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 1q7y_1_2 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 0.000 0.000 1.109 1 T CA 0.000 62.100 62.100 0.000 0.000 1.349 1 T CB 0.000 68.868 68.868 0.001 0.000 0.612 2 G N 0.821 109.621 108.800 -0.000 0.000 2.630 2 G HA2 0.435 4.395 3.960 0.000 0.000 0.236 2 G HA3 0.435 4.395 3.960 0.000 0.000 0.236 2 G C 1.017 175.917 174.900 0.000 0.000 1.248 2 G CA 0.096 45.196 45.100 -0.000 0.000 0.844 2 G HN 1.015 nan 8.290 nan 0.000 0.588 3 A N 1.154 123.974 122.820 -0.000 0.000 2.220 3 A HA 0.470 4.790 4.320 0.000 0.000 0.211 3 A C 1.787 179.371 177.584 0.000 0.000 1.176 3 A CA 1.238 53.275 52.037 0.000 0.000 0.834 3 A CB -0.180 18.819 19.000 -0.000 0.000 0.868 3 A HN 0.948 nan 8.150 nan 0.000 0.488 4 G N -0.708 108.092 108.800 -0.000 0.000 3.311 4 G HA2 0.216 4.176 3.960 0.000 0.000 0.169 4 G HA3 0.216 4.176 3.960 0.000 0.000 0.169 4 G C 1.219 176.119 174.900 0.000 0.000 1.852 4 G CA 0.993 46.093 45.100 -0.000 0.000 1.010 4 G HN 0.178 nan 8.290 nan 0.000 0.530 5 T N 2.673 117.227 114.554 0.000 0.000 2.624 5 T HA -0.118 4.232 4.350 0.000 0.000 0.268 5 T C 0.022 174.723 174.700 0.001 0.000 1.041 5 T CA 2.090 64.190 62.100 0.000 0.000 1.159 5 T CB -1.040 67.828 68.868 0.000 0.000 0.863 5 T HN 0.354 nan 8.240 nan 0.000 0.434 6 P HA 0.093 nan 4.420 nan 0.000 0.223 6 P C 1.121 178.422 177.300 0.001 0.000 1.151 6 P CA 0.906 64.007 63.100 0.001 0.000 0.787 6 P CB -0.044 31.657 31.700 0.001 0.000 0.788 7 S N -0.391 115.310 115.700 0.001 0.000 2.593 7 S HA 0.035 4.505 4.470 0.000 0.000 0.217 7 S C 1.611 176.213 174.600 0.002 0.000 0.966 7 S CA 0.310 58.511 58.200 0.002 0.000 0.914 7 S CB -0.303 62.898 63.200 0.002 0.000 0.776 7 S HN 0.142 nan 8.310 nan 0.000 0.523 8 Q N 0.367 120.169 119.800 0.002 0.000 2.425 8 Q HA 0.191 4.531 4.340 0.000 0.000 0.204 8 Q C 2.001 178.003 176.000 0.002 0.000 0.933 8 Q CA 0.422 56.226 55.803 0.002 0.000 0.939 8 Q CB -0.555 28.184 28.738 0.001 0.000 1.044 8 Q HN 0.553 nan 8.270 nan 0.000 0.513 9 G N 0.931 109.732 108.800 0.002 0.000 2.464 9 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 9 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 9 G C 1.330 176.231 174.900 0.003 0.000 1.138 9 G CA 0.048 45.149 45.100 0.002 0.000 0.793 9 G HN 0.256 nan 8.290 nan 0.000 0.539 10 K N 0.471 120.872 120.400 0.003 0.000 2.525 10 K HA 0.050 4.370 4.320 0.000 0.000 0.192 10 K C 0.414 177.016 176.600 0.004 0.000 1.029 10 K CA 0.205 56.494 56.287 0.003 0.000 1.029 10 K CB 0.143 32.645 32.500 0.004 0.000 0.814 10 K HN 0.193 nan 8.250 nan 0.000 0.503 11 K N 2.739 123.141 120.400 0.004 0.000 2.278 11 K HA 0.022 4.342 4.320 0.000 0.000 0.237 11 K C 0.182 176.784 176.600 0.003 0.000 1.229 11 K CA -0.085 56.204 56.287 0.004 0.000 1.155 11 K CB -0.156 32.347 32.500 0.004 0.000 1.590 11 K HN 0.149 nan 8.250 nan 0.000 0.290 12 N N -0.024 118.677 118.700 0.002 0.000 2.365 12 N HA 0.005 4.745 4.740 0.000 0.000 0.257 12 N C -0.748 174.762 175.510 -0.000 0.000 1.287 12 N CA -0.414 52.637 53.050 0.002 0.000 0.882 12 N CB 0.665 39.153 38.487 0.002 0.000 1.250 12 N HN -0.094 nan 8.380 nan 0.000 0.507 13 T N 0.178 114.730 114.554 -0.002 0.000 2.907 13 T HA 0.401 4.751 4.350 0.000 0.000 0.284 13 T C -0.320 174.369 174.700 -0.019 0.000 1.004 13 T CA 0.015 62.110 62.100 -0.009 0.000 1.063 13 T CB 1.612 70.475 68.868 -0.008 0.000 0.992 13 T HN 0.032 nan 8.240 nan 0.000 0.483 14 T N 2.096 116.633 114.554 -0.029 0.000 2.794 14 T HA 0.531 4.881 4.350 0.000 0.000 0.280 14 T C 1.072 175.708 174.700 -0.107 0.000 0.987 14 T CA -0.591 61.484 62.100 -0.042 0.000 0.993 14 T CB 1.292 70.149 68.868 -0.017 0.000 0.939 14 T HN 0.871 nan 8.240 nan 0.000 0.449 15 T N -0.663 113.782 114.554 -0.181 0.000 3.425 15 T HA 0.197 4.547 4.350 0.000 0.000 0.225 15 T C 0.346 174.731 174.700 -0.525 0.000 0.992 15 T CA -0.253 61.544 62.100 -0.505 0.000 1.174 15 T CB -0.142 68.363 68.868 -0.606 0.000 1.240 15 T HN 0.552 nan 8.240 nan 0.000 0.350 16 H N 3.122 122.031 119.070 -0.269 0.000 2.646 16 H HA 0.547 5.103 4.556 0.000 0.000 0.325 16 H C 0.033 175.355 175.328 -0.010 0.000 1.075 16 H CA 0.701 56.688 56.048 -0.101 0.000 1.421 16 H CB 0.950 30.687 29.762 -0.042 0.000 1.461 16 H HN 0.691 nan 8.280 nan 0.000 0.525 17 T N -0.206 114.443 114.554 0.158 0.000 2.896 17 T HA 0.238 4.588 4.350 0.000 0.000 0.297 17 T C -0.172 174.648 174.700 0.200 0.000 1.108 17 T CA -1.344 60.853 62.100 0.163 0.000 1.004 17 T CB 2.269 71.237 68.868 0.167 0.000 1.159 17 T HN 0.393 nan 8.240 nan 0.000 0.499 18 K N 1.096 121.573 120.400 0.129 0.000 2.405 18 K HA 0.122 4.442 4.320 0.000 0.000 0.273 18 K C 0.076 176.718 176.600 0.070 0.000 1.116 18 K CA -0.268 56.072 56.287 0.088 0.000 1.155 18 K CB -0.629 31.898 32.500 0.044 0.000 0.858 18 K HN 0.742 nan 8.250 nan 0.000 0.477 19 C N 6.245 125.587 119.300 0.070 0.000 2.663 19 C HA 0.103 4.563 4.460 0.000 0.000 0.398 19 C C 1.966 176.846 174.990 -0.184 0.000 1.356 19 C CA -0.340 58.665 59.018 -0.021 0.000 1.629 19 C CB -0.844 26.936 27.740 0.068 0.000 2.402 19 C HN 1.078 nan 8.230 nan 0.000 0.598 20 R N 2.995 123.295 120.500 -0.334 0.000 2.140 20 R HA -0.181 4.159 4.340 0.000 0.000 0.250 20 R C 2.419 178.433 176.300 -0.477 0.000 1.150 20 R CA 2.126 57.992 56.100 -0.390 0.000 0.966 20 R CB -0.205 29.805 30.300 -0.484 0.000 0.869 20 R HN 0.819 nan 8.270 nan 0.000 0.445 21 R N -0.193 119.894 120.500 -0.689 0.000 2.052 21 R HA -0.107 4.233 4.340 0.000 0.000 0.224 21 R C 2.473 178.618 176.300 -0.259 0.000 1.165 21 R CA 1.839 57.584 56.100 -0.592 0.000 0.939 21 R CB -0.328 29.543 30.300 -0.716 0.000 0.834 21 R HN 0.521 nan 8.270 nan 0.000 0.435 22 C N -1.407 117.807 119.300 -0.142 0.000 2.673 22 C HA 0.461 4.921 4.460 0.000 0.000 0.264 22 C C 1.442 176.404 174.990 -0.046 0.000 1.304 22 C CA 0.020 58.999 59.018 -0.065 0.000 1.727 22 C CB -0.208 27.529 27.740 -0.005 0.000 1.932 22 C HN 0.777 nan 8.230 nan 0.000 0.563 23 G N 0.689 109.456 108.800 -0.054 0.000 2.148 23 G HA2 -0.164 3.796 3.960 0.000 0.000 0.254 23 G HA3 -0.164 3.796 3.960 0.000 0.000 0.254 23 G C -0.264 174.639 174.900 0.006 0.000 0.981 23 G CA 0.519 45.601 45.100 -0.031 0.000 0.670 23 G HN 0.644 nan 8.290 nan 0.000 0.528 24 E N -0.284 119.934 120.200 0.031 0.000 2.250 24 E HA 0.347 4.697 4.350 0.000 0.000 0.269 24 E C 0.549 177.199 176.600 0.084 0.000 1.018 24 E CA -0.803 55.629 56.400 0.053 0.000 0.873 24 E CB 1.077 30.816 29.700 0.065 0.000 1.134 24 E HN 0.282 nan 8.360 nan 0.000 0.403 25 K N 0.977 121.429 120.400 0.086 0.000 3.226 25 K HA 0.122 4.442 4.320 0.000 0.000 0.268 25 K C -0.258 176.447 176.600 0.176 0.000 1.217 25 K CA 0.113 56.468 56.287 0.113 0.000 1.242 25 K CB -0.240 32.306 32.500 0.076 0.000 1.389 25 K HN 0.164 nan 8.250 nan 0.000 0.406 26 S N 0.130 115.969 115.700 0.232 0.000 2.603 26 S HA 0.019 4.489 4.470 0.000 0.000 0.232 26 S C -0.487 174.360 174.600 0.412 0.000 1.016 26 S CA -0.513 57.903 58.200 0.360 0.000 0.976 26 S CB -0.097 63.266 63.200 0.271 0.000 0.921 26 S HN 0.423 nan 8.310 nan 0.000 0.516 27 Y N 3.820 124.230 120.300 0.184 0.000 2.584 27 Y HA 0.241 4.791 4.550 0.000 0.000 0.351 27 Y C 0.380 176.326 175.900 0.076 0.000 1.030 27 Y CA -1.273 56.917 58.100 0.150 0.000 1.332 27 Y CB -0.423 38.129 38.460 0.152 0.000 1.148 27 Y HN 0.267 nan 8.280 nan 0.000 0.528 28 H N 4.389 123.213 119.070 -0.409 0.000 3.089 28 H HA 0.051 4.607 4.556 0.000 0.000 0.262 28 H C 1.428 176.403 175.328 -0.589 0.000 1.160 28 H CA 0.399 56.112 56.048 -0.559 0.000 1.482 28 H CB 0.795 30.200 29.762 -0.596 0.000 1.511 28 H HN 0.874 nan 8.280 nan 0.000 0.483 29 T N 3.551 117.952 114.554 -0.255 0.000 2.996 29 T HA -0.101 4.249 4.350 0.000 0.000 0.271 29 T C 1.629 176.293 174.700 -0.059 0.000 1.126 29 T CA 1.231 63.239 62.100 -0.154 0.000 1.103 29 T CB -0.079 68.777 68.868 -0.020 0.000 0.870 29 T HN 0.581 nan 8.240 nan 0.000 0.528 30 K N 0.304 120.770 120.400 0.109 0.000 2.242 30 K HA 0.156 4.476 4.320 0.000 0.000 0.200 30 K C 1.912 178.474 176.600 -0.063 0.000 1.050 30 K CA 0.591 56.921 56.287 0.072 0.000 0.981 30 K CB 0.152 32.752 32.500 0.167 0.000 0.795 30 K HN 0.345 nan 8.250 nan 0.000 0.477 31 K N 0.897 121.192 120.400 -0.176 0.000 2.367 31 K HA 0.090 4.411 4.320 0.000 0.000 0.194 31 K C -0.258 176.161 176.600 -0.302 0.000 1.027 31 K CA -0.135 55.950 56.287 -0.336 0.000 1.075 31 K CB 0.427 32.582 32.500 -0.575 0.000 0.845 31 K HN -0.149 nan 8.250 nan 0.000 0.529 32 K N 0.852 121.004 120.400 -0.414 0.000 3.311 32 K HA -0.164 4.156 4.320 0.000 0.000 0.270 32 K C -0.923 175.472 176.600 -0.342 0.000 0.927 32 K CA 0.545 56.524 56.287 -0.513 0.000 0.706 32 K CB -2.057 30.380 32.500 -0.104 0.000 1.418 32 K HN 0.051 nan 8.250 nan 0.000 0.459 33 V N -0.294 119.350 119.914 -0.449 0.000 2.817 33 V HA 0.163 4.283 4.120 0.000 0.000 0.303 33 V C -0.043 176.088 176.094 0.061 0.000 1.151 33 V CA -1.243 61.011 62.300 -0.077 0.000 0.929 33 V CB 2.400 34.164 31.823 -0.099 0.000 1.030 33 V HN 0.502 nan 8.190 nan 0.000 0.427 34 C N 3.652 123.142 119.300 0.317 0.000 2.435 34 C HA 0.477 4.937 4.460 0.000 0.000 0.375 34 C C 1.961 177.097 174.990 0.243 0.000 1.281 34 C CA 0.499 59.737 59.018 0.366 0.000 1.963 34 C CB 0.783 28.783 27.740 0.433 0.000 2.490 34 C HN 1.168 nan 8.230 nan 0.000 0.557 35 S N 3.132 118.987 115.700 0.258 0.000 2.562 35 S HA -0.038 4.432 4.470 0.000 0.000 0.221 35 S C 1.460 176.184 174.600 0.206 0.000 0.975 35 S CA 1.185 59.528 58.200 0.238 0.000 0.918 35 S CB -0.018 63.374 63.200 0.319 0.000 0.772 35 S HN 0.818 nan 8.310 nan 0.000 0.531 36 S N 0.314 116.133 115.700 0.197 0.000 2.510 36 S HA 0.071 4.541 4.470 0.000 0.000 0.230 36 S C 1.793 176.473 174.600 0.133 0.000 1.066 36 S CA 0.582 58.873 58.200 0.153 0.000 0.941 36 S CB -0.270 63.008 63.200 0.131 0.000 0.829 36 S HN 0.874 nan 8.310 nan 0.000 0.530 37 C N 0.351 119.739 119.300 0.147 0.000 3.038 37 C HA 0.682 5.142 4.460 0.000 0.000 0.279 37 C C 1.839 176.921 174.990 0.153 0.000 1.276 37 C CA 0.161 59.254 59.018 0.125 0.000 1.697 37 C CB -0.555 27.257 27.740 0.120 0.000 2.032 37 C HN 0.730 nan 8.230 nan 0.000 0.636 38 G N 0.605 109.513 108.800 0.179 0.000 2.189 38 G HA2 -0.323 3.637 3.960 0.000 0.000 0.267 38 G HA3 -0.323 3.637 3.960 0.000 0.000 0.267 38 G C -0.097 174.908 174.900 0.175 0.000 0.975 38 G CA 0.382 45.575 45.100 0.156 0.000 0.644 38 G HN 0.805 nan 8.290 nan 0.000 0.537 39 F N 1.540 121.550 119.950 0.102 0.000 2.623 39 F HA 0.374 4.901 4.527 0.000 0.000 0.383 39 F C 1.564 177.467 175.800 0.170 0.000 1.077 39 F CA 1.419 59.477 58.000 0.096 0.000 1.268 39 F CB 0.469 39.501 39.000 0.053 0.000 1.053 39 F HN 1.167 nan 8.300 nan 0.000 0.571 40 G N 4.137 112.551 108.800 -0.643 0.000 2.194 40 G HA2 -0.330 3.630 3.960 0.000 0.000 0.236 40 G HA3 -0.330 3.630 3.960 0.000 0.000 0.236 40 G C 0.847 175.648 174.900 -0.165 0.000 0.987 40 G CA 0.538 45.400 45.100 -0.397 0.000 0.635 40 G HN 0.834 nan 8.290 nan 0.000 0.520 41 K N -0.496 119.847 120.400 -0.096 0.000 2.550 41 K HA 0.465 4.785 4.320 0.000 0.000 0.225 41 K C 0.811 177.398 176.600 -0.022 0.000 1.361 41 K CA 0.729 56.994 56.287 -0.037 0.000 0.801 41 K CB 0.403 32.908 32.500 0.009 0.000 1.698 41 K HN 0.378 nan 8.250 nan 0.000 0.411 42 S N -0.151 115.553 115.700 0.007 0.000 2.451 42 S HA 0.517 4.987 4.470 0.000 0.000 0.301 42 S C 0.569 175.190 174.600 0.035 0.000 1.116 42 S CA -0.154 58.056 58.200 0.016 0.000 1.093 42 S CB 1.671 64.883 63.200 0.020 0.000 1.017 42 S HN 0.418 nan 8.310 nan 0.000 0.482 43 A N 5.373 128.208 122.820 0.026 0.000 1.877 43 A HA 0.063 4.383 4.320 0.000 0.000 0.216 43 A C 0.982 178.592 177.584 0.043 0.000 1.186 43 A CA 1.098 53.161 52.037 0.044 0.000 0.620 43 A CB -0.531 18.484 19.000 0.025 0.000 0.822 43 A HN 0.813 nan 8.150 nan 0.000 0.443 44 K N 0.668 121.078 120.400 0.016 0.000 2.436 44 K HA 0.149 4.469 4.320 0.000 0.000 0.275 44 K C -0.193 176.407 176.600 0.001 0.000 0.999 44 K CA -0.251 56.034 56.287 -0.004 0.000 0.980 44 K CB 0.395 32.878 32.500 -0.028 0.000 0.919 44 K HN 0.195 nan 8.250 nan 0.000 0.484 45 R N 2.994 123.487 120.500 -0.011 0.000 2.316 45 R HA 0.037 4.377 4.340 0.000 0.000 0.314 45 R C 0.170 176.437 176.300 -0.056 0.000 1.069 45 R CA -0.217 55.879 56.100 -0.007 0.000 0.959 45 R CB 0.636 30.928 30.300 -0.014 0.000 0.987 45 R HN 0.620 nan 8.270 nan 0.000 0.446 46 R N 2.286 122.767 120.500 -0.032 0.000 2.523 46 R HA -0.153 4.188 4.340 0.000 0.000 0.281 46 R C -0.870 175.320 176.300 -0.182 0.000 0.969 46 R CA 0.963 57.009 56.100 -0.090 0.000 1.093 46 R CB 0.207 30.539 30.300 0.053 0.000 0.917 46 R HN 0.597 nan 8.270 nan 0.000 0.408 47 D N 2.660 122.790 120.400 -0.449 0.000 2.769 47 D HA 0.304 4.944 4.640 0.000 0.000 0.219 47 D C -1.993 173.766 176.300 -0.901 0.000 1.245 47 D CA -0.366 53.361 54.000 -0.456 0.000 0.801 47 D CB 0.721 41.355 40.800 -0.277 0.000 1.598 47 D HN 0.431 nan 8.370 nan 0.000 0.485 48 Y N 0.957 120.978 120.300 -0.465 0.000 2.504 48 Y HA 0.283 4.833 4.550 0.000 0.000 0.344 48 Y C 0.900 176.439 175.900 -0.601 0.000 1.023 48 Y CA -0.828 56.867 58.100 -0.674 0.000 1.020 48 Y CB 2.168 39.735 38.460 -1.487 0.000 1.282 48 Y HN 0.260 nan 8.280 nan 0.000 0.454 49 E N 2.091 122.159 120.200 -0.221 0.000 2.472 49 E HA -0.116 4.234 4.350 0.000 0.000 0.200 49 E C 1.143 177.766 176.600 0.038 0.000 1.046 49 E CA 0.729 57.085 56.400 -0.074 0.000 0.871 49 E CB 0.005 29.713 29.700 0.014 0.000 0.806 49 E HN 0.833 nan 8.360 nan 0.000 0.533 50 W N 0.000 121.367 121.300 0.111 0.000 3.290 50 W HA 0.163 4.823 4.660 0.000 0.000 0.287 50 W C 0.873 177.430 176.519 0.063 0.000 1.288 50 W CA -0.285 57.102 57.345 0.069 0.000 1.725 50 W CB -0.321 29.167 29.460 0.047 0.000 1.103 50 W HN 0.001 nan 8.180 nan 0.000 0.670 51 Q N 1.793 121.609 119.800 0.027 0.000 2.436 51 Q HA -0.047 4.293 4.340 0.000 0.000 0.209 51 Q C 1.096 177.156 176.000 0.101 0.000 0.965 51 Q CA 1.126 56.966 55.803 0.062 0.000 0.910 51 Q CB 0.176 28.836 28.738 -0.130 0.000 0.980 51 Q HN 0.208 nan 8.270 nan 0.000 0.491 52 S N -0.782 114.972 115.700 0.090 0.000 2.667 52 S HA 0.438 4.908 4.470 0.000 0.000 0.292 52 S C -0.599 174.057 174.600 0.094 0.000 1.126 52 S CA -1.153 57.091 58.200 0.074 0.000 0.881 52 S CB 1.922 65.143 63.200 0.035 0.000 1.132 52 S HN -0.195 nan 8.310 nan 0.000 0.492 53 K N 1.053 121.495 120.400 0.071 0.000 2.448 53 K HA 0.304 4.624 4.320 0.000 0.000 0.278 53 K C 1.611 178.247 176.600 0.061 0.000 1.009 53 K CA 0.452 56.779 56.287 0.066 0.000 0.995 53 K CB 0.550 33.078 32.500 0.047 0.000 0.917 53 K HN 0.827 nan 8.250 nan 0.000 0.481 54 A N 3.133 125.993 122.820 0.067 0.000 1.971 54 A HA -0.185 4.135 4.320 0.000 0.000 0.222 54 A C 1.592 179.201 177.584 0.042 0.000 1.182 54 A CA 2.329 54.402 52.037 0.060 0.000 0.649 54 A CB -0.551 18.483 19.000 0.057 0.000 0.818 54 A HN 0.750 nan 8.150 nan 0.000 0.458 55 G N -1.251 107.569 108.800 0.034 0.000 3.591 55 G HA2 0.447 4.407 3.960 0.000 0.000 0.282 55 G HA3 0.447 4.407 3.960 0.000 0.000 0.282 55 G C 0.032 174.945 174.900 0.021 0.000 1.238 55 G CA 0.541 45.656 45.100 0.025 0.000 0.993 55 G HN 0.617 nan 8.290 nan 0.000 0.542 56 E N 0.000 120.214 120.200 0.023 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.410 56.400 0.018 0.000 0.000 56 E CB 0.000 29.712 29.700 0.020 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000