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 1ykt_1_B DATA FIRST_RESID 1 DATA SEQUENCE RPDFcLEPPY TGPcKARIIR YFYNAKAGLc QTFVYGGcRA KRNNFKSAED DATA SEQUENCE cMRTcG 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 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.161 176.300 -0.231 0.000 0.893 1 R CA 0.000 55.986 56.100 -0.190 0.000 0.921 1 R CB 0.000 30.148 30.300 -0.253 0.000 0.687 2 P HA 0.031 nan 4.420 nan 0.000 0.266 2 P C 0.033 177.027 177.300 -0.509 0.000 1.195 2 P CA -0.010 62.792 63.100 -0.497 0.000 0.768 2 P CB 0.545 31.700 31.700 -0.908 0.000 0.838 3 D N 2.296 122.509 120.400 -0.313 0.000 2.144 3 D HA -0.215 4.425 4.640 -0.000 0.000 0.199 3 D C 1.480 177.718 176.300 -0.102 0.000 0.984 3 D CA 1.344 55.254 54.000 -0.149 0.000 0.834 3 D CB -0.713 40.066 40.800 -0.035 0.000 0.955 3 D HN 0.508 nan 8.370 nan 0.000 0.465 4 F N 0.819 120.788 119.950 0.032 0.000 2.408 4 F HA 0.049 4.576 4.527 -0.000 0.000 0.300 4 F C 2.092 177.948 175.800 0.092 0.000 1.090 4 F CA -0.418 57.606 58.000 0.040 0.000 1.427 4 F CB -1.301 37.710 39.000 0.019 0.000 1.070 4 F HN -0.012 nan 8.300 nan 0.000 0.549 5 c N 1.203 119.705 118.600 -0.163 0.000 2.456 5 c HA 0.057 4.627 4.570 -0.000 0.000 0.279 5 c C 2.572 176.793 174.090 0.218 0.000 1.427 5 c CA 0.445 56.818 56.329 0.074 0.000 1.778 5 c CB -1.458 40.922 42.510 -0.217 0.000 1.842 5 c HN 0.588 nan 8.230 nan 0.000 0.531 6 L N -0.018 121.274 121.223 0.116 0.000 2.567 6 L HA 0.126 4.466 4.340 -0.000 0.000 0.225 6 L C 0.738 177.684 176.870 0.127 0.000 1.119 6 L CA 0.439 55.358 54.840 0.131 0.000 0.871 6 L CB -0.388 41.710 42.059 0.065 0.000 1.036 6 L HN 0.275 nan 8.230 nan 0.000 0.459 7 E N 2.144 122.429 120.200 0.142 0.000 2.354 7 E HA 0.223 4.573 4.350 -0.000 0.000 0.269 7 E C -2.081 174.583 176.600 0.106 0.000 1.036 7 E CA -1.938 54.526 56.400 0.107 0.000 0.876 7 E CB 0.525 30.284 29.700 0.100 0.000 1.009 7 E HN -0.024 nan 8.360 nan 0.000 0.416 8 P HA 0.145 nan 4.420 nan 0.000 0.272 8 P C -2.409 174.799 177.300 -0.152 0.000 1.230 8 P CA -1.208 61.879 63.100 -0.022 0.000 0.788 8 P CB -0.365 31.319 31.700 -0.026 0.000 0.949 9 P HA 0.000 nan 4.420 nan 0.000 0.265 9 P C -1.118 175.949 177.300 -0.387 0.000 1.193 9 P CA 0.369 62.944 63.100 -0.876 0.000 0.765 9 P CB 0.136 30.663 31.700 -1.957 0.000 0.823 10 Y N 2.209 122.315 120.300 -0.323 0.000 2.402 10 Y HA 0.210 4.760 4.550 0.000 0.000 0.332 10 Y C 1.391 177.433 175.900 0.236 0.000 0.960 10 Y CA -0.016 58.069 58.100 -0.026 0.000 1.228 10 Y CB 0.918 39.382 38.460 0.007 0.000 1.120 10 Y HN 0.294 nan 8.280 nan 0.000 0.491 11 T N 3.922 118.412 114.554 -0.108 0.000 2.821 11 T HA 0.215 4.565 4.350 -0.000 0.000 0.267 11 T C 0.716 175.263 174.700 -0.254 0.000 1.046 11 T CA 1.481 63.577 62.100 -0.007 0.000 1.139 11 T CB -0.764 68.068 68.868 -0.060 0.000 0.871 11 T HN 1.150 nan 8.240 nan 0.000 0.454 12 G N 1.293 109.594 108.800 -0.831 0.000 2.712 12 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.683 12 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.683 12 G C -2.032 172.675 174.900 -0.321 0.000 1.320 12 G CA -0.303 44.403 45.100 -0.657 0.000 0.847 12 G HN 0.140 nan 8.290 nan 0.000 0.553 13 P HA 0.136 nan 4.420 nan 0.000 0.227 13 P C 1.072 178.306 177.300 -0.110 0.000 1.161 13 P CA 0.755 63.797 63.100 -0.098 0.000 0.788 13 P CB 0.085 31.769 31.700 -0.027 0.000 0.822 14 c N 1.190 119.701 118.600 -0.147 0.000 2.657 14 c HA 0.174 4.744 4.570 -0.000 0.000 0.404 14 c C 1.631 175.618 174.090 -0.171 0.000 1.291 14 c CA -0.088 56.146 56.329 -0.157 0.000 2.218 14 c CB -0.146 42.246 42.510 -0.196 0.000 2.687 14 c HN 0.216 nan 8.230 nan 0.000 0.634 15 K N 1.083 121.401 120.400 -0.136 0.000 2.576 15 K HA 0.319 4.639 4.320 -0.000 0.000 0.209 15 K C 0.435 176.962 176.600 -0.122 0.000 1.049 15 K CA -0.106 56.109 56.287 -0.120 0.000 1.140 15 K CB 0.327 32.776 32.500 -0.085 0.000 0.871 15 K HN 0.740 nan 8.250 nan 0.000 0.479 16 A N 1.380 124.106 122.820 -0.158 0.000 2.259 16 A HA 0.360 4.680 4.320 -0.000 0.000 0.278 16 A C -0.052 177.445 177.584 -0.145 0.000 1.107 16 A CA -0.374 51.579 52.037 -0.140 0.000 0.828 16 A CB 0.491 19.397 19.000 -0.158 0.000 1.111 16 A HN 0.231 nan 8.150 nan 0.000 0.498 17 R N 0.845 121.277 120.500 -0.115 0.000 2.415 17 R HA 0.471 4.811 4.340 -0.000 0.000 0.292 17 R C -1.863 174.377 176.300 -0.100 0.000 1.295 17 R CA -0.052 55.984 56.100 -0.105 0.000 1.137 17 R CB -0.034 30.220 30.300 -0.076 0.000 1.135 17 R HN 0.667 nan 8.270 nan 0.000 0.560 18 I N 5.539 126.037 120.570 -0.119 0.000 2.389 18 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 18 I C 0.470 176.505 176.117 -0.136 0.000 0.999 18 I CA -0.820 60.430 61.300 -0.083 0.000 1.129 18 I CB 2.176 40.168 38.000 -0.014 0.000 1.288 18 I HN 0.326 nan 8.210 nan 0.000 0.444 19 I N 6.707 127.192 120.570 -0.142 0.000 2.452 19 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 19 I C 0.308 176.267 176.117 -0.264 0.000 1.079 19 I CA -0.086 61.078 61.300 -0.226 0.000 1.387 19 I CB 0.083 37.976 38.000 -0.178 0.000 1.404 19 I HN 0.482 nan 8.210 nan 0.000 0.522 20 R N 5.000 125.245 120.500 -0.425 0.000 2.888 20 R HA 0.532 4.872 4.340 -0.000 0.000 0.264 20 R C -1.369 174.890 176.300 -0.069 0.000 1.045 20 R CA -1.129 54.818 56.100 -0.256 0.000 0.962 20 R CB 1.789 31.901 30.300 -0.314 0.000 1.210 20 R HN 0.318 nan 8.270 nan 0.000 0.479 21 Y N 0.715 121.247 120.300 0.388 0.000 2.420 21 Y HA 0.490 5.040 4.550 -0.000 0.000 0.334 21 Y C 0.194 176.580 175.900 0.810 0.000 1.094 21 Y CA -0.534 57.884 58.100 0.531 0.000 1.126 21 Y CB 1.232 39.891 38.460 0.331 0.000 1.217 21 Y HN 0.465 nan 8.280 nan 0.000 0.462 22 F N 0.334 120.658 119.950 0.623 0.000 2.626 22 F HA 0.534 5.061 4.527 -0.000 0.000 0.311 22 F C -1.987 174.035 175.800 0.370 0.000 1.088 22 F CA -2.120 56.165 58.000 0.474 0.000 0.949 22 F CB 0.778 39.817 39.000 0.065 0.000 1.322 22 F HN 0.376 nan 8.300 nan 0.000 0.461 23 Y N 3.184 123.545 120.300 0.101 0.000 2.365 23 Y HA 0.363 4.913 4.550 0.000 0.000 0.340 23 Y C -0.193 175.582 175.900 -0.208 0.000 1.016 23 Y CA -0.505 57.520 58.100 -0.125 0.000 1.196 23 Y CB 0.456 38.932 38.460 0.027 0.000 1.167 23 Y HN 0.761 nan 8.280 nan 0.000 0.509 24 N N 5.237 123.389 118.700 -0.913 0.000 2.558 24 N HA 0.195 4.935 4.740 -0.000 0.000 0.233 24 N C 0.521 175.642 175.510 -0.648 0.000 1.038 24 N CA 0.505 53.215 53.050 -0.567 0.000 0.934 24 N CB 1.076 39.267 38.487 -0.494 0.000 1.175 24 N HN 0.920 nan 8.380 nan 0.000 0.512 25 A N 4.323 126.930 122.820 -0.354 0.000 1.908 25 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 25 A C 2.086 179.596 177.584 -0.125 0.000 1.181 25 A CA 1.488 53.425 52.037 -0.166 0.000 0.627 25 A CB -0.401 18.656 19.000 0.095 0.000 0.818 25 A HN 0.733 nan 8.150 nan 0.000 0.445 26 K N -0.548 119.803 120.400 -0.080 0.000 2.074 26 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 26 K C 1.799 178.354 176.600 -0.075 0.000 1.048 26 K CA 1.519 57.778 56.287 -0.047 0.000 0.926 26 K CB -0.269 32.222 32.500 -0.015 0.000 0.713 26 K HN 0.415 nan 8.250 nan 0.000 0.444 27 A N -0.345 122.395 122.820 -0.132 0.000 2.220 27 A HA 0.249 4.569 4.320 -0.000 0.000 0.211 27 A C 1.164 178.647 177.584 -0.167 0.000 1.176 27 A CA 0.679 52.640 52.037 -0.128 0.000 0.834 27 A CB 0.046 18.970 19.000 -0.126 0.000 0.868 27 A HN 0.511 nan 8.150 nan 0.000 0.488 28 G N -1.191 107.449 108.800 -0.266 0.000 2.221 28 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.265 28 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.265 28 G C -0.274 174.470 174.900 -0.261 0.000 1.041 28 G CA 0.794 45.754 45.100 -0.234 0.000 0.807 28 G HN 1.286 nan 8.290 nan 0.000 0.502 29 L N -1.454 119.476 121.223 -0.489 0.000 2.568 29 L HA 0.778 5.118 4.340 -0.000 0.000 0.257 29 L C -0.263 176.370 176.870 -0.395 0.000 1.024 29 L CA -0.974 53.693 54.840 -0.288 0.000 0.854 29 L CB 1.520 43.485 42.059 -0.157 0.000 1.460 29 L HN 0.238 nan 8.230 nan 0.000 0.409 30 c N 1.921 120.420 118.600 -0.168 0.000 2.435 30 c HA 0.728 5.298 4.570 -0.000 0.000 0.375 30 c C 0.084 174.122 174.090 -0.087 0.000 1.281 30 c CA -0.310 55.932 56.329 -0.144 0.000 1.963 30 c CB 0.268 42.762 42.510 -0.027 0.000 2.490 30 c HN 0.759 nan 8.230 nan 0.000 0.557 31 Q N 0.632 120.315 119.800 -0.195 0.000 2.668 31 Q HA 0.622 4.962 4.340 -0.000 0.000 0.298 31 Q C -0.422 175.762 176.000 0.305 0.000 1.071 31 Q CA -0.648 55.177 55.803 0.037 0.000 0.789 31 Q CB 1.884 30.587 28.738 -0.059 0.000 1.497 31 Q HN 0.770 nan 8.270 nan 0.000 0.460 32 T N -1.315 113.409 114.554 0.283 0.000 2.943 32 T HA 0.785 5.135 4.350 -0.000 0.000 0.284 32 T C -0.593 174.381 174.700 0.457 0.000 1.015 32 T CA -0.567 61.655 62.100 0.203 0.000 1.042 32 T CB 0.638 69.422 68.868 -0.139 0.000 1.055 32 T HN 0.503 nan 8.240 nan 0.000 0.500 33 F N -1.056 118.953 119.950 0.099 0.000 2.711 33 F HA 0.720 5.247 4.527 -0.000 0.000 0.313 33 F C -1.773 174.024 175.800 -0.005 0.000 1.141 33 F CA -1.831 56.173 58.000 0.008 0.000 0.941 33 F CB 0.699 39.595 39.000 -0.172 0.000 1.349 33 F HN 0.435 nan 8.300 nan 0.000 0.464 34 V N 3.094 122.930 119.914 -0.130 0.000 2.385 34 V HA 0.183 4.303 4.120 -0.000 0.000 0.269 34 V C -0.908 175.037 176.094 -0.248 0.000 1.043 34 V CA -0.415 61.749 62.300 -0.226 0.000 0.906 34 V CB 0.292 32.067 31.823 -0.080 0.000 0.995 34 V HN 0.728 nan 8.190 nan 0.000 0.467 35 Y N 3.810 123.783 120.300 -0.546 0.000 2.323 35 Y HA 0.586 5.136 4.550 -0.000 0.000 0.331 35 Y C 1.236 177.029 175.900 -0.177 0.000 1.092 35 Y CA -0.749 57.148 58.100 -0.338 0.000 1.150 35 Y CB 1.827 40.055 38.460 -0.387 0.000 1.200 35 Y HN 0.597 nan 8.280 nan 0.000 0.472 36 G N 2.171 110.646 108.800 -0.542 0.000 2.484 36 G HA2 0.237 4.197 3.960 -0.000 0.000 0.218 36 G HA3 0.237 4.197 3.960 -0.000 0.000 0.218 36 G C 1.025 175.513 174.900 -0.686 0.000 1.130 36 G CA 0.501 45.288 45.100 -0.521 0.000 0.784 36 G HN 1.655 nan 8.290 nan 0.000 0.543 37 G N -1.987 105.985 108.800 -1.380 0.000 2.255 37 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.196 37 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.196 37 G C 0.326 174.942 174.900 -0.473 0.000 0.998 37 G CA 0.326 44.946 45.100 -0.799 0.000 0.656 37 G HN 1.562 nan 8.290 nan 0.000 0.490 38 c N -2.044 116.291 118.600 -0.440 0.000 3.239 38 c HA 0.830 5.400 4.570 -0.000 0.000 0.317 38 c C 0.752 174.960 174.090 0.197 0.000 1.310 38 c CA -0.281 56.049 56.329 0.001 0.000 1.371 38 c CB 1.257 43.749 42.510 -0.029 0.000 1.714 38 c HN 1.104 nan 8.230 nan 0.000 0.473 39 R N 0.018 120.652 120.500 0.223 0.000 3.333 39 R HA -0.074 4.266 4.340 -0.000 0.000 0.256 39 R C 0.431 176.953 176.300 0.369 0.000 1.010 39 R CA 0.824 57.069 56.100 0.243 0.000 0.680 39 R CB -1.900 28.537 30.300 0.229 0.000 1.102 39 R HN 1.410 nan 8.270 nan 0.000 0.440 40 A N 1.061 124.082 122.820 0.335 0.000 2.425 40 A HA 0.320 4.640 4.320 -0.000 0.000 0.242 40 A C 0.595 178.208 177.584 0.048 0.000 1.077 40 A CA 0.141 52.290 52.037 0.186 0.000 0.781 40 A CB 0.490 19.352 19.000 -0.230 0.000 1.020 40 A HN 0.319 nan 8.150 nan 0.000 0.494 41 K N 0.094 120.506 120.400 0.020 0.000 2.177 41 K HA 0.341 4.661 4.320 -0.000 0.000 0.238 41 K C 1.001 177.472 176.600 -0.215 0.000 1.015 41 K CA -0.777 55.443 56.287 -0.112 0.000 0.922 41 K CB 0.880 33.307 32.500 -0.122 0.000 1.127 41 K HN 0.659 nan 8.250 nan 0.000 0.469 42 R N 0.503 120.812 120.500 -0.318 0.000 2.148 42 R HA -0.094 4.246 4.340 -0.000 0.000 0.227 42 R C 0.759 176.744 176.300 -0.525 0.000 1.103 42 R CA 0.834 56.575 56.100 -0.598 0.000 0.983 42 R CB -0.211 29.390 30.300 -1.166 0.000 0.874 42 R HN 0.358 nan 8.270 nan 0.000 0.451 43 N N 1.798 120.423 118.700 -0.125 0.000 3.254 43 N HA -0.039 4.701 4.740 -0.000 0.000 0.308 43 N C -1.382 174.128 175.510 0.000 0.000 1.281 43 N CA 0.088 53.219 53.050 0.135 0.000 1.212 43 N CB -0.292 38.403 38.487 0.347 0.000 1.478 43 N HN 0.080 nan 8.380 nan 0.000 0.548 44 N N 1.953 120.397 118.700 -0.425 0.000 2.542 44 N HA 0.216 4.956 4.740 -0.000 0.000 0.288 44 N C -1.890 173.322 175.510 -0.498 0.000 1.115 44 N CA -0.227 52.730 53.050 -0.157 0.000 0.924 44 N CB 0.388 38.765 38.487 -0.183 0.000 1.526 44 N HN -0.046 nan 8.380 nan 0.000 0.515 45 F N 1.414 121.514 119.950 0.250 0.000 2.563 45 F HA 0.482 5.009 4.527 -0.000 0.000 0.316 45 F C 1.579 177.521 175.800 0.236 0.000 1.076 45 F CA -0.795 57.325 58.000 0.199 0.000 0.921 45 F CB 2.092 41.215 39.000 0.206 0.000 1.209 45 F HN 0.244 nan 8.300 nan 0.000 0.462 46 K N 0.394 120.995 120.400 0.335 0.000 2.459 46 K HA 0.115 4.435 4.320 -0.000 0.000 0.193 46 K C -0.146 176.660 176.600 0.344 0.000 1.030 46 K CA 0.444 56.893 56.287 0.270 0.000 1.026 46 K CB 0.140 32.734 32.500 0.156 0.000 0.809 46 K HN 0.642 nan 8.250 nan 0.000 0.504 47 S N -2.328 113.562 115.700 0.317 0.000 2.547 47 S HA 0.494 4.964 4.470 -0.000 0.000 0.270 47 S C 0.428 174.775 174.600 -0.421 0.000 1.150 47 S CA -0.610 57.597 58.200 0.011 0.000 0.850 47 S CB 1.752 64.950 63.200 -0.002 0.000 1.118 47 S HN -0.034 nan 8.310 nan 0.000 0.461 48 A N 1.617 123.827 122.820 -1.017 0.000 1.933 48 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 48 A C 2.090 179.433 177.584 -0.402 0.000 1.175 48 A CA 1.684 53.197 52.037 -0.874 0.000 0.628 48 A CB -0.931 17.616 19.000 -0.755 0.000 0.814 48 A HN 0.932 nan 8.150 nan 0.000 0.444 49 E N 0.896 120.928 120.200 -0.281 0.000 2.051 49 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 49 E C 1.238 177.731 176.600 -0.179 0.000 0.991 49 E CA 1.683 57.975 56.400 -0.180 0.000 0.799 49 E CB -0.980 28.653 29.700 -0.113 0.000 0.748 49 E HN 0.610 nan 8.360 nan 0.000 0.449 50 D N 0.542 120.855 120.400 -0.145 0.000 2.144 50 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 50 D C 2.060 178.101 176.300 -0.431 0.000 0.984 50 D CA 1.499 55.434 54.000 -0.110 0.000 0.834 50 D CB -0.299 40.564 40.800 0.106 0.000 0.955 50 D HN 0.304 nan 8.370 nan 0.000 0.465 51 c N 0.111 118.297 118.600 -0.690 0.000 2.453 51 c HA -0.107 4.463 4.570 -0.000 0.000 0.277 51 c C 2.465 176.170 174.090 -0.641 0.000 1.262 51 c CA 0.501 56.074 56.329 -1.260 0.000 1.718 51 c CB -0.839 41.284 42.510 -0.645 0.000 2.031 51 c HN 0.273 nan 8.230 nan 0.000 0.480 52 M N 0.494 119.882 119.600 -0.353 0.000 2.159 52 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 52 M C 2.314 178.487 176.300 -0.210 0.000 1.063 52 M CA 1.584 56.755 55.300 -0.214 0.000 1.110 52 M CB -1.579 30.934 32.600 -0.145 0.000 1.374 52 M HN 0.541 nan 8.290 nan 0.000 0.411 53 R N -0.300 120.081 120.500 -0.198 0.000 2.073 53 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 53 R C 1.955 178.178 176.300 -0.128 0.000 1.134 53 R CA 2.029 58.049 56.100 -0.133 0.000 0.952 53 R CB -0.118 30.128 30.300 -0.090 0.000 0.850 53 R HN 0.287 nan 8.270 nan 0.000 0.433 54 T N -0.767 113.696 114.554 -0.152 0.000 2.812 54 T HA -0.069 4.281 4.350 -0.000 0.000 0.264 54 T C 1.605 176.230 174.700 -0.123 0.000 1.042 54 T CA 1.213 63.290 62.100 -0.039 0.000 1.140 54 T CB -0.004 68.972 68.868 0.180 0.000 0.870 54 T HN 0.369 nan 8.240 nan 0.000 0.445 55 c N 1.410 119.836 118.600 -0.290 0.000 3.038 55 c HA 0.498 5.068 4.570 -0.000 0.000 0.279 55 c C 1.830 175.458 174.090 -0.770 0.000 1.276 55 c CA -1.436 54.575 56.329 -0.528 0.000 1.697 55 c CB -1.159 41.005 42.510 -0.577 0.000 2.032 55 c HN 0.603 nan 8.230 nan 0.000 0.636 56 G N 0.000 108.539 108.800 -0.436 0.000 0.000 56 G HA2 0.000 3.960 3.960 -0.000 0.000 0.000 56 G HA3 0.000 3.960 3.960 -0.000 0.000 0.000 56 G CA 0.000 44.931 45.100 -0.282 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000