Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 34850
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
REMARK File written by CcpNmrFormat converter.
DATA X_AXIS 1H 1 1024 11.032ppm -0.981ppm
DATA Y_AXIS 1H 1 1024 11.019ppm -0.968ppm
VARS INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT TROUBLE
FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %13e %13e %13e %.5f %d %s %4d %4d %4d
1 190.389 494.922 2.000 2.000 8.808 5.231 2012.196 5219.464 2.079 2.701 21.978 28.483 189 191 493 495 2.951588e+04 0.000000e+00 1.406424e+05 0.00000 1 1.H;1.HA 0 0 0
2 190.356 663.420 2.000 2.000 8.808 3.257 2011.848 6996.449 2.070 3.192 21.874 33.662 189 191 662 664 3.611375e+04 0.000000e+00 1.907956e+05 0.00000 1 1.H;1.HB2 0 0 0
3 190.364 675.565 2.000 2.000 8.808 3.114 2011.929 7124.527 2.048 2.958 21.644 31.197 189 191 674 676 5.059112e+04 0.000000e+00 2.539891e+05 0.00000 1 1.H;1.HB3 0 0 0
4 241.001 545.089 2.000 2.000 8.213 4.643 2547.107 5748.527 1.688 2.886 17.842 30.434 240 242 544 546 1.730876e+05 0.000000e+00 7.662028e+05 0.00000 1 3.H;3.HA 0 0 0
6 591.625 495.142 2.000 2.000 4.096 5.229 6252.797 5221.785 2.419 2.437 25.569 25.702 590 592 494 496 3.012999e+05 0.000000e+00 1.554269e+06 0.00000 1 2.HA;1.HA 0 0 0
8 591.666 880.501 2.000 2.000 4.096 0.713 6253.230 9285.791 2.357 2.450 24.913 25.842 590 592 879 881 9.309188e+04 0.000000e+00 4.821492e+05 0.00000 1 2.HA;2.HG1* 0 0 0
9 591.595 908.447 2.000 2.000 4.096 0.386 6252.483 9580.513 2.443 2.484 25.820 26.195 590 592 907 909 7.775412e+04 0.000000e+00 4.269542e+05 0.00000 1 2.HA;2.HG2* 0 0 0
10 591.559 760.082 2.000 2.000 4.097 2.124 6252.100 8015.846 2.269 2.908 23.980 30.663 590 592 759 761 3.484875e+04 0.000000e+00 1.869521e+05 0.00000 1 2.HA;2.HB 0 0 0
11 591.622 699.277 2.000 2.000 4.096 2.837 6252.766 7374.601 2.479 2.565 26.203 27.051 590 592 698 700 2.920812e+04 0.000000e+00 1.584616e+05 0.00000 1 2.HA;2.HN2 0 0 0
13 698.968 908.058 2.000 2.000 2.835 0.390 7387.297 9576.404 1.146 2.311 12.110 24.368 697 699 907 909 2.392828e+05 0.000000e+00 6.624042e+05 0.00000 1 2.HN2;2.HG2* 0 0 0
14 698.951 880.168 2.000 2.000 2.836 0.717 7387.119 9282.283 1.210 2.670 12.789 28.158 697 699 879 881 1.045766e+05 0.000000e+00 3.384506e+05 0.00000 1 2.HN2;2.HG1* 0 0 0
15 699.021 760.010 2.000 2.000 2.835 2.125 7387.857 8015.085 1.188 2.996 12.558 31.597 698 700 759 761 3.635819e+05 0.000000e+00 1.164404e+06 0.00000 1 2.HN2;2.HB 0 0 0
16 759.576 699.512 2.000 2.000 2.124 2.834 8027.851 7377.073 3.319 2.707 35.076 28.552 758 760 698 700 9.371488e+04 0.000000e+00 5.952325e+05 0.00000 1 2.HB;2.HN2 0 0 0
17 907.468 699.404 2.000 2.000 0.387 2.835 9590.905 7375.937 2.122 2.366 22.425 24.955 906 908 698 700 8.122038e+04 0.000000e+00 3.966741e+05 0.00000 1 2.HG2*;2.HN2 0 0 0
18 879.407 699.589 2.000 2.000 0.717 2.833 9294.330 7377.884 2.684 3.192 28.367 33.659 878 880 698 700 2.507762e+04 0.000000e+00 1.941471e+05 0.00000 1 2.HG1*;2.HN2 0 0 0
19 907.591 675.786 2.000 2.000 0.386 3.112 9592.197 7126.860 2.135 3.020 22.560 31.845 906 908 674 676 2.712738e+04 0.000000e+00 1.408535e+05 0.00000 1 2.HG2*;1.HB3 0 0 0
20 907.624 663.259 2.000 2.000 0.385 3.259 9592.544 6994.746 2.054 3.145 21.705 33.168 906 908 662 664 3.111712e+04 0.000000e+00 1.576992e+05 0.00000 1 2.HG2*;1.HB2 0 0 0
21 241.874 591.821 2.000 2.000 8.203 4.096 2556.329 6241.361 1.849 2.539 19.537 26.780 240 242 590 592 1.420216e+05 0.000000e+00 6.115101e+05 0.00000 1 3.H;2.HA 0 0 0
22 240.966 641.296 2.000 2.000 8.214 3.516 2546.734 6763.123 1.640 2.923 17.330 30.827 239 241 640 642 8.872550e+04 0.000000e+00 3.860226e+05 0.00000 1 10.H;9.HA2 0 0 0
23 545.005 641.419 2.000 2.000 4.643 3.515 5760.077 6764.420 3.499 3.203 36.981 33.784 544 546 640 642 4.578825e+04 0.000000e+00 3.908906e+05 0.00000 1 9.HA3;9.HA2 0 0 0
24 544.210 685.306 2.000 2.000 4.653 3.000 5751.678 7227.254 2.672 2.995 28.240 31.588 543 545 684 686 1.297188e+04 0.000000e+00 6.689625e+04 0.00000 1 9.HA3;9.HN1 0 0 0
25 641.132 544.963 2.000 2.000 3.515 4.645 6776.029 5747.192 3.535 3.018 37.359 31.831 640 642 543 545 2.143868e+05 0.000000e+00 2.042451e+06 0.00000 1 9.HA2;9.HA3 0 0 0
26 684.980 545.188 2.000 2.000 3.000 4.642 7239.458 5749.573 1.275 2.869 13.472 30.252 683 685 544 546 1.655109e+05 0.000000e+00 5.826109e+05 0.00000 1 9.HN1;9.HA3 0 0 0
27 699.006 591.764 2.000 2.000 2.835 4.096 7387.692 6240.760 1.181 2.651 12.481 27.954 698 700 590 592 5.868812e+04 0.000000e+00 1.817949e+05 0.00000 1 2.HN2;2.HA 0 0 0
28 879.809 591.787 2.000 2.000 0.712 4.096 9298.579 6241.004 1.784 2.500 18.855 26.366 878 880 590 592 1.074499e+05 0.000000e+00 4.333290e+05 0.00000 1 2.HG1*;2.HA 0 0 0
29 907.590 591.800 2.000 2.000 0.386 4.096 9592.188 6241.136 2.056 2.570 21.732 27.107 906 908 590 592 7.105738e+04 0.000000e+00 3.333010e+05 0.00000 1 2.HG2*;2.HA 0 0 0
30 240.957 772.267 2.000 2.000 8.214 1.981 2546.642 8144.352 1.659 2.853 17.534 30.091 239 241 771 773 8.366588e+04 0.000000e+00 3.623409e+05 0.00000 1 10.H;10.HB 0 0 0
31 240.951 857.636 2.000 2.000 8.214 0.981 2546.579 9044.655 1.683 2.777 17.784 29.289 239 241 856 858 7.863388e+04 0.000000e+00 3.403719e+05 0.00000 1 10.H;10.QG1 0 0 0
32 241.024 863.752 2.000 2.000 8.213 0.909 2547.350 9109.153 1.664 3.338 17.589 35.203 240 242 862 864 3.459575e+04 0.000000e+00 1.620142e+05 0.00000 1 10.H;10.QG2 0 0 0
33 856.963 545.286 2.000 2.000 0.980 4.641 9057.119 5750.602 1.460 2.547 15.433 26.863 855 857 544 546 1.041100e+05 0.000000e+00 3.871796e+05 0.00000 1 10.QG1;10.HA 0 0 0
34 863.226 545.368 2.000 2.000 0.907 4.640 9123.318 5751.468 1.998 2.668 21.118 28.135 862 864 544 546 1.125331e+05 0.000000e+00 5.221628e+05 0.00000 1 10.QG2;10.HA 0 0 0
35 241.879 495.047 2.000 2.000 8.203 5.230 2556.390 5220.783 1.833 2.540 19.375 26.788 240 242 494 496 6.819700e+04 0.000000e+00 2.842058e+05 0.00000 1 3.H;1.HA 0 0 0
36 546.037 772.271 2.000 2.000 4.631 1.981 5770.986 8144.399 1.212 3.057 12.812 32.237 545 547 771 773 1.988950e+04 0.000000e+00 6.710500e+04 0.00000 1 10.HA;10.HB 0 0 0
37 241.865 765.028 2.000 2.000 8.203 2.066 2556.232 8068.005 1.921 2.894 20.307 30.523 240 242 764 766 9.472662e+04 0.000000e+00 4.359202e+05 0.00000 1 3.H;3.HB 0 0 0
38 545.803 857.745 2.000 2.000 4.634 0.980 5768.516 9045.807 2.175 2.994 22.987 31.572 544 546 856 858 1.619688e+04 0.000000e+00 8.215688e+04 0.00000 1 10.HA;10.QG1 0 0 0
39 545.695 863.901 2.000 2.000 4.635 0.908 5767.378 9110.731 2.388 3.189 25.233 33.630 544 546 862 864 2.029450e+04 0.000000e+00 1.114519e+05 0.00000 1 10.HA;10.QG2 0 0 0
40 684.986 641.327 2.000 2.000 3.000 3.516 7239.524 6763.451 1.239 3.093 13.090 32.622 683 685 640 642 2.880432e+05 0.000000e+00 1.020065e+06 0.00000 1 9.HN1;9.HA2 0 0 0
41 697.993 640.220 2.000 2.000 2.847 3.529 7376.989 6751.785 1.515 4.253 16.009 44.853 696 698 639 641 7.581562e+04 0.000000e+00 3.428294e+05 0.00000 1 12.HN2;12.HA2 0 0 0
42 561.419 640.176 2.000 2.000 4.451 3.529 5933.560 6751.316 3.855 4.383 40.745 46.228 560 562 639 641 3.637400e+04 0.000000e+00 2.635915e+05 0.00000 1 12.HA3;12.HA2 0 0 0
43 640.088 561.446 2.000 2.000 3.527 4.452 6765.000 5921.029 4.126 4.042 43.611 42.624 639 641 560 562 4.477338e+04 0.000000e+00 3.268256e+05 0.00000 1 12.HA2;12.HA3 0 0 0
44 697.998 561.569 2.000 2.000 2.847 4.450 7377.043 5922.325 1.516 3.814 16.018 40.220 696 698 560 562 5.992475e+04 0.000000e+00 2.635558e+05 0.00000 1 12.HN2;12.HA3 0 0 0
45 697.911 864.018 2.000 2.000 2.848 0.906 7376.120 9111.964 1.600 3.022 16.911 31.867 696 698 863 865 1.083556e+05 0.000000e+00 4.788692e+05 0.00000 1 12.HN2;10.QG2 0 0 0
46 697.917 857.914 2.000 2.000 2.848 0.978 7376.183 9047.583 1.519 3.157 16.053 33.291 696 698 856 858 3.514112e+04 0.000000e+00 1.521555e+05 0.00000 1 12.HN2;10.QG1 0 0 0
47 544.911 765.063 2.000 2.000 4.645 2.066 5759.082 8068.381 1.607 2.827 16.980 29.818 543 545 764 766 1.236762e+04 0.000000e+00 5.171412e+04 0.00000 1 3.HA;3.HB 0 0 0
48 675.861 771.827 2.000 2.000 3.107 1.986 7143.074 8139.715 1.206 3.379 12.745 35.637 674 676 770 772 7.440462e+04 0.000000e+00 2.586948e+05 0.00000 1 11.HN1;10.HB 0 0 0
49 529.089 626.220 2.000 2.000 4.830 3.693 5591.872 6604.136 1.255 3.509 13.261 37.004 528 530 625 627 1.117038e+04 0.000000e+00 3.949675e+04 0.00000 1 6.HA2;6.HA3 0 0 0
50 190.341 561.397 2.000 2.000 8.808 4.452 2011.690 5920.513 1.994 3.817 21.074 40.254 189 191 560 562 4.361312e+04 0.000000e+00 2.221856e+05 0.00000 1 1.H;12.HA3 0 0 0
51 190.395 640.148 2.000 2.000 8.808 3.529 2012.262 6751.022 2.079 4.560 21.976 48.087 189 191 639 641 3.790688e+04 0.000000e+00 2.099826e+05 0.00000 1 1.H;12.HA2 0 0 0
52 680.203 626.135 2.000 2.000 3.056 3.694 7188.967 6603.241 1.759 3.089 18.594 32.582 679 681 625 627 2.376100e+05 0.000000e+00 1.024220e+06 0.00000 1 6.HN1;6.HA3 0 0 0
53 641.086 685.015 2.000 2.000 3.515 3.004 6775.548 7224.188 3.540 2.605 37.417 27.468 640 642 684 686 8.483675e+04 0.000000e+00 7.377541e+05 0.00000 1 9.HA2;9.HN1 0 0 0
54 675.631 545.038 2.000 2.000 3.110 4.644 7140.653 5747.993 1.993 3.162 21.059 33.350 674 676 544 546 5.348136e+05 0.000000e+00 2.772513e+06 0.00000 1 11.HN1;10.HA 0 0 0
55 241.874 880.416 2.000 2.000 8.203 0.714 2556.337 9284.894 1.861 2.954 19.670 31.155 240 242 879 881 3.112950e+04 0.000000e+00 1.446990e+05 0.00000 1 3.H;2.HG1* 0 0 0
56 241.636 676.468 2.000 2.000 8.206 3.104 2553.821 7134.055 4.058 3.431 42.893 36.183 240 242 675 677 9.087125e+03 0.000000e+00 1.198678e+05 0.00000 1 3.H;4.HN2 0 0 0
57 544.854 240.592 2.000 2.000 4.645 8.211 5758.485 2537.290 3.557 4.438 37.598 46.798 543 545 239 241 6.337625e+03 0.000000e+00 6.890700e+04 0.00000 1 3.HA;3.H 0 0 0
58 591.692 241.086 2.000 2.000 4.095 8.206 6253.507 2542.502 2.468 2.443 26.082 25.768 590 592 240 242 1.071378e+05 0.000000e+00 5.553038e+05 0.00000 1 2.HA;3.H 0 0 0
59 641.350 241.465 2.000 2.000 3.512 8.201 6778.334 2546.499 3.538 3.031 37.393 31.970 640 642 240 242 2.711975e+04 0.000000e+00 2.893145e+05 0.00000 1 9.HA2;10.H 0 0 0
60 676.078 240.934 2.000 2.000 3.104 8.207 7145.373 2540.895 1.586 2.584 16.757 27.247 675 677 239 241 5.925612e+04 0.000000e+00 2.325036e+05 0.00000 1 4.HN2;3.H 0 0 0
61 764.557 241.065 2.000 2.000 2.065 8.206 8080.493 2542.275 2.906 2.553 30.711 26.928 763 765 240 242 6.358125e+04 0.000000e+00 3.572626e+05 0.00000 1 3.HB;3.H 0 0 0
62 856.954 240.162 2.000 2.000 0.980 8.216 9057.023 2532.755 1.423 2.483 15.039 26.181 855 857 239 241 7.300488e+04 0.000000e+00 2.646450e+05 0.00000 1 10.QG1;10.H 0 0 0
63 879.836 241.058 2.000 2.000 0.712 8.206 9298.861 2542.203 1.718 2.705 18.157 28.530 878 880 240 242 2.676300e+04 0.000000e+00 1.112615e+05 0.00000 1 2.HG1*;3.H 0 0 0
64 332.312 331.933 2.000 2.000 7.141 7.141 3512.157 3500.572 1.881 2.159 19.878 22.767 331 333 330 332 2.538588e+06 0.000000e+00 9.748462e+06 0.00000 1 1.HD1;1.HD1 0 0 0
65 288.072 287.574 2.000 2.000 7.661 7.661 3044.593 3032.764 1.652 2.442 17.462 25.754 287 289 286 288 1.555256e+06 0.000000e+00 6.437387e+06 0.00000 1 1.HE3;1.HE3 0 0 0
66 314.436 314.086 2.000 2.000 7.351 7.350 3323.227 3312.357 2.093 2.283 22.125 24.074 313 315 313 315 1.821526e+06 0.000000e+00 8.308175e+06 0.00000 1 1.HZ2;1.HZ2 0 0 0
67 288.022 495.094 2.000 2.000 7.661 5.229 3044.068 5221.274 1.543 2.507 16.312 26.436 287 289 494 496 5.475962e+04 0.000000e+00 2.112874e+05 0.00000 1 1.HE3;1.HA 0 0 0
68 332.263 495.082 2.000 2.000 7.142 5.229 3511.638 5221.150 1.766 2.451 18.667 25.846 331 333 494 496 2.280150e+04 0.000000e+00 8.368100e+04 0.00000 1 1.HD1;1.HA 0 0 0
69 288.035 591.802 2.000 2.000 7.661 4.096 3044.203 6241.164 1.580 2.523 16.699 26.612 287 289 590 592 2.377525e+04 0.000000e+00 9.647925e+04 0.00000 1 1.HE3;2.HA 0 0 0
70 288.017 663.251 2.000 2.000 7.661 3.259 3044.010 6994.663 1.661 2.889 17.550 30.464 287 289 662 664 4.355912e+04 0.000000e+00 1.921921e+05 0.00000 1 1.HE3;1.HB2 0 0 0
71 332.249 663.217 2.000 2.000 7.142 3.259 3511.489 6994.310 1.766 2.675 18.661 28.210 331 333 662 664 6.867688e+04 0.000000e+00 2.727691e+05 0.00000 1 1.HD1;1.HB2 0 0 0
72 287.998 675.498 2.000 2.000 7.662 3.115 3043.806 7123.820 1.634 3.014 17.268 31.786 286 288 674 676 5.514050e+04 0.000000e+00 2.412122e+05 0.00000 1 1.HE3;1.HB3 0 0 0
73 332.241 675.363 2.000 2.000 7.142 3.117 3511.403 7122.397 1.754 2.989 18.534 31.523 331 333 674 676 5.274900e+04 0.000000e+00 2.158120e+05 0.00000 1 1.HD1;1.HB3 0 0 0
74 288.000 908.521 2.000 2.000 7.662 0.385 3043.831 9581.295 1.561 2.595 16.501 27.368 286 288 907 909 3.909912e+04 0.000000e+00 1.558352e+05 0.00000 1 1.HE3;2.HG2* 0 0 0
75 332.251 908.303 2.000 2.000 7.142 0.387 3511.509 9578.992 1.856 2.358 19.615 24.872 331 333 907 909 2.700112e+04 0.000000e+00 1.040320e+05 0.00000 1 1.HD1;2.HG2* 0 0 0
76 287.973 880.615 2.000 2.000 7.662 0.712 3043.543 9286.997 1.578 2.812 16.680 29.654 286 288 879 881 1.124788e+04 0.000000e+00 4.861838e+04 0.00000 1 1.HE3;2.HG1* 0 0 0
77 241.904 908.467 2.000 2.000 8.203 0.385 2556.649 9580.719 1.773 2.679 18.739 28.249 240 242 907 909 1.766025e+04 0.000000e+00 7.900125e+04 0.00000 1 3.H;2.HG2* 0 0 0
78 663.600 331.931 2.000 2.000 3.251 7.141 7013.491 3500.553 2.799 2.114 29.586 22.299 662 664 330 332 3.282262e+04 0.000000e+00 1.398329e+05 0.00000 1 1.HB2;1.HD1 0 0 0
79 675.089 331.968 2.000 2.000 3.116 7.141 7134.918 3500.945 2.589 2.097 27.357 22.120 674 676 330 332 3.377388e+04 0.000000e+00 1.666890e+05 0.00000 1 1.HB3;1.HD1 0 0 0
80 675.241 287.439 2.000 2.000 3.114 7.662 7136.531 3031.337 2.926 2.465 30.924 26.000 674 676 286 288 3.553662e+04 0.000000e+00 2.103362e+05 0.00000 1 1.HB3;1.HE3 0 0 0
81 907.575 287.287 2.000 2.000 0.386 7.664 9592.031 3029.742 2.023 2.413 21.385 25.447 906 908 286 288 2.251412e+04 0.000000e+00 9.917325e+04 0.00000 1 2.HG2*;1.HE3 0 0 0
82 907.331 760.059 2.000 2.000 0.389 2.124 9589.450 8015.606 2.026 3.001 21.409 31.645 906 908 759 761 1.413055e+05 0.000000e+00 6.738941e+05 0.00000 1 2.HG2*;2.HB 0 0 0
83 879.612 760.045 2.000 2.000 0.714 2.125 9296.500 8015.454 1.713 3.179 18.103 33.525 878 880 759 761 1.741230e+05 0.000000e+00 7.680886e+05 0.00000 1 2.HG1*;2.HB 0 0 0
84 759.536 908.278 2.000 2.000 2.124 0.388 8027.432 9578.733 3.296 2.303 34.833 24.284 758 760 907 909 1.116960e+05 0.000000e+00 6.139965e+05 0.00000 1 2.HB;2.HG2* 0 0 0
85 759.015 880.436 2.000 2.000 2.130 0.714 8021.918 9285.103 3.613 2.807 38.187 29.599 758 760 879 881 1.045344e+05 0.000000e+00 6.423012e+05 0.00000 1 2.HB;2.HG1* 0 0 0
86 907.610 495.039 2.000 2.000 0.385 5.230 9592.399 5220.692 2.059 2.471 21.760 26.055 906 908 494 496 6.800412e+04 0.000000e+00 3.053442e+05 0.00000 1 2.HG2*;1.HA 0 0 0
87 879.531 495.251 2.000 2.000 0.715 5.227 9295.639 5222.929 1.879 2.648 19.855 27.922 878 880 494 496 4.876462e+04 0.000000e+00 2.037990e+05 0.00000 1 2.HG1*;1.HA 0 0 0
88 626.081 529.622 2.000 2.000 3.691 4.825 6616.956 5585.412 3.523 3.134 37.239 33.047 625 627 528 530 1.768705e+05 0.000000e+00 1.723075e+06 0.00000 1 6.HA3;6.HA2 0 0 0
90 561.316 698.254 2.000 2.000 4.452 2.849 5932.473 7363.805 3.877 2.698 40.970 28.454 560 562 697 699 1.527650e+04 0.000000e+00 9.654112e+04 0.00000 1 12.HA3;12.HN2 0 0 0
93 680.221 529.826 2.000 2.000 3.056 4.822 7189.156 5587.558 1.807 3.181 19.093 33.543 679 681 528 530 1.082518e+05 0.000000e+00 4.751490e+05 0.00000 1 6.HN1;6.HA2 0 0 0
94 763.729 500.209 2.000 2.000 2.075 5.169 8071.747 5275.216 3.030 2.512 32.023 26.494 762 764 499 501 3.102438e+04 0.000000e+00 1.747725e+05 0.00000 1 11.HB;11.HA 0 0 0
95 241.796 867.982 2.000 2.000 8.204 0.860 2555.506 9153.766 2.109 7.130 22.287 75.191 240 242 866 868 2.702475e+04 0.000000e+00 1.470341e+05 0.00000 1 3.H;3.QG2 0 0 0
96 241.741 871.838 2.000 2.000 8.205 0.815 2554.924 9194.430 2.096 8.080 22.151 85.209 240 242 870 872 2.266238e+04 0.000000e+00 1.122618e+05 0.00000 1 3.H;3.QD1 0 0 0
97 698.878 241.050 2.000 2.000 2.837 8.206 7386.341 2542.120 1.587 2.519 16.775 26.571 697 699 240 242 2.540812e+04 0.000000e+00 9.722850e+04 0.00000 1 2.HN2;3.H 0 0 0
98 867.046 240.883 2.000 2.000 0.862 8.208 9163.689 2540.357 2.006 2.627 21.201 27.703 866 868 239 241 2.732938e+04 0.000000e+00 1.284198e+05 0.00000 1 3.QG2;3.H 0 0 0
99 870.861 240.875 2.000 2.000 0.817 8.208 9204.003 2540.275 6.171 2.800 65.219 29.532 869 871 239 241 1.718850e+04 0.000000e+00 8.666012e+04 0.00000 1 3.QD1;3.H 0 0 0
100 764.330 544.041 2.000 2.000 2.068 4.656 8078.100 5737.474 3.057 2.953 32.306 31.145 763 765 543 545 4.308800e+04 0.000000e+00 2.548596e+05 0.00000 1 3.HB;3.HA 0 0 0
101 866.939 543.935 2.000 2.000 0.863 4.657 9162.556 5736.354 1.661 2.739 17.554 28.888 865 867 542 544 1.264265e+05 0.000000e+00 5.352852e+05 0.00000 1 3.QG2;3.HA 0 0 0
102 870.983 543.836 2.000 2.000 0.815 4.658 9205.301 5735.312 2.195 2.925 23.203 30.848 869 871 542 544 8.136125e+04 0.000000e+00 4.134896e+05 0.00000 1 3.QD1;3.HA 0 0 0
103 676.953 744.727 2.000 2.000 3.094 2.304 7154.624 7853.910 1.262 3.083 13.339 32.519 675 677 743 745 3.350476e+05 0.000000e+00 1.192611e+06 0.00000 1 4.HN2;4.HB 0 0 0
104 676.957 876.978 2.000 2.000 3.094 0.754 7154.658 9248.637 1.257 2.551 13.282 26.905 675 677 875 877 4.979974e+05 0.000000e+00 1.638168e+06 0.00000 1 4.HN2;4.HG1* 0 0 0
105 684.985 240.157 2.000 2.000 3.000 8.216 7239.506 2532.707 1.191 2.330 12.592 24.576 683 685 239 241 2.655862e+04 0.000000e+00 7.841162e+04 0.00000 1 9.HN1;10.H 0 0 0
106 241.954 698.877 2.000 2.000 8.202 2.841 2557.173 7370.381 3.978 2.510 42.043 26.471 240 242 697 699 5.119000e+03 0.000000e+00 5.605525e+04 0.00000 1 3.H;2.HN2 0 0 0
107 544.132 867.679 2.000 2.000 4.654 0.863 5750.852 9150.567 2.277 2.396 24.064 25.271 543 545 866 868 1.805612e+04 0.000000e+00 8.817438e+04 0.00000 1 3.HA;3.QG2 0 0 0
108 543.837 876.932 2.000 2.000 4.657 0.755 5747.740 9248.150 2.656 5.699 28.075 60.098 542 544 875 877 3.844875e+03 0.000000e+00 2.081075e+04 0.00000 1 3.HA;4.HG1* 0 0 0
109 544.679 676.606 2.000 2.000 4.647 3.102 5756.634 7135.503 3.259 2.541 34.439 26.801 543 545 675 677 6.688788e+04 0.000000e+00 4.074179e+05 0.00000 1 3.HA;4.HN2 0 0 0
110 676.892 543.769 2.000 2.000 3.095 4.659 7153.972 5734.609 1.650 2.721 17.435 28.698 675 677 542 544 6.191406e+05 0.000000e+00 2.622598e+06 0.00000 1 4.HN2;3.HA 0 0 0
111 698.857 543.769 2.000 2.000 2.837 4.659 7386.121 5734.609 1.475 3.010 15.586 31.744 697 699 542 544 2.825812e+04 0.000000e+00 1.168020e+05 0.00000 1 2.HN2;3.HA 0 0 0
112 876.262 543.931 2.000 2.000 0.753 4.657 9261.085 5736.310 2.096 2.834 22.156 29.889 875 877 542 544 3.212150e+04 0.000000e+00 1.576989e+05 0.00000 1 4.HG1*;3.HA 0 0 0
113 876.129 499.873 2.000 2.000 0.755 5.173 9259.688 5271.679 1.947 3.155 20.579 33.268 875 877 498 500 1.840275e+05 0.000000e+00 9.053962e+05 0.00000 1 4.HG1*;4.HA 0 0 0
114 676.894 499.291 2.000 2.000 3.095 5.180 7153.997 5265.535 2.087 2.912 22.052 30.710 675 677 498 500 9.149638e+04 0.000000e+00 4.526136e+05 0.00000 1 4.HN2;4.HA 0 0 0
115 663.549 495.111 2.000 2.000 3.251 5.229 7012.952 5221.460 2.822 2.322 29.827 24.488 662 664 494 496 6.086588e+04 0.000000e+00 2.907799e+05 0.00000 1 1.HB2;1.HA 0 0 0
116 675.993 840.117 2.000 2.000 3.105 1.186 7144.473 8859.897 1.219 3.301 12.879 34.813 674 676 839 841 1.210148e+05 0.000000e+00 4.251288e+05 0.00000 1 11.HN1;11.HG13 0 0 0
117 675.830 857.670 2.000 2.000 3.107 0.981 7142.749 9045.013 1.266 3.464 13.375 36.534 674 676 856 858 7.073188e+04 0.000000e+00 2.668788e+05 0.00000 1 11.HN1;10.QG1 0 0 0
118 839.755 676.306 2.000 2.000 1.182 3.106 8875.252 7132.348 4.088 2.568 43.204 27.079 838 840 675 677 4.644562e+04 0.000000e+00 2.918778e+05 0.00000 1 11.HG13;11.HN1 0 0 0
119 857.100 676.395 2.000 2.000 0.978 3.105 9058.569 7133.283 1.516 2.464 16.026 25.985 856 858 675 677 4.830175e+04 0.000000e+00 1.932081e+05 0.00000 1 10.QG1;11.HN1 0 0 0
120 694.051 499.173 2.000 2.000 2.893 5.181 7335.322 5264.299 1.277 2.614 13.499 27.572 693 695 498 500 5.799178e+05 0.000000e+00 1.940287e+06 0.00000 1 5.HN2;4.HA 0 0 0
121 703.936 743.110 2.000 2.000 2.777 2.323 7439.802 7836.864 1.259 3.660 13.305 38.601 702 704 742 744 1.975275e+04 0.000000e+00 7.364025e+04 0.00000 1 8.HN1;7.HB 0 0 0
122 693.800 831.677 2.000 2.000 2.896 1.285 7332.676 8770.892 1.776 3.064 18.766 32.312 692 694 830 832 1.240840e+05 0.000000e+00 5.386535e+05 0.00000 1 7.HN3;8.HG12 0 0 0
123 703.989 831.577 2.000 2.000 2.777 1.286 7440.355 8769.840 1.271 2.999 13.432 31.624 702 704 830 832 1.419085e+05 0.000000e+00 5.122064e+05 0.00000 1 8.HN1;8.HG12 0 0 0
124 684.940 704.438 2.000 2.000 3.000 2.776 7239.032 7429.020 1.405 3.012 14.852 31.766 683 685 703 705 8.008750e+04 0.000000e+00 3.190131e+05 0.00000 1 9.HN1;8.HN1 0 0 0
125 703.931 685.405 2.000 2.000 2.777 2.999 7439.749 7228.302 1.231 2.951 13.009 31.118 702 704 684 686 8.134712e+04 0.000000e+00 2.841132e+05 0.00000 1 8.HN1;9.HN1 0 0 0
126 703.991 840.054 2.000 2.000 2.776 1.187 7440.386 8859.239 1.229 3.690 12.986 38.917 702 704 839 841 4.475600e+04 0.000000e+00 1.632936e+05 0.00000 1 8.HN1;11.HG13 0 0 0
127 703.920 694.349 2.000 2.000 2.777 2.894 7439.635 7322.621 1.211 2.446 12.796 25.795 702 704 693 695 2.573180e+05 0.000000e+00 8.574132e+05 0.00000 1 8.HN1;7.HN3 0 0 0
128 693.963 704.052 2.000 2.000 2.894 2.781 7334.401 7424.959 1.506 2.874 15.917 30.313 692 694 703 705 2.413844e+05 0.000000e+00 9.903010e+05 0.00000 1 7.HN3;8.HN1 0 0 0
129 694.009 676.543 2.000 2.000 2.894 3.103 7334.884 7134.842 1.349 3.984 14.260 42.010 693 695 675 677 1.274125e+05 0.000000e+00 5.138548e+05 0.00000 1 5.HN2;4.HN2 0 0 0
130 693.721 680.796 2.000 2.000 2.897 3.053 7331.838 7179.697 1.441 2.896 15.231 30.539 692 694 679 681 1.639000e+05 0.000000e+00 6.510915e+05 0.00000 1 5.HN2;6.HN1 0 0 0
131 680.170 694.211 2.000 2.000 3.056 2.896 7188.619 7321.173 2.149 2.924 22.708 30.839 679 681 693 695 1.404620e+05 0.000000e+00 6.785470e+05 0.00000 1 6.HN1;5.HN2 0 0 0
132 626.127 693.794 2.000 2.000 3.691 2.901 6617.452 7316.771 3.517 2.616 37.169 27.585 625 627 692 694 1.153139e+05 0.000000e+00 9.937965e+05 0.00000 1 6.HA3;5.HN2 0 0 0
133 626.033 680.506 2.000 2.000 3.692 3.057 6616.451 7176.634 3.543 2.771 37.450 29.220 625 627 679 681 9.190825e+04 0.000000e+00 8.281030e+05 0.00000 1 6.HA3;6.HN1 0 0 0
134 703.886 863.019 2.000 2.000 2.778 0.918 7439.274 9101.421 1.315 3.381 13.902 35.660 702 704 862 864 2.038911e+05 0.000000e+00 7.680636e+05 0.00000 1 8.HN1;8.HG21 0 0 0
137 862.396 704.222 2.000 2.000 0.916 2.779 9114.540 7426.750 2.967 3.139 31.362 33.103 861 863 703 705 8.665238e+04 0.000000e+00 5.289419e+05 0.00000 1 8.HG21;8.HN1 0 0 0
138 876.016 694.333 2.000 2.000 0.756 2.894 9258.487 7322.454 1.755 2.490 18.553 26.257 875 877 693 695 1.467255e+05 0.000000e+00 6.428236e+05 0.00000 1 4.HG1*;5.HN2 0 0 0
139 876.192 677.084 2.000 2.000 0.754 3.097 9260.349 7140.553 2.046 2.256 21.619 23.789 875 877 676 678 2.741762e+05 0.000000e+00 1.175119e+06 0.00000 1 4.HG1*;4.HN2 0 0 0
140 839.799 764.641 2.000 2.000 1.182 2.071 8875.715 8063.932 5.357 3.425 56.613 36.124 838 840 763 765 5.384500e+04 0.000000e+00 3.816334e+05 0.00000 1 11.HG13;11.HG12 0 0 0
141 876.628 744.680 2.000 2.000 0.749 2.305 9264.961 7853.422 2.276 3.130 24.059 33.006 875 877 743 745 1.657202e+05 0.000000e+00 8.915516e+05 0.00000 1 4.HG1*;4.HB 0 0 0
142 763.631 840.618 2.000 2.000 2.076 1.180 8070.707 8865.181 3.148 5.105 33.267 53.838 762 764 839 841 7.250175e+04 0.000000e+00 5.046392e+05 0.00000 1 11.HG12;11.HG13 0 0 0
144 684.832 863.731 2.000 2.000 3.001 0.910 7237.896 9108.932 1.296 2.471 13.694 26.063 683 685 862 864 3.317996e+05 0.000000e+00 1.143007e+06 0.00000 1 9.HN1;10.QG2 0 0 0
145 591.641 675.804 2.000 2.000 4.096 3.112 6252.973 7127.047 2.520 3.308 26.638 34.885 590 592 674 676 3.108425e+04 0.000000e+00 1.885036e+05 0.00000 1 2.HA;1.HB3 0 0 0
146 591.555 663.370 2.000 2.000 4.097 3.257 6252.058 6995.923 2.513 2.769 26.558 29.197 590 592 662 664 2.446525e+04 0.000000e+00 1.397145e+05 0.00000 1 2.HA;1.HB2 0 0 0
147 663.309 675.262 2.000 2.000 3.254 3.118 7010.424 7121.338 2.707 2.805 28.611 29.577 662 664 674 676 3.448299e+05 0.000000e+00 2.146238e+06 0.00000 1 1.HB2;1.HB3 0 0 0
148 674.948 663.485 2.000 2.000 3.118 3.256 7133.434 6997.134 2.645 3.236 27.956 34.126 673 675 662 664 4.036734e+05 0.000000e+00 2.422922e+06 0.00000 1 1.HB3;1.HB2 0 0 0
149 663.525 591.827 2.000 2.000 3.252 4.096 7012.706 6241.427 2.814 2.855 29.741 30.114 662 664 590 592 2.219900e+04 0.000000e+00 1.162140e+05 0.00000 1 1.HB2;2.HA 0 0 0
150 675.788 591.829 2.000 2.000 3.108 4.096 7142.303 6241.446 2.557 2.963 27.025 31.245 674 676 590 592 3.745175e+04 0.000000e+00 1.930015e+05 0.00000 1 1.HB3;2.HA 0 0 0
151 674.714 495.076 2.000 2.000 3.120 5.229 7130.958 5221.091 3.086 2.617 32.615 27.604 673 675 494 496 7.523312e+04 0.000000e+00 4.578039e+05 0.00000 1 1.HB3;1.HA 0 0 0
152 698.792 495.016 2.000 2.000 2.838 5.230 7385.433 5220.450 1.448 2.948 15.300 31.091 697 699 494 496 3.533250e+04 0.000000e+00 1.479292e+05 0.00000 1 2.HN2;1.HA 0 0 0
153 698.129 772.070 2.000 2.000 2.845 1.984 7378.422 8142.275 1.715 3.122 18.125 32.927 697 699 771 773 2.500625e+04 0.000000e+00 1.136834e+05 0.00000 1 12.HN2;10.HB 0 0 0
154 675.921 698.679 2.000 2.000 3.106 2.844 7143.715 7368.287 1.971 3.069 20.828 32.362 674 676 697 699 7.046688e+04 0.000000e+00 3.418755e+05 0.00000 1 1.HB3;12.HN2 0 0 0
155 684.767 831.890 2.000 2.000 3.002 1.283 7237.209 8773.143 1.422 3.328 15.028 35.101 683 685 830 832 1.596012e+04 0.000000e+00 6.526388e+04 0.00000 1 9.HN1;8.HG12 0 0 0
156 190.429 698.586 2.000 2.000 8.807 2.845 2012.621 7367.311 2.134 3.112 22.553 32.822 189 191 697 699 1.671438e+04 0.000000e+00 8.778725e+04 0.00000 1 1.H;2.HN2 0 0 0
157 907.595 241.155 2.000 2.000 0.386 8.205 9592.245 2543.232 1.933 2.542 20.426 26.809 906 908 240 242 9.363000e+03 0.000000e+00 3.991400e+04 0.00000 1 2.HG2*;3.H 0 0 0
158 759.719 591.812 2.000 2.000 2.122 4.096 8029.358 6241.267 3.091 2.493 32.665 26.294 758 760 590 592 2.349612e+04 0.000000e+00 1.366441e+05 0.00000 1 2.HB;2.HA 0 0 0
159 771.853 240.161 2.000 2.000 1.980 8.216 8157.603 2532.749 2.899 2.349 30.644 24.775 770 772 239 241 5.558188e+04 0.000000e+00 2.914212e+05 0.00000 1 10.HB;10.H 0 0 0
160 287.996 189.783 2.000 2.000 7.662 8.807 3043.791 2001.457 1.509 2.604 15.947 27.462 286 288 188 190 1.493900e+04 0.000000e+00 5.835550e+04 0.00000 1 1.HE3;1.H 0 0 0
161 190.290 287.356 2.000 2.000 8.809 7.663 2011.151 3030.464 1.940 2.519 20.505 26.566 189 191 286 288 1.113338e+04 0.000000e+00 5.183112e+04 0.00000 1 1.H;1.HE3 0 0 0
162 561.400 189.740 2.000 2.000 4.451 8.807 5933.356 2001.001 4.093 2.724 43.262 28.730 560 562 188 190 1.413650e+04 0.000000e+00 8.833138e+04 0.00000 1 12.HA3;1.H 0 0 0
163 640.606 189.708 2.000 2.000 3.521 8.808 6770.470 2000.663 4.057 2.530 42.878 26.683 639 641 188 190 1.593138e+04 0.000000e+00 9.680288e+04 0.00000 1 12.HA2;1.H 0 0 0
164 663.441 189.647 2.000 2.000 3.253 8.808 7011.810 2000.022 2.665 2.474 28.169 26.090 662 664 188 190 3.212038e+04 0.000000e+00 1.891016e+05 0.00000 1 1.HB2;1.H 0 0 0
165 675.307 189.547 2.000 2.000 3.113 8.809 7137.221 1998.972 2.948 2.625 31.162 27.683 674 676 188 190 4.036912e+04 0.000000e+00 2.455035e+05 0.00000 1 1.HB3;1.H 0 0 0
166 698.088 189.463 2.000 2.000 2.846 8.810 7377.990 1998.088 2.047 2.779 21.629 29.309 697 699 188 190 2.037438e+04 0.000000e+00 9.636112e+04 0.00000 1 12.HN2;1.H 0 0 0
167 663.416 287.394 2.000 2.000 3.253 7.663 7011.549 3030.863 2.726 2.357 28.810 24.853 662 664 286 288 2.599025e+04 0.000000e+00 1.476978e+05 0.00000 1 1.HB2;1.HE3 0 0 0
168 698.572 331.740 2.000 2.000 2.840 7.143 7383.105 3498.538 1.992 2.670 21.057 28.155 697 699 330 332 1.859175e+04 0.000000e+00 8.514400e+04 0.00000 1 2.HN2;1.HD1 0 0 0
169 332.256 698.878 2.000 2.000 7.142 2.841 3511.564 7370.392 1.889 2.863 19.961 30.190 331 333 697 699 2.014350e+04 0.000000e+00 7.975650e+04 0.00000 1 1.HD1;2.HN2 0 0 0
170 332.263 189.720 2.000 2.000 7.142 8.807 3511.638 2000.792 1.809 2.350 19.114 24.780 331 333 188 190 1.586375e+04 0.000000e+00 6.099575e+04 0.00000 1 1.HD1;1.H 0 0 0
173 591.654 764.932 2.000 2.000 4.096 2.067 6253.110 8066.998 2.599 3.438 27.471 36.257 590 592 763 765 1.219075e+04 0.000000e+00 7.490888e+04 0.00000 1 2.HA;3.HB 0 0 0
174 332.207 591.788 2.000 2.000 7.142 4.096 3511.051 6241.015 1.705 2.722 18.022 28.709 331 333 590 592 1.045075e+04 0.000000e+00 4.015188e+04 0.00000 1 1.HD1;2.HA 0 0 0
175 287.983 698.744 2.000 2.000 7.662 2.843 3043.653 7368.975 1.634 2.911 17.265 30.696 286 288 697 699 1.095225e+04 0.000000e+00 4.772988e+04 0.00000 1 1.HE3;2.HN2 0 0 0
176 591.473 287.463 2.000 2.000 4.098 7.662 6251.198 3031.599 2.280 2.459 24.101 25.930 590 592 286 288 1.350400e+04 0.000000e+00 6.639138e+04 0.00000 1 2.HA;1.HE3 0 0 0
177 698.844 287.230 2.000 2.000 2.837 7.665 7385.988 3029.136 1.746 2.432 18.450 25.645 697 699 286 288 1.245225e+04 0.000000e+00 4.916538e+04 0.00000 1 2.HN2;1.HE3 0 0 0
178 591.783 189.770 2.000 2.000 4.094 8.807 6254.466 2001.319 2.412 2.297 25.496 24.222 590 592 188 190 1.028825e+04 0.000000e+00 5.270638e+04 0.00000 1 2.HA;1.H 0 0 0
179 190.355 591.905 2.000 2.000 8.808 4.095 2011.835 6242.252 2.112 2.635 22.322 27.792 189 191 590 592 1.340200e+04 0.000000e+00 6.498225e+04 0.00000 1 1.H;2.HA 0 0 0
180 764.187 591.712 2.000 2.000 2.070 4.097 8076.583 6240.209 8.568 2.914 90.556 30.736 763 765 590 592 9.079375e+03 0.000000e+00 5.702100e+04 0.00000 1 3.HB;2.HA 0 0 0
181 771.813 545.497 2.000 2.000 1.980 4.639 8157.181 5752.824 2.773 2.654 29.302 27.989 770 772 544 546 4.510238e+04 0.000000e+00 2.589140e+05 0.00000 1 10.HB;10.HA 0 0 0
182 764.708 561.101 2.000 2.000 2.063 4.456 8082.087 5917.393 2.450 3.566 25.894 37.609 763 765 560 562 7.493875e+03 0.000000e+00 4.216750e+04 0.00000 1 3.HB;12.HA3 0 0 0
183 871.093 561.564 2.000 2.000 0.814 4.450 9206.456 5922.274 2.055 3.969 21.716 41.856 870 872 560 562 1.350938e+04 0.000000e+00 7.276525e+04 0.00000 1 3.QD1;12.HA3 0 0 0
184 675.614 561.198 2.000 2.000 3.110 4.455 7140.467 5918.413 1.518 3.285 16.040 34.645 674 676 560 562 1.062888e+04 0.000000e+00 4.684288e+04 0.00000 1 11.HN1;12.HA3 0 0 0
185 640.030 698.432 2.000 2.000 3.528 2.846 6764.390 7365.681 4.705 3.197 49.723 33.715 639 641 697 699 2.423025e+04 0.000000e+00 1.676749e+05 0.00000 1 12.HA2;12.HN2 0 0 0
186 839.503 500.289 2.000 2.000 1.185 5.168 8872.588 5276.066 3.423 2.573 36.180 27.138 838 840 499 501 2.000062e+04 0.000000e+00 1.190631e+05 0.00000 1 11.HG13;11.HA 0 0 0
188 241.709 561.673 2.000 2.000 8.205 4.449 2554.593 5923.424 3.069 9.834 32.441 103.713 240 242 560 562 3.212500e+02 0.000000e+00 1.102012e+04 0.00000 1 3.H;12.HA3 0 0 0
193 626.298 864.177 2.000 2.000 3.689 0.904 6619.254 9113.639 3.608 3.395 38.131 35.805 625 627 863 865 1.222212e+04 0.000000e+00 1.181196e+05 0.00000 1 6.HA3; 0 0 0
195 241.899 876.490 2.000 2.000 8.203 0.760 2556.596 9243.495 1.788 2.352 18.901 24.808 240 242 875 877 1.143325e+04 0.000000e+00 4.043100e+04 0.00000 1 10.H;4.HG1* 0 0 0
196 529.760 680.493 2.000 2.000 4.822 3.057 5598.963 7176.499 2.794 2.492 29.533 26.276 528 530 679 681 1.977375e+03 0.000000e+00 1.077138e+04 0.00000 1 6.HA2;6.HN1 0 0 0
197 529.247 693.900 2.000 2.000 4.829 2.900 5593.536 7317.889 1.922 2.693 20.316 28.395 528 530 692 694 4.511875e+03 0.000000e+00 1.678588e+04 0.00000 1 6.HA2;5.HN2 0 0 0
198 676.223 694.081 2.000 2.000 3.103 2.897 7146.910 7319.801 2.435 2.803 25.739 29.560 675 677 693 695 9.811775e+04 0.000000e+00 5.131314e+05 0.00000 1 4.HN2;5.HN2 0 0 0
199 871.608 529.646 2.000 2.000 0.808 4.824 9211.903 5585.664 1.952 3.564 20.632 37.584 870 872 528 530 1.318400e+04 0.000000e+00 6.489450e+04 0.00000 1 7.HG1*;6.HA2 0 0 0
200 871.840 626.159 2.000 2.000 0.805 3.693 9214.352 6603.489 1.997 3.274 21.110 34.531 870 872 625 627 2.209050e+04 0.000000e+00 1.079172e+05 0.00000 1 7.HG1*;6.HA3 0 0 0
201 863.637 626.326 2.000 2.000 0.902 3.691 9127.655 6605.248 3.171 4.038 33.517 42.584 862 864 625 627 1.369150e+04 0.000000e+00 7.709125e+04 0.00000 1 ;6.HA3 0 0 0
202 871.625 508.993 2.000 2.000 0.808 5.066 9212.085 5367.855 2.008 2.825 21.220 29.789 870 872 507 509 4.513362e+04 0.000000e+00 2.071924e+05 0.00000 1 7.HG1*;7.HA 0 0 0
203 862.966 508.993 2.000 2.000 0.910 5.066 9120.560 5367.855 1.541 2.983 16.289 31.457 861 863 507 509 7.837600e+04 0.000000e+00 3.359868e+05 0.00000 1 7.HG2*;7.HA 0 0 0
204 626.325 872.332 2.000 2.000 3.689 0.809 6619.539 9199.644 3.658 3.208 38.664 33.835 625 627 871 873 1.259250e+04 0.000000e+00 1.242842e+05 0.00000 1 6.HA3;7.HG1* 0 0 0
205 675.291 908.345 2.000 2.000 3.114 0.387 7137.050 9579.436 2.788 2.385 29.465 25.149 674 676 907 909 3.368938e+04 0.000000e+00 1.941334e+05 0.00000 1 1.HB3;2.HG2* 0 0 0
206 663.243 908.034 2.000 2.000 3.255 0.390 7009.719 9576.160 3.134 2.520 33.124 26.572 662 664 907 909 3.021012e+04 0.000000e+00 1.986694e+05 0.00000 1 1.HB2;2.HG2* 0 0 0
207 190.307 908.406 2.000 2.000 8.809 0.386 2011.329 9580.083 2.072 2.472 21.902 26.069 189 191 907 909 5.763250e+03 0.000000e+00 2.601612e+04 0.00000 1 1.H;2.HG2* 0 0 0
208 190.394 871.550 2.000 2.000 8.808 0.818 2012.246 9191.389 2.166 5.420 22.897 57.156 189 191 870 872 6.252625e+03 0.000000e+00 3.406262e+04 0.00000 1 1.H;3.QD1 0 0 0
209 870.997 189.581 2.000 2.000 0.815 8.809 9205.446 1999.323 1.305 5.448 13.792 57.454 869 871 188 190 4.462625e+03 0.000000e+00 2.197512e+04 0.00000 1 3.QD1;1.H 0 0 0
210 907.145 189.992 2.000 2.000 0.391 8.804 9587.487 2003.661 1.768 2.770 18.690 29.214 906 908 188 190 4.707750e+03 0.000000e+00 1.945000e+04 0.00000 1 2.HG2*;1.H 0 0 0
214 693.626 508.881 2.000 2.000 2.898 5.068 7330.837 5366.670 1.442 5.563 15.240 58.664 692 694 507 509 3.812925e+04 0.000000e+00 1.519081e+05 0.00000 1 7.HN3;7.HA 0 0 0
217 759.657 494.991 2.000 2.000 2.123 5.230 8028.710 5220.195 3.552 3.186 37.545 33.597 758 760 493 495 9.621375e+03 0.000000e+00 6.428512e+04 0.00000 1 2.HB;1.HA 0 0 0
218 764.432 495.185 2.000 2.000 2.067 5.228 8079.175 5222.240 9.551 4.055 100.942 42.763 763 765 494 496 4.308500e+03 0.000000e+00 3.583762e+04 0.00000 1 11.HB;1.HA 0 0 0
219 831.071 505.187 2.000 2.000 1.284 5.111 8783.471 5327.721 3.213 2.653 33.958 27.984 830 832 504 506 1.963325e+04 0.000000e+00 1.154536e+05 0.00000 1 8.HG12;8.HA 0 0 0
220 857.388 641.487 2.000 2.000 0.975 3.514 9061.617 6765.145 1.638 3.286 17.309 34.657 856 858 640 642 1.482312e+04 0.000000e+00 6.395288e+04 0.00000 1 10.QG1;9.HA2 0 0 0
221 862.926 640.959 2.000 2.000 0.910 3.520 9120.142 6759.573 1.709 3.682 18.063 38.827 861 863 639 641 1.493000e+04 0.000000e+00 7.187212e+04 0.00000 1 8.HG21;9.HA2 0 0 0
224 876.230 241.489 2.000 2.000 0.754 8.201 9260.746 2546.750 1.951 3.046 20.619 32.126 875 877 240 242 6.265250e+03 0.000000e+00 3.106125e+04 0.00000 1 4.HG1*;3.H 0 0 0
229 663.132 663.437 2.000 2.000 3.256 3.257 7008.545 6996.629 3.141 3.382 33.199 35.663 662 664 662 664 5.526046e+05 0.000000e+00 4.206880e+06 0.00000 1 1.HB2;1.HB2 0 0 0
239 907.609 908.460 2.000 2.000 0.385 0.385 9592.392 9580.647 2.166 2.342 22.890 24.699 906 908 907 909 3.076429e+06 0.000000e+00 1.503695e+07 0.00000 1 2.HG2*;2.HG2* 0 0 0
240 879.691 880.431 2.000 2.000 0.713 0.714 9297.328 9285.050 3.114 2.764 32.906 29.146 878 880 879 881 4.232251e+06 0.000000e+00 3.267962e+07 0.00000 1 2.HG1*;2.HG1* 0 0 0
241 876.108 876.808 2.000 2.000 0.755 0.756 9259.465 9246.847 2.027 2.544 21.426 26.832 875 877 875 877 9.452622e+06 0.000000e+00 4.354914e+07 0.00000 1 4.HG1*;4.HG1* 0 0 0
242 866.866 867.625 2.000 2.000 0.864 0.864 9161.782 9150.003 2.093 2.625 22.123 27.682 865 867 866 868 1.391231e+07 0.000000e+00 6.831339e+07 0.00000 1 3.QG2;3.QG2 0 0 0
243 863.568 864.221 2.000 2.000 0.903 0.904 9126.927 9114.103 2.387 2.660 25.233 28.057 862 864 863 865 2.450899e+07 0.000000e+00 1.373486e+08 0.00000 1 4.HG2*;4.HG2* 0 0 0
244 857.047 857.759 2.000 2.000 0.979 0.980 9058.013 9045.956 1.619 2.389 17.110 25.197 856 858 856 858 6.721887e+06 0.000000e+00 2.756824e+07 0.00000 1 10.QG1;10.QG1 0 0 0
247 831.106 831.684 2.000 2.000 1.284 1.285 8783.839 8770.960 4.467 4.406 47.215 46.470 830 832 830 832 7.018938e+06 0.000000e+00 6.733354e+07 0.00000 1 8.HG12;8.HG12 0 0 0
255 863.073 863.874 2.000 2.000 0.908 0.908 9121.699 9110.443 2.387 2.660 25.233 28.057 862 864 862 864 2.450899e+07 0.000000e+00 1.373486e+08 0.00000 1 10.QG2;10.QG2 0 0 0
256 863.219 240.544 2.000 2.000 0.907 8.212 9123.244 2536.786 1.632 4.248 17.248 44.798 862 864 239 241 1.047712e+04 0.000000e+00 6.861550e+04 0.00000 1 10.QG2;10.H 0 0 0
257 241.070 240.457 2.000 2.000 8.213 8.213 2547.839 2535.864 1.996 2.719 21.090 28.674 240 242 239 241 1.152600e+06 0.000000e+00 5.777759e+06 0.00000 1 10.H;10.H 0 0 0
258 241.775 241.132 2.000 2.000 8.204 8.205 2555.285 2542.981 2.510 2.603 26.531 27.451 240 242 240 242 9.968564e+05 0.000000e+00 5.703299e+06 0.00000 1 3.H;3.H 0 0 0
259 190.424 332.319 2.000 2.000 8.807 7.136 2012.569 3504.643 2.060 2.489 21.774 26.249 189 191 331 333 9.776875e+03 0.000000e+00 4.376225e+04 0.00000 1 1.H;1.HD1 0 0 0
260 241.686 814.898 2.000 2.000 8.205 1.482 2554.347 8593.939 1.843 3.037 19.477 32.030 240 242 813 815 3.448712e+04 0.000000e+00 1.608185e+05 0.00000 1 3.H;3.HG12 0 0 0
261 241.881 842.377 2.000 2.000 8.203 1.160 2556.402 8883.733 2.003 3.602 21.169 37.982 240 242 841 843 3.145712e+04 0.000000e+00 1.651820e+05 0.00000 1 3.H;3.HG13 0 0 0
262 814.135 241.150 2.000 2.000 1.483 8.205 8604.479 2543.172 3.773 2.528 39.878 26.661 813 815 240 242 1.844788e+04 0.000000e+00 1.156682e+05 0.00000 1 3.HG12;3.H 0 0 0
263 841.819 241.205 2.000 2.000 1.158 8.204 8897.064 2543.761 4.069 2.710 43.009 28.580 840 842 240 242 1.659300e+04 0.000000e+00 1.041956e+05 0.00000 1 3.HG13;3.H 0 0 0
264 528.944 529.088 2.000 2.000 4.832 4.831 5590.332 5579.774 52.483 14.087 554.688 148.563 527 529 528 530 1.702675e+04 0.000000e+00 1.680199e+05 0.00000 1 6.HA2;6.HA2 0 0 0
265 544.971 544.905 2.000 2.000 4.644 4.645 5759.722 5746.581 3.322 3.172 35.108 33.456 543 545 543 545 2.541366e+05 0.000000e+00 1.791445e+06 0.00000 1 9.HA3;9.HA3 0 0 0
266 545.002 545.143 2.000 2.000 4.644 4.643 5760.049 5749.094 3.253 3.795 34.382 40.025 544 546 544 546 1.903040e+05 0.000000e+00 1.484778e+06 0.00000 1 10.HA;10.HA 0 0 0
267 591.557 591.892 2.000 2.000 4.097 4.095 6252.078 6242.111 2.460 2.673 25.997 28.186 590 592 590 592 6.558390e+05 0.000000e+00 3.561447e+06 0.00000 1 2.HA;2.HA 0 0 0
268 626.036 626.213 2.000 2.000 3.692 3.693 6616.486 6604.057 2.486 2.586 26.277 27.269 625 627 625 627 5.664251e+06 0.000000e+00 3.749092e+07 0.00000 1 6.HA3;6.HA3 0 0 0
269 641.166 641.423 2.000 2.000 3.514 3.514 6776.390 6764.470 4.408 4.094 46.591 43.177 640 642 640 642 5.770192e+05 0.000000e+00 5.539436e+06 0.00000 1 9.HA2;9.HA2 0 0 0
270 639.920 640.125 2.000 2.000 3.529 3.530 6763.219 6750.773 3.551 3.806 37.532 40.143 638 640 639 641 1.115396e+06 0.000000e+00 8.573409e+06 0.00000 1 12.HA2;12.HA2 0 0 0
271 674.869 675.274 2.000 2.000 3.118 3.118 7132.592 7121.459 3.441 2.515 36.371 26.518 673 675 674 676 2.776704e+06 0.000000e+00 3.059441e+07 0.00000 1 1.HB3;1.HB3 0 0 0
272 675.828 676.143 2.000 2.000 3.107 3.108 7142.728 7130.620 1.618 2.307 17.105 24.333 674 676 675 677 1.028178e+07 0.000000e+00 4.393039e+07 0.00000 1 11.HN1;11.HN1 0 0 0
273 676.936 677.311 2.000 2.000 3.094 3.094 7154.441 7142.941 2.042 2.243 21.585 23.657 675 677 676 678 9.964119e+06 0.000000e+00 4.475455e+07 0.00000 1 4.HN2;4.HN2 0 0 0
274 680.218 680.556 2.000 2.000 3.056 3.056 7189.124 7177.168 1.939 2.305 20.495 24.314 679 681 679 681 7.333587e+06 0.000000e+00 2.946300e+07 0.00000 1 6.HN1;6.HN1 0 0 0
275 684.995 685.350 2.000 2.000 3.000 3.000 7239.611 7227.727 1.272 2.224 13.444 23.459 683 685 684 686 8.556829e+06 0.000000e+00 2.663316e+07 0.00000 1 9.HN1;9.HN1 0 0 0
276 693.541 693.906 2.000 2.000 2.899 2.899 7329.941 7317.958 1.446 2.280 15.279 24.041 692 694 692 694 1.441923e+07 0.000000e+00 5.059140e+07 0.00000 1 7.HN3;7.HN3 0 0 0
277 698.153 698.580 2.000 2.000 2.845 2.845 7378.679 7367.243 2.620 2.726 27.688 28.750 697 699 697 699 4.722510e+06 0.000000e+00 3.809034e+07 0.00000 1 12.HN2;12.HN2 0 0 0
278 699.016 699.462 2.000 2.000 2.835 2.834 7387.806 7376.553 1.511 2.317 15.971 24.437 698 700 698 700 1.046015e+07 0.000000e+00 3.924279e+07 0.00000 1 2.HN2;2.HN2 0 0 0
279 703.697 704.067 2.000 2.000 2.780 2.780 7437.275 7425.109 1.300 2.301 13.736 24.263 702 704 703 705 7.810366e+06 0.000000e+00 2.621055e+07 0.00000 1 8.HN1;8.HN1 0 0 0
281 694.049 694.369 2.000 2.000 2.893 2.894 7335.304 7322.835 1.446 2.280 15.279 24.041 693 695 693 695 1.441923e+07 0.000000e+00 5.059140e+07 0.00000 1 5.HN2;5.HN2 0 0 0
283 759.529 760.013 2.000 2.000 2.124 2.125 8027.355 8015.126 2.746 2.883 29.017 30.408 758 760 759 761 1.802598e+06 0.000000e+00 1.015554e+07 0.00000 1 2.HB;2.HB 0 0 0
284 771.443 771.998 2.000 2.000 1.984 1.984 8153.277 8141.510 1.251 2.177 13.219 22.964 770 772 770 772 2.380655e+07 0.000000e+00 6.808376e+07 0.00000 1 10.HB;10.HB 0 0 0
285 744.135 744.585 2.000 2.000 2.305 2.306 7864.654 7852.420 3.151 3.721 33.299 39.237 743 745 743 745 1.669644e+06 0.000000e+00 1.233743e+07 0.00000 1 4.HB;4.HB 0 0 0
286 879.602 908.530 2.000 2.000 0.714 0.385 9296.388 9581.387 1.852 2.612 19.572 27.542 878 880 907 909 2.523550e+05 0.000000e+00 1.111603e+06 0.00000 1 2.HG1*;2.HG2* 0 0 0
287 907.667 880.453 2.000 2.000 0.385 0.714 9593.007 9285.288 2.109 2.963 22.292 31.251 906 908 879 881 1.897836e+05 0.000000e+00 1.019557e+06 0.00000 1 2.HG2*;2.HG1* 0 0 0
288 856.936 771.987 2.000 2.000 0.980 1.985 9056.837 8141.398 1.291 2.905 13.642 30.631 855 857 770 772 1.994935e+05 0.000000e+00 7.050908e+05 0.00000 1 10.QG1;10.HB 0 0 0
289 771.608 857.513 2.000 2.000 1.982 0.982 8155.012 9043.362 2.936 2.686 31.031 28.323 770 772 856 858 1.205596e+05 0.000000e+00 7.087276e+05 0.00000 1 10.HB;10.QG1 0 0 0
291 693.448 626.216 2.000 2.000 2.900 3.693 7328.951 6604.094 2.317 3.286 24.488 34.654 692 694 625 627 1.753321e+05 0.000000e+00 1.230930e+06 0.00000 1 7.HN3;6.HA3 0 0 0
292 744.247 677.084 2.000 2.000 2.304 3.097 7865.845 7140.546 3.012 2.386 31.830 25.165 743 745 676 678 1.508435e+05 0.000000e+00 8.467579e+05 0.00000 1 4.HB;4.HN2 0 0 0
293 742.864 693.852 2.000 2.000 2.320 2.900 7851.222 7317.382 2.969 2.413 31.374 25.443 741 743 692 694 1.506794e+05 0.000000e+00 8.105901e+05 0.00000 1 7.HB;7.HN3 0 0 0
294 771.478 675.881 2.000 2.000 1.984 3.111 8153.640 7127.858 3.229 2.658 34.124 28.028 770 772 674 676 3.269200e+04 0.000000e+00 1.900154e+05 0.00000 1 10.HB;11.HN1 0 0 0
295 694.076 751.422 2.000 2.000 2.893 2.226 7335.590 7924.519 1.292 3.428 13.654 36.155 693 695 750 752 2.536464e+05 0.000000e+00 9.650176e+05 0.00000 1 5.HN2;5.HB 0 0 0
296 751.193 694.247 2.000 2.000 2.222 2.895 7939.256 7321.554 3.133 2.658 33.115 28.028 750 752 693 695 1.046610e+05 0.000000e+00 6.448961e+05 0.00000 1 5.HB;5.HN2 0 0 0
297 764.008 676.337 2.000 2.000 2.072 3.105 8074.687 7132.673 3.082 2.695 32.578 28.418 763 765 675 677 1.489975e+05 0.000000e+00 9.376466e+05 0.00000 1 11.HB;11.HN1 0 0 0
298 675.867 764.576 2.000 2.000 3.107 2.071 7143.142 8063.247 1.385 3.505 14.635 36.961 674 676 763 765 2.546384e+05 0.000000e+00 1.076896e+06 0.00000 1 11.HN1;11.HB 0 0 0
299 693.467 529.296 2.000 2.000 2.900 4.828 7329.155 5581.976 2.363 3.937 24.976 41.517 692 694 528 530 1.474365e+05 0.000000e+00 1.163758e+06 0.00000 1 7.HN3;6.HA2 0 0 0
301 676.643 814.754 2.000 2.000 3.098 1.483 7151.345 8592.417 1.907 3.292 20.157 34.721 675 677 813 815 2.418650e+04 0.000000e+00 1.123854e+05 0.00000 1 4.HN2;3.HG12 0 0 0
302 814.141 676.902 2.000 2.000 1.483 3.099 8604.543 7138.626 3.716 2.674 39.269 28.195 813 815 675 677 1.073825e+04 0.000000e+00 6.999200e+04 0.00000 1 3.HG12;4.HN2 0 0 0
303 190.309 189.538 2.000 2.000 8.809 8.810 2011.351 1998.870 2.077 2.425 21.956 25.577 189 191 188 190 6.713066e+05 0.000000e+00 3.077018e+06 0.00000 1 1.H;1.H 0 0 0
304 764.394 764.979 2.000 2.000 2.067 2.067 8078.768 8067.488 3.791 3.397 40.071 35.823 763 765 763 765 1.505119e+06 0.000000e+00 1.121896e+07 0.00000 1 3.HB;3.HB 0 0 0
305 544.398 544.437 2.000 2.000 4.651 4.651 5753.670 5741.652 3.190 3.259 33.710 34.365 543 545 543 545 2.244024e+05 0.000000e+00 1.362091e+06 0.00000 1 3.HA;3.HA 0 0 0
306 763.582 764.077 2.000 2.000 2.077 2.077 8070.189 8057.978 3.177 3.451 33.575 36.397 762 764 763 765 1.472867e+06 0.000000e+00 1.012674e+07 0.00000 1 11.HB;11.HB 0 0 0
308 862.249 862.991 2.000 2.000 0.918 0.918 9112.988 9101.130 3.329 2.793 35.187 29.450 861 863 861 863 1.287603e+07 0.000000e+00 9.388588e+07 0.00000 1 8.HG21;8.HG21 0 0 0
309 561.409 561.523 2.000 2.000 4.451 4.451 5933.455 5921.841 3.960 3.797 41.848 40.045 560 562 560 562 1.163162e+05 0.000000e+00 8.376470e+05 0.00000 1 12.HA3;12.HA3 0 0 0
310 240.925 685.186 2.000 2.000 8.214 3.002 2546.303 7225.998 1.653 3.108 17.469 32.777 239 241 684 686 1.798000e+04 0.000000e+00 7.927238e+04 0.00000 1 10.H;9.HN1 0 0 0
311 863.210 287.385 2.000 2.000 0.907 7.663 9123.147 3030.772 1.911 2.455 20.201 25.894 862 864 286 288 2.224900e+04 0.000000e+00 9.489138e+04 0.00000 1 10.QG2;1.HE3 0 0 0
312 879.591 287.385 2.000 2.000 0.714 7.663 9296.273 3030.772 1.831 2.458 19.350 25.927 878 880 286 288 1.019575e+04 0.000000e+00 4.280012e+04 0.00000 1 2.HG1*;1.HE3 0 0 0
313 288.156 863.965 2.000 2.000 7.660 0.907 3045.483 9111.401 1.561 2.382 16.498 25.118 287 289 862 864 3.077600e+04 0.000000e+00 1.181085e+05 0.00000 1 1.HE3;10.QG2 0 0 0
315 60.872 59.942 2.000 2.000 10.329 10.328 643.345 632.154 1.204 2.165 12.726 22.828 59 61 58 60 1.685970e+06 0.000000e+00 4.744835e+06 0.00000 1 1.HE1;1.HE1 0 0 0
316 332.275 59.891 2.000 2.000 7.142 10.329 3511.768 631.608 1.850 2.197 19.552 23.174 331 333 58 60 1.521780e+05 0.000000e+00 5.648116e+05 0.00000 1 1.HD1;1.HE1 0 0 0
317 314.301 60.061 2.000 2.000 7.353 10.327 3321.806 633.408 2.006 2.248 21.203 23.704 313 315 59 61 5.359812e+04 0.000000e+00 2.277245e+05 0.00000 1 1.HZ2;1.HE1 0 0 0
318 698.133 59.957 2.000 2.000 2.845 10.328 7378.473 632.310 1.785 2.530 18.863 26.678 697 699 58 60 7.851125e+03 0.000000e+00 3.147975e+04 0.00000 1 12.HN2;1.HE1 0 0 0
319 675.686 59.957 2.000 2.000 3.109 10.328 7141.228 632.310 2.586 2.672 27.328 28.175 674 676 58 60 3.162000e+03 0.000000e+00 1.681650e+04 0.00000 1 11.HN1;1.HE1 0 0 0
320 61.026 331.928 2.000 2.000 10.327 7.141 644.977 3500.523 1.203 2.138 12.717 22.545 60 62 330 332 1.641188e+05 0.000000e+00 4.599968e+05 0.00000 1 1.HE1;1.HD1 0 0 0
321 60.801 313.908 2.000 2.000 10.330 7.352 642.594 3310.480 1.175 2.163 12.414 22.813 59 61 312 314 6.035850e+04 0.000000e+00 1.693156e+05 0.00000 1 1.HE1;1.HZ2 0 0 0
322 61.026 698.883 2.000 2.000 10.327 2.841 644.977 7370.440 1.256 2.732 13.277 28.815 60 62 697 699 7.293375e+03 0.000000e+00 2.458038e+04 0.00000 1 1.HE1;2.HN2 0 0 0
323 60.843 675.655 2.000 2.000 10.329 3.113 643.039 7125.474 1.181 2.886 12.482 30.438 59 61 674 676 5.087500e+03 0.000000e+00 1.626175e+04 0.00000 1 1.HE1;1.HB3 0 0 0
324 340.082 339.675 2.000 2.000 7.050 7.050 3594.280 3582.220 2.042 2.701 21.577 28.482 339 341 338 340 1.268842e+06 0.000000e+00 6.530148e+06 0.00000 1 1.HZ3;1.HZ3 0 0 0
325 334.336 333.846 2.000 2.000 7.117 7.119 3533.550 3520.750 2.220 2.416 23.468 25.475 333 335 332 334 1.443724e+06 0.000000e+00 7.750930e+06 0.00000 1 1.HH2;1.HH2 0 0 0
326 287.960 339.386 2.000 2.000 7.662 7.054 3043.411 3579.170 1.589 2.520 16.793 26.579 286 288 338 340 1.383890e+05 0.000000e+00 5.516346e+05 0.00000 1 1.HE3;1.HZ3 0 0 0
327 340.051 287.605 2.000 2.000 7.050 7.660 3593.951 3033.086 1.947 2.455 20.577 25.894 339 341 286 288 1.489109e+05 0.000000e+00 6.840786e+05 0.00000 1 1.HZ3;1.HE3 0 0 0
328 314.521 333.752 2.000 2.000 7.350 7.120 3324.127 3519.760 1.814 2.418 19.170 25.495 313 315 332 334 2.033494e+05 0.000000e+00 7.978558e+05 0.00000 1 1.HZ2;1.HH2 0 0 0
329 334.159 313.988 2.000 2.000 7.119 7.351 3531.676 3311.331 1.599 2.324 16.897 24.510 333 335 312 314 2.159048e+05 0.000000e+00 8.155135e+05 0.00000 1 1.HH2;1.HZ2 0 0 0
330 334.477 339.432 2.000 2.000 7.116 7.053 3535.036 3579.666 2.060 2.348 21.769 24.760 333 335 338 340 2.745478e+05 0.000000e+00 1.220573e+06 0.00000 1 1.HH2;1.HZ3 0 0 0
331 339.817 334.128 2.000 2.000 7.053 7.115 3591.476 3523.720 1.483 2.204 15.675 23.242 338 340 333 335 3.734222e+05 0.000000e+00 1.334574e+06 0.00000 1 1.HZ3;1.HH2 0 0 0
332 863.180 339.336 2.000 2.000 0.907 7.054 9122.830 3578.653 2.290 3.342 24.202 35.240 862 864 338 340 1.013050e+04 0.000000e+00 5.842462e+04 0.00000 1 10.QG2;1.HZ3 0 0 0
333 907.573 332.113 2.000 2.000 0.386 7.139 9592.011 3502.470 2.190 2.661 23.142 28.067 906 908 331 333 1.252300e+04 0.000000e+00 6.365588e+04 0.00000 1 2.HG2*;1.HD1 0 0 0
335 680.415 500.648 2.000 2.000 3.053 5.164 7191.213 5279.854 1.870 2.747 19.762 28.974 679 681 499 501 4.387484e+05 0.000000e+00 1.861823e+06 0.00000 1 6.HN1;5.HA 0 0 0
336 750.945 500.318 2.000 2.000 2.225 5.168 7936.628 5276.367 2.973 2.823 31.420 29.769 749 751 499 501 3.606625e+04 0.000000e+00 2.074290e+05 0.00000 1 5.HB;5.HA 0 0 0
337 750.923 751.349 2.000 2.000 2.225 2.226 7936.398 7923.755 2.698 2.899 28.517 30.571 749 751 750 752 1.318120e+06 0.000000e+00 7.713692e+06 0.00000 1 5.HB;5.HB 0 0 0
338 684.982 505.325 2.000 2.000 3.000 5.109 7239.476 5329.169 1.274 2.547 13.462 26.861 683 685 504 506 3.696760e+05 0.000000e+00 1.260394e+06 0.00000 1 9.HN1;8.HA 0 0 0
339 704.048 509.027 2.000 2.000 2.776 5.066 7440.985 5368.214 1.186 2.461 12.532 25.953 703 705 508 510 2.605138e+05 0.000000e+00 7.748102e+05 0.00000 1 8.HN1;8.HA 0 0 0
340 641.091 857.294 2.000 2.000 3.515 0.985 6775.597 9041.050 3.588 3.212 37.922 33.871 640 642 856 858 7.712250e+03 0.000000e+00 7.639412e+04 0.00000 1 9.HA2;10.QG1 0 0 0
342 698.399 676.548 2.000 2.000 2.842 3.103 7381.285 7134.895 2.543 3.518 26.881 37.105 697 699 675 677 4.719188e+04 0.000000e+00 3.034002e+05 0.00000 1 12.HN2;11.HN1 0 0 0
343 339.914 864.135 2.000 2.000 7.052 0.905 3592.506 9113.200 1.730 2.630 18.284 27.732 338 340 863 865 2.305600e+04 0.000000e+00 1.000998e+05 0.00000 1 1.HZ3;4.HG2* 0 0 0
345 314.231 863.940 2.000 2.000 7.353 0.907 3321.059 9111.137 1.951 2.749 20.622 28.991 313 315 862 864 7.983500e+03 0.000000e+00 3.669825e+04 0.00000 1 1.HZ2;10.QG2 0 0 0
347 314.611 339.435 2.000 2.000 7.349 7.053 3325.078 3579.687 1.708 2.901 18.055 30.593 313 315 338 340 2.736312e+04 0.000000e+00 1.097722e+05 0.00000 1 1.HZ2;1.HZ3 0 0 0
349 340.037 313.898 2.000 2.000 7.050 7.352 3593.804 3310.378 1.496 2.766 15.813 29.170 339 341 312 314 2.797588e+04 0.000000e+00 1.127270e+05 0.00000 1 1.HZ3;1.HZ2 0 0 0
350 334.435 287.463 2.000 2.000 7.116 7.662 3534.600 3031.591 2.158 2.702 22.804 28.495 333 335 286 288 2.395225e+04 0.000000e+00 1.279690e+05 0.00000 1 1.HH2;1.HE3 0 0 0
351 287.934 333.769 2.000 2.000 7.662 7.119 3043.134 3519.941 1.566 4.340 16.548 45.765 286 288 332 334 1.637012e+04 0.000000e+00 8.517062e+04 0.00000 1 1.HE3;1.HH2 0 0 0
352 314.505 908.239 2.000 2.000 7.350 0.388 3323.957 9578.318 1.960 3.144 20.714 33.162 313 315 907 909 6.172875e+03 0.000000e+00 3.073212e+04 0.00000 1 1.HZ2;2.HG2* 0 0 0
353 863.159 333.044 2.000 2.000 0.907 7.128 9122.600 3512.288 1.950 3.870 20.611 40.815 862 864 332 334 7.442625e+03 0.000000e+00 3.723800e+04 0.00000 1 10.QG2;1.HH2 0 0 0
354 190.507 241.313 2.000 2.000 8.806 8.203 2013.447 2544.895 2.506 2.878 26.484 30.348 189 191 240 242 4.440000e+03 0.000000e+00 2.806150e+04 0.00000 1 1.H;3.H 0 0 0
355 241.668 189.733 2.000 2.000 8.206 8.807 2554.158 2000.926 1.698 3.480 17.943 36.703 240 242 188 190 5.997250e+03 0.000000e+00 2.789050e+04 0.00000 1 3.H;1.H 0 0 0
356 697.868 500.441 2.000 2.000 2.848 5.166 7375.673 5277.663 1.512 2.565 15.985 27.049 696 698 499 501 2.915856e+05 0.000000e+00 1.169301e+06 0.00000 1 12.HN2;11.HA 0 0 0
357 703.969 529.800 2.000 2.000 2.777 4.822 7440.144 5587.283 1.180 3.298 12.476 34.786 702 704 528 530 2.652175e+04 0.000000e+00 9.003450e+04 0.00000 1 8.HN1;6.HA2 0 0 0
359 814.389 543.910 2.000 2.000 1.480 4.657 8607.163 5736.096 3.605 2.748 38.105 28.982 813 815 542 544 1.985475e+04 0.000000e+00 1.250910e+05 0.00000 1 3.HG12;3.HA 0 0 0
360 875.748 751.409 2.000 2.000 0.760 2.226 9255.654 7924.386 1.882 3.753 19.886 39.580 874 876 750 752 1.797114e+05 0.000000e+00 9.423401e+05 0.00000 1 4.HG1*;5.HB 0 0 0
363 759.373 505.297 2.000 2.000 2.126 5.110 8025.703 5328.879 2.835 2.816 29.966 29.694 758 760 504 506 2.606512e+04 0.000000e+00 1.499605e+05 0.00000 1 8.HB;8.HA 0 0 0
364 759.332 704.225 2.000 2.000 2.127 2.779 8025.274 7426.780 3.148 2.703 33.274 28.509 758 760 703 705 1.071429e+05 0.000000e+00 6.318794e+05 0.00000 1 8.HB;8.HN1 0 0 0
365 759.210 759.769 2.000 2.000 2.128 2.128 8023.985 8012.549 3.297 3.119 34.842 32.889 758 760 758 760 1.444108e+06 0.000000e+00 9.809398e+06 0.00000 1 8.HB;8.HB 0 0 0
366 703.896 759.769 2.000 2.000 2.778 2.128 7439.372 8012.549 1.238 2.933 13.087 30.932 702 704 758 760 2.604752e+05 0.000000e+00 8.982602e+05 0.00000 1 8.HN1;8.HB 0 0 0
367 693.572 743.151 2.000 2.000 2.899 2.322 7330.267 7837.294 1.912 3.165 20.211 33.378 692 694 742 744 2.803999e+05 0.000000e+00 1.248876e+06 0.00000 1 7.HN3;7.HB 0 0 0
368 742.346 742.737 2.000 2.000 2.326 2.327 7845.747 7832.929 3.680 3.251 38.898 34.284 741 743 741 743 1.509129e+06 0.000000e+00 1.209389e+07 0.00000 1 7.HB;7.HB 0 0 0
369 625.926 742.961 2.000 2.000 3.693 2.325 6615.323 7835.291 3.077 3.011 32.523 31.754 624 626 741 743 5.862625e+03 0.000000e+00 4.833050e+04 0.00000 1 6.HA3;7.HB 0 0 0
371 866.702 505.215 2.000 2.000 0.866 5.111 9160.054 5328.014 1.843 2.626 19.475 27.696 865 867 504 506 1.400522e+05 0.000000e+00 5.931306e+05 0.00000 1 8.HD12;8.HA 0 0 0
372 862.061 505.101 2.000 2.000 0.920 5.112 9111.002 5326.808 2.349 3.516 24.824 37.076 861 863 504 506 7.373712e+04 0.000000e+00 3.759528e+05 0.00000 1 8.HG21;8.HA 0 0 0
373 854.317 505.099 2.000 2.000 1.011 5.112 9029.153 5326.794 3.813 2.808 40.294 29.611 853 855 504 506 2.770600e+04 0.000000e+00 1.716531e+05 0.00000 1 8.HG13;8.HA 0 0 0
374 854.260 855.030 2.000 2.000 1.012 1.011 9028.552 9017.177 3.062 2.909 32.359 30.682 853 855 854 856 1.473047e+06 0.000000e+00 9.904261e+06 0.00000 1 8.HG13;8.HG13 0 0 0
375 854.360 831.663 2.000 2.000 1.011 1.285 9029.612 8770.742 3.600 3.236 38.048 34.130 853 855 830 832 2.216780e+05 0.000000e+00 1.429355e+06 0.00000 1 8.HG13;8.HG12 0 0 0
376 830.976 855.097 2.000 2.000 1.285 1.011 8782.471 9017.883 3.276 3.153 34.628 33.253 829 831 854 856 2.453906e+05 0.000000e+00 1.579711e+06 0.00000 1 8.HG12;8.HG13 0 0 0
377 704.019 855.003 2.000 2.000 2.776 1.012 7440.672 9016.889 1.309 3.463 13.834 36.518 703 705 854 856 8.441488e+04 0.000000e+00 3.234732e+05 0.00000 1 8.HN1;8.HG13 0 0 0
378 693.592 855.088 2.000 2.000 2.899 1.011 7330.470 9017.789 1.931 3.516 20.413 37.075 692 694 854 856 9.383938e+04 0.000000e+00 4.422754e+05 0.00000 1 7.HN3;8.HG13 0 0 0
380 759.488 831.452 2.000 2.000 2.125 1.288 8026.921 8768.520 2.985 3.413 31.550 35.997 758 760 830 832 7.697988e+04 0.000000e+00 4.837092e+05 0.00000 1 8.HB;8.HG12 0 0 0
381 831.128 759.725 2.000 2.000 1.283 2.128 8784.076 8012.082 3.456 3.059 36.531 32.263 830 832 758 760 7.031900e+04 0.000000e+00 4.509188e+05 0.00000 1 8.HG12;8.HB 0 0 0
382 764.436 842.320 2.000 2.000 2.067 1.160 8079.213 8883.132 3.151 5.391 33.307 56.856 763 765 841 843 6.760900e+04 0.000000e+00 4.811562e+05 0.00000 1 3.HB;3.HG13 0 0 0
383 814.455 842.456 2.000 2.000 1.479 1.159 8607.860 8884.564 3.521 3.095 37.213 32.643 813 815 841 843 1.757492e+05 0.000000e+00 1.159202e+06 0.00000 1 3.HG12;3.HG13 0 0 0
384 841.933 815.071 2.000 2.000 1.157 1.480 8898.272 8595.765 3.446 3.030 36.420 31.955 840 842 814 816 1.916070e+05 0.000000e+00 1.239714e+06 0.00000 1 3.HG13;3.HG12 0 0 0
385 814.387 815.015 2.000 2.000 1.480 1.480 8607.144 8595.169 3.494 3.290 36.925 34.696 813 815 814 816 9.673511e+05 0.000000e+00 6.659168e+06 0.00000 1 3.HG12;3.HG12 0 0 0
386 841.701 842.252 2.000 2.000 1.159 1.161 8895.822 8882.415 2.649 2.839 27.995 29.936 840 842 841 843 1.687223e+06 0.000000e+00 1.067242e+07 0.00000 1 3.HG13;3.HG13 0 0 0
387 863.254 772.223 2.000 2.000 0.906 1.982 9123.613 8143.886 1.708 2.990 18.051 31.528 862 864 771 773 1.798132e+05 0.000000e+00 7.508844e+05 0.00000 1 10.QG2;10.HB 0 0 0
388 771.485 863.987 2.000 2.000 1.984 0.907 8153.711 9111.639 3.446 2.834 36.424 29.886 770 772 862 864 1.177350e+05 0.000000e+00 7.566946e+05 0.00000 1 10.HB;10.QG2 0 0 0
389 839.843 840.544 2.000 2.000 1.181 1.181 8876.177 8864.404 3.409 3.070 36.025 32.378 838 840 839 841 1.183616e+06 0.000000e+00 8.807075e+06 0.00000 1 11.HG13;11.HG13 0 0 0
390 830.754 693.961 2.000 2.000 1.288 2.899 8780.123 7318.531 3.171 2.452 33.510 25.854 829 831 692 694 6.215500e+04 0.000000e+00 3.534694e+05 0.00000 1 8.HG12;7.HN3 0 0 0
391 830.945 704.204 2.000 2.000 1.286 2.779 8782.136 7426.562 3.191 2.631 33.727 27.744 829 831 703 705 5.426888e+04 0.000000e+00 3.364174e+05 0.00000 1 8.HG12;8.HN1 0 0 0
392 854.245 693.643 2.000 2.000 1.012 2.903 9028.393 7315.176 3.584 2.747 37.879 28.971 853 855 692 694 4.243138e+04 0.000000e+00 2.675838e+05 0.00000 1 8.HG13;7.HN3 0 0 0
393 854.118 704.204 2.000 2.000 1.014 2.779 9027.051 7426.562 3.765 2.922 39.791 30.814 853 855 703 705 3.025112e+04 0.000000e+00 1.933136e+05 0.00000 1 8.HG13;8.HN1 0 0 0
394 863.621 499.982 2.000 2.000 0.902 5.172 9127.488 5272.822 1.919 3.206 20.283 33.812 862 864 498 500 3.125988e+05 0.000000e+00 1.482099e+06 0.00000 1 ; 0 0 0
395 814.382 765.063 2.000 2.000 1.480 2.066 8607.088 8068.382 3.598 2.964 38.024 31.255 813 815 764 766 5.312262e+04 0.000000e+00 3.361068e+05 0.00000 1 3.HG12;3.HB 0 0 0
396 764.490 815.315 2.000 2.000 2.066 1.477 8079.790 8598.340 2.951 3.189 31.190 33.631 763 765 814 816 6.194175e+04 0.000000e+00 3.823880e+05 0.00000 1 3.HB;3.HG12 0 0 0
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . 'not observed' 12 ppm . . . 5.019 . . 34850 1
2 . . H 1 H . 'not observed' 12 ppm . . . 5.019 . . 34850 1
stop_
save_