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 2zjq_1_W DATA FIRST_RESID 1 DATA SEQUENCE MKIKLVRSVI GRPGNQVKTV QALGLRKIGD SREVSDTPAV RGMVKTVKHL DATA SEQUENCE LEVQE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 K N 1.279 121.674 120.400 -0.007 0.000 2.426 2 K HA 0.784 5.104 4.320 -0.000 0.000 0.254 2 K C -1.705 174.889 176.600 -0.010 0.000 0.936 2 K CA -0.299 55.984 56.287 -0.007 0.000 0.801 2 K CB 0.955 33.452 32.500 -0.006 0.000 1.139 2 K HN 0.510 nan 8.250 nan 0.000 0.424 3 I N 3.758 124.321 120.570 -0.011 0.000 2.648 3 I HA 0.493 4.663 4.170 -0.000 0.000 0.304 3 I C -0.594 175.515 176.117 -0.013 0.000 1.009 3 I CA -0.664 60.627 61.300 -0.014 0.000 1.114 3 I CB 1.730 39.719 38.000 -0.018 0.000 1.293 3 I HN 0.760 nan 8.210 nan 0.000 0.449 4 K N 4.284 124.675 120.400 -0.014 0.000 2.805 4 K HA 0.252 4.572 4.320 -0.000 0.000 0.276 4 K C -1.105 175.487 176.600 -0.013 0.000 1.209 4 K CA -0.767 55.513 56.287 -0.011 0.000 1.065 4 K CB 0.722 33.217 32.500 -0.007 0.000 1.363 4 K HN 0.291 nan 8.250 nan 0.000 0.546 5 L N 3.256 124.470 121.223 -0.015 0.000 2.771 5 L HA -0.099 4.241 4.340 -0.000 0.000 0.278 5 L C 0.469 177.334 176.870 -0.009 0.000 1.175 5 L CA 0.897 55.728 54.840 -0.016 0.000 0.973 5 L CB 0.630 42.680 42.059 -0.014 0.000 1.286 5 L HN 0.620 nan 8.230 nan 0.000 0.481 6 V N 1.792 121.701 119.914 -0.007 0.000 3.346 6 V HA 0.564 4.684 4.120 -0.000 0.000 0.309 6 V C 0.473 176.573 176.094 0.010 0.000 1.457 6 V CA -0.384 61.917 62.300 0.002 0.000 1.069 6 V CB -0.164 31.661 31.823 0.004 0.000 0.944 6 V HN 0.704 nan 8.190 nan 0.000 0.449 7 R N 0.797 121.304 120.500 0.011 0.000 2.533 7 R HA 0.503 4.843 4.340 -0.000 0.000 0.288 7 R C -0.396 175.917 176.300 0.023 0.000 1.039 7 R CA -0.177 55.938 56.100 0.025 0.000 0.909 7 R CB 1.912 32.243 30.300 0.051 0.000 1.195 7 R HN 0.312 nan 8.270 nan 0.000 0.438 8 S N 1.258 116.971 115.700 0.022 0.000 2.593 8 S HA -0.019 4.451 4.470 -0.000 0.000 0.300 8 S C 1.697 176.312 174.600 0.024 0.000 1.267 8 S CA -0.205 58.007 58.200 0.019 0.000 1.065 8 S CB 0.492 63.702 63.200 0.016 0.000 0.807 8 S HN 0.343 nan 8.310 nan 0.000 0.499 9 V N 6.972 126.896 119.914 0.017 0.000 2.343 9 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 9 V C 1.434 177.542 176.094 0.023 0.000 1.051 9 V CA 1.260 63.571 62.300 0.019 0.000 1.036 9 V CB -0.788 31.041 31.823 0.010 0.000 0.654 9 V HN 0.784 nan 8.190 nan 0.000 0.451 10 I N 0.837 121.417 120.570 0.017 0.000 3.160 10 I HA -0.020 4.150 4.170 -0.000 0.000 0.311 10 I C 1.638 177.766 176.117 0.018 0.000 1.218 10 I CA 1.333 62.642 61.300 0.015 0.000 1.440 10 I CB -0.612 37.395 38.000 0.012 0.000 1.310 10 I HN 0.498 nan 8.210 nan 0.000 0.575 11 G N 3.602 112.411 108.800 0.014 0.000 2.296 11 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.282 11 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.282 11 G C 0.221 175.133 174.900 0.019 0.000 1.014 11 G CA 0.118 45.226 45.100 0.013 0.000 0.812 11 G HN 0.515 nan 8.290 nan 0.000 0.508 12 R N -0.491 120.025 120.500 0.026 0.000 2.832 12 R HA 0.572 4.912 4.340 -0.000 0.000 0.271 12 R C -2.299 174.020 176.300 0.032 0.000 0.996 12 R CA -2.340 53.784 56.100 0.039 0.000 0.977 12 R CB 0.429 30.767 30.300 0.062 0.000 1.168 12 R HN 0.037 nan 8.270 nan 0.000 0.482 13 P HA 0.074 nan 4.420 nan 0.000 0.267 13 P C 0.874 178.189 177.300 0.025 0.000 1.200 13 P CA 0.084 63.201 63.100 0.028 0.000 0.772 13 P CB 0.548 32.268 31.700 0.033 0.000 0.855 14 G N 2.520 111.330 108.800 0.017 0.000 2.491 14 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 14 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 14 G C 1.234 176.142 174.900 0.013 0.000 1.180 14 G CA 0.701 45.809 45.100 0.013 0.000 0.774 14 G HN 0.540 nan 8.290 nan 0.000 0.562 15 N N 0.994 119.703 118.700 0.015 0.000 2.069 15 N HA -0.195 4.545 4.740 -0.000 0.000 0.196 15 N C 2.224 177.741 175.510 0.011 0.000 1.024 15 N CA 1.792 54.849 53.050 0.013 0.000 0.869 15 N CB -0.715 37.782 38.487 0.017 0.000 1.035 15 N HN 0.548 nan 8.380 nan 0.000 0.434 16 Q N 0.332 120.144 119.800 0.019 0.000 2.079 16 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 16 Q C 2.241 178.241 176.000 0.000 0.000 0.974 16 Q CA 0.911 56.720 55.803 0.009 0.000 0.840 16 Q CB -0.071 28.688 28.738 0.034 0.000 0.898 16 Q HN 0.169 nan 8.270 nan 0.000 0.430 17 V N 1.500 121.419 119.914 0.008 0.000 2.469 17 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 17 V C 2.103 178.197 176.094 -0.001 0.000 1.064 17 V CA 1.548 63.851 62.300 0.004 0.000 1.066 17 V CB -0.456 31.372 31.823 0.008 0.000 0.667 17 V HN 0.272 nan 8.190 nan 0.000 0.461 18 K N -0.096 120.304 120.400 0.000 0.000 1.973 18 K HA -0.083 4.237 4.320 -0.000 0.000 0.210 18 K C 2.193 178.790 176.600 -0.006 0.000 1.045 18 K CA 1.812 58.098 56.287 -0.002 0.000 0.937 18 K CB -1.307 31.194 32.500 0.000 0.000 0.721 18 K HN 0.408 nan 8.250 nan 0.000 0.438 19 T N 1.932 116.480 114.554 -0.009 0.000 2.869 19 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 19 T C 1.945 176.632 174.700 -0.021 0.000 1.082 19 T CA 1.025 63.115 62.100 -0.016 0.000 1.123 19 T CB -0.136 68.720 68.868 -0.021 0.000 0.856 19 T HN -0.067 nan 8.240 nan 0.000 0.499 20 V N 0.540 120.442 119.914 -0.020 0.000 2.535 20 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 20 V C 2.469 178.554 176.094 -0.014 0.000 1.045 20 V CA 1.258 63.545 62.300 -0.022 0.000 1.058 20 V CB -0.459 31.352 31.823 -0.021 0.000 0.689 20 V HN 0.436 nan 8.190 nan 0.000 0.461 21 Q N 0.500 120.294 119.800 -0.010 0.000 1.942 21 Q HA -0.218 4.122 4.340 -0.000 0.000 0.203 21 Q C 2.329 178.324 176.000 -0.008 0.000 0.987 21 Q CA 2.283 58.081 55.803 -0.007 0.000 0.844 21 Q CB -0.421 28.314 28.738 -0.005 0.000 0.911 21 Q HN 0.539 nan 8.270 nan 0.000 0.423 22 A N 1.331 124.147 122.820 -0.008 0.000 1.882 22 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 22 A C 2.066 179.644 177.584 -0.009 0.000 1.253 22 A CA 2.122 54.154 52.037 -0.008 0.000 0.664 22 A CB -1.503 17.492 19.000 -0.008 0.000 0.838 22 A HN 0.586 nan 8.150 nan 0.000 0.460 23 L N -1.081 120.135 121.223 -0.012 0.000 2.574 23 L HA -0.183 4.157 4.340 -0.000 0.000 0.230 23 L C 1.876 178.739 176.870 -0.012 0.000 1.160 23 L CA 0.895 55.726 54.840 -0.014 0.000 0.807 23 L CB -1.057 40.991 42.059 -0.019 0.000 0.931 23 L HN 0.867 nan 8.230 nan 0.000 0.450 24 G N -0.262 108.532 108.800 -0.010 0.000 2.159 24 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.256 24 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.256 24 G C 0.210 175.105 174.900 -0.008 0.000 0.977 24 G CA -0.063 45.032 45.100 -0.008 0.000 0.652 24 G HN 0.271 nan 8.290 nan 0.000 0.531 25 L N -0.420 120.797 121.223 -0.010 0.000 2.395 25 L HA 0.591 4.931 4.340 -0.000 0.000 0.269 25 L C 1.598 178.463 176.870 -0.008 0.000 1.133 25 L CA -0.946 53.888 54.840 -0.010 0.000 0.812 25 L CB 0.979 43.030 42.059 -0.013 0.000 1.125 25 L HN -0.017 nan 8.230 nan 0.000 0.452 26 R N 1.176 121.672 120.500 -0.006 0.000 2.383 26 R HA 0.265 4.605 4.340 -0.000 0.000 0.205 26 R C -0.471 175.827 176.300 -0.003 0.000 0.875 26 R CA 0.336 56.434 56.100 -0.004 0.000 1.039 26 R CB 0.538 30.836 30.300 -0.003 0.000 1.267 26 R HN 0.546 nan 8.270 nan 0.000 0.635 27 K N 1.680 122.078 120.400 -0.003 0.000 2.565 27 K HA 0.353 4.673 4.320 -0.000 0.000 0.251 27 K C 0.061 176.660 176.600 -0.003 0.000 0.956 27 K CA -0.628 55.658 56.287 -0.002 0.000 0.809 27 K CB 2.501 35.000 32.500 -0.001 0.000 1.267 27 K HN -0.049 nan 8.250 nan 0.000 0.438 28 I N -0.601 119.968 120.570 -0.002 0.000 3.075 28 I HA -0.051 4.119 4.170 -0.000 0.000 0.320 28 I C 0.853 176.969 176.117 -0.001 0.000 1.211 28 I CA 1.398 62.697 61.300 -0.001 0.000 1.463 28 I CB -0.272 37.729 38.000 0.002 0.000 1.308 28 I HN 1.017 nan 8.210 nan 0.000 0.553 29 G N 3.244 112.043 108.800 -0.002 0.000 2.259 29 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 29 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 29 G C -0.044 174.854 174.900 -0.003 0.000 1.001 29 G CA 0.147 45.246 45.100 -0.002 0.000 0.627 29 G HN 0.756 nan 8.290 nan 0.000 0.501 30 D N 0.997 121.395 120.400 -0.004 0.000 2.384 30 D HA 0.652 5.292 4.640 -0.000 0.000 0.244 30 D C 0.946 177.242 176.300 -0.006 0.000 1.251 30 D CA 1.037 55.034 54.000 -0.005 0.000 0.961 30 D CB 1.330 42.127 40.800 -0.006 0.000 1.116 30 D HN 0.861 nan 8.370 nan 0.000 0.484 31 S N -1.317 114.379 115.700 -0.006 0.000 2.703 31 S HA 0.867 5.337 4.470 -0.000 0.000 0.273 31 S C -1.155 173.440 174.600 -0.007 0.000 1.178 31 S CA -1.128 57.068 58.200 -0.007 0.000 0.838 31 S CB 2.574 65.770 63.200 -0.006 0.000 1.178 31 S HN 0.781 nan 8.310 nan 0.000 0.494 32 R N -0.722 119.773 120.500 -0.007 0.000 3.231 32 R HA 0.565 4.905 4.340 -0.000 0.000 0.279 32 R C -2.200 174.096 176.300 -0.007 0.000 0.990 32 R CA -0.702 55.394 56.100 -0.007 0.000 0.879 32 R CB 0.106 30.401 30.300 -0.008 0.000 1.289 32 R HN 0.558 nan 8.270 nan 0.000 0.529 33 E N 0.690 120.886 120.200 -0.006 0.000 2.301 33 E HA 0.475 4.825 4.350 -0.000 0.000 0.275 33 E C -1.358 175.238 176.600 -0.006 0.000 1.030 33 E CA -0.538 55.858 56.400 -0.006 0.000 0.852 33 E CB 1.929 31.627 29.700 -0.005 0.000 1.060 33 E HN 0.452 nan 8.360 nan 0.000 0.401 34 V N 3.346 123.256 119.914 -0.007 0.000 2.604 34 V HA 0.338 4.458 4.120 -0.000 0.000 0.305 34 V C -0.390 175.701 176.094 -0.006 0.000 1.043 34 V CA -0.611 61.685 62.300 -0.008 0.000 0.888 34 V CB 2.002 33.819 31.823 -0.010 0.000 0.995 34 V HN 0.773 nan 8.190 nan 0.000 0.429 35 S N 4.399 120.095 115.700 -0.006 0.000 2.563 35 S HA -0.054 4.416 4.470 -0.000 0.000 0.294 35 S C 0.329 174.926 174.600 -0.005 0.000 1.279 35 S CA 0.248 58.445 58.200 -0.005 0.000 1.069 35 S CB -0.030 63.167 63.200 -0.005 0.000 0.828 35 S HN 0.920 nan 8.310 nan 0.000 0.497 36 D N 4.449 124.847 120.400 -0.004 0.000 2.631 36 D HA 0.157 4.797 4.640 -0.000 0.000 0.227 36 D C -0.708 175.590 176.300 -0.003 0.000 1.146 36 D CA -0.227 53.771 54.000 -0.004 0.000 1.009 36 D CB -0.268 40.530 40.800 -0.003 0.000 1.057 36 D HN 0.633 nan 8.370 nan 0.000 0.509 37 T N 0.482 115.034 114.554 -0.004 0.000 2.921 37 T HA 0.310 4.660 4.350 -0.000 0.000 0.297 37 T C -1.712 172.986 174.700 -0.003 0.000 1.013 37 T CA -1.410 60.689 62.100 -0.003 0.000 0.990 37 T CB 2.028 70.894 68.868 -0.003 0.000 1.023 37 T HN -0.085 nan 8.240 nan 0.000 0.447 38 P HA -0.374 nan 4.420 nan 0.000 0.225 38 P C 1.630 178.929 177.300 -0.003 0.000 1.154 38 P CA 2.439 65.538 63.100 -0.002 0.000 0.933 38 P CB -0.258 31.441 31.700 -0.001 0.000 0.790 39 A N -0.626 122.192 122.820 -0.003 0.000 1.892 39 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 39 A C 2.589 180.170 177.584 -0.005 0.000 1.188 39 A CA 2.584 54.620 52.037 -0.003 0.000 0.631 39 A CB -1.610 17.388 19.000 -0.003 0.000 0.822 39 A HN 0.159 nan 8.150 nan 0.000 0.447 40 V N 0.003 119.914 119.914 -0.005 0.000 2.548 40 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 40 V C 2.564 178.653 176.094 -0.008 0.000 1.055 40 V CA 1.940 64.236 62.300 -0.007 0.000 1.065 40 V CB -0.836 30.983 31.823 -0.007 0.000 0.681 40 V HN 0.560 nan 8.190 nan 0.000 0.462 41 R N 0.540 121.036 120.500 -0.007 0.000 2.091 41 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 41 R C 2.473 178.769 176.300 -0.008 0.000 1.136 41 R CA 1.536 57.632 56.100 -0.007 0.000 0.959 41 R CB -0.901 29.396 30.300 -0.004 0.000 0.856 41 R HN 0.550 nan 8.270 nan 0.000 0.437 42 G N 1.643 110.440 108.800 -0.006 0.000 2.433 42 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 42 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 42 G C 1.485 176.379 174.900 -0.010 0.000 1.186 42 G CA 0.843 45.939 45.100 -0.006 0.000 0.779 42 G HN 0.044 nan 8.290 nan 0.000 0.543 43 M N 0.425 120.018 119.600 -0.012 0.000 2.226 43 M HA -0.177 4.303 4.480 -0.000 0.000 0.257 43 M C 2.716 179.000 176.300 -0.026 0.000 1.070 43 M CA 1.475 56.765 55.300 -0.017 0.000 1.087 43 M CB -1.535 31.055 32.600 -0.016 0.000 1.278 43 M HN 0.144 nan 8.290 nan 0.000 0.426 44 V N 0.209 120.108 119.914 -0.025 0.000 2.220 44 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 44 V C 2.461 178.532 176.094 -0.039 0.000 1.049 44 V CA 2.129 64.408 62.300 -0.034 0.000 1.003 44 V CB -0.934 30.874 31.823 -0.025 0.000 0.634 44 V HN 0.324 nan 8.190 nan 0.000 0.444 45 K N 0.184 120.571 120.400 -0.023 0.000 2.059 45 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 45 K C 2.284 178.875 176.600 -0.014 0.000 1.050 45 K CA 2.144 58.423 56.287 -0.013 0.000 0.927 45 K CB -1.226 31.273 32.500 -0.002 0.000 0.714 45 K HN 0.530 nan 8.250 nan 0.000 0.447 46 T N 0.020 114.564 114.554 -0.017 0.000 2.597 46 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 46 T C 1.156 175.832 174.700 -0.041 0.000 1.053 46 T CA 1.961 64.055 62.100 -0.010 0.000 1.165 46 T CB -0.201 68.660 68.868 -0.011 0.000 0.863 46 T HN 0.192 nan 8.240 nan 0.000 0.427 47 V N 0.317 120.163 119.914 -0.114 0.000 3.023 47 V HA 0.451 4.571 4.120 -0.000 0.000 0.384 47 V C 1.442 177.312 176.094 -0.374 0.000 1.289 47 V CA -0.430 61.697 62.300 -0.289 0.000 1.383 47 V CB -0.339 31.361 31.823 -0.204 0.000 1.388 47 V HN 0.314 nan 8.190 nan 0.000 0.551 48 K N 2.689 122.954 120.400 -0.225 0.000 1.988 48 K HA -0.301 4.019 4.320 -0.000 0.000 0.221 48 K C 2.085 178.596 176.600 -0.148 0.000 1.053 48 K CA 2.772 58.986 56.287 -0.121 0.000 0.959 48 K CB -0.515 31.979 32.500 -0.009 0.000 0.728 48 K HN 0.938 nan 8.250 nan 0.000 0.447 49 H N -0.298 118.772 119.070 -0.000 0.000 2.545 49 H HA -0.122 4.434 4.556 -0.000 0.000 0.294 49 H C 1.513 176.841 175.328 -0.000 0.000 1.083 49 H CA 1.610 57.658 56.048 -0.000 0.000 1.204 49 H CB -0.369 29.393 29.762 -0.000 0.000 1.350 49 H HN 0.266 nan 8.280 nan 0.000 0.582 50 L N -0.386 120.692 121.223 -0.240 0.000 2.425 50 L HA 0.248 4.588 4.340 -0.000 0.000 0.215 50 L C 0.503 177.336 176.870 -0.063 0.000 1.065 50 L CA -0.112 54.664 54.840 -0.106 0.000 0.842 50 L CB 0.210 42.170 42.059 -0.164 0.000 1.033 50 L HN 0.145 nan 8.230 nan 0.000 0.474 51 L N 0.523 121.697 121.223 -0.081 0.000 2.334 51 L HA 0.232 4.572 4.340 -0.000 0.000 0.277 51 L C 0.501 177.356 176.870 -0.026 0.000 1.075 51 L CA -0.104 54.707 54.840 -0.047 0.000 0.804 51 L CB 1.366 43.393 42.059 -0.054 0.000 1.174 51 L HN 0.039 nan 8.230 nan 0.000 0.438 52 E N 2.276 122.466 120.200 -0.016 0.000 2.122 52 E HA 0.128 4.478 4.350 -0.000 0.000 0.288 52 E C -0.623 175.972 176.600 -0.008 0.000 1.260 52 E CA -0.536 55.860 56.400 -0.007 0.000 1.344 52 E CB 0.432 30.130 29.700 -0.004 0.000 1.337 52 E HN 0.424 nan 8.360 nan 0.000 0.484 53 V N 4.852 124.760 119.914 -0.010 0.000 2.726 53 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 53 V C 1.775 177.866 176.094 -0.005 0.000 0.966 53 V CA 0.951 63.246 62.300 -0.009 0.000 1.185 53 V CB -0.617 31.201 31.823 -0.009 0.000 1.006 53 V HN 0.742 nan 8.190 nan 0.000 0.473 54 Q N 4.068 123.865 119.800 -0.005 0.000 1.914 54 Q HA -0.200 4.140 4.340 -0.000 0.000 0.222 54 Q C 0.676 176.675 176.000 -0.002 0.000 1.031 54 Q CA 2.259 58.060 55.803 -0.003 0.000 0.886 54 Q CB 0.259 28.995 28.738 -0.004 0.000 0.982 54 Q HN 0.872 nan 8.270 nan 0.000 0.417 55 E N 0.000 120.198 120.200 -0.003 0.000 2.725 55 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 55 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 55 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 55 E HN 0.000 nan 8.360 nan 0.000 0.440