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 2zjx_1_B DATA FIRST_RESID 1 DATA SEQUENCE RPDFcLEPPY TGPGKARIIR YFYNAKAGLA QTFVYGGARA KRNNFKSAED DATA SEQUENCE ALRTcGG 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 0.000 176.179 176.300 -0.202 0.000 0.893 1 R CA 0.000 56.004 56.100 -0.160 0.000 0.921 1 R CB 0.000 30.215 30.300 -0.141 0.000 0.687 2 P HA 0.057 nan 4.420 nan 0.000 0.268 2 P C -0.124 176.920 177.300 -0.426 0.000 1.204 2 P CA -0.083 62.774 63.100 -0.405 0.000 0.768 2 P CB 0.805 32.035 31.700 -0.784 0.000 0.842 3 D N 2.056 122.326 120.400 -0.217 0.000 2.158 3 D HA -0.225 4.414 4.640 -0.001 0.000 0.197 3 D C 1.338 177.595 176.300 -0.072 0.000 0.995 3 D CA 1.322 55.264 54.000 -0.097 0.000 0.846 3 D CB -0.313 40.482 40.800 -0.007 0.000 0.941 3 D HN 0.485 nan 8.370 nan 0.000 0.456 4 F N -0.606 119.364 119.950 0.033 0.000 2.451 4 F HA 0.047 4.575 4.527 0.002 0.000 0.299 4 F C 2.018 177.872 175.800 0.090 0.000 1.101 4 F CA -0.091 57.931 58.000 0.036 0.000 1.436 4 F CB -1.267 37.742 39.000 0.014 0.000 1.074 4 F HN 0.008 nan 8.300 nan 0.000 0.553 5 c N 0.787 119.249 118.600 -0.230 0.000 2.437 5 c HA 0.005 4.574 4.570 -0.001 0.000 0.283 5 c C 2.354 176.568 174.090 0.206 0.000 1.424 5 c CA 0.393 56.741 56.329 0.032 0.000 1.782 5 c CB -1.601 40.793 42.510 -0.194 0.000 1.833 5 c HN 0.538 nan 8.230 nan 0.000 0.532 6 L N 0.057 121.349 121.223 0.115 0.000 2.607 6 L HA 0.188 4.527 4.340 -0.001 0.000 0.228 6 L C 0.874 177.809 176.870 0.109 0.000 1.123 6 L CA 0.847 55.760 54.840 0.122 0.000 0.890 6 L CB -0.317 41.782 42.059 0.066 0.000 1.103 6 L HN 0.193 nan 8.230 nan 0.000 0.468 7 E N 1.233 121.506 120.200 0.121 0.000 2.343 7 E HA 0.256 4.606 4.350 -0.001 0.000 0.269 7 E C -2.117 174.510 176.600 0.044 0.000 1.047 7 E CA -2.080 54.364 56.400 0.073 0.000 0.874 7 E CB 0.256 29.997 29.700 0.068 0.000 1.033 7 E HN -0.059 nan 8.360 nan 0.000 0.409 8 P HA 0.194 nan 4.420 nan 0.000 0.274 8 P C -2.450 174.676 177.300 -0.289 0.000 1.237 8 P CA -1.298 61.714 63.100 -0.145 0.000 0.793 8 P CB -0.403 31.231 31.700 -0.110 0.000 0.977 9 P HA 0.060 nan 4.420 nan 0.000 0.271 9 P C -1.214 175.783 177.300 -0.505 0.000 1.218 9 P CA 0.230 62.732 63.100 -0.998 0.000 0.780 9 P CB 0.226 30.721 31.700 -2.009 0.000 0.901 10 Y N 1.455 121.493 120.300 -0.436 0.000 2.388 10 Y HA 0.228 4.778 4.550 -0.000 0.000 0.328 10 Y C 1.330 177.367 175.900 0.228 0.000 0.963 10 Y CA -0.086 57.972 58.100 -0.070 0.000 1.240 10 Y CB 0.938 39.379 38.460 -0.031 0.000 1.118 10 Y HN 0.278 nan 8.280 nan 0.000 0.484 11 T N 3.917 118.409 114.554 -0.102 0.000 2.777 11 T HA 0.187 4.536 4.350 -0.001 0.000 0.266 11 T C 0.845 175.392 174.700 -0.255 0.000 1.040 11 T CA 1.560 63.667 62.100 0.013 0.000 1.141 11 T CB -0.786 68.060 68.868 -0.037 0.000 0.868 11 T HN 1.160 nan 8.240 nan 0.000 0.444 12 G N 1.339 109.627 108.800 -0.853 0.000 2.760 12 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.246 12 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.246 12 G C -2.004 172.713 174.900 -0.306 0.000 1.359 12 G CA -0.241 44.426 45.100 -0.721 0.000 0.861 12 G HN 0.209 nan 8.290 nan 0.000 0.541 13 P HA 0.194 nan 4.420 nan 0.000 0.240 13 P C 1.243 178.480 177.300 -0.105 0.000 1.190 13 P CA 1.316 64.362 63.100 -0.090 0.000 0.781 13 P CB 0.079 31.767 31.700 -0.020 0.000 0.931 14 G N 0.921 109.631 108.800 -0.149 0.000 2.594 14 G HA2 0.081 4.041 3.960 -0.001 0.000 0.243 14 G HA3 0.081 4.041 3.960 -0.001 0.000 0.243 14 G C 0.509 175.311 174.900 -0.165 0.000 1.229 14 G CA -0.391 44.609 45.100 -0.167 0.000 0.843 14 G HN 0.050 nan 8.290 nan 0.000 0.578 15 K N 0.531 120.850 120.400 -0.134 0.000 2.372 15 K HA 0.301 4.620 4.320 -0.001 0.000 0.200 15 K C 1.161 177.691 176.600 -0.116 0.000 1.022 15 K CA -0.110 56.112 56.287 -0.108 0.000 1.125 15 K CB 0.792 33.247 32.500 -0.076 0.000 0.855 15 K HN 0.496 nan 8.250 nan 0.000 0.524 16 A N 1.704 124.431 122.820 -0.155 0.000 2.296 16 A HA 0.310 4.630 4.320 -0.001 0.000 0.264 16 A C 0.061 177.556 177.584 -0.149 0.000 1.097 16 A CA -0.262 51.688 52.037 -0.146 0.000 0.811 16 A CB 0.400 19.300 19.000 -0.168 0.000 1.072 16 A HN 0.174 nan 8.150 nan 0.000 0.495 17 R N 0.780 121.211 120.500 -0.115 0.000 2.585 17 R HA 0.321 4.660 4.340 -0.001 0.000 0.278 17 R C -1.561 174.684 176.300 -0.092 0.000 1.663 17 R CA 0.072 56.111 56.100 -0.101 0.000 1.592 17 R CB 0.263 30.520 30.300 -0.072 0.000 1.200 17 R HN 0.630 nan 8.270 nan 0.000 0.611 18 I N 2.835 123.340 120.570 -0.109 0.000 2.331 18 I HA 0.261 4.430 4.170 -0.001 0.000 0.292 18 I C 0.438 176.482 176.117 -0.121 0.000 0.998 18 I CA -0.850 60.408 61.300 -0.070 0.000 1.267 18 I CB 1.224 39.224 38.000 0.001 0.000 1.386 18 I HN 0.105 nan 8.210 nan 0.000 0.476 19 I N 7.076 127.574 120.570 -0.120 0.000 2.363 19 I HA 0.277 4.447 4.170 -0.001 0.000 0.292 19 I C 0.517 176.490 176.117 -0.239 0.000 1.075 19 I CA 0.066 61.245 61.300 -0.201 0.000 1.333 19 I CB -0.253 37.655 38.000 -0.153 0.000 1.415 19 I HN 0.528 nan 8.210 nan 0.000 0.502 20 R N 5.137 125.381 120.500 -0.426 0.000 2.923 20 R HA 0.546 4.885 4.340 -0.001 0.000 0.252 20 R C -1.132 175.067 176.300 -0.169 0.000 1.130 20 R CA -0.894 55.034 56.100 -0.286 0.000 1.043 20 R CB 1.494 31.553 30.300 -0.402 0.000 1.205 20 R HN 0.261 nan 8.270 nan 0.000 0.495 21 Y N 0.290 120.791 120.300 0.334 0.000 2.446 21 Y HA 0.452 5.001 4.550 -0.002 0.000 0.338 21 Y C 0.160 176.542 175.900 0.803 0.000 1.055 21 Y CA -0.725 57.666 58.100 0.486 0.000 1.101 21 Y CB 1.289 39.926 38.460 0.294 0.000 1.221 21 Y HN 0.472 nan 8.280 nan 0.000 0.460 22 F N -0.260 120.066 119.950 0.626 0.000 2.603 22 F HA 0.586 5.112 4.527 -0.002 0.000 0.317 22 F C -1.732 174.312 175.800 0.407 0.000 1.066 22 F CA -1.919 56.379 58.000 0.496 0.000 0.941 22 F CB 1.170 40.240 39.000 0.117 0.000 1.291 22 F HN 0.438 nan 8.300 nan 0.000 0.472 23 Y N 2.827 123.280 120.300 0.255 0.000 2.365 23 Y HA 0.281 4.831 4.550 -0.001 0.000 0.340 23 Y C -0.031 175.874 175.900 0.009 0.000 1.016 23 Y CA -0.406 57.694 58.100 0.001 0.000 1.196 23 Y CB 0.463 38.971 38.460 0.081 0.000 1.167 23 Y HN 0.749 nan 8.280 nan 0.000 0.509 24 N N 5.196 123.497 118.700 -0.665 0.000 2.521 24 N HA 0.147 4.887 4.740 -0.001 0.000 0.236 24 N C 0.332 175.468 175.510 -0.624 0.000 1.067 24 N CA 0.432 53.238 53.050 -0.406 0.000 0.939 24 N CB 1.220 39.492 38.487 -0.359 0.000 1.201 24 N HN 0.914 nan 8.380 nan 0.000 0.511 25 A N 4.270 126.894 122.820 -0.327 0.000 1.969 25 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 25 A C 2.057 179.572 177.584 -0.114 0.000 1.169 25 A CA 1.169 53.094 52.037 -0.187 0.000 0.635 25 A CB -0.275 18.809 19.000 0.140 0.000 0.810 25 A HN 0.738 nan 8.150 nan 0.000 0.445 26 K N -0.114 120.240 120.400 -0.077 0.000 2.097 26 K HA -0.041 4.279 4.320 -0.001 0.000 0.206 26 K C 1.904 178.457 176.600 -0.079 0.000 1.049 26 K CA 1.289 57.547 56.287 -0.050 0.000 0.933 26 K CB -0.291 32.198 32.500 -0.019 0.000 0.717 26 K HN 0.329 nan 8.250 nan 0.000 0.442 27 A N 0.281 123.022 122.820 -0.132 0.000 2.072 27 A HA 0.179 4.499 4.320 -0.001 0.000 0.216 27 A C 1.463 178.951 177.584 -0.161 0.000 1.156 27 A CA 0.891 52.850 52.037 -0.130 0.000 0.701 27 A CB -0.449 18.470 19.000 -0.135 0.000 0.816 27 A HN 0.584 nan 8.150 nan 0.000 0.458 28 G N -1.211 107.426 108.800 -0.272 0.000 2.198 28 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.260 28 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.260 28 G C -0.075 174.697 174.900 -0.213 0.000 1.025 28 G CA 0.715 45.680 45.100 -0.225 0.000 0.769 28 G HN 0.523 nan 8.290 nan 0.000 0.507 29 L N -1.031 119.969 121.223 -0.372 0.000 2.350 29 L HA 0.836 5.175 4.340 -0.001 0.000 0.260 29 L C 0.571 177.272 176.870 -0.281 0.000 1.015 29 L CA -0.943 53.767 54.840 -0.216 0.000 0.821 29 L CB 2.085 44.047 42.059 -0.161 0.000 1.370 29 L HN 0.260 nan 8.230 nan 0.000 0.416 30 A N 1.441 124.193 122.820 -0.112 0.000 2.354 30 A HA 0.672 4.991 4.320 -0.001 0.000 0.269 30 A C -0.641 176.879 177.584 -0.107 0.000 1.109 30 A CA -0.157 51.827 52.037 -0.089 0.000 0.800 30 A CB 0.768 19.784 19.000 0.025 0.000 1.045 30 A HN 0.748 nan 8.150 nan 0.000 0.489 31 Q N -0.177 119.459 119.800 -0.274 0.000 2.495 31 Q HA 0.553 4.893 4.340 -0.001 0.000 0.287 31 Q C -0.556 175.456 176.000 0.021 0.000 1.078 31 Q CA -0.870 54.825 55.803 -0.181 0.000 0.793 31 Q CB 2.213 30.758 28.738 -0.321 0.000 1.459 31 Q HN 0.846 nan 8.270 nan 0.000 0.422 32 T N -1.280 113.325 114.554 0.085 0.000 2.918 32 T HA 0.788 5.138 4.350 -0.001 0.000 0.283 32 T C -0.404 174.551 174.700 0.424 0.000 1.001 32 T CA -0.513 61.617 62.100 0.050 0.000 1.041 32 T CB 0.479 69.211 68.868 -0.226 0.000 1.028 32 T HN 0.527 nan 8.240 nan 0.000 0.511 33 F N -1.611 118.401 119.950 0.104 0.000 2.711 33 F HA 0.698 5.223 4.527 -0.003 0.000 0.313 33 F C -1.719 174.104 175.800 0.038 0.000 1.141 33 F CA -1.742 56.307 58.000 0.082 0.000 0.941 33 F CB 0.933 39.948 39.000 0.025 0.000 1.349 33 F HN 0.424 nan 8.300 nan 0.000 0.464 34 V N 2.812 122.720 119.914 -0.010 0.000 2.385 34 V HA 0.192 4.311 4.120 -0.001 0.000 0.269 34 V C -0.977 175.043 176.094 -0.124 0.000 1.043 34 V CA -0.396 61.827 62.300 -0.128 0.000 0.906 34 V CB 0.504 32.312 31.823 -0.025 0.000 0.995 34 V HN 0.699 nan 8.190 nan 0.000 0.467 35 Y N 3.596 123.640 120.300 -0.427 0.000 2.342 35 Y HA 0.630 5.177 4.550 -0.004 0.000 0.334 35 Y C 1.124 176.940 175.900 -0.140 0.000 1.067 35 Y CA -1.038 56.904 58.100 -0.264 0.000 1.128 35 Y CB 1.991 40.226 38.460 -0.376 0.000 1.200 35 Y HN 0.589 nan 8.280 nan 0.000 0.464 36 G N 2.022 110.467 108.800 -0.592 0.000 2.920 36 G HA2 0.296 4.255 3.960 -0.001 0.000 0.208 36 G HA3 0.296 4.255 3.960 -0.001 0.000 0.208 36 G C 1.043 175.511 174.900 -0.720 0.000 1.159 36 G CA 0.212 44.994 45.100 -0.530 0.000 0.784 36 G HN 1.671 nan 8.290 nan 0.000 0.535 37 G N -1.789 106.152 108.800 -1.433 0.000 2.176 37 G HA2 0.200 4.160 3.960 -0.001 0.000 0.253 37 G HA3 0.200 4.160 3.960 -0.001 0.000 0.253 37 G C 0.234 174.887 174.900 -0.411 0.000 0.979 37 G CA 0.342 44.965 45.100 -0.796 0.000 0.641 37 G HN 1.583 nan 8.290 nan 0.000 0.530 38 A N -0.434 122.163 122.820 -0.371 0.000 2.455 38 A HA 0.809 5.128 4.320 -0.001 0.000 0.300 38 A C 0.694 178.384 177.584 0.177 0.000 1.040 38 A CA 0.239 52.267 52.037 -0.015 0.000 0.697 38 A CB 1.038 20.011 19.000 -0.044 0.000 1.265 38 A HN 1.279 nan 8.150 nan 0.000 0.407 39 R N -1.203 119.428 120.500 0.219 0.000 3.332 39 R HA -0.162 4.177 4.340 -0.001 0.000 0.263 39 R C 0.369 176.878 176.300 0.349 0.000 1.053 39 R CA 0.868 57.107 56.100 0.232 0.000 0.705 39 R CB -2.797 27.629 30.300 0.210 0.000 1.166 39 R HN 1.931 nan 8.270 nan 0.000 0.427 40 A N 1.003 124.017 122.820 0.322 0.000 2.520 40 A HA 0.253 4.572 4.320 -0.001 0.000 0.235 40 A C 0.853 178.475 177.584 0.062 0.000 1.065 40 A CA 0.395 52.542 52.037 0.183 0.000 0.764 40 A CB 0.469 19.388 19.000 -0.136 0.000 1.002 40 A HN 0.338 nan 8.150 nan 0.000 0.502 41 K N 0.223 120.649 120.400 0.043 0.000 2.209 41 K HA 0.341 4.661 4.320 -0.001 0.000 0.238 41 K C 0.941 177.407 176.600 -0.223 0.000 1.028 41 K CA -0.721 55.492 56.287 -0.123 0.000 0.935 41 K CB 0.684 33.096 32.500 -0.148 0.000 1.162 41 K HN 0.658 nan 8.250 nan 0.000 0.485 42 R N 0.453 120.755 120.500 -0.331 0.000 2.246 42 R HA -0.002 4.337 4.340 -0.001 0.000 0.199 42 R C 0.511 176.484 176.300 -0.546 0.000 0.984 42 R CA 0.234 55.944 56.100 -0.649 0.000 1.015 42 R CB -0.033 29.503 30.300 -1.273 0.000 0.930 42 R HN 0.353 nan 8.270 nan 0.000 0.475 43 N N 2.110 120.748 118.700 -0.103 0.000 3.178 43 N HA -0.039 4.700 4.740 -0.001 0.000 0.300 43 N C -1.379 174.145 175.510 0.023 0.000 1.242 43 N CA 0.176 53.324 53.050 0.163 0.000 1.192 43 N CB -0.298 38.396 38.487 0.346 0.000 1.463 43 N HN 0.060 nan 8.380 nan 0.000 0.539 44 N N 2.166 120.638 118.700 -0.380 0.000 2.616 44 N HA 0.201 4.940 4.740 -0.001 0.000 0.281 44 N C -1.930 173.327 175.510 -0.423 0.000 1.145 44 N CA -0.228 52.769 53.050 -0.089 0.000 0.919 44 N CB 0.171 38.594 38.487 -0.108 0.000 1.509 44 N HN -0.030 nan 8.380 nan 0.000 0.537 45 F N 1.262 121.367 119.950 0.258 0.000 2.603 45 F HA 0.488 5.016 4.527 0.002 0.000 0.317 45 F C 1.560 177.495 175.800 0.224 0.000 1.066 45 F CA -0.768 57.348 58.000 0.195 0.000 0.941 45 F CB 2.137 41.260 39.000 0.205 0.000 1.291 45 F HN 0.226 nan 8.300 nan 0.000 0.472 46 K N 0.166 120.769 120.400 0.339 0.000 2.426 46 K HA 0.145 4.464 4.320 -0.001 0.000 0.193 46 K C -0.073 176.678 176.600 0.252 0.000 1.028 46 K CA 0.368 56.811 56.287 0.261 0.000 1.047 46 K CB 0.322 32.912 32.500 0.151 0.000 0.821 46 K HN 0.605 nan 8.250 nan 0.000 0.513 47 S N -2.087 113.674 115.700 0.102 0.000 2.579 47 S HA 0.530 4.999 4.470 -0.001 0.000 0.272 47 S C 0.559 174.756 174.600 -0.671 0.000 1.141 47 S CA -0.557 57.445 58.200 -0.330 0.000 0.843 47 S CB 1.773 64.871 63.200 -0.170 0.000 1.122 47 S HN -0.033 nan 8.310 nan 0.000 0.468 48 A N 1.254 123.432 122.820 -1.069 0.000 1.902 48 A HA -0.014 4.305 4.320 -0.001 0.000 0.217 48 A C 1.751 179.134 177.584 -0.335 0.000 1.181 48 A CA 1.961 53.594 52.037 -0.672 0.000 0.623 48 A CB -1.286 17.435 19.000 -0.466 0.000 0.818 48 A HN 0.933 nan 8.150 nan 0.000 0.443 49 E N -0.084 119.951 120.200 -0.275 0.000 2.110 49 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 49 E C 1.690 178.173 176.600 -0.195 0.000 0.988 49 E CA 1.257 57.546 56.400 -0.184 0.000 0.804 49 E CB -0.193 29.429 29.700 -0.130 0.000 0.745 49 E HN 0.636 nan 8.360 nan 0.000 0.458 50 D N 0.044 120.327 120.400 -0.195 0.000 2.123 50 D HA -0.040 4.600 4.640 -0.001 0.000 0.200 50 D C 1.895 177.843 176.300 -0.586 0.000 0.976 50 D CA 1.317 55.201 54.000 -0.194 0.000 0.831 50 D CB -0.180 40.644 40.800 0.040 0.000 0.974 50 D HN 0.139 nan 8.370 nan 0.000 0.469 51 A N 0.413 122.750 122.820 -0.804 0.000 1.883 51 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 51 A C 2.513 179.722 177.584 -0.625 0.000 1.186 51 A CA 1.253 52.523 52.037 -1.279 0.000 0.624 51 A CB -0.848 17.857 19.000 -0.491 0.000 0.822 51 A HN 0.361 nan 8.150 nan 0.000 0.444 52 L N -1.369 119.661 121.223 -0.322 0.000 2.109 52 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 52 L C 2.778 179.507 176.870 -0.236 0.000 1.086 52 L CA 1.448 56.167 54.840 -0.202 0.000 0.760 52 L CB -0.490 41.508 42.059 -0.102 0.000 0.910 52 L HN 0.448 nan 8.230 nan 0.000 0.437 53 R N -0.116 120.253 120.500 -0.218 0.000 2.091 53 R HA -0.168 4.172 4.340 -0.001 0.000 0.238 53 R C 2.131 178.335 176.300 -0.160 0.000 1.136 53 R CA 2.149 58.155 56.100 -0.155 0.000 0.959 53 R CB -0.230 30.002 30.300 -0.115 0.000 0.856 53 R HN 0.270 nan 8.270 nan 0.000 0.437 54 T N -1.045 113.386 114.554 -0.206 0.000 2.896 54 T HA -0.057 4.292 4.350 -0.001 0.000 0.263 54 T C 1.588 176.172 174.700 -0.195 0.000 1.050 54 T CA 1.133 63.177 62.100 -0.093 0.000 1.140 54 T CB 0.061 69.002 68.868 0.122 0.000 0.877 54 T HN 0.368 nan 8.240 nan 0.000 0.457 55 c N 0.737 119.094 118.600 -0.404 0.000 3.392 55 c HA 0.434 5.003 4.570 -0.001 0.000 0.301 55 c C 2.730 176.246 174.090 -0.956 0.000 1.354 55 c CA -0.686 55.252 56.329 -0.653 0.000 1.732 55 c CB -0.624 41.421 42.510 -0.774 0.000 2.269 55 c HN 0.663 nan 8.230 nan 0.000 0.673 56 G N 0.939 109.360 108.800 -0.632 0.000 2.464 56 G HA2 0.286 4.245 3.960 -0.001 0.000 0.217 56 G HA3 0.286 4.245 3.960 -0.001 0.000 0.217 56 G C 0.971 175.747 174.900 -0.208 0.000 1.138 56 G CA 0.993 45.858 45.100 -0.393 0.000 0.793 56 G HN 0.582 nan 8.290 nan 0.000 0.539 57 G N 0.000 108.682 108.800 -0.197 0.000 5.446 57 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 57 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 57 G CA 0.000 45.030 45.100 -0.116 0.000 0.502 57 G HN 0.000 nan 8.290 nan 0.000 0.925