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 1vq6_1_1 DATA FIRST_RESID 1 DATA SEQUENCE TGAGTPSQGK KNTTTHTKCR RCGEKSYHTK KKVCSSCGFG KSAKRRDYEW DATA SEQUENCE QSKAGE 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.700 174.700 0.001 0.000 1.109 1 T CA 0.000 62.100 62.100 0.001 0.000 1.349 1 T CB 0.000 68.868 68.868 0.001 0.000 0.612 2 G N 0.938 109.738 108.800 0.001 0.000 2.380 2 G HA2 0.459 4.419 3.960 0.000 0.000 0.242 2 G HA3 0.459 4.419 3.960 0.000 0.000 0.242 2 G C 1.075 175.976 174.900 0.001 0.000 1.298 2 G CA -0.013 45.087 45.100 0.001 0.000 0.878 2 G HN 1.022 nan 8.290 nan 0.000 0.542 3 A N 2.153 124.973 122.820 0.001 0.000 2.167 3 A HA 0.321 4.641 4.320 0.000 0.000 0.214 3 A C 1.847 179.432 177.584 0.002 0.000 1.151 3 A CA 1.441 53.479 52.037 0.001 0.000 0.735 3 A CB -0.303 18.697 19.000 0.001 0.000 0.802 3 A HN 0.907 nan 8.150 nan 0.000 0.467 4 G N -1.075 107.726 108.800 0.002 0.000 3.229 4 G HA2 0.239 4.199 3.960 0.000 0.000 0.165 4 G HA3 0.239 4.199 3.960 0.000 0.000 0.165 4 G C 1.202 176.103 174.900 0.002 0.000 1.753 4 G CA 0.853 45.954 45.100 0.002 0.000 1.054 4 G HN 0.216 nan 8.290 nan 0.000 0.544 5 T N 2.647 117.202 114.554 0.002 0.000 2.624 5 T HA -0.159 4.191 4.350 0.000 0.000 0.266 5 T C 0.055 174.757 174.700 0.003 0.000 1.050 5 T CA 2.167 64.268 62.100 0.002 0.000 1.163 5 T CB -1.259 67.610 68.868 0.002 0.000 0.861 5 T HN 0.395 nan 8.240 nan 0.000 0.443 6 P HA 0.048 nan 4.420 nan 0.000 0.220 6 P C 1.113 178.415 177.300 0.003 0.000 1.148 6 P CA 1.013 64.114 63.100 0.002 0.000 0.803 6 P CB -0.101 31.600 31.700 0.002 0.000 0.782 7 S N -0.378 115.324 115.700 0.003 0.000 2.593 7 S HA 0.045 4.515 4.470 0.000 0.000 0.217 7 S C 1.634 176.237 174.600 0.004 0.000 0.966 7 S CA 0.212 58.414 58.200 0.004 0.000 0.914 7 S CB -0.277 62.925 63.200 0.004 0.000 0.776 7 S HN 0.150 nan 8.310 nan 0.000 0.523 8 Q N 0.670 120.473 119.800 0.004 0.000 2.354 8 Q HA 0.164 4.504 4.340 0.000 0.000 0.203 8 Q C 2.121 178.124 176.000 0.005 0.000 0.933 8 Q CA 0.656 56.462 55.803 0.005 0.000 0.901 8 Q CB -0.791 27.950 28.738 0.005 0.000 1.007 8 Q HN 0.562 nan 8.270 nan 0.000 0.495 9 G N 1.169 109.972 108.800 0.004 0.000 2.509 9 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 9 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 9 G C 1.236 176.139 174.900 0.004 0.000 1.124 9 G CA 0.263 45.365 45.100 0.004 0.000 0.776 9 G HN 0.288 nan 8.290 nan 0.000 0.547 10 K N 0.138 120.540 120.400 0.004 0.000 2.404 10 K HA 0.114 4.434 4.320 0.000 0.000 0.194 10 K C 0.421 177.023 176.600 0.004 0.000 1.023 10 K CA -0.004 56.285 56.287 0.004 0.000 1.094 10 K CB 0.396 32.898 32.500 0.004 0.000 0.841 10 K HN 0.120 nan 8.250 nan 0.000 0.523 11 K N 2.898 123.301 120.400 0.005 0.000 2.155 11 K HA 0.030 4.350 4.320 0.000 0.000 0.240 11 K C 0.109 176.711 176.600 0.004 0.000 1.193 11 K CA -0.080 56.210 56.287 0.005 0.000 1.104 11 K CB -0.118 32.386 32.500 0.008 0.000 1.558 11 K HN 0.174 nan 8.250 nan 0.000 0.313 12 N N -0.105 118.596 118.700 0.002 0.000 2.365 12 N HA 0.001 4.741 4.740 0.000 0.000 0.257 12 N C -0.741 174.768 175.510 -0.001 0.000 1.287 12 N CA -0.441 52.610 53.050 0.002 0.000 0.882 12 N CB 0.669 39.158 38.487 0.002 0.000 1.250 12 N HN -0.086 nan 8.380 nan 0.000 0.507 13 T N 0.357 114.908 114.554 -0.004 0.000 2.837 13 T HA 0.351 4.701 4.350 0.000 0.000 0.285 13 T C -0.317 174.368 174.700 -0.025 0.000 0.984 13 T CA 0.030 62.123 62.100 -0.011 0.000 1.049 13 T CB 1.546 70.408 68.868 -0.009 0.000 0.947 13 T HN 0.015 nan 8.240 nan 0.000 0.472 14 T N 2.653 117.188 114.554 -0.032 0.000 2.767 14 T HA 0.458 4.808 4.350 0.000 0.000 0.288 14 T C 1.205 175.835 174.700 -0.117 0.000 0.963 14 T CA -0.534 61.535 62.100 -0.052 0.000 1.019 14 T CB 0.973 69.826 68.868 -0.025 0.000 0.923 14 T HN 0.867 nan 8.240 nan 0.000 0.468 15 T N -0.082 114.339 114.554 -0.221 0.000 3.463 15 T HA 0.184 4.534 4.350 0.000 0.000 0.203 15 T C 0.458 174.807 174.700 -0.586 0.000 0.955 15 T CA -0.301 61.465 62.100 -0.557 0.000 1.230 15 T CB -0.244 68.090 68.868 -0.890 0.000 1.392 15 T HN 0.536 nan 8.240 nan 0.000 0.361 16 H N 3.552 122.421 119.070 -0.335 0.000 2.975 16 H HA 0.444 5.000 4.556 0.000 0.000 0.303 16 H C 0.403 175.714 175.328 -0.028 0.000 1.023 16 H CA 0.869 56.825 56.048 -0.153 0.000 1.473 16 H CB 0.266 29.975 29.762 -0.088 0.000 1.498 16 H HN 0.734 nan 8.280 nan 0.000 0.549 17 T N -0.165 114.487 114.554 0.164 0.000 2.887 17 T HA 0.325 4.675 4.350 0.000 0.000 0.292 17 T C 0.024 174.846 174.700 0.203 0.000 1.087 17 T CA -1.382 60.818 62.100 0.168 0.000 1.009 17 T CB 2.240 71.211 68.868 0.172 0.000 1.203 17 T HN 0.306 nan 8.240 nan 0.000 0.518 18 K N 0.530 121.006 120.400 0.126 0.000 2.491 18 K HA 0.167 4.487 4.320 0.000 0.000 0.279 18 K C -0.134 176.512 176.600 0.076 0.000 1.026 18 K CA -0.263 56.073 56.287 0.082 0.000 1.070 18 K CB -0.475 32.047 32.500 0.037 0.000 0.887 18 K HN 0.791 nan 8.250 nan 0.000 0.481 19 C N 6.275 125.608 119.300 0.056 0.000 2.435 19 C HA 0.308 4.768 4.460 0.000 0.000 0.375 19 C C 1.808 176.680 174.990 -0.196 0.000 1.281 19 C CA -0.639 58.358 59.018 -0.034 0.000 1.963 19 C CB 0.065 27.850 27.740 0.076 0.000 2.490 19 C HN 1.123 nan 8.230 nan 0.000 0.557 20 R N 2.704 122.994 120.500 -0.351 0.000 2.105 20 R HA -0.113 4.227 4.340 0.000 0.000 0.239 20 R C 2.387 178.388 176.300 -0.498 0.000 1.135 20 R CA 1.702 57.576 56.100 -0.376 0.000 0.967 20 R CB -0.227 29.850 30.300 -0.371 0.000 0.861 20 R HN 0.842 nan 8.270 nan 0.000 0.442 21 R N -0.109 119.932 120.500 -0.765 0.000 2.066 21 R HA -0.076 4.264 4.340 0.000 0.000 0.224 21 R C 2.128 178.243 176.300 -0.309 0.000 1.122 21 R CA 1.640 57.331 56.100 -0.682 0.000 0.974 21 R CB -0.054 29.649 30.300 -0.995 0.000 0.871 21 R HN 0.474 nan 8.270 nan 0.000 0.435 22 C N -2.083 117.100 119.300 -0.196 0.000 3.183 22 C HA 0.522 4.982 4.460 0.000 0.000 0.285 22 C C 1.402 176.354 174.990 -0.063 0.000 1.313 22 C CA 0.062 59.024 59.018 -0.094 0.000 1.711 22 C CB 0.121 27.841 27.740 -0.033 0.000 2.135 22 C HN 0.674 nan 8.230 nan 0.000 0.651 23 G N 0.959 109.715 108.800 -0.073 0.000 2.184 23 G HA2 -0.190 3.770 3.960 0.000 0.000 0.264 23 G HA3 -0.190 3.770 3.960 0.000 0.000 0.264 23 G C -0.191 174.705 174.900 -0.007 0.000 0.975 23 G CA 0.699 45.773 45.100 -0.043 0.000 0.642 23 G HN 0.658 nan 8.290 nan 0.000 0.536 24 E N 0.097 120.305 120.200 0.014 0.000 2.319 24 E HA 0.281 4.631 4.350 0.000 0.000 0.268 24 E C 0.498 177.138 176.600 0.067 0.000 1.050 24 E CA -0.648 55.773 56.400 0.035 0.000 0.878 24 E CB 0.998 30.723 29.700 0.042 0.000 1.066 24 E HN 0.299 nan 8.360 nan 0.000 0.406 25 K N 1.403 121.840 120.400 0.061 0.000 3.006 25 K HA 0.105 4.425 4.320 0.000 0.000 0.265 25 K C -0.264 176.406 176.600 0.117 0.000 1.279 25 K CA 0.130 56.470 56.287 0.088 0.000 1.229 25 K CB -0.255 32.281 32.500 0.060 0.000 1.555 25 K HN 0.177 nan 8.250 nan 0.000 0.300 26 S N 0.587 116.387 115.700 0.167 0.000 2.819 26 S HA 0.022 4.492 4.470 0.000 0.000 0.249 26 S C -0.724 174.113 174.600 0.394 0.000 1.030 26 S CA -0.500 57.822 58.200 0.204 0.000 1.052 26 S CB 0.009 63.278 63.200 0.114 0.000 1.017 26 S HN 0.446 nan 8.310 nan 0.000 0.576 27 Y N 3.537 123.972 120.300 0.224 0.000 2.585 27 Y HA 0.301 4.851 4.550 0.000 0.000 0.354 27 Y C 0.339 176.340 175.900 0.169 0.000 1.024 27 Y CA -1.165 57.065 58.100 0.217 0.000 1.321 27 Y CB -0.415 38.156 38.460 0.185 0.000 1.151 27 Y HN 0.252 nan 8.280 nan 0.000 0.525 28 H N 4.158 123.051 119.070 -0.296 0.000 3.145 28 H HA 0.015 4.571 4.556 0.000 0.000 0.263 28 H C 1.411 176.414 175.328 -0.540 0.000 1.057 28 H CA 0.657 56.438 56.048 -0.446 0.000 1.477 28 H CB 0.886 30.411 29.762 -0.395 0.000 1.529 28 H HN 0.851 nan 8.280 nan 0.000 0.508 29 T N 3.724 118.147 114.554 -0.219 0.000 3.051 29 T HA -0.065 4.285 4.350 0.000 0.000 0.269 29 T C 1.714 176.407 174.700 -0.012 0.000 1.127 29 T CA 0.971 63.010 62.100 -0.102 0.000 1.107 29 T CB -0.057 68.813 68.868 0.004 0.000 0.898 29 T HN 0.527 nan 8.240 nan 0.000 0.517 30 K N 0.709 121.200 120.400 0.151 0.000 2.128 30 K HA 0.147 4.467 4.320 0.000 0.000 0.202 30 K C 2.084 178.634 176.600 -0.083 0.000 1.050 30 K CA 0.788 57.112 56.287 0.062 0.000 0.966 30 K CB 0.002 32.571 32.500 0.115 0.000 0.759 30 K HN 0.352 nan 8.250 nan 0.000 0.454 31 K N 0.801 121.077 120.400 -0.206 0.000 2.361 31 K HA 0.059 4.379 4.320 0.000 0.000 0.196 31 K C -0.145 176.323 176.600 -0.219 0.000 1.039 31 K CA -0.028 56.096 56.287 -0.272 0.000 1.001 31 K CB 0.285 32.540 32.500 -0.409 0.000 0.795 31 K HN -0.145 nan 8.250 nan 0.000 0.495 32 K N 0.543 120.758 120.400 -0.308 0.000 3.150 32 K HA -0.135 4.185 4.320 0.000 0.000 0.267 32 K C -1.126 175.297 176.600 -0.295 0.000 1.028 32 K CA 0.439 56.499 56.287 -0.379 0.000 0.753 32 K CB -2.246 30.215 32.500 -0.066 0.000 1.288 32 K HN 0.064 nan 8.250 nan 0.000 0.473 33 V N -0.071 119.617 119.914 -0.376 0.000 2.777 33 V HA 0.195 4.315 4.120 0.000 0.000 0.306 33 V C 0.016 176.147 176.094 0.062 0.000 1.112 33 V CA -1.208 61.052 62.300 -0.067 0.000 0.917 33 V CB 2.424 34.220 31.823 -0.044 0.000 1.018 33 V HN 0.467 nan 8.190 nan 0.000 0.426 34 C N 4.025 123.513 119.300 0.313 0.000 2.415 34 C HA 0.396 4.856 4.460 0.000 0.000 0.369 34 C C 2.011 177.157 174.990 0.259 0.000 1.279 34 C CA 0.424 59.667 59.018 0.376 0.000 1.886 34 C CB 0.456 28.478 27.740 0.469 0.000 2.468 34 C HN 1.135 nan 8.230 nan 0.000 0.553 35 S N 3.395 119.245 115.700 0.250 0.000 2.489 35 S HA -0.085 4.385 4.470 0.000 0.000 0.228 35 S C 1.673 176.373 174.600 0.167 0.000 0.995 35 S CA 1.357 59.676 58.200 0.199 0.000 0.934 35 S CB -0.126 63.179 63.200 0.174 0.000 0.771 35 S HN 0.841 nan 8.310 nan 0.000 0.522 36 S N 0.771 116.566 115.700 0.159 0.000 2.370 36 S HA -0.022 4.448 4.470 0.000 0.000 0.214 36 S C 2.072 176.744 174.600 0.119 0.000 1.033 36 S CA 0.817 59.091 58.200 0.123 0.000 0.941 36 S CB -0.645 62.613 63.200 0.096 0.000 0.886 36 S HN 0.886 nan 8.310 nan 0.000 0.521 37 C N 0.364 119.744 119.300 0.134 0.000 2.780 37 C HA 0.668 5.128 4.460 0.000 0.000 0.267 37 C C 1.861 176.938 174.990 0.145 0.000 1.266 37 C CA 0.277 59.362 59.018 0.111 0.000 1.709 37 C CB -0.611 27.183 27.740 0.091 0.000 1.975 37 C HN 0.890 nan 8.230 nan 0.000 0.582 38 G N 0.178 109.093 108.800 0.192 0.000 2.157 38 G HA2 -0.266 3.694 3.960 0.000 0.000 0.248 38 G HA3 -0.266 3.694 3.960 0.000 0.000 0.248 38 G C -0.145 174.886 174.900 0.218 0.000 0.979 38 G CA 0.192 45.399 45.100 0.178 0.000 0.650 38 G HN 0.760 nan 8.290 nan 0.000 0.529 39 F N 1.650 121.672 119.950 0.119 0.000 2.623 39 F HA 0.387 4.914 4.527 0.000 0.000 0.383 39 F C 1.577 177.488 175.800 0.185 0.000 1.077 39 F CA 1.541 59.616 58.000 0.125 0.000 1.268 39 F CB 0.524 39.591 39.000 0.112 0.000 1.053 39 F HN 1.182 nan 8.300 nan 0.000 0.571 40 G N 4.486 113.002 108.800 -0.473 0.000 2.234 40 G HA2 -0.333 3.627 3.960 0.000 0.000 0.235 40 G HA3 -0.333 3.627 3.960 0.000 0.000 0.235 40 G C 1.112 175.933 174.900 -0.132 0.000 0.997 40 G CA 0.455 45.343 45.100 -0.354 0.000 0.623 40 G HN 0.763 nan 8.290 nan 0.000 0.514 41 K N -0.108 120.266 120.400 -0.045 0.000 2.380 41 K HA 0.424 4.745 4.320 0.000 0.000 0.200 41 K C 0.704 177.309 176.600 0.009 0.000 1.201 41 K CA 1.020 57.304 56.287 -0.006 0.000 0.916 41 K CB 0.511 33.030 32.500 0.032 0.000 1.187 41 K HN 0.418 nan 8.250 nan 0.000 0.498 42 S N -0.650 115.070 115.700 0.034 0.000 2.521 42 S HA 0.556 5.026 4.470 0.000 0.000 0.295 42 S C 0.307 174.940 174.600 0.056 0.000 1.098 42 S CA -0.294 57.929 58.200 0.038 0.000 0.999 42 S CB 1.825 65.049 63.200 0.039 0.000 1.034 42 S HN 0.300 nan 8.310 nan 0.000 0.483 43 A N 4.639 127.484 122.820 0.041 0.000 1.930 43 A HA 0.161 4.481 4.320 0.000 0.000 0.217 43 A C 0.879 178.492 177.584 0.049 0.000 1.175 43 A CA 0.989 53.058 52.037 0.053 0.000 0.627 43 A CB -0.329 18.690 19.000 0.033 0.000 0.815 43 A HN 0.770 nan 8.150 nan 0.000 0.443 44 K N 0.561 120.975 120.400 0.024 0.000 2.185 44 K HA 0.298 4.618 4.320 0.000 0.000 0.271 44 K C -0.238 176.363 176.600 0.001 0.000 1.013 44 K CA -0.736 55.552 56.287 0.001 0.000 0.943 44 K CB 0.534 33.020 32.500 -0.023 0.000 0.998 44 K HN 0.122 nan 8.250 nan 0.000 0.468 45 R N 2.270 122.760 120.500 -0.017 0.000 2.537 45 R HA 0.028 4.368 4.340 0.000 0.000 0.280 45 R C 0.237 176.493 176.300 -0.074 0.000 1.058 45 R CA 0.002 56.089 56.100 -0.022 0.000 1.057 45 R CB 0.257 30.536 30.300 -0.035 0.000 0.973 45 R HN 0.594 nan 8.270 nan 0.000 0.438 46 R N 1.908 122.377 120.500 -0.051 0.000 2.484 46 R HA -0.028 4.312 4.340 0.000 0.000 0.293 46 R C -0.870 175.287 176.300 -0.239 0.000 1.023 46 R CA 0.569 56.596 56.100 -0.122 0.000 1.037 46 R CB 0.268 30.588 30.300 0.032 0.000 0.951 46 R HN 0.574 nan 8.270 nan 0.000 0.418 47 D N 2.981 123.052 120.400 -0.549 0.000 2.836 47 D HA 0.263 4.903 4.640 0.000 0.000 0.215 47 D C -1.938 173.783 176.300 -0.965 0.000 1.255 47 D CA -0.339 53.336 54.000 -0.542 0.000 0.822 47 D CB 0.725 41.336 40.800 -0.315 0.000 1.656 47 D HN 0.397 nan 8.370 nan 0.000 0.511 48 Y N 1.039 121.043 120.300 -0.494 0.000 2.512 48 Y HA 0.318 4.868 4.550 0.000 0.000 0.348 48 Y C 1.157 176.687 175.900 -0.617 0.000 0.990 48 Y CA -0.853 56.820 58.100 -0.712 0.000 1.033 48 Y CB 1.973 39.495 38.460 -1.563 0.000 1.259 48 Y HN 0.249 nan 8.280 nan 0.000 0.461 49 E N 1.695 121.749 120.200 -0.243 0.000 2.268 49 E HA -0.121 4.229 4.350 0.000 0.000 0.195 49 E C 1.363 177.959 176.600 -0.007 0.000 0.995 49 E CA 0.832 57.177 56.400 -0.093 0.000 0.836 49 E CB -0.043 29.664 29.700 0.011 0.000 0.763 49 E HN 0.830 nan 8.360 nan 0.000 0.491 50 W N 0.430 121.797 121.300 0.111 0.000 3.292 50 W HA 0.132 4.792 4.660 0.000 0.000 0.263 50 W C 0.709 177.264 176.519 0.060 0.000 1.318 50 W CA -0.204 57.181 57.345 0.065 0.000 1.663 50 W CB -0.463 29.019 29.460 0.036 0.000 1.114 50 W HN 0.032 nan 8.180 nan 0.000 0.706 51 Q N 1.684 121.485 119.800 0.002 0.000 2.482 51 Q HA -0.021 4.319 4.340 0.000 0.000 0.209 51 Q C 0.809 176.854 176.000 0.076 0.000 0.961 51 Q CA 0.853 56.679 55.803 0.038 0.000 0.945 51 Q CB 0.243 28.899 28.738 -0.136 0.000 1.012 51 Q HN 0.228 nan 8.270 nan 0.000 0.515 52 S N -1.299 114.448 115.700 0.079 0.000 2.638 52 S HA 0.425 4.895 4.470 0.000 0.000 0.274 52 S C -0.899 173.748 174.600 0.079 0.000 1.157 52 S CA -1.232 57.006 58.200 0.063 0.000 0.826 52 S CB 1.688 64.904 63.200 0.026 0.000 1.139 52 S HN -0.186 nan 8.310 nan 0.000 0.474 53 K N 0.958 121.394 120.400 0.060 0.000 2.485 53 K HA 0.298 4.618 4.320 0.000 0.000 0.277 53 K C 1.668 178.299 176.600 0.053 0.000 0.990 53 K CA 0.528 56.849 56.287 0.057 0.000 0.994 53 K CB 0.433 32.957 32.500 0.041 0.000 0.906 53 K HN 0.826 nan 8.250 nan 0.000 0.488 54 A N 3.236 126.090 122.820 0.057 0.000 1.903 54 A HA -0.177 4.143 4.320 0.000 0.000 0.219 54 A C 1.708 179.314 177.584 0.035 0.000 1.191 54 A CA 2.309 54.377 52.037 0.052 0.000 0.638 54 A CB -0.741 18.289 19.000 0.050 0.000 0.823 54 A HN 0.768 nan 8.150 nan 0.000 0.451 55 G N -1.098 107.719 108.800 0.029 0.000 3.379 55 G HA2 0.404 4.364 3.960 0.000 0.000 0.253 55 G HA3 0.404 4.364 3.960 0.000 0.000 0.253 55 G C 0.147 175.058 174.900 0.017 0.000 1.262 55 G CA 0.529 45.642 45.100 0.021 0.000 0.959 55 G HN 0.634 nan 8.290 nan 0.000 0.524 56 E N 0.000 120.211 120.200 0.019 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.408 56.400 0.014 0.000 0.000 56 E CB 0.000 29.710 29.700 0.017 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000