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 3ccq_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 0.770 109.570 108.800 0.001 0.000 2.483 2 G HA2 0.505 4.465 3.960 0.000 0.000 0.248 2 G HA3 0.505 4.465 3.960 0.000 0.000 0.248 2 G C 1.022 175.923 174.900 0.001 0.000 1.248 2 G CA -0.083 45.018 45.100 0.001 0.000 0.838 2 G HN 0.989 nan 8.290 nan 0.000 0.566 3 A N 1.522 124.343 122.820 0.001 0.000 2.208 3 A HA 0.367 4.687 4.320 0.000 0.000 0.209 3 A C 1.804 179.390 177.584 0.003 0.000 1.161 3 A CA 1.302 53.340 52.037 0.002 0.000 0.782 3 A CB -0.364 18.637 19.000 0.002 0.000 0.816 3 A HN 0.916 nan 8.150 nan 0.000 0.477 4 G N -0.869 107.933 108.800 0.002 0.000 3.022 4 G HA2 0.220 4.180 3.960 0.000 0.000 0.157 4 G HA3 0.220 4.180 3.960 0.000 0.000 0.157 4 G C 1.208 176.109 174.900 0.003 0.000 1.691 4 G CA 0.881 45.983 45.100 0.002 0.000 1.079 4 G HN 0.218 nan 8.290 nan 0.000 0.549 5 T N 2.618 117.174 114.554 0.003 0.000 2.620 5 T HA -0.147 4.203 4.350 0.000 0.000 0.267 5 T C 0.081 174.783 174.700 0.003 0.000 1.044 5 T CA 2.123 64.225 62.100 0.003 0.000 1.161 5 T CB -1.232 67.638 68.868 0.003 0.000 0.862 5 T HN 0.383 nan 8.240 nan 0.000 0.438 6 P HA 0.002 nan 4.420 nan 0.000 0.216 6 P C 1.266 178.567 177.300 0.003 0.000 1.150 6 P CA 1.128 64.229 63.100 0.002 0.000 0.837 6 P CB -0.146 31.555 31.700 0.002 0.000 0.786 7 S N -0.429 115.273 115.700 0.003 0.000 2.603 7 S HA 0.022 4.492 4.470 0.000 0.000 0.220 7 S C 1.665 176.268 174.600 0.005 0.000 0.967 7 S CA 0.322 58.524 58.200 0.004 0.000 0.920 7 S CB -0.363 62.840 63.200 0.004 0.000 0.773 7 S HN 0.172 nan 8.310 nan 0.000 0.529 8 Q N 0.495 120.298 119.800 0.005 0.000 2.354 8 Q HA 0.164 4.504 4.340 0.000 0.000 0.203 8 Q C 2.167 178.170 176.000 0.005 0.000 0.933 8 Q CA 0.670 56.476 55.803 0.006 0.000 0.901 8 Q CB -0.787 27.954 28.738 0.006 0.000 1.007 8 Q HN 0.557 nan 8.270 nan 0.000 0.495 9 G N 1.155 109.957 108.800 0.004 0.000 2.509 9 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 9 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 9 G C 1.331 176.233 174.900 0.003 0.000 1.124 9 G CA 0.281 45.383 45.100 0.004 0.000 0.776 9 G HN 0.278 nan 8.290 nan 0.000 0.547 10 K N 0.175 120.577 120.400 0.004 0.000 2.426 10 K HA 0.089 4.409 4.320 0.000 0.000 0.193 10 K C 0.582 177.184 176.600 0.003 0.000 1.028 10 K CA 0.059 56.348 56.287 0.003 0.000 1.047 10 K CB 0.283 32.785 32.500 0.003 0.000 0.821 10 K HN 0.145 nan 8.250 nan 0.000 0.513 11 K N 2.843 123.245 120.400 0.004 0.000 2.243 11 K HA 0.009 4.329 4.320 0.000 0.000 0.232 11 K C 0.205 176.806 176.600 0.003 0.000 1.237 11 K CA -0.020 56.270 56.287 0.005 0.000 1.161 11 K CB -0.220 32.285 32.500 0.008 0.000 1.505 11 K HN 0.166 nan 8.250 nan 0.000 0.271 12 N N -0.296 118.404 118.700 0.000 0.000 2.282 12 N HA -0.007 4.733 4.740 0.000 0.000 0.240 12 N C -0.500 175.006 175.510 -0.007 0.000 1.182 12 N CA -0.375 52.674 53.050 -0.002 0.000 0.874 12 N CB 0.612 39.099 38.487 -0.000 0.000 1.126 12 N HN -0.104 nan 8.380 nan 0.000 0.516 13 T N 0.257 114.805 114.554 -0.011 0.000 2.909 13 T HA 0.332 4.682 4.350 0.000 0.000 0.289 13 T C -0.317 174.361 174.700 -0.037 0.000 1.005 13 T CA 0.167 62.254 62.100 -0.022 0.000 1.084 13 T CB 1.327 70.181 68.868 -0.023 0.000 0.975 13 T HN 0.042 nan 8.240 nan 0.000 0.509 14 T N 2.045 116.566 114.554 -0.054 0.000 2.794 14 T HA 0.535 4.885 4.350 0.000 0.000 0.280 14 T C 0.976 175.577 174.700 -0.165 0.000 0.987 14 T CA -0.607 61.447 62.100 -0.075 0.000 0.993 14 T CB 1.203 70.043 68.868 -0.047 0.000 0.939 14 T HN 0.873 nan 8.240 nan 0.000 0.449 15 T N -0.435 113.966 114.554 -0.254 0.000 3.349 15 T HA 0.209 4.559 4.350 0.000 0.000 0.169 15 T C 0.288 174.654 174.700 -0.557 0.000 0.938 15 T CA -0.361 61.363 62.100 -0.626 0.000 1.017 15 T CB -0.210 68.112 68.868 -0.910 0.000 1.476 15 T HN 0.540 nan 8.240 nan 0.000 0.327 16 H N 3.634 122.548 119.070 -0.260 0.000 2.975 16 H HA 0.471 5.027 4.556 0.000 0.000 0.303 16 H C 0.282 175.606 175.328 -0.005 0.000 1.023 16 H CA 0.902 56.900 56.048 -0.083 0.000 1.473 16 H CB 0.253 30.006 29.762 -0.014 0.000 1.498 16 H HN 0.743 nan 8.280 nan 0.000 0.549 17 T N -0.232 114.424 114.554 0.170 0.000 2.883 17 T HA 0.282 4.632 4.350 0.000 0.000 0.296 17 T C -0.025 174.793 174.700 0.197 0.000 1.117 17 T CA -1.397 60.798 62.100 0.159 0.000 1.006 17 T CB 2.222 71.177 68.868 0.144 0.000 1.191 17 T HN 0.310 nan 8.240 nan 0.000 0.508 18 K N 0.949 121.425 120.400 0.127 0.000 2.405 18 K HA 0.108 4.428 4.320 0.000 0.000 0.273 18 K C 0.077 176.729 176.600 0.087 0.000 1.116 18 K CA -0.218 56.123 56.287 0.090 0.000 1.155 18 K CB -0.816 31.713 32.500 0.048 0.000 0.858 18 K HN 0.776 nan 8.250 nan 0.000 0.477 19 C N 6.332 125.684 119.300 0.086 0.000 2.576 19 C HA 0.212 4.672 4.460 0.000 0.000 0.401 19 C C 1.909 176.817 174.990 -0.137 0.000 1.314 19 C CA -0.547 58.475 59.018 0.006 0.000 1.855 19 C CB -0.256 27.552 27.740 0.114 0.000 2.537 19 C HN 1.125 nan 8.230 nan 0.000 0.578 20 R N 3.153 123.503 120.500 -0.250 0.000 2.133 20 R HA -0.156 4.184 4.340 0.000 0.000 0.247 20 R C 2.421 178.485 176.300 -0.393 0.000 1.151 20 R CA 2.052 57.989 56.100 -0.273 0.000 0.971 20 R CB -0.279 29.874 30.300 -0.246 0.000 0.866 20 R HN 0.879 nan 8.270 nan 0.000 0.447 21 R N 0.066 120.171 120.500 -0.659 0.000 2.052 21 R HA -0.092 4.248 4.340 0.000 0.000 0.224 21 R C 2.550 178.664 176.300 -0.310 0.000 1.149 21 R CA 1.685 57.395 56.100 -0.650 0.000 0.962 21 R CB -0.394 29.233 30.300 -1.122 0.000 0.856 21 R HN 0.497 nan 8.270 nan 0.000 0.433 22 C N -1.761 117.419 119.300 -0.201 0.000 2.512 22 C HA 0.463 4.923 4.460 0.000 0.000 0.276 22 C C 1.723 176.675 174.990 -0.064 0.000 1.368 22 C CA 0.347 59.309 59.018 -0.094 0.000 1.755 22 C CB 0.058 27.781 27.740 -0.028 0.000 2.008 22 C HN 0.739 nan 8.230 nan 0.000 0.511 23 G N 0.214 108.977 108.800 -0.060 0.000 2.234 23 G HA2 -0.154 3.806 3.960 0.000 0.000 0.235 23 G HA3 -0.154 3.806 3.960 0.000 0.000 0.235 23 G C -0.137 174.764 174.900 0.001 0.000 0.997 23 G CA 0.306 45.385 45.100 -0.035 0.000 0.623 23 G HN 0.600 nan 8.290 nan 0.000 0.514 24 E N 0.533 120.745 120.200 0.020 0.000 2.374 24 E HA 0.286 4.636 4.350 0.000 0.000 0.260 24 E C 0.450 177.095 176.600 0.074 0.000 1.101 24 E CA -0.358 56.068 56.400 0.043 0.000 0.907 24 E CB 0.841 30.571 29.700 0.050 0.000 1.014 24 E HN 0.400 nan 8.360 nan 0.000 0.427 25 K N 1.256 121.699 120.400 0.073 0.000 2.333 25 K HA 0.168 4.488 4.320 0.000 0.000 0.241 25 K C -0.462 176.220 176.600 0.136 0.000 1.193 25 K CA 0.104 56.453 56.287 0.103 0.000 1.142 25 K CB -0.219 32.326 32.500 0.074 0.000 1.731 25 K HN 0.174 nan 8.250 nan 0.000 0.344 26 S N 1.723 117.546 115.700 0.205 0.000 2.960 26 S HA 0.016 4.486 4.470 0.000 0.000 0.256 26 S C -0.951 173.917 174.600 0.447 0.000 1.017 26 S CA -0.484 57.877 58.200 0.268 0.000 1.144 26 S CB -0.053 63.241 63.200 0.157 0.000 1.109 26 S HN 0.523 nan 8.310 nan 0.000 0.638 27 Y N 3.563 124.007 120.300 0.239 0.000 2.585 27 Y HA 0.334 4.885 4.550 0.000 0.000 0.354 27 Y C 0.335 176.323 175.900 0.147 0.000 1.024 27 Y CA -1.178 57.047 58.100 0.208 0.000 1.321 27 Y CB -0.381 38.188 38.460 0.182 0.000 1.151 27 Y HN 0.271 nan 8.280 nan 0.000 0.525 28 H N 3.976 122.881 119.070 -0.274 0.000 3.160 28 H HA 0.028 4.584 4.556 0.000 0.000 0.257 28 H C 1.487 176.513 175.328 -0.504 0.000 1.140 28 H CA 0.714 56.502 56.048 -0.435 0.000 1.492 28 H CB 0.776 30.287 29.762 -0.419 0.000 1.529 28 H HN 0.833 nan 8.280 nan 0.000 0.490 29 T N 3.115 117.492 114.554 -0.294 0.000 3.077 29 T HA -0.095 4.255 4.350 0.000 0.000 0.269 29 T C 1.529 176.176 174.700 -0.089 0.000 1.146 29 T CA 1.452 63.446 62.100 -0.176 0.000 1.091 29 T CB -0.013 68.822 68.868 -0.055 0.000 0.892 29 T HN 0.630 nan 8.240 nan 0.000 0.533 30 K N -0.280 120.144 120.400 0.040 0.000 2.214 30 K HA 0.185 4.505 4.320 0.000 0.000 0.201 30 K C 2.248 178.846 176.600 -0.004 0.000 1.049 30 K CA 0.454 56.784 56.287 0.071 0.000 0.978 30 K CB 0.213 32.799 32.500 0.143 0.000 0.842 30 K HN 0.207 nan 8.250 nan 0.000 0.474 31 K N 0.759 121.137 120.400 -0.037 0.000 2.365 31 K HA 0.055 4.375 4.320 0.000 0.000 0.197 31 K C -0.123 176.351 176.600 -0.211 0.000 1.042 31 K CA 0.249 56.409 56.287 -0.212 0.000 0.987 31 K CB 0.338 32.595 32.500 -0.404 0.000 0.779 31 K HN -0.118 nan 8.250 nan 0.000 0.484 32 K N 0.350 120.561 120.400 -0.316 0.000 3.096 32 K HA -0.140 4.180 4.320 0.000 0.000 0.266 32 K C -1.073 175.284 176.600 -0.405 0.000 1.043 32 K CA 0.464 56.468 56.287 -0.473 0.000 0.758 32 K CB -2.282 30.125 32.500 -0.155 0.000 1.260 32 K HN 0.047 nan 8.250 nan 0.000 0.481 33 V N 0.075 119.744 119.914 -0.408 0.000 2.733 33 V HA 0.203 4.323 4.120 0.000 0.000 0.306 33 V C 0.090 176.226 176.094 0.071 0.000 1.084 33 V CA -1.216 61.031 62.300 -0.090 0.000 0.905 33 V CB 2.385 34.174 31.823 -0.056 0.000 1.010 33 V HN 0.431 nan 8.190 nan 0.000 0.424 34 C N 4.341 123.839 119.300 0.330 0.000 2.464 34 C HA 0.347 4.807 4.460 0.000 0.000 0.370 34 C C 2.012 177.164 174.990 0.269 0.000 1.267 34 C CA 0.345 59.602 59.018 0.399 0.000 1.781 34 C CB 0.070 28.102 27.740 0.486 0.000 2.431 34 C HN 1.125 nan 8.230 nan 0.000 0.556 35 S N 3.531 119.389 115.700 0.264 0.000 2.515 35 S HA -0.098 4.372 4.470 0.000 0.000 0.231 35 S C 1.692 176.396 174.600 0.174 0.000 0.987 35 S CA 1.418 59.743 58.200 0.209 0.000 0.936 35 S CB -0.140 63.184 63.200 0.206 0.000 0.766 35 S HN 0.854 nan 8.310 nan 0.000 0.528 36 S N 0.722 116.521 115.700 0.165 0.000 2.384 36 S HA -0.011 4.459 4.470 0.000 0.000 0.217 36 S C 1.968 176.636 174.600 0.114 0.000 1.041 36 S CA 0.757 59.032 58.200 0.125 0.000 0.948 36 S CB -0.590 62.669 63.200 0.098 0.000 0.872 36 S HN 0.891 nan 8.310 nan 0.000 0.512 37 C N 0.589 119.965 119.300 0.127 0.000 2.906 37 C HA 0.686 5.146 4.460 0.000 0.000 0.274 37 C C 1.768 176.836 174.990 0.129 0.000 1.257 37 C CA 0.106 59.183 59.018 0.097 0.000 1.695 37 C CB -0.709 27.073 27.740 0.072 0.000 1.958 37 C HN 0.848 nan 8.230 nan 0.000 0.619 38 G N 0.468 109.372 108.800 0.175 0.000 2.148 38 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 38 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 38 G C -0.158 174.872 174.900 0.217 0.000 0.981 38 G CA 0.269 45.469 45.100 0.167 0.000 0.670 38 G HN 0.781 nan 8.290 nan 0.000 0.528 39 F N 1.407 121.421 119.950 0.107 0.000 2.607 39 F HA 0.407 4.934 4.527 0.000 0.000 0.374 39 F C 1.549 177.456 175.800 0.178 0.000 1.104 39 F CA 1.016 59.083 58.000 0.112 0.000 1.296 39 F CB 0.619 39.672 39.000 0.087 0.000 1.085 39 F HN 1.178 nan 8.300 nan 0.000 0.584 40 G N 4.431 112.950 108.800 -0.468 0.000 2.176 40 G HA2 -0.356 3.604 3.960 0.000 0.000 0.253 40 G HA3 -0.356 3.604 3.960 0.000 0.000 0.253 40 G C 1.086 175.910 174.900 -0.128 0.000 0.979 40 G CA 0.601 45.462 45.100 -0.399 0.000 0.641 40 G HN 0.796 nan 8.290 nan 0.000 0.530 41 K N -0.012 120.369 120.400 -0.032 0.000 2.412 41 K HA 0.363 4.683 4.320 0.000 0.000 0.201 41 K C 0.972 177.584 176.600 0.021 0.000 1.275 41 K CA 1.172 57.461 56.287 0.003 0.000 0.910 41 K CB 0.450 32.972 32.500 0.037 0.000 1.346 41 K HN 0.820 nan 8.250 nan 0.000 0.490 42 S N -1.039 114.689 115.700 0.047 0.000 2.548 42 S HA 0.584 5.054 4.470 0.000 0.000 0.286 42 S C 0.557 175.198 174.600 0.068 0.000 1.098 42 S CA -0.354 57.873 58.200 0.046 0.000 0.930 42 S CB 1.912 65.134 63.200 0.036 0.000 1.070 42 S HN 0.214 nan 8.310 nan 0.000 0.480 43 A N 2.723 125.575 122.820 0.052 0.000 1.930 43 A HA 0.129 4.449 4.320 0.000 0.000 0.217 43 A C 1.028 178.641 177.584 0.049 0.000 1.175 43 A CA 0.884 52.958 52.037 0.062 0.000 0.627 43 A CB -0.596 18.428 19.000 0.040 0.000 0.815 43 A HN 0.829 nan 8.150 nan 0.000 0.443 44 K N 0.243 120.657 120.400 0.023 0.000 2.219 44 K HA 0.273 4.593 4.320 0.000 0.000 0.258 44 K C -0.181 176.417 176.600 -0.002 0.000 1.008 44 K CA -0.565 55.721 56.287 -0.002 0.000 0.928 44 K CB 0.414 32.899 32.500 -0.026 0.000 0.983 44 K HN 0.153 nan 8.250 nan 0.000 0.484 45 R N 2.120 122.603 120.500 -0.028 0.000 2.390 45 R HA 0.086 4.426 4.340 0.000 0.000 0.291 45 R C 0.172 176.420 176.300 -0.088 0.000 1.070 45 R CA -0.301 55.779 56.100 -0.033 0.000 1.014 45 R CB 0.734 31.008 30.300 -0.044 0.000 1.007 45 R HN 0.585 nan 8.270 nan 0.000 0.466 46 R N 2.043 122.500 120.500 -0.072 0.000 2.484 46 R HA -0.044 4.296 4.340 0.000 0.000 0.293 46 R C -0.925 175.218 176.300 -0.262 0.000 1.023 46 R CA 0.603 56.605 56.100 -0.163 0.000 1.037 46 R CB 0.225 30.518 30.300 -0.012 0.000 0.951 46 R HN 0.662 nan 8.270 nan 0.000 0.418 47 D N 3.200 123.280 120.400 -0.533 0.000 2.886 47 D HA 0.262 4.902 4.640 0.000 0.000 0.216 47 D C -1.909 173.887 176.300 -0.840 0.000 1.256 47 D CA -0.396 53.312 54.000 -0.487 0.000 0.844 47 D CB 0.802 41.424 40.800 -0.297 0.000 1.669 47 D HN 0.429 nan 8.370 nan 0.000 0.513 48 Y N 1.273 121.286 120.300 -0.478 0.000 2.545 48 Y HA 0.309 4.859 4.550 0.000 0.000 0.348 48 Y C 1.077 176.608 175.900 -0.615 0.000 1.002 48 Y CA -0.864 56.820 58.100 -0.693 0.000 1.039 48 Y CB 2.111 39.686 38.460 -1.475 0.000 1.271 48 Y HN 0.315 nan 8.280 nan 0.000 0.467 49 E N 1.846 121.903 120.200 -0.238 0.000 2.274 49 E HA -0.127 4.223 4.350 0.000 0.000 0.194 49 E C 1.544 178.131 176.600 -0.022 0.000 0.996 49 E CA 0.860 57.202 56.400 -0.097 0.000 0.840 49 E CB -0.053 29.652 29.700 0.009 0.000 0.772 49 E HN 0.827 nan 8.360 nan 0.000 0.491 50 W N 0.566 121.928 121.300 0.104 0.000 3.077 50 W HA 0.051 4.711 4.660 0.000 0.000 0.245 50 W C 0.676 177.229 176.519 0.057 0.000 1.316 50 W CA -0.085 57.297 57.345 0.060 0.000 1.537 50 W CB -0.533 28.945 29.460 0.030 0.000 1.131 50 W HN 0.032 nan 8.180 nan 0.000 0.695 51 Q N 1.813 121.605 119.800 -0.014 0.000 2.515 51 Q HA -0.019 4.321 4.340 0.000 0.000 0.212 51 Q C 0.676 176.719 176.000 0.071 0.000 0.970 51 Q CA 0.821 56.641 55.803 0.028 0.000 0.941 51 Q CB 0.052 28.694 28.738 -0.160 0.000 0.998 51 Q HN 0.242 nan 8.270 nan 0.000 0.518 52 S N -1.322 114.429 115.700 0.084 0.000 2.565 52 S HA 0.381 4.851 4.470 0.000 0.000 0.269 52 S C -0.984 173.664 174.600 0.081 0.000 1.153 52 S CA -1.250 56.989 58.200 0.065 0.000 0.835 52 S CB 1.595 64.811 63.200 0.027 0.000 1.122 52 S HN -0.174 nan 8.310 nan 0.000 0.462 53 K N 1.310 121.748 120.400 0.063 0.000 2.489 53 K HA 0.271 4.591 4.320 0.000 0.000 0.278 53 K C 1.731 178.362 176.600 0.053 0.000 1.000 53 K CA 0.585 56.906 56.287 0.058 0.000 1.012 53 K CB 0.391 32.916 32.500 0.041 0.000 0.903 53 K HN 0.854 nan 8.250 nan 0.000 0.485 54 A N 3.601 126.456 122.820 0.058 0.000 1.909 54 A HA -0.198 4.122 4.320 0.000 0.000 0.221 54 A C 1.626 179.231 177.584 0.036 0.000 1.223 54 A CA 2.349 54.417 52.037 0.052 0.000 0.658 54 A CB -0.758 18.272 19.000 0.050 0.000 0.831 54 A HN 0.758 nan 8.150 nan 0.000 0.462 55 G N -0.963 107.854 108.800 0.029 0.000 3.474 55 G HA2 0.436 4.396 3.960 0.000 0.000 0.269 55 G HA3 0.436 4.396 3.960 0.000 0.000 0.269 55 G C 0.041 174.952 174.900 0.018 0.000 1.339 55 G CA 0.563 45.676 45.100 0.021 0.000 1.258 55 G HN 0.654 nan 8.290 nan 0.000 0.560 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