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 3tgj_1_I 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 0.000 176.158 176.300 -0.236 0.000 0.893 1 R CA 0.000 55.981 56.100 -0.198 0.000 0.921 1 R CB 0.000 30.180 30.300 -0.201 0.000 0.687 2 P HA 0.035 nan 4.420 nan 0.000 0.266 2 P C 0.131 177.147 177.300 -0.474 0.000 1.195 2 P CA -0.157 62.651 63.100 -0.485 0.000 0.768 2 P CB 0.592 31.759 31.700 -0.888 0.000 0.838 3 D N 2.039 122.269 120.400 -0.283 0.000 2.218 3 D HA -0.203 4.437 4.640 -0.000 0.000 0.204 3 D C 1.325 177.585 176.300 -0.067 0.000 0.976 3 D CA 1.113 55.035 54.000 -0.130 0.000 0.853 3 D CB -0.694 40.085 40.800 -0.035 0.000 0.939 3 D HN 0.493 nan 8.370 nan 0.000 0.481 4 F N 0.296 120.260 119.950 0.023 0.000 2.699 4 F HA 0.169 4.696 4.527 -0.000 0.000 0.298 4 F C 1.745 177.590 175.800 0.075 0.000 1.154 4 F CA -0.886 57.132 58.000 0.029 0.000 1.457 4 F CB -1.151 37.855 39.000 0.011 0.000 1.106 4 F HN -0.028 nan 8.300 nan 0.000 0.585 5 c N 0.856 119.383 118.600 -0.123 0.000 2.514 5 c HA 0.203 4.773 4.570 -0.000 0.000 0.271 5 c C 2.423 176.627 174.090 0.189 0.000 1.399 5 c CA 0.190 56.555 56.329 0.059 0.000 1.765 5 c CB -1.327 41.031 42.510 -0.253 0.000 1.893 5 c HN 0.585 nan 8.230 nan 0.000 0.531 6 L N -0.198 121.092 121.223 0.112 0.000 2.585 6 L HA 0.153 4.493 4.340 -0.000 0.000 0.226 6 L C 0.772 177.724 176.870 0.137 0.000 1.113 6 L CA 0.408 55.328 54.840 0.132 0.000 0.876 6 L CB -0.323 41.776 42.059 0.066 0.000 1.072 6 L HN 0.207 nan 8.230 nan 0.000 0.468 7 E N 1.467 121.755 120.200 0.146 0.000 2.366 7 E HA 0.229 4.579 4.350 -0.000 0.000 0.266 7 E C -2.103 174.568 176.600 0.119 0.000 1.051 7 E CA -1.867 54.599 56.400 0.110 0.000 0.884 7 E CB 0.541 30.296 29.700 0.093 0.000 1.006 7 E HN -0.060 nan 8.360 nan 0.000 0.417 8 P HA 0.158 nan 4.420 nan 0.000 0.274 8 P C -2.417 174.774 177.300 -0.181 0.000 1.246 8 P CA -1.149 61.938 63.100 -0.022 0.000 0.795 8 P CB -0.404 31.275 31.700 -0.035 0.000 1.006 9 P HA -0.005 nan 4.420 nan 0.000 0.268 9 P C -1.240 175.807 177.300 -0.421 0.000 1.205 9 P CA 0.357 62.875 63.100 -0.969 0.000 0.771 9 P CB 0.138 30.667 31.700 -1.952 0.000 0.858 10 Y N 1.810 121.881 120.300 -0.382 0.000 2.478 10 Y HA 0.213 4.763 4.550 0.000 0.000 0.329 10 Y C 1.410 177.444 175.900 0.223 0.000 0.967 10 Y CA -0.063 58.008 58.100 -0.049 0.000 1.255 10 Y CB 0.714 39.169 38.460 -0.008 0.000 1.103 10 Y HN 0.288 nan 8.280 nan 0.000 0.497 11 T N 3.798 118.291 114.554 -0.102 0.000 2.746 11 T HA 0.164 4.514 4.350 -0.000 0.000 0.267 11 T C 0.738 175.280 174.700 -0.263 0.000 1.039 11 T CA 1.690 63.779 62.100 -0.019 0.000 1.142 11 T CB -0.791 68.036 68.868 -0.068 0.000 0.866 11 T HN 1.151 nan 8.240 nan 0.000 0.444 12 G N 0.990 109.314 108.800 -0.793 0.000 2.707 12 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.686 12 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.686 12 G C -2.072 172.629 174.900 -0.332 0.000 1.315 12 G CA -0.328 44.379 45.100 -0.655 0.000 0.832 12 G HN 0.145 nan 8.290 nan 0.000 0.573 13 P HA 0.153 nan 4.420 nan 0.000 0.224 13 P C 1.221 178.452 177.300 -0.115 0.000 1.157 13 P CA 0.800 63.835 63.100 -0.109 0.000 0.799 13 P CB 0.081 31.757 31.700 -0.040 0.000 0.809 14 c N 1.243 119.756 118.600 -0.144 0.000 2.727 14 c HA 0.119 4.689 4.570 -0.000 0.000 0.401 14 c C 1.533 175.525 174.090 -0.164 0.000 1.294 14 c CA 0.067 56.306 56.329 -0.150 0.000 2.134 14 c CB -0.469 41.930 42.510 -0.186 0.000 2.724 14 c HN 0.225 nan 8.230 nan 0.000 0.677 15 K N 1.147 121.468 120.400 -0.132 0.000 2.832 15 K HA 0.368 4.688 4.320 -0.000 0.000 0.211 15 K C 0.258 176.787 176.600 -0.119 0.000 1.112 15 K CA -0.091 56.126 56.287 -0.118 0.000 1.108 15 K CB 0.379 32.829 32.500 -0.083 0.000 0.899 15 K HN 0.721 nan 8.250 nan 0.000 0.464 16 A N 1.407 124.133 122.820 -0.157 0.000 2.246 16 A HA 0.425 4.745 4.320 -0.000 0.000 0.291 16 A C -0.138 177.358 177.584 -0.146 0.000 1.103 16 A CA -0.473 51.478 52.037 -0.142 0.000 0.844 16 A CB 0.546 19.446 19.000 -0.166 0.000 1.136 16 A HN 0.281 nan 8.150 nan 0.000 0.500 17 R N 1.043 121.474 120.500 -0.115 0.000 2.415 17 R HA 0.468 4.808 4.340 -0.000 0.000 0.292 17 R C -1.996 174.247 176.300 -0.095 0.000 1.295 17 R CA -0.074 55.964 56.100 -0.103 0.000 1.137 17 R CB -0.083 30.172 30.300 -0.075 0.000 1.135 17 R HN 0.652 nan 8.270 nan 0.000 0.560 18 I N 5.279 125.782 120.570 -0.111 0.000 2.389 18 I HA 0.324 4.494 4.170 -0.000 0.000 0.288 18 I C 0.391 176.434 176.117 -0.123 0.000 0.999 18 I CA -0.882 60.374 61.300 -0.074 0.000 1.129 18 I CB 1.881 39.878 38.000 -0.005 0.000 1.288 18 I HN 0.259 nan 8.210 nan 0.000 0.444 19 I N 6.662 127.149 120.570 -0.139 0.000 2.452 19 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 19 I C 0.492 176.436 176.117 -0.288 0.000 1.079 19 I CA 0.066 61.230 61.300 -0.227 0.000 1.387 19 I CB -0.071 37.825 38.000 -0.174 0.000 1.404 19 I HN 0.561 nan 8.210 nan 0.000 0.522 20 R N 5.091 125.303 120.500 -0.481 0.000 3.018 20 R HA 0.555 4.895 4.340 -0.000 0.000 0.243 20 R C -1.260 174.920 176.300 -0.200 0.000 1.315 20 R CA -0.947 54.943 56.100 -0.351 0.000 1.039 20 R CB 1.421 31.439 30.300 -0.470 0.000 1.315 20 R HN 0.291 nan 8.270 nan 0.000 0.492 21 Y N 0.252 120.757 120.300 0.342 0.000 2.468 21 Y HA 0.496 5.046 4.550 -0.000 0.000 0.342 21 Y C -0.051 176.351 175.900 0.836 0.000 1.021 21 Y CA -0.721 57.701 58.100 0.538 0.000 1.079 21 Y CB 1.504 40.188 38.460 0.372 0.000 1.226 21 Y HN 0.460 nan 8.280 nan 0.000 0.460 22 F N 0.656 121.003 119.950 0.660 0.000 2.613 22 F HA 0.521 5.048 4.527 -0.000 0.000 0.310 22 F C -1.997 174.044 175.800 0.403 0.000 1.085 22 F CA -1.986 56.304 58.000 0.483 0.000 0.945 22 F CB 0.774 39.801 39.000 0.046 0.000 1.298 22 F HN 0.402 nan 8.300 nan 0.000 0.455 23 Y N 3.766 124.096 120.300 0.049 0.000 2.436 23 Y HA 0.323 4.873 4.550 0.000 0.000 0.343 23 Y C -0.125 175.536 175.900 -0.399 0.000 1.008 23 Y CA -0.201 57.792 58.100 -0.179 0.000 1.241 23 Y CB 0.261 38.739 38.460 0.031 0.000 1.153 23 Y HN 0.761 nan 8.280 nan 0.000 0.521 24 N N 5.129 123.212 118.700 -1.029 0.000 2.500 24 N HA 0.219 4.959 4.740 -0.000 0.000 0.236 24 N C 0.424 175.573 175.510 -0.601 0.000 1.022 24 N CA 0.458 53.100 53.050 -0.681 0.000 0.935 24 N CB 1.210 39.345 38.487 -0.586 0.000 1.147 24 N HN 0.883 nan 8.380 nan 0.000 0.512 25 A N 4.787 127.448 122.820 -0.265 0.000 1.858 25 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 25 A C 2.005 179.527 177.584 -0.103 0.000 1.190 25 A CA 1.299 53.267 52.037 -0.116 0.000 0.617 25 A CB -0.494 18.558 19.000 0.088 0.000 0.827 25 A HN 0.752 nan 8.150 nan 0.000 0.443 26 K N -0.588 119.780 120.400 -0.054 0.000 2.173 26 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 26 K C 1.842 178.404 176.600 -0.063 0.000 1.046 26 K CA 1.524 57.792 56.287 -0.032 0.000 0.929 26 K CB -0.237 32.264 32.500 0.001 0.000 0.720 26 K HN 0.455 nan 8.250 nan 0.000 0.453 27 A N -0.802 121.942 122.820 -0.126 0.000 2.063 27 A HA 0.248 4.568 4.320 -0.000 0.000 0.211 27 A C 1.357 178.840 177.584 -0.168 0.000 1.177 27 A CA 0.914 52.873 52.037 -0.131 0.000 0.759 27 A CB 0.259 19.176 19.000 -0.139 0.000 0.857 27 A HN 0.469 nan 8.150 nan 0.000 0.468 28 G N -1.305 107.327 108.800 -0.280 0.000 2.132 28 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.234 28 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.234 28 G C -0.090 174.624 174.900 -0.310 0.000 0.989 28 G CA 0.645 45.600 45.100 -0.242 0.000 0.676 28 G HN 1.577 nan 8.290 nan 0.000 0.522 29 L N -4.145 116.758 121.223 -0.535 0.000 2.801 29 L HA 0.881 5.221 4.340 -0.000 0.000 0.264 29 L C 0.101 176.700 176.870 -0.451 0.000 1.086 29 L CA -1.658 52.972 54.840 -0.350 0.000 0.920 29 L CB 0.352 42.318 42.059 -0.154 0.000 1.529 29 L HN 0.136 nan 8.230 nan 0.000 0.399 30 c N 0.813 119.311 118.600 -0.170 0.000 2.369 30 c HA 0.765 5.335 4.570 -0.000 0.000 0.358 30 c C 0.054 174.135 174.090 -0.017 0.000 1.274 30 c CA -0.158 56.112 56.329 -0.097 0.000 1.935 30 c CB 0.219 42.746 42.510 0.028 0.000 2.431 30 c HN 0.724 nan 8.230 nan 0.000 0.545 31 Q N 0.770 120.531 119.800 -0.064 0.000 2.633 31 Q HA 0.630 4.970 4.340 -0.000 0.000 0.292 31 Q C -0.515 175.711 176.000 0.376 0.000 1.089 31 Q CA -0.587 55.294 55.803 0.132 0.000 0.811 31 Q CB 1.904 30.664 28.738 0.037 0.000 1.472 31 Q HN 0.776 nan 8.270 nan 0.000 0.464 32 T N -1.200 113.519 114.554 0.277 0.000 2.929 32 T HA 0.774 5.124 4.350 -0.000 0.000 0.284 32 T C -0.521 174.402 174.700 0.373 0.000 1.014 32 T CA -0.602 61.582 62.100 0.140 0.000 1.051 32 T CB 0.646 69.409 68.868 -0.176 0.000 1.028 32 T HN 0.509 nan 8.240 nan 0.000 0.485 33 F N -0.948 119.034 119.950 0.053 0.000 2.685 33 F HA 0.747 5.274 4.527 -0.000 0.000 0.315 33 F C -1.699 174.093 175.800 -0.014 0.000 1.126 33 F CA -1.802 56.193 58.000 -0.008 0.000 0.950 33 F CB 0.767 39.682 39.000 -0.142 0.000 1.360 33 F HN 0.432 nan 8.300 nan 0.000 0.469 34 V N 2.961 122.845 119.914 -0.050 0.000 2.406 34 V HA 0.184 4.304 4.120 -0.000 0.000 0.272 34 V C -0.998 175.006 176.094 -0.150 0.000 1.043 34 V CA -0.426 61.781 62.300 -0.155 0.000 0.915 34 V CB 0.448 32.239 31.823 -0.053 0.000 0.988 34 V HN 0.725 nan 8.190 nan 0.000 0.466 35 Y N 3.722 123.756 120.300 -0.443 0.000 2.330 35 Y HA 0.589 5.139 4.550 -0.000 0.000 0.336 35 Y C 1.211 177.014 175.900 -0.162 0.000 1.036 35 Y CA -0.888 57.032 58.100 -0.299 0.000 1.125 35 Y CB 1.812 40.033 38.460 -0.399 0.000 1.194 35 Y HN 0.618 nan 8.280 nan 0.000 0.469 36 G N 2.401 110.889 108.800 -0.520 0.000 2.509 36 G HA2 0.219 4.179 3.960 -0.000 0.000 0.218 36 G HA3 0.219 4.179 3.960 -0.000 0.000 0.218 36 G C 1.050 175.562 174.900 -0.647 0.000 1.124 36 G CA 0.497 45.303 45.100 -0.492 0.000 0.776 36 G HN 1.662 nan 8.290 nan 0.000 0.547 37 G N -2.036 105.990 108.800 -1.290 0.000 2.192 37 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.193 37 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.193 37 G C 0.298 174.926 174.900 -0.453 0.000 0.999 37 G CA 0.293 44.926 45.100 -0.778 0.000 0.659 37 G HN 1.641 nan 8.290 nan 0.000 0.503 38 c N -1.911 116.435 118.600 -0.424 0.000 3.285 38 c HA 0.826 5.396 4.570 -0.000 0.000 0.325 38 c C 0.660 174.844 174.090 0.156 0.000 1.304 38 c CA -0.167 56.152 56.329 -0.018 0.000 1.319 38 c CB 1.718 44.205 42.510 -0.039 0.000 1.640 38 c HN 1.250 nan 8.230 nan 0.000 0.477 39 R N -0.497 120.130 120.500 0.210 0.000 3.531 39 R HA -0.137 4.203 4.340 -0.000 0.000 0.280 39 R C 0.341 176.872 176.300 0.385 0.000 1.130 39 R CA 1.171 57.424 56.100 0.255 0.000 0.757 39 R CB -2.406 28.055 30.300 0.269 0.000 1.218 39 R HN 1.818 nan 8.270 nan 0.000 0.454 40 A N 1.263 124.300 122.820 0.361 0.000 2.498 40 A HA 0.255 4.575 4.320 -0.000 0.000 0.239 40 A C 0.829 178.458 177.584 0.075 0.000 1.068 40 A CA 0.383 52.545 52.037 0.209 0.000 0.766 40 A CB 0.468 19.375 19.000 -0.155 0.000 1.003 40 A HN 0.326 nan 8.150 nan 0.000 0.497 41 K N 0.606 121.040 120.400 0.056 0.000 2.399 41 K HA 0.329 4.649 4.320 -0.000 0.000 0.247 41 K C 1.032 177.506 176.600 -0.210 0.000 1.036 41 K CA -0.666 55.564 56.287 -0.095 0.000 0.977 41 K CB 0.592 33.026 32.500 -0.110 0.000 1.272 41 K HN 0.649 nan 8.250 nan 0.000 0.501 42 R N 0.494 120.804 120.500 -0.317 0.000 2.115 42 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 42 R C 0.808 176.777 176.300 -0.551 0.000 1.100 42 R CA 0.751 56.488 56.100 -0.606 0.000 0.980 42 R CB -0.142 29.439 30.300 -1.199 0.000 0.875 42 R HN 0.318 nan 8.270 nan 0.000 0.445 43 N N 1.662 120.262 118.700 -0.166 0.000 3.243 43 N HA -0.058 4.682 4.740 -0.000 0.000 0.310 43 N C -1.339 174.127 175.510 -0.073 0.000 1.313 43 N CA 0.175 53.259 53.050 0.055 0.000 1.204 43 N CB -0.407 38.255 38.487 0.292 0.000 1.483 43 N HN 0.082 nan 8.380 nan 0.000 0.553 44 N N 1.737 120.154 118.700 -0.472 0.000 2.594 44 N HA 0.166 4.906 4.740 -0.000 0.000 0.280 44 N C -1.803 173.426 175.510 -0.468 0.000 1.156 44 N CA -0.264 52.693 53.050 -0.156 0.000 0.831 44 N CB 0.126 38.524 38.487 -0.149 0.000 1.379 44 N HN -0.080 nan 8.380 nan 0.000 0.536 45 F N 1.321 121.430 119.950 0.264 0.000 2.522 45 F HA 0.495 5.022 4.527 -0.000 0.000 0.324 45 F C 1.714 177.651 175.800 0.228 0.000 1.077 45 F CA -0.830 57.291 58.000 0.201 0.000 0.944 45 F CB 1.995 41.121 39.000 0.211 0.000 1.175 45 F HN 0.194 nan 8.300 nan 0.000 0.468 46 K N 0.369 120.968 120.400 0.331 0.000 2.487 46 K HA 0.110 4.430 4.320 -0.000 0.000 0.192 46 K C -0.212 176.587 176.600 0.332 0.000 1.027 46 K CA 0.388 56.829 56.287 0.256 0.000 1.054 46 K CB 0.142 32.731 32.500 0.149 0.000 0.824 46 K HN 0.695 nan 8.250 nan 0.000 0.510 47 S N -2.823 113.070 115.700 0.321 0.000 2.587 47 S HA 0.457 4.927 4.470 -0.000 0.000 0.269 47 S C 0.273 174.589 174.600 -0.473 0.000 1.154 47 S CA -0.579 57.609 58.200 -0.020 0.000 0.824 47 S CB 1.508 64.696 63.200 -0.020 0.000 1.118 47 S HN -0.059 nan 8.310 nan 0.000 0.462 48 A N 0.765 123.000 122.820 -0.974 0.000 1.968 48 A HA 0.292 4.612 4.320 -0.000 0.000 0.217 48 A C 2.191 179.546 177.584 -0.382 0.000 1.169 48 A CA 1.832 53.395 52.037 -0.791 0.000 0.638 48 A CB -1.768 16.806 19.000 -0.710 0.000 0.812 48 A HN 1.363 nan 8.150 nan 0.000 0.446 49 E N 0.135 120.170 120.200 -0.274 0.000 2.051 49 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 49 E C 1.785 178.271 176.600 -0.191 0.000 0.991 49 E CA 1.560 57.852 56.400 -0.180 0.000 0.799 49 E CB -0.909 28.722 29.700 -0.115 0.000 0.748 49 E HN 0.689 nan 8.360 nan 0.000 0.449 50 D N -0.605 119.688 120.400 -0.178 0.000 2.117 50 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 50 D C 2.183 178.170 176.300 -0.523 0.000 0.982 50 D CA 1.490 55.388 54.000 -0.170 0.000 0.828 50 D CB -0.191 40.632 40.800 0.038 0.000 0.967 50 D HN 0.545 nan 8.370 nan 0.000 0.464 51 c N 0.657 118.771 118.600 -0.811 0.000 2.453 51 c HA -0.106 4.464 4.570 -0.000 0.000 0.277 51 c C 2.650 176.342 174.090 -0.663 0.000 1.262 51 c CA 0.426 55.891 56.329 -1.440 0.000 1.718 51 c CB -0.856 41.236 42.510 -0.697 0.000 2.031 51 c HN 0.272 nan 8.230 nan 0.000 0.480 52 M N 0.644 120.026 119.600 -0.363 0.000 2.175 52 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 52 M C 2.315 178.494 176.300 -0.201 0.000 1.063 52 M CA 1.649 56.829 55.300 -0.200 0.000 1.119 52 M CB -1.479 31.039 32.600 -0.137 0.000 1.377 52 M HN 0.593 nan 8.290 nan 0.000 0.415 53 R N -0.411 119.965 120.500 -0.205 0.000 2.066 53 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 53 R C 1.943 178.160 176.300 -0.140 0.000 1.131 53 R CA 2.113 58.128 56.100 -0.142 0.000 0.955 53 R CB -0.345 29.892 30.300 -0.105 0.000 0.851 53 R HN 0.220 nan 8.270 nan 0.000 0.432 54 T N -0.411 114.039 114.554 -0.172 0.000 2.701 54 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 54 T C 1.773 176.401 174.700 -0.119 0.000 1.040 54 T CA 1.449 63.511 62.100 -0.063 0.000 1.147 54 T CB -0.138 68.796 68.868 0.109 0.000 0.865 54 T HN 0.407 nan 8.240 nan 0.000 0.426 55 c N 0.803 119.247 118.600 -0.259 0.000 2.791 55 c HA 0.467 5.037 4.570 -0.000 0.000 0.288 55 c C 1.966 175.651 174.090 -0.675 0.000 1.271 55 c CA -1.167 54.885 56.329 -0.461 0.000 1.726 55 c CB -1.110 41.097 42.510 -0.505 0.000 2.145 55 c HN 0.640 nan 8.230 nan 0.000 0.572 56 G N 0.000 108.546 108.800 -0.423 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 44.952 45.100 -0.247 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000