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 1bpt_1_A DATA FIRST_RESID 1 DATA SEQUENCE RPDFcLEPPY TGPcKARIIR YFANAKAGLc QTFVYGGcRA KRNNFKSAED DATA SEQUENCE cMRTcG 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 0.000 176.200 176.300 -0.167 0.000 0.893 1 R CA 0.000 56.027 56.100 -0.122 0.000 0.921 1 R CB 0.000 30.244 30.300 -0.094 0.000 0.687 2 P HA 0.109 nan 4.420 nan 0.000 0.266 2 P C 0.018 177.072 177.300 -0.410 0.000 1.193 2 P CA -0.165 62.703 63.100 -0.388 0.000 0.770 2 P CB 0.755 31.995 31.700 -0.766 0.000 0.836 3 D N 1.059 121.316 120.400 -0.238 0.000 2.218 3 D HA -0.126 4.520 4.640 0.009 0.000 0.204 3 D C 1.542 177.794 176.300 -0.080 0.000 0.976 3 D CA 1.259 55.194 54.000 -0.107 0.000 0.853 3 D CB -0.192 40.603 40.800 -0.009 0.000 0.939 3 D HN 0.512 nan 8.370 nan 0.000 0.481 4 F N 0.501 120.468 119.950 0.029 0.000 2.604 4 F HA 0.051 4.583 4.527 0.008 0.000 0.298 4 F C 2.030 177.866 175.800 0.060 0.000 1.131 4 F CA -0.352 57.663 58.000 0.026 0.000 1.457 4 F CB -1.229 37.777 39.000 0.009 0.000 1.095 4 F HN -0.103 nan 8.300 nan 0.000 0.574 5 c N 0.717 119.164 118.600 -0.255 0.000 2.432 5 c HA -0.016 4.559 4.570 0.009 0.000 0.282 5 c C 2.434 176.543 174.090 0.031 0.000 1.388 5 c CA 0.336 56.626 56.329 -0.065 0.000 1.777 5 c CB -1.328 41.059 42.510 -0.205 0.000 1.882 5 c HN 0.502 nan 8.230 nan 0.000 0.520 6 L N 0.397 121.628 121.223 0.014 0.000 2.558 6 L HA 0.187 4.532 4.340 0.009 0.000 0.225 6 L C 0.980 177.886 176.870 0.061 0.000 1.128 6 L CA 0.864 55.724 54.840 0.034 0.000 0.868 6 L CB -0.782 41.282 42.059 0.007 0.000 1.006 6 L HN 0.351 nan 8.230 nan 0.000 0.454 7 E N 1.052 121.302 120.200 0.084 0.000 2.383 7 E HA 0.111 4.466 4.350 0.009 0.000 0.264 7 E C -2.031 174.599 176.600 0.051 0.000 1.050 7 E CA -1.681 54.758 56.400 0.064 0.000 0.896 7 E CB 0.466 30.209 29.700 0.072 0.000 0.982 7 E HN 0.019 nan 8.360 nan 0.000 0.424 8 P HA 0.155 nan 4.420 nan 0.000 0.274 8 P C -2.603 174.565 177.300 -0.220 0.000 1.237 8 P CA -1.535 61.518 63.100 -0.077 0.000 0.793 8 P CB -0.128 31.537 31.700 -0.057 0.000 0.977 9 P HA 0.109 nan 4.420 nan 0.000 0.271 9 P C -1.213 175.838 177.300 -0.415 0.000 1.218 9 P CA 0.251 62.788 63.100 -0.939 0.000 0.780 9 P CB 0.142 30.671 31.700 -1.952 0.000 0.901 10 Y N 1.016 121.076 120.300 -0.399 0.000 2.338 10 Y HA 0.253 4.808 4.550 0.009 0.000 0.328 10 Y C 1.246 177.301 175.900 0.258 0.000 0.965 10 Y CA -0.106 57.963 58.100 -0.053 0.000 1.208 10 Y CB 1.221 39.665 38.460 -0.027 0.000 1.132 10 Y HN 0.279 nan 8.280 nan 0.000 0.469 11 T N 3.603 118.077 114.554 -0.133 0.000 2.770 11 T HA 0.269 4.625 4.350 0.009 0.000 0.263 11 T C 0.729 175.252 174.700 -0.295 0.000 1.039 11 T CA 1.496 63.573 62.100 -0.038 0.000 1.142 11 T CB -0.744 68.075 68.868 -0.082 0.000 0.868 11 T HN 1.161 nan 8.240 nan 0.000 0.435 12 G N 1.293 109.569 108.800 -0.873 0.000 2.757 12 G HA2 -0.113 3.852 3.960 0.009 0.000 0.638 12 G HA3 -0.113 3.852 3.960 0.009 0.000 0.638 12 G C -2.159 172.560 174.900 -0.302 0.000 1.344 12 G CA -0.268 44.418 45.100 -0.690 0.000 0.855 12 G HN 0.193 nan 8.290 nan 0.000 0.537 13 P HA 0.213 nan 4.420 nan 0.000 0.240 13 P C 0.917 178.160 177.300 -0.096 0.000 1.190 13 P CA 0.549 63.597 63.100 -0.087 0.000 0.781 13 P CB 0.099 31.789 31.700 -0.017 0.000 0.931 14 c N 0.749 119.271 118.600 -0.130 0.000 2.500 14 c HA 0.307 4.882 4.570 0.009 0.000 0.367 14 c C 1.499 175.494 174.090 -0.158 0.000 1.283 14 c CA -0.108 56.138 56.329 -0.138 0.000 2.456 14 c CB 0.136 42.553 42.510 -0.156 0.000 2.457 14 c HN 0.039 nan 8.230 nan 0.000 0.632 15 K N 0.757 121.078 120.400 -0.132 0.000 2.576 15 K HA 0.398 4.723 4.320 0.009 0.000 0.209 15 K C 0.339 176.866 176.600 -0.121 0.000 1.049 15 K CA 0.044 56.262 56.287 -0.116 0.000 1.140 15 K CB 0.049 32.500 32.500 -0.081 0.000 0.871 15 K HN 0.704 nan 8.250 nan 0.000 0.479 16 A N 0.373 123.096 122.820 -0.160 0.000 2.252 16 A HA 0.625 4.950 4.320 0.009 0.000 0.305 16 A C -0.550 176.939 177.584 -0.158 0.000 1.097 16 A CA -0.542 51.407 52.037 -0.147 0.000 0.849 16 A CB 0.563 19.468 19.000 -0.158 0.000 1.142 16 A HN 0.258 nan 8.150 nan 0.000 0.499 17 R N 0.361 120.786 120.500 -0.125 0.000 2.335 17 R HA 0.527 4.873 4.340 0.009 0.000 0.302 17 R C -1.540 174.692 176.300 -0.112 0.000 1.147 17 R CA 0.101 56.130 56.100 -0.118 0.000 1.111 17 R CB 0.332 30.582 30.300 -0.084 0.000 1.122 17 R HN 0.645 nan 8.270 nan 0.000 0.557 18 I N 4.715 125.203 120.570 -0.137 0.000 2.389 18 I HA 0.332 4.507 4.170 0.009 0.000 0.288 18 I C -0.473 175.559 176.117 -0.141 0.000 0.999 18 I CA -1.027 60.217 61.300 -0.092 0.000 1.129 18 I CB 1.825 39.814 38.000 -0.018 0.000 1.288 18 I HN 0.332 nan 8.210 nan 0.000 0.444 19 I N 7.251 127.740 120.570 -0.135 0.000 2.325 19 I HA 0.348 4.524 4.170 0.009 0.000 0.291 19 I C 0.338 176.313 176.117 -0.236 0.000 1.019 19 I CA -0.023 61.145 61.300 -0.221 0.000 1.302 19 I CB 0.221 38.115 38.000 -0.175 0.000 1.401 19 I HN 0.451 nan 8.210 nan 0.000 0.485 20 R N 4.584 124.854 120.500 -0.383 0.000 2.950 20 R HA 0.570 4.915 4.340 0.009 0.000 0.253 20 R C -1.367 174.830 176.300 -0.172 0.000 1.168 20 R CA -1.141 54.821 56.100 -0.229 0.000 1.014 20 R CB 1.045 31.216 30.300 -0.214 0.000 1.228 20 R HN 0.323 nan 8.270 nan 0.000 0.487 21 Y N 0.411 120.937 120.300 0.377 0.000 2.409 21 Y HA 0.491 5.045 4.550 0.006 0.000 0.339 21 Y C -0.008 176.339 175.900 0.744 0.000 1.033 21 Y CA -0.788 57.622 58.100 0.517 0.000 1.094 21 Y CB 1.437 40.110 38.460 0.355 0.000 1.210 21 Y HN 0.458 nan 8.280 nan 0.000 0.456 22 F N 0.311 120.606 119.950 0.575 0.000 2.576 22 F HA 0.945 5.476 4.527 0.008 0.000 0.313 22 F C -0.996 174.992 175.800 0.313 0.000 1.078 22 F CA -2.108 56.097 58.000 0.342 0.000 0.921 22 F CB 0.892 39.855 39.000 -0.062 0.000 1.232 22 F HN 0.493 nan 8.300 nan 0.000 0.459 23 A N 2.566 125.539 122.820 0.254 0.000 2.289 23 A HA 0.401 4.726 4.320 0.009 0.000 0.298 23 A C -0.468 177.092 177.584 -0.039 0.000 1.208 23 A CA -0.636 51.422 52.037 0.035 0.000 0.845 23 A CB 0.056 19.134 19.000 0.130 0.000 1.125 23 A HN 0.781 nan 8.150 nan 0.000 0.517 24 N N 2.721 121.300 118.700 -0.202 0.000 2.955 24 N HA 0.301 5.046 4.740 0.009 0.000 0.242 24 N C 1.080 176.572 175.510 -0.031 0.000 1.123 24 N CA 0.431 53.416 53.050 -0.108 0.000 0.949 24 N CB 1.127 39.466 38.487 -0.247 0.000 1.214 24 N HN 0.669 nan 8.380 nan 0.000 0.504 25 A N 2.667 125.497 122.820 0.017 0.000 2.042 25 A HA -0.211 4.115 4.320 0.009 0.000 0.222 25 A C 2.133 179.720 177.584 0.004 0.000 1.167 25 A CA 1.520 53.561 52.037 0.007 0.000 0.649 25 A CB -0.041 18.972 19.000 0.021 0.000 0.809 25 A HN 0.491 nan 8.150 nan 0.000 0.457 26 K N -0.454 119.956 120.400 0.017 0.000 2.044 26 K HA 0.217 4.542 4.320 0.009 0.000 0.204 26 K C 1.771 178.373 176.600 0.004 0.000 1.049 26 K CA 1.402 57.699 56.287 0.017 0.000 0.945 26 K CB -0.383 32.138 32.500 0.035 0.000 0.724 26 K HN 0.310 nan 8.250 nan 0.000 0.440 27 A N -0.875 121.941 122.820 -0.006 0.000 2.238 27 A HA 0.331 4.657 4.320 0.009 0.000 0.210 27 A C 1.260 178.825 177.584 -0.030 0.000 1.179 27 A CA 0.634 52.661 52.037 -0.016 0.000 0.827 27 A CB -0.391 18.599 19.000 -0.017 0.000 0.856 27 A HN 0.430 nan 8.150 nan 0.000 0.488 28 G N -1.475 107.302 108.800 -0.037 0.000 2.168 28 G HA2 -0.195 3.770 3.960 0.009 0.000 0.257 28 G HA3 -0.195 3.770 3.960 0.009 0.000 0.257 28 G C -0.126 174.738 174.900 -0.061 0.000 0.997 28 G CA 0.790 45.863 45.100 -0.044 0.000 0.708 28 G HN 0.390 nan 8.290 nan 0.000 0.520 29 L N -0.869 120.308 121.223 -0.077 0.000 2.279 29 L HA 0.779 5.125 4.340 0.009 0.000 0.262 29 L C 0.339 177.125 176.870 -0.140 0.000 1.019 29 L CA -1.245 53.538 54.840 -0.094 0.000 0.823 29 L CB 1.849 43.858 42.059 -0.084 0.000 1.358 29 L HN 0.156 nan 8.230 nan 0.000 0.432 30 c N 1.191 119.719 118.600 -0.119 0.000 2.281 30 c HA 0.698 5.273 4.570 0.009 0.000 0.325 30 c C -0.057 174.027 174.090 -0.009 0.000 1.282 30 c CA -0.694 55.578 56.329 -0.095 0.000 1.640 30 c CB 0.516 42.982 42.510 -0.073 0.000 2.288 30 c HN 0.675 nan 8.230 nan 0.000 0.507 31 Q N 0.910 120.622 119.800 -0.147 0.000 2.416 31 Q HA 0.470 4.816 4.340 0.009 0.000 0.279 31 Q C -0.495 175.629 176.000 0.206 0.000 1.101 31 Q CA -0.564 55.221 55.803 -0.030 0.000 0.830 31 Q CB 1.764 30.396 28.738 -0.176 0.000 1.402 31 Q HN 0.596 nan 8.270 nan 0.000 0.445 32 T N 1.771 116.445 114.554 0.200 0.000 2.869 32 T HA 0.510 4.865 4.350 0.009 0.000 0.295 32 T C -1.044 173.901 174.700 0.409 0.000 0.987 32 T CA -0.053 62.097 62.100 0.083 0.000 1.109 32 T CB -0.004 68.810 68.868 -0.090 0.000 0.932 32 T HN 0.402 nan 8.240 nan 0.000 0.518 33 F N 1.793 121.817 119.950 0.125 0.000 2.685 33 F HA 0.759 5.290 4.527 0.007 0.000 0.315 33 F C -1.478 174.335 175.800 0.022 0.000 1.126 33 F CA -1.538 56.509 58.000 0.077 0.000 0.950 33 F CB 0.651 39.624 39.000 -0.045 0.000 1.360 33 F HN 0.183 nan 8.300 nan 0.000 0.469 34 V N 3.181 122.965 119.914 -0.216 0.000 2.368 34 V HA 0.179 4.304 4.120 0.009 0.000 0.266 34 V C -1.042 174.860 176.094 -0.320 0.000 1.045 34 V CA -0.461 61.675 62.300 -0.273 0.000 0.899 34 V CB 0.231 31.992 31.823 -0.104 0.000 1.006 34 V HN 0.724 nan 8.190 nan 0.000 0.470 35 Y N 3.839 123.794 120.300 -0.575 0.000 2.326 35 Y HA 0.572 5.127 4.550 0.008 0.000 0.337 35 Y C 1.274 177.063 175.900 -0.185 0.000 1.023 35 Y CA -0.826 57.058 58.100 -0.359 0.000 1.143 35 Y CB 1.720 39.933 38.460 -0.413 0.000 1.183 35 Y HN 0.613 nan 8.280 nan 0.000 0.485 36 G N 2.734 111.172 108.800 -0.603 0.000 2.498 36 G HA2 0.168 4.134 3.960 0.009 0.000 0.219 36 G HA3 0.168 4.134 3.960 0.009 0.000 0.219 36 G C 1.134 175.624 174.900 -0.683 0.000 1.119 36 G CA 0.585 45.364 45.100 -0.536 0.000 0.766 36 G HN 1.681 nan 8.290 nan 0.000 0.552 37 G N -2.038 105.969 108.800 -1.323 0.000 2.218 37 G HA2 -0.151 3.814 3.960 0.009 0.000 0.216 37 G HA3 -0.151 3.814 3.960 0.009 0.000 0.216 37 G C 0.361 175.046 174.900 -0.359 0.000 0.994 37 G CA 0.396 45.081 45.100 -0.691 0.000 0.637 37 G HN 1.689 nan 8.290 nan 0.000 0.505 38 c N -2.432 115.970 118.600 -0.330 0.000 3.082 38 c HA 0.851 5.426 4.570 0.009 0.000 0.324 38 c C 0.575 174.791 174.090 0.209 0.000 1.210 38 c CA -0.169 56.185 56.329 0.042 0.000 1.366 38 c CB 1.344 43.852 42.510 -0.003 0.000 1.756 38 c HN 1.197 nan 8.230 nan 0.000 0.485 39 R N 0.226 120.877 120.500 0.252 0.000 3.527 39 R HA -0.028 4.317 4.340 0.009 0.000 0.288 39 R C 0.434 176.951 176.300 0.362 0.000 1.146 39 R CA 0.863 57.123 56.100 0.266 0.000 0.778 39 R CB -1.818 28.642 30.300 0.266 0.000 1.289 39 R HN 1.739 nan 8.270 nan 0.000 0.454 40 A N 0.962 123.970 122.820 0.313 0.000 2.561 40 A HA 0.191 4.516 4.320 0.009 0.000 0.234 40 A C 0.628 178.224 177.584 0.019 0.000 1.055 40 A CA 0.592 52.691 52.037 0.104 0.000 0.756 40 A CB 0.355 19.254 19.000 -0.169 0.000 0.986 40 A HN 0.294 nan 8.150 nan 0.000 0.505 41 K N 0.536 120.924 120.400 -0.019 0.000 2.393 41 K HA 0.386 4.711 4.320 0.009 0.000 0.241 41 K C 0.949 177.425 176.600 -0.207 0.000 1.055 41 K CA -0.824 55.386 56.287 -0.129 0.000 0.951 41 K CB 0.902 33.303 32.500 -0.166 0.000 1.285 41 K HN 0.637 nan 8.250 nan 0.000 0.500 42 R N 0.381 120.716 120.500 -0.276 0.000 2.090 42 R HA -0.057 4.288 4.340 0.009 0.000 0.228 42 R C 0.879 176.944 176.300 -0.392 0.000 1.110 42 R CA 0.784 56.593 56.100 -0.486 0.000 0.973 42 R CB -0.320 29.382 30.300 -0.997 0.000 0.869 42 R HN 0.317 nan 8.270 nan 0.000 0.440 43 N N 1.678 120.314 118.700 -0.106 0.000 3.103 43 N HA -0.029 4.716 4.740 0.009 0.000 0.305 43 N C -1.372 174.052 175.510 -0.143 0.000 1.232 43 N CA 0.207 53.271 53.050 0.022 0.000 1.190 43 N CB -0.551 38.054 38.487 0.196 0.000 1.461 43 N HN 0.232 nan 8.380 nan 0.000 0.538 44 N N 1.780 120.190 118.700 -0.483 0.000 2.599 44 N HA 0.221 4.966 4.740 0.009 0.000 0.283 44 N C -1.702 173.485 175.510 -0.537 0.000 1.160 44 N CA -0.461 52.450 53.050 -0.232 0.000 0.869 44 N CB 0.472 38.854 38.487 -0.175 0.000 1.448 44 N HN -0.094 nan 8.380 nan 0.000 0.535 45 F N 1.589 121.692 119.950 0.255 0.000 2.538 45 F HA 0.482 5.013 4.527 0.008 0.000 0.325 45 F C 1.408 177.356 175.800 0.247 0.000 1.066 45 F CA -0.786 57.342 58.000 0.215 0.000 0.946 45 F CB 1.912 41.043 39.000 0.219 0.000 1.199 45 F HN 0.308 nan 8.300 nan 0.000 0.473 46 K N 0.078 120.695 120.400 0.362 0.000 2.314 46 K HA 0.126 4.451 4.320 0.009 0.000 0.198 46 K C -0.074 176.750 176.600 0.373 0.000 1.045 46 K CA 0.532 56.988 56.287 0.281 0.000 0.988 46 K CB 0.282 32.879 32.500 0.162 0.000 0.783 46 K HN 0.652 nan 8.250 nan 0.000 0.484 47 S N -1.810 114.084 115.700 0.323 0.000 2.588 47 S HA 0.558 5.033 4.470 0.009 0.000 0.275 47 S C 0.540 174.920 174.600 -0.366 0.000 1.130 47 S CA -0.652 57.581 58.200 0.056 0.000 0.855 47 S CB 1.791 64.983 63.200 -0.014 0.000 1.116 47 S HN -0.015 nan 8.310 nan 0.000 0.472 48 A N 0.662 122.892 122.820 -0.983 0.000 1.972 48 A HA -0.057 4.269 4.320 0.009 0.000 0.219 48 A C 1.961 179.285 177.584 -0.433 0.000 1.169 48 A CA 1.884 53.377 52.037 -0.907 0.000 0.635 48 A CB -1.092 17.410 19.000 -0.830 0.000 0.810 48 A HN 1.017 nan 8.150 nan 0.000 0.446 49 E N -0.061 119.959 120.200 -0.300 0.000 2.051 49 E HA -0.236 4.120 4.350 0.009 0.000 0.192 49 E C 1.760 178.239 176.600 -0.202 0.000 0.991 49 E CA 1.402 57.683 56.400 -0.199 0.000 0.799 49 E CB -0.273 29.352 29.700 -0.126 0.000 0.748 49 E HN 0.593 nan 8.360 nan 0.000 0.449 50 D N -0.090 120.201 120.400 -0.181 0.000 2.104 50 D HA -0.189 4.456 4.640 0.009 0.000 0.194 50 D C 2.041 178.007 176.300 -0.557 0.000 0.994 50 D CA 1.367 55.269 54.000 -0.163 0.000 0.830 50 D CB -0.186 40.638 40.800 0.040 0.000 0.959 50 D HN 0.342 nan 8.370 nan 0.000 0.452 51 c N 0.802 118.920 118.600 -0.803 0.000 2.432 51 c HA -0.132 4.444 4.570 0.009 0.000 0.277 51 c C 2.813 176.493 174.090 -0.684 0.000 1.249 51 c CA 0.558 56.097 56.329 -1.317 0.000 1.725 51 c CB -0.990 41.150 42.510 -0.617 0.000 2.028 51 c HN 0.349 nan 8.230 nan 0.000 0.477 52 M N 0.583 119.938 119.600 -0.409 0.000 2.175 52 M HA -0.088 4.397 4.480 0.009 0.000 0.264 52 M C 2.324 178.499 176.300 -0.209 0.000 1.063 52 M CA 1.828 56.976 55.300 -0.254 0.000 1.119 52 M CB -1.505 30.978 32.600 -0.195 0.000 1.377 52 M HN 0.585 nan 8.290 nan 0.000 0.415 53 R N 0.184 120.558 120.500 -0.209 0.000 2.066 53 R HA -0.108 4.237 4.340 0.009 0.000 0.232 53 R C 1.935 178.164 176.300 -0.119 0.000 1.131 53 R CA 2.177 58.198 56.100 -0.132 0.000 0.955 53 R CB -0.345 29.898 30.300 -0.095 0.000 0.851 53 R HN 0.265 nan 8.270 nan 0.000 0.432 54 T N -0.557 113.899 114.554 -0.163 0.000 2.737 54 T HA -0.091 4.264 4.350 0.009 0.000 0.265 54 T C 1.735 176.387 174.700 -0.079 0.000 1.038 54 T CA 1.393 63.459 62.100 -0.056 0.000 1.144 54 T CB -0.109 68.802 68.868 0.071 0.000 0.866 54 T HN 0.403 nan 8.240 nan 0.000 0.434 55 c N 0.880 119.388 118.600 -0.153 0.000 3.230 55 c HA 0.512 5.087 4.570 0.009 0.000 0.300 55 c C 1.802 175.823 174.090 -0.114 0.000 1.292 55 c CA -1.255 55.002 56.329 -0.120 0.000 1.707 55 c CB -0.854 41.621 42.510 -0.059 0.000 2.181 55 c HN 0.616 nan 8.230 nan 0.000 0.655 56 G N 0.000 108.724 108.800 -0.126 0.000 0.000 56 G HA2 0.000 3.965 3.960 0.009 0.000 0.000 56 G HA3 0.000 3.965 3.960 0.009 0.000 0.000 56 G CA 0.000 45.038 45.100 -0.104 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000