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 1yhq_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 0.717 109.518 108.800 0.001 0.000 2.441 2 G HA2 0.472 4.432 3.960 0.000 0.000 0.243 2 G HA3 0.472 4.432 3.960 0.000 0.000 0.243 2 G C 1.064 175.965 174.900 0.001 0.000 1.281 2 G CA -0.054 45.047 45.100 0.001 0.000 0.854 2 G HN 1.039 nan 8.290 nan 0.000 0.560 3 A N 2.106 124.927 122.820 0.001 0.000 2.168 3 A HA 0.296 4.616 4.320 0.000 0.000 0.215 3 A C 1.890 179.475 177.584 0.002 0.000 1.152 3 A CA 1.514 53.551 52.037 0.002 0.000 0.716 3 A CB -0.321 18.680 19.000 0.001 0.000 0.794 3 A HN 0.892 nan 8.150 nan 0.000 0.465 4 G N -1.104 107.697 108.800 0.002 0.000 3.311 4 G HA2 0.211 4.171 3.960 0.000 0.000 0.169 4 G HA3 0.211 4.171 3.960 0.000 0.000 0.169 4 G C 1.217 176.118 174.900 0.003 0.000 1.852 4 G CA 0.891 45.992 45.100 0.002 0.000 1.010 4 G HN 0.206 nan 8.290 nan 0.000 0.530 5 T N 2.669 117.225 114.554 0.002 0.000 2.620 5 T HA -0.128 4.222 4.350 0.000 0.000 0.267 5 T C 0.098 174.799 174.700 0.003 0.000 1.044 5 T CA 2.134 64.236 62.100 0.003 0.000 1.161 5 T CB -1.102 67.767 68.868 0.002 0.000 0.862 5 T HN 0.350 nan 8.240 nan 0.000 0.438 6 P HA 0.021 nan 4.420 nan 0.000 0.218 6 P C 1.281 178.583 177.300 0.003 0.000 1.148 6 P CA 1.067 64.168 63.100 0.002 0.000 0.822 6 P CB -0.114 31.587 31.700 0.002 0.000 0.784 7 S N -0.497 115.204 115.700 0.003 0.000 2.603 7 S HA 0.008 4.478 4.470 0.000 0.000 0.220 7 S C 1.697 176.299 174.600 0.005 0.000 0.967 7 S CA 0.392 58.594 58.200 0.004 0.000 0.920 7 S CB -0.355 62.847 63.200 0.004 0.000 0.773 7 S HN 0.167 nan 8.310 nan 0.000 0.529 8 Q N 0.513 120.316 119.800 0.005 0.000 2.331 8 Q HA 0.157 4.497 4.340 0.000 0.000 0.203 8 Q C 2.190 178.193 176.000 0.005 0.000 0.944 8 Q CA 0.669 56.475 55.803 0.005 0.000 0.892 8 Q CB -0.849 27.892 28.738 0.005 0.000 0.983 8 Q HN 0.556 nan 8.270 nan 0.000 0.482 9 G N 1.428 110.231 108.800 0.004 0.000 2.448 9 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 9 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 9 G C 1.287 176.189 174.900 0.004 0.000 1.127 9 G CA 0.388 45.490 45.100 0.004 0.000 0.766 9 G HN 0.305 nan 8.290 nan 0.000 0.552 10 K N 0.268 120.670 120.400 0.004 0.000 2.487 10 K HA 0.092 4.412 4.320 0.000 0.000 0.192 10 K C 0.356 176.958 176.600 0.004 0.000 1.027 10 K CA 0.073 56.362 56.287 0.003 0.000 1.054 10 K CB 0.291 32.794 32.500 0.003 0.000 0.824 10 K HN 0.164 nan 8.250 nan 0.000 0.510 11 K N 2.888 123.290 120.400 0.005 0.000 2.111 11 K HA 0.034 4.354 4.320 0.000 0.000 0.249 11 K C 0.060 176.662 176.600 0.003 0.000 1.157 11 K CA -0.103 56.187 56.287 0.005 0.000 1.048 11 K CB -0.074 32.431 32.500 0.008 0.000 1.498 11 K HN 0.159 nan 8.250 nan 0.000 0.344 12 N N 0.226 118.927 118.700 0.001 0.000 2.451 12 N HA 0.009 4.749 4.740 0.000 0.000 0.271 12 N C -0.854 174.653 175.510 -0.005 0.000 1.410 12 N CA -0.466 52.584 53.050 -0.000 0.000 0.884 12 N CB 0.709 39.196 38.487 0.001 0.000 1.332 12 N HN -0.060 nan 8.380 nan 0.000 0.498 13 T N 0.289 114.837 114.554 -0.008 0.000 2.829 13 T HA 0.369 4.719 4.350 0.000 0.000 0.282 13 T C -0.296 174.384 174.700 -0.034 0.000 0.990 13 T CA -0.044 62.044 62.100 -0.019 0.000 1.028 13 T CB 1.563 70.421 68.868 -0.018 0.000 0.951 13 T HN 0.036 nan 8.240 nan 0.000 0.460 14 T N 2.785 117.312 114.554 -0.045 0.000 2.767 14 T HA 0.448 4.798 4.350 0.000 0.000 0.288 14 T C 1.216 175.829 174.700 -0.146 0.000 0.963 14 T CA -0.515 61.546 62.100 -0.066 0.000 1.019 14 T CB 0.943 69.787 68.868 -0.040 0.000 0.923 14 T HN 0.867 nan 8.240 nan 0.000 0.468 15 T N -0.270 114.140 114.554 -0.240 0.000 3.447 15 T HA 0.173 4.523 4.350 0.000 0.000 0.218 15 T C 0.440 174.769 174.700 -0.618 0.000 0.972 15 T CA -0.312 61.430 62.100 -0.596 0.000 1.264 15 T CB -0.194 68.179 68.868 -0.825 0.000 1.284 15 T HN 0.535 nan 8.240 nan 0.000 0.361 16 H N 3.465 122.358 119.070 -0.295 0.000 2.848 16 H HA 0.481 5.037 4.556 0.000 0.000 0.317 16 H C 0.382 175.696 175.328 -0.023 0.000 1.046 16 H CA 0.884 56.859 56.048 -0.122 0.000 1.470 16 H CB 0.470 30.205 29.762 -0.045 0.000 1.483 16 H HN 0.733 nan 8.280 nan 0.000 0.548 17 T N -0.175 114.470 114.554 0.152 0.000 2.887 17 T HA 0.320 4.670 4.350 0.000 0.000 0.292 17 T C -0.018 174.802 174.700 0.199 0.000 1.087 17 T CA -1.364 60.830 62.100 0.156 0.000 1.009 17 T CB 2.229 71.187 68.868 0.150 0.000 1.203 17 T HN 0.300 nan 8.240 nan 0.000 0.518 18 K N 0.506 120.984 120.400 0.131 0.000 2.491 18 K HA 0.194 4.514 4.320 0.000 0.000 0.279 18 K C -0.161 176.495 176.600 0.095 0.000 1.026 18 K CA -0.246 56.096 56.287 0.092 0.000 1.070 18 K CB -0.439 32.090 32.500 0.048 0.000 0.887 18 K HN 0.781 nan 8.250 nan 0.000 0.481 19 C N 6.230 125.576 119.300 0.076 0.000 2.435 19 C HA 0.307 4.767 4.460 0.000 0.000 0.375 19 C C 1.835 176.734 174.990 -0.151 0.000 1.281 19 C CA -0.641 58.378 59.018 0.001 0.000 1.963 19 C CB 0.056 27.853 27.740 0.096 0.000 2.490 19 C HN 1.115 nan 8.230 nan 0.000 0.557 20 R N 2.589 122.921 120.500 -0.280 0.000 2.091 20 R HA -0.124 4.216 4.340 0.000 0.000 0.238 20 R C 2.424 178.461 176.300 -0.439 0.000 1.136 20 R CA 1.826 57.736 56.100 -0.316 0.000 0.959 20 R CB -0.230 29.889 30.300 -0.301 0.000 0.856 20 R HN 0.835 nan 8.270 nan 0.000 0.437 21 R N -0.003 120.068 120.500 -0.715 0.000 2.080 21 R HA -0.085 4.255 4.340 0.000 0.000 0.222 21 R C 2.245 178.365 176.300 -0.300 0.000 1.107 21 R CA 1.670 57.382 56.100 -0.646 0.000 0.980 21 R CB -0.082 29.604 30.300 -1.024 0.000 0.879 21 R HN 0.495 nan 8.270 nan 0.000 0.439 22 C N -2.549 116.636 119.300 -0.191 0.000 3.230 22 C HA 0.525 4.985 4.460 0.000 0.000 0.300 22 C C 1.508 176.462 174.990 -0.059 0.000 1.292 22 C CA 0.222 59.186 59.018 -0.091 0.000 1.707 22 C CB 0.327 28.048 27.740 -0.032 0.000 2.181 22 C HN 0.653 nan 8.230 nan 0.000 0.655 23 G N 0.767 109.531 108.800 -0.060 0.000 2.199 23 G HA2 -0.168 3.792 3.960 0.000 0.000 0.254 23 G HA3 -0.168 3.792 3.960 0.000 0.000 0.254 23 G C -0.222 174.679 174.900 0.002 0.000 0.982 23 G CA 0.494 45.574 45.100 -0.033 0.000 0.632 23 G HN 0.624 nan 8.290 nan 0.000 0.529 24 E N 0.309 120.522 120.200 0.022 0.000 2.349 24 E HA 0.296 4.646 4.350 0.000 0.000 0.265 24 E C 0.471 177.116 176.600 0.076 0.000 1.064 24 E CA -0.578 55.848 56.400 0.043 0.000 0.886 24 E CB 0.991 30.720 29.700 0.049 0.000 1.036 24 E HN 0.349 nan 8.360 nan 0.000 0.413 25 K N 1.391 121.834 120.400 0.071 0.000 2.480 25 K HA 0.125 4.445 4.320 0.000 0.000 0.241 25 K C -0.345 176.335 176.600 0.133 0.000 1.261 25 K CA 0.142 56.488 56.287 0.098 0.000 1.193 25 K CB -0.278 32.264 32.500 0.069 0.000 1.598 25 K HN 0.189 nan 8.250 nan 0.000 0.278 26 S N 1.012 116.829 115.700 0.195 0.000 2.847 26 S HA 0.009 4.480 4.470 0.000 0.000 0.254 26 S C -0.760 174.097 174.600 0.428 0.000 1.039 26 S CA -0.495 57.861 58.200 0.259 0.000 1.113 26 S CB -0.017 63.274 63.200 0.152 0.000 1.092 26 S HN 0.497 nan 8.310 nan 0.000 0.620 27 Y N 3.733 124.170 120.300 0.229 0.000 2.584 27 Y HA 0.303 4.853 4.550 0.000 0.000 0.351 27 Y C 0.345 176.334 175.900 0.149 0.000 1.030 27 Y CA -1.076 57.150 58.100 0.209 0.000 1.332 27 Y CB -0.369 38.201 38.460 0.183 0.000 1.148 27 Y HN 0.254 nan 8.280 nan 0.000 0.528 28 H N 4.233 123.124 119.070 -0.299 0.000 3.086 28 H HA 0.038 4.594 4.556 0.000 0.000 0.265 28 H C 1.404 176.419 175.328 -0.522 0.000 1.092 28 H CA 0.629 56.406 56.048 -0.452 0.000 1.487 28 H CB 0.834 30.345 29.762 -0.419 0.000 1.514 28 H HN 0.851 nan 8.280 nan 0.000 0.497 29 T N 3.699 118.079 114.554 -0.291 0.000 3.098 29 T HA -0.070 4.280 4.350 0.000 0.000 0.266 29 T C 1.642 176.308 174.700 -0.056 0.000 1.145 29 T CA 1.054 63.062 62.100 -0.154 0.000 1.092 29 T CB -0.074 68.769 68.868 -0.041 0.000 0.908 29 T HN 0.544 nan 8.240 nan 0.000 0.526 30 K N 0.486 120.945 120.400 0.098 0.000 2.202 30 K HA 0.164 4.484 4.320 0.000 0.000 0.201 30 K C 2.088 178.684 176.600 -0.007 0.000 1.051 30 K CA 0.668 57.011 56.287 0.094 0.000 0.977 30 K CB 0.064 32.672 32.500 0.179 0.000 0.792 30 K HN 0.339 nan 8.250 nan 0.000 0.469 31 K N 0.727 121.086 120.400 -0.068 0.000 2.314 31 K HA 0.062 4.382 4.320 0.000 0.000 0.198 31 K C -0.094 176.382 176.600 -0.207 0.000 1.045 31 K CA 0.016 56.166 56.287 -0.227 0.000 0.988 31 K CB 0.304 32.559 32.500 -0.410 0.000 0.783 31 K HN -0.155 nan 8.250 nan 0.000 0.484 32 K N 0.419 120.630 120.400 -0.315 0.000 3.125 32 K HA -0.125 4.195 4.320 0.000 0.000 0.268 32 K C -1.140 175.254 176.600 -0.343 0.000 1.078 32 K CA 0.402 56.426 56.287 -0.439 0.000 0.775 32 K CB -2.313 30.122 32.500 -0.107 0.000 1.253 32 K HN 0.062 nan 8.250 nan 0.000 0.486 33 V N 0.096 119.782 119.914 -0.380 0.000 2.733 33 V HA 0.228 4.348 4.120 0.000 0.000 0.306 33 V C 0.059 176.191 176.094 0.062 0.000 1.084 33 V CA -1.188 61.069 62.300 -0.071 0.000 0.905 33 V CB 2.429 34.223 31.823 -0.048 0.000 1.010 33 V HN 0.447 nan 8.190 nan 0.000 0.424 34 C N 4.165 123.651 119.300 0.310 0.000 2.394 34 C HA 0.385 4.845 4.460 0.000 0.000 0.362 34 C C 2.004 177.150 174.990 0.260 0.000 1.268 34 C CA 0.366 59.610 59.018 0.377 0.000 1.828 34 C CB 0.314 28.336 27.740 0.470 0.000 2.442 34 C HN 1.123 nan 8.230 nan 0.000 0.549 35 S N 3.386 119.242 115.700 0.259 0.000 2.481 35 S HA -0.102 4.368 4.470 0.000 0.000 0.231 35 S C 1.717 176.421 174.600 0.173 0.000 0.996 35 S CA 1.427 59.752 58.200 0.208 0.000 0.942 35 S CB -0.164 63.157 63.200 0.202 0.000 0.768 35 S HN 0.873 nan 8.310 nan 0.000 0.520 36 S N 0.615 116.413 115.700 0.164 0.000 2.412 36 S HA -0.007 4.463 4.470 0.000 0.000 0.223 36 S C 1.946 176.616 174.600 0.115 0.000 1.048 36 S CA 0.732 59.008 58.200 0.126 0.000 0.954 36 S CB -0.497 62.761 63.200 0.097 0.000 0.840 36 S HN 0.887 nan 8.310 nan 0.000 0.503 37 C N 0.096 119.476 119.300 0.132 0.000 3.038 37 C HA 0.711 5.171 4.460 0.000 0.000 0.279 37 C C 1.858 176.928 174.990 0.135 0.000 1.276 37 C CA 0.268 59.348 59.018 0.103 0.000 1.697 37 C CB -0.521 27.266 27.740 0.079 0.000 2.032 37 C HN 0.855 nan 8.230 nan 0.000 0.636 38 G N 0.509 109.418 108.800 0.182 0.000 2.179 38 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 38 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 38 G C -0.113 174.924 174.900 0.227 0.000 0.977 38 G CA 0.263 45.468 45.100 0.176 0.000 0.641 38 G HN 0.802 nan 8.290 nan 0.000 0.533 39 F N 1.789 121.808 119.950 0.114 0.000 2.612 39 F HA 0.375 4.902 4.527 0.000 0.000 0.389 39 F C 1.586 177.500 175.800 0.190 0.000 1.055 39 F CA 1.586 59.658 58.000 0.120 0.000 1.232 39 F CB 0.456 39.513 39.000 0.095 0.000 1.044 39 F HN 1.209 nan 8.300 nan 0.000 0.560 40 G N 4.440 113.024 108.800 -0.360 0.000 2.234 40 G HA2 -0.332 3.628 3.960 0.000 0.000 0.235 40 G HA3 -0.332 3.628 3.960 0.000 0.000 0.235 40 G C 1.127 175.966 174.900 -0.101 0.000 0.997 40 G CA 0.444 45.364 45.100 -0.300 0.000 0.623 40 G HN 0.758 nan 8.290 nan 0.000 0.514 41 K N 0.413 120.804 120.400 -0.017 0.000 2.325 41 K HA 0.379 4.699 4.320 0.000 0.000 0.203 41 K C 0.959 177.572 176.600 0.022 0.000 1.128 41 K CA 1.297 57.590 56.287 0.011 0.000 0.931 41 K CB 0.384 32.913 32.500 0.047 0.000 1.125 41 K HN 0.800 nan 8.250 nan 0.000 0.487 42 S N -1.228 114.500 115.700 0.048 0.000 2.549 42 S HA 0.578 5.048 4.470 0.000 0.000 0.280 42 S C 0.463 175.104 174.600 0.068 0.000 1.109 42 S CA -0.477 57.751 58.200 0.046 0.000 0.905 42 S CB 1.853 65.076 63.200 0.039 0.000 1.081 42 S HN 0.192 nan 8.310 nan 0.000 0.477 43 A N 2.225 125.077 122.820 0.053 0.000 1.930 43 A HA 0.114 4.434 4.320 0.000 0.000 0.217 43 A C 1.015 178.630 177.584 0.052 0.000 1.175 43 A CA 0.893 52.968 52.037 0.064 0.000 0.627 43 A CB -0.573 18.453 19.000 0.042 0.000 0.815 43 A HN 0.805 nan 8.150 nan 0.000 0.443 44 K N 0.482 120.898 120.400 0.026 0.000 2.258 44 K HA 0.223 4.543 4.320 0.000 0.000 0.264 44 K C -0.214 176.386 176.600 0.001 0.000 1.007 44 K CA -0.493 55.794 56.287 0.001 0.000 0.941 44 K CB 0.438 32.925 32.500 -0.021 0.000 0.966 44 K HN 0.177 nan 8.250 nan 0.000 0.480 45 R N 2.466 122.952 120.500 -0.023 0.000 2.389 45 R HA 0.058 4.398 4.340 0.000 0.000 0.295 45 R C 0.228 176.476 176.300 -0.085 0.000 1.075 45 R CA -0.182 55.900 56.100 -0.031 0.000 1.005 45 R CB 0.612 30.887 30.300 -0.042 0.000 0.987 45 R HN 0.577 nan 8.270 nan 0.000 0.452 46 R N 2.091 122.553 120.500 -0.063 0.000 2.502 46 R HA -0.088 4.252 4.340 0.000 0.000 0.292 46 R C -0.816 175.326 176.300 -0.263 0.000 0.998 46 R CA 0.817 56.832 56.100 -0.142 0.000 1.056 46 R CB 0.239 30.546 30.300 0.012 0.000 0.939 46 R HN 0.581 nan 8.270 nan 0.000 0.411 47 D N 2.722 122.770 120.400 -0.586 0.000 2.769 47 D HA 0.293 4.933 4.640 0.000 0.000 0.219 47 D C -1.962 173.731 176.300 -1.012 0.000 1.245 47 D CA -0.332 53.329 54.000 -0.565 0.000 0.801 47 D CB 0.738 41.334 40.800 -0.339 0.000 1.598 47 D HN 0.412 nan 8.370 nan 0.000 0.485 48 Y N 0.897 120.909 120.300 -0.481 0.000 2.534 48 Y HA 0.279 4.829 4.550 0.000 0.000 0.345 48 Y C 0.996 176.538 175.900 -0.598 0.000 1.031 48 Y CA -0.836 56.848 58.100 -0.694 0.000 1.022 48 Y CB 2.138 39.684 38.460 -1.524 0.000 1.292 48 Y HN 0.240 nan 8.280 nan 0.000 0.459 49 E N 1.857 121.929 120.200 -0.214 0.000 2.268 49 E HA -0.134 4.216 4.350 0.000 0.000 0.195 49 E C 1.517 178.116 176.600 -0.000 0.000 0.995 49 E CA 1.021 57.373 56.400 -0.079 0.000 0.836 49 E CB -0.042 29.669 29.700 0.019 0.000 0.763 49 E HN 0.837 nan 8.360 nan 0.000 0.491 50 W N 0.542 121.907 121.300 0.107 0.000 3.077 50 W HA 0.075 4.735 4.660 0.000 0.000 0.245 50 W C 0.745 177.300 176.519 0.061 0.000 1.316 50 W CA -0.105 57.278 57.345 0.064 0.000 1.537 50 W CB -0.469 29.011 29.460 0.034 0.000 1.131 50 W HN 0.037 nan 8.180 nan 0.000 0.695 51 Q N 1.691 121.475 119.800 -0.027 0.000 2.482 51 Q HA -0.025 4.315 4.340 0.000 0.000 0.209 51 Q C 0.888 176.931 176.000 0.073 0.000 0.961 51 Q CA 0.902 56.720 55.803 0.024 0.000 0.945 51 Q CB 0.188 28.823 28.738 -0.171 0.000 1.012 51 Q HN 0.233 nan 8.270 nan 0.000 0.515 52 S N -1.238 114.507 115.700 0.075 0.000 2.651 52 S HA 0.433 4.903 4.470 0.000 0.000 0.279 52 S C -0.780 173.867 174.600 0.078 0.000 1.148 52 S CA -1.206 57.030 58.200 0.061 0.000 0.837 52 S CB 1.811 65.025 63.200 0.023 0.000 1.138 52 S HN -0.187 nan 8.310 nan 0.000 0.478 53 K N 0.804 121.239 120.400 0.060 0.000 2.414 53 K HA 0.310 4.630 4.320 0.000 0.000 0.272 53 K C 1.642 178.273 176.600 0.053 0.000 0.993 53 K CA 0.515 56.836 56.287 0.057 0.000 0.964 53 K CB 0.468 32.992 32.500 0.041 0.000 0.925 53 K HN 0.814 nan 8.250 nan 0.000 0.487 54 A N 2.857 125.711 122.820 0.056 0.000 1.892 54 A HA -0.145 4.175 4.320 0.000 0.000 0.218 54 A C 1.703 179.308 177.584 0.034 0.000 1.188 54 A CA 2.200 54.267 52.037 0.050 0.000 0.631 54 A CB -0.719 18.310 19.000 0.049 0.000 0.822 54 A HN 0.761 nan 8.150 nan 0.000 0.447 55 G N -1.005 107.812 108.800 0.028 0.000 3.379 55 G HA2 0.399 4.359 3.960 0.000 0.000 0.253 55 G HA3 0.399 4.359 3.960 0.000 0.000 0.253 55 G C 0.131 175.042 174.900 0.017 0.000 1.262 55 G CA 0.571 45.683 45.100 0.021 0.000 0.959 55 G HN 0.638 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 0.013 0.000 0.000 56 E CB 0.000 29.709 29.700 0.015 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000