295 D HA -0.012 4.646 4.640 0.029 0.000 0.245 295 D C 0.579 176.866 176.300 -0.021 0.000 1.196 295 D CA 0.422 54.439 54.000 0.028 0.000 0.962 295 D CB 1.366 42.190 40.800 0.039 0.000 1.127 295 D HN 0.037 8.448 8.370 0.069 0.000 0.471 296 Q N -1.838 117.932 119.800 -0.049 0.000 2.319 296 Q HA 0.004 4.357 4.340 -0.190 -0.127 0.209 296 Q C 0.238 176.196 176.000 -0.070 0.000 0.884 296 Q CA 1.065 56.802 55.803 -0.111 0.000 0.938 296 Q CB 0.517 29.185 28.738 -0.117 0.000 1.098 296 Q HN 0.294 8.553 8.270 -0.018 0.000 0.517 297 Q N -2.687 117.100 119.800 -0.023 0.000 2.403 297 Q HA -0.036 4.294 4.340 -0.017 0.000 0.203 297 Q C -0.369 175.637 176.000 0.010 0.000 0.932 297 Q CA 0.598 56.397 55.803 -0.007 0.000 0.945 297 Q CB 0.232 28.974 28.738 0.007 0.000 1.045 297 Q HN -0.160 8.390 8.270 -0.008 -0.285 0.511 298 N N 0.000 118.716 118.700 0.026 0.000 1.763 298 N HA 0.000 4.777 4.740 0.062 0.000 0.220 298 N CA 0.000 53.097 53.050 0.079 0.000 0.885 298 N CB 0.000 38.540 38.487 0.088 0.000 1.341 298 N HN 0.000 8.306 8.380 0.008 0.079 0.667