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 34848
_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 10.712ppm -1.300ppm
DATA Y_AXIS 1H 1 1024 10.699ppm -1.287ppm
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
1 466.947 717.614 2.000 2.000 5.241 2.303 4935.095 7567.983 1.832 4.037 19.364 42.578 465 467 716 718 4.656000e+03 0.000000e+00 2.911200e+04 0.00000 1 8.HA;8.HB 0 0 0
2 372.882 468.096 2.000 2.000 6.345 5.226 3940.937 4936.550 1.524 2.724 16.105 28.730 371 373 467 469 1.112000e+04 0.000000e+00 5.053600e+04 0.00000 1 1.H;1.HA 0 0 0
3 582.861 634.395 2.000 2.000 3.880 3.278 6160.178 6690.352 3.616 3.021 38.212 31.860 581 583 633 635 9.016000e+03 0.000000e+00 8.126400e+04 0.00000 1 12.HA3;12.HN1 0 0 0
4 499.992 306.640 2.000 2.000 4.853 7.118 5284.347 3233.837 1.491 3.313 15.756 34.938 498 500 305 307 5.816000e+03 0.000000e+00 3.321600e+04 0.00000 1 10.HA;10.H 0 0 0
5 372.785 640.087 2.000 2.000 6.347 3.211 3939.915 6750.374 2.195 3.229 23.202 34.049 371 373 639 641 8.296000e+03 0.000000e+00 6.050400e+04 0.00000 1 1.H;1.HB3 0 0 0
6 262.713 303.311 2.000 2.000 7.639 7.157 2776.573 3198.731 1.434 2.951 15.152 31.124 261 263 302 304 1.756800e+04 0.000000e+00 1.133120e+05 0.00000 1 1.HE3;1.HZ3 0 0 0
7 717.172 798.956 2.000 2.000 2.303 1.350 7579.690 8425.811 3.870 2.427 40.898 25.590 716 718 797 799 2.024800e+04 0.000000e+00 1.933920e+05 0.00000 1 8.HB;8.HG13 0 0 0
8 468.108 640.063 2.000 2.000 5.227 3.212 4947.366 6750.120 2.043 3.090 21.589 32.591 467 469 639 641 1.317600e+04 0.000000e+00 9.513600e+04 0.00000 1 1.HA;1.HB3 0 0 0
9 717.302 666.645 2.000 2.000 2.301 2.900 7581.064 7030.455 2.696 2.911 28.497 30.704 716 718 665 667 1.740800e+04 0.000000e+00 6.307200e+04 0.00000 1 8.HB;8.HN3 0 0 0
10 717.172 798.956 2.000 2.000 2.303 1.350 7579.690 8425.811 3.870 2.427 40.898 25.590 716 718 797 799 2.024800e+04 0.000000e+00 1.933920e+05 0.00000 1 8.HB;8.HG12 0 0 0
11 477.573 709.007 2.000 2.000 5.116 2.404 5047.402 7477.205 2.235 4.184 23.619 44.126 476 478 708 710 1.573600e+04 0.000000e+00 1.458080e+05 0.00000 1 5.HA;5.HB 0 0 0
12 634.133 583.013 2.000 2.000 3.278 3.880 6702.059 6148.471 1.534 3.975 16.218 41.918 633 635 582 584 1.646400e+04 0.000000e+00 9.347200e+04 0.00000 1 12.HN1;12.HA3 0 0 0
13 730.543 460.958 2.000 2.000 2.146 5.310 7721.011 4861.279 3.698 3.854 39.088 40.642 729 731 459 461 6.144000e+03 0.000000e+00 2.585600e+04 0.00000 1 11.HB;11.HA 0 0 0
15 468.057 372.496 2.000 2.000 5.228 6.346 4946.828 3928.356 1.727 2.863 18.247 30.195 467 469 371 373 7.832000e+03 0.000000e+00 3.514400e+04 0.00000 1 1.HA;1.H 0 0 0
16 303.764 262.171 2.000 2.000 7.157 7.639 3210.438 2764.867 2.052 2.984 21.683 31.466 302 304 261 263 1.654400e+04 0.000000e+00 6.492800e+04 0.00000 1 1.HZ3;1.HE3 0 0 0
17 638.458 303.888 2.000 2.000 3.227 7.150 6747.767 3204.811 8.362 2.569 88.374 27.096 637 639 302 304 2.776000e+03 0.000000e+00 4.006400e+04 0.00000 1 1.HB3;1.HD1 0 0 0
18 726.030 306.640 2.000 2.000 2.199 7.118 7673.304 3233.837 1.642 5.057 17.352 53.334 725 727 305 307 4.896000e+03 0.000000e+00 2.866400e+04 0.00000 1 10.HB;10.H 0 0 0
19 290.818 504.830 2.000 2.000 7.309 4.796 3073.618 5323.948 1.961 3.091 20.730 32.595 289 291 503 505 7.432000e+03 0.000000e+00 4.116800e+04 0.00000 1 3.H;3.HA 0 0 0
20 639.583 468.042 2.000 2.000 3.214 5.227 6759.667 4935.991 3.055 3.430 32.289 36.171 638 640 467 469 7.696000e+03 0.000000e+00 4.988000e+04 0.00000 1 1.HB3;1.HA 0 0 0
21 307.072 500.051 2.000 2.000 7.118 4.852 3245.402 5273.556 2.877 3.082 30.404 32.507 306 308 499 501 4.344000e+03 0.000000e+00 3.153600e+04 0.00000 1 10.H;10.HA 0 0 0
22 480.186 715.102 2.000 2.000 5.086 2.332 5075.013 7541.491 2.485 2.925 26.268 30.844 479 481 714 716 3.816000e+03 0.000000e+00 1.534400e+04 0.00000 1 4.HA;4.HB 0 0 0
23 304.103 630.859 2.000 2.000 7.153 3.319 3214.018 6653.063 3.355 2.624 35.456 27.669 303 305 629 631 1.952000e+03 0.000000e+00 3.994400e+04 0.00000 1 1.HD1;1.HB2 0 0 0
24 468.128 630.945 2.000 2.000 5.227 3.318 4947.577 6653.964 2.084 3.251 22.025 34.289 467 469 629 631 1.219200e+04 0.000000e+00 8.896000e+04 0.00000 1 1.HA;1.HB2 0 0 0
25 759.416 504.830 2.000 2.000 1.807 4.796 8026.156 5323.948 3.159 2.557 33.384 26.966 758 760 503 505 1.052800e+04 0.000000e+00 3.788800e+04 0.00000 1 3.HB;3.HA 0 0 0
26 675.363 707.781 2.000 2.000 2.794 2.418 7137.811 7464.281 5.068 4.708 53.563 49.646 674 676 706 708 7.488000e+03 0.000000e+00 5.810400e+04 0.00000 1 5.HN1;5.HB 0 0 0
27 828.061 759.949 2.000 2.000 1.001 1.807 8751.664 8014.450 4.456 3.711 47.097 39.140 827 829 758 760 9.088000e+03 0.000000e+00 2.035200e+04 0.00000 1 3.HG12;3.HB 0 0 0
29 466.947 798.956 2.000 2.000 5.241 1.350 4935.095 8425.811 2.497 1.970 26.387 20.780 465 467 797 799 8.040000e+03 0.000000e+00 4.039200e+04 0.00000 1 8.HA;8.HG12 0 0 0
30 556.885 671.268 2.000 2.000 4.185 2.846 5885.637 7079.210 1.308 2.933 13.825 30.930 555 557 670 672 1.160000e+03 0.000000e+00 1.696000e+03 0.00000 1 2.HA;2.HN1 0 0 0
31 649.991 489.729 2.000 2.000 3.092 4.973 6869.662 5164.697 1.668 3.896 17.625 41.091 648 650 488 490 9.952000e+03 0.000000e+00 5.733600e+04 0.00000 1 9.HN3;9.HA2 0 0 0
32 634.133 560.736 2.000 2.000 3.278 4.141 6702.059 5913.536 1.568 3.214 16.575 33.897 633 635 559 561 1.396000e+04 0.000000e+00 7.604800e+04 0.00000 1 12.HN1;12.HA2 0 0 0
33 504.847 759.949 2.000 2.000 4.796 1.807 5335.655 8014.450 1.699 3.315 17.953 34.959 503 505 758 760 1.206400e+04 0.000000e+00 7.375200e+04 0.00000 1 3.HA;3.HB 0 0 0
34 304.255 639.811 2.000 2.000 7.151 3.215 3215.628 6747.472 2.158 7.236 22.812 76.308 303 305 638 640 6.304000e+03 0.000000e+00 3.209600e+04 0.00000 1 1.HD1;1.HB3 0 0 0
35 653.977 824.049 2.000 2.000 3.045 1.056 6911.790 8690.450 1.740 2.537 18.392 26.755 652 654 823 825 9.200000e+03 0.000000e+00 2.660000e+04 0.00000 1 11.HN1;11.HG12 0 0 0
36 708.795 477.581 2.000 2.000 2.401 5.115 7491.157 5036.585 4.570 3.826 48.305 40.352 707 709 476 478 8.120000e+03 0.000000e+00 1.539920e+05 0.00000 1 5.HB;5.HA 0 0 0
37 489.564 650.065 2.000 2.000 4.975 3.094 5174.133 6855.606 3.258 2.549 34.429 26.881 488 490 649 651 4.440000e+03 0.000000e+00 1.612000e+04 0.00000 1 9.HA2;9.HN3 0 0 0
38 639.590 372.358 2.000 2.000 3.214 6.348 6759.733 3926.897 2.842 2.632 30.040 27.757 638 640 371 373 7.304000e+03 0.000000e+00 3.058400e+04 0.00000 1 1.HB3;1.H 0 0 0
39 730.088 829.241 2.000 2.000 2.151 0.995 7716.201 8745.203 4.048 8.710 42.785 91.853 729 731 828 830 1.256000e+04 0.000000e+00 2.784800e+04 0.00000 1 11.HB;11.HD12 0 0 0
40 630.920 372.429 2.000 2.000 3.316 6.347 6668.101 3927.646 2.778 3.357 29.362 35.404 629 631 371 373 4.736000e+03 0.000000e+00 3.672000e+04 0.00000 1 1.HB2;1.H 0 0 0
41 480.098 657.178 2.000 2.000 5.087 3.011 5074.088 6930.625 1.901 2.698 20.086 28.449 479 481 656 658 4.476800e+04 0.000000e+00 2.135040e+05 0.00000 1 4.HA;4.HN2 0 0 0
42 262.713 639.858 2.000 2.000 7.639 3.214 2776.573 6747.961 1.970 2.953 20.826 31.138 261 263 638 640 4.064000e+03 0.000000e+00 2.258400e+04 0.00000 1 1.HE3;1.HB3 0 0 0
43 262.757 468.352 2.000 2.000 7.638 5.223 2777.037 4939.251 1.457 2.969 15.397 31.316 261 263 467 469 4.488000e+03 0.000000e+00 1.747200e+04 0.00000 1 1.HE3;1.HA 0 0 0
44 653.977 460.958 2.000 2.000 3.045 5.310 6911.790 4861.279 1.334 3.398 14.099 35.840 652 654 459 461 6.824000e+03 0.000000e+00 2.834400e+04 0.00000 1 11.HN1;11.HA 0 0 0
45 666.046 717.687 2.000 2.000 2.903 2.302 7039.346 7568.745 1.305 3.098 13.789 32.667 665 667 716 718 3.179200e+04 0.000000e+00 8.996000e+04 0.00000 1 8.HN3;8.HB 0 0 0
46 262.713 630.725 2.000 2.000 7.639 3.321 2776.573 6651.646 1.270 3.156 13.424 33.283 261 263 629 631 3.744000e+03 0.000000e+00 1.488000e+04 0.00000 1 1.HE3;1.HB2 0 0 0
47 556.770 728.266 2.000 2.000 4.186 2.178 5884.418 7680.312 1.907 3.470 20.154 36.597 555 557 727 729 6.656000e+03 0.000000e+00 3.444800e+04 0.00000 1 2.HA;2.HB 0 0 0
48 468.091 262.103 2.000 2.000 5.228 7.640 4947.185 2764.149 1.695 2.741 17.911 28.911 467 469 261 263 3.624000e+03 0.000000e+00 1.376000e+04 0.00000 1 1.HA;1.HE3 0 0 0
50 666.412 837.535 2.000 2.000 2.899 0.898 7043.210 8832.672 3.750 8.124 39.630 85.679 665 667 836 838 4.336000e+03 0.000000e+00 2.232000e+03 0.00000 1 8.HN3;8.HD13 0 0 0
51 650.059 642.504 2.000 2.000 3.091 3.183 6870.384 6775.865 2.404 12.182 25.402 128.475 649 651 641 643 1.824000e+05 0.000000e+00 1.256344e+06 0.00000 1 9.HN3;9.HA3 0 0 0
52 727.563 556.980 2.000 2.000 2.181 4.185 7689.506 5873.930 2.694 2.489 28.472 26.245 726 728 555 557 6.312000e+03 0.000000e+00 3.811200e+04 0.00000 1 2.HB;2.HA 0 0 0
53 653.977 731.015 2.000 2.000 3.045 2.146 6911.790 7709.304 1.400 3.985 14.796 42.025 652 654 730 732 3.025600e+04 0.000000e+00 9.044800e+04 0.00000 1 11.HN1;11.HB 0 0 0
54 675.297 477.313 2.000 2.000 2.795 5.118 7137.120 5033.759 1.847 2.556 19.524 26.956 674 676 476 478 6.166400e+04 0.000000e+00 2.774880e+05 0.00000 1 5.HN1;5.HA 0 0 0
55 290.818 759.949 2.000 2.000 7.309 1.807 3073.618 8014.450 2.058 4.355 21.753 45.923 289 291 758 760 6.496000e+03 0.000000e+00 4.633600e+04 0.00000 1 3.H;3.HB 0 0 0
56 717.172 466.848 2.000 2.000 2.303 5.241 7579.690 4923.389 3.319 2.811 35.080 29.640 716 718 465 467 4.688000e+03 0.000000e+00 3.162400e+04 0.00000 1 8.HB;8.HA 0 0 0
57 372.808 630.714 2.000 2.000 6.346 3.321 3940.150 6651.528 2.403 5.233 25.400 55.186 371 373 629 631 5.720000e+03 0.000000e+00 7.556800e+04 0.00000 1 1.H;1.HB2 0 0 0
58 461.070 731.015 2.000 2.000 5.310 2.146 4872.986 7709.304 3.091 3.557 32.669 37.515 460 462 730 732 8.312000e+03 0.000000e+00 6.785600e+04 0.00000 1 11.HA;11.HB 0 0 0
59 670.961 557.093 2.000 2.000 2.846 4.184 7091.295 5875.122 1.288 2.264 13.615 23.877 669 671 556 558 6.368000e+03 0.000000e+00 1.760800e+04 0.00000 1 2.HN1;2.HA 0 0 0
60 461.063 824.068 2.000 2.000 5.310 1.056 4872.915 8690.643 3.212 3.140 33.950 33.118 460 462 823 825 9.880000e+03 0.000000e+00 5.076000e+04 0.00000 1 11.HA;11.HG13 0 0 0
61 828.061 759.949 2.000 2.000 1.001 1.807 8751.664 8014.450 4.456 3.711 47.097 39.140 827 829 758 760 9.088000e+03 0.000000e+00 2.035200e+04 0.00000 1 3.HG13;3.HB 0 0 0
62 759.416 828.744 2.000 2.000 1.807 1.001 8026.156 8739.958 2.418 9.747 25.554 102.792 758 760 827 829 8.280000e+03 0.000000e+00 5.912800e+04 0.00000 1 3.HB;3.HG12 0 0 0
63 461.070 836.938 2.000 2.000 5.310 0.905 4872.986 8826.371 2.867 9.054 30.304 95.485 460 462 835 837 3.918400e+04 0.000000e+00 2.745760e+05 0.00000 1 11.HA;11.HG23 0 0 0
64 670.981 728.286 2.000 2.000 2.845 2.178 7091.503 7680.528 1.123 3.584 11.871 37.796 669 671 727 729 3.180800e+04 0.000000e+00 1.292320e+05 0.00000 1 2.HN1;2.HB 0 0 0
65 642.224 650.356 2.000 2.000 3.183 3.091 6787.571 6858.677 22.747 24.478 240.409 258.149 641 643 649 651 5.861600e+04 0.000000e+00 4.007840e+05 0.00000 1 9.HA3;9.HN3 0 0 0
66 726.030 499.964 2.000 2.000 2.199 4.853 7673.304 5272.641 2.200 3.232 23.252 34.088 725 727 498 500 9.560000e+03 0.000000e+00 6.404800e+04 0.00000 1 10.HB;10.HA 0 0 0
68 728.020 671.441 2.000 2.000 2.176 2.844 7694.344 7081.033 2.041 2.319 21.571 24.456 727 729 670 672 1.807200e+04 0.000000e+00 6.534400e+04 0.00000 1 2.HB;2.HN1 0 0 0
69 477.508 675.621 2.000 2.000 5.117 2.795 5046.712 7125.117 2.254 2.540 23.824 26.791 476 478 674 676 4.406400e+04 0.000000e+00 1.392560e+05 0.00000 1 5.HA;5.HN1 0 0 0
70 730.543 836.938 2.000 2.000 2.146 0.905 7721.011 8826.371 4.245 7.431 44.865 78.370 729 731 835 837 2.148800e+04 0.000000e+00 6.136800e+04 0.00000 1 11.HB;11.HG23 0 0 0
71 731.167 653.932 2.000 2.000 2.139 3.049 7727.600 6896.390 2.452 4.015 25.913 42.346 730 732 652 654 2.216800e+04 0.000000e+00 1.738080e+05 0.00000 1 11.HB;11.HN1 0 0 0
72 466.947 837.535 2.000 2.000 5.241 0.898 4935.095 8832.672 1.790 2.514 18.921 26.512 465 467 836 838 1.991200e+04 0.000000e+00 3.948000e+04 0.00000 1 8.HA;8.HG22 0 0 0
73 499.992 726.491 2.000 2.000 4.853 2.199 5284.347 7661.597 3.740 2.914 39.529 30.727 498 500 725 727 1.544000e+04 0.000000e+00 4.845600e+04 0.00000 1 10.HA;10.HB 0 0 0
74 504.847 290.338 2.000 2.000 4.796 7.309 5335.655 3061.911 1.941 3.664 20.519 38.644 503 505 289 291 5.400000e+03 0.000000e+00 2.692000e+04 0.00000 1 3.HA;3.H 0 0 0
75 630.470 468.042 2.000 2.000 3.321 5.227 6663.353 4935.991 2.831 2.931 29.923 30.909 629 631 467 469 8.224000e+03 0.000000e+00 3.280800e+04 0.00000 1 1.HB2;1.HA 0 0 0
76 714.447 479.650 2.000 2.000 2.335 5.091 7550.885 5058.409 2.284 3.811 24.134 40.192 713 715 478 480 3.624000e+03 0.000000e+00 1.693600e+04 0.00000 1 4.HB;4.HA 0 0 0
78 560.632 634.395 2.000 2.000 4.141 3.278 5925.243 6690.352 3.173 2.904 33.530 30.624 559 561 633 635 7.728000e+03 0.000000e+00 1.713600e+04 0.00000 1 12.HA2;12.HN1 0 0 0
79 656.798 479.817 2.000 2.000 3.012 5.089 6941.605 5060.169 1.138 2.697 12.031 28.445 655 657 478 480 7.077600e+04 0.000000e+00 2.744720e+05 0.00000 1 4.HN2;4.HA 0 0 0
80 307.377 726.599 2.000 2.000 7.115 2.198 3248.626 7662.737 2.579 2.856 27.256 30.118 306 308 725 727 2.296000e+03 0.000000e+00 1.078400e+04 0.00000 1 10.H;10.HB 0 0 0
81 504.847 828.744 2.000 2.000 4.796 1.001 5335.655 8739.958 1.497 2.505 15.823 26.415 503 505 827 829 7.040000e+03 0.000000e+00 2.484000e+04 0.00000 1 3.HA;3.HG12 0 0 0
82 485.080 660.364 2.000 2.000 5.028 2.974 5126.742 6964.223 3.639 4.490 38.460 47.348 484 486 659 661 6.256000e+03 0.000000e+00 3.384000e+04 0.00000 1 6.HA2;6.HN2 0 0 0
83 489.701 642.236 2.000 2.000 4.974 3.186 5175.583 6773.041 2.894 2.764 30.584 29.147 488 490 641 643 7.998400e+04 0.000000e+00 3.595680e+05 0.00000 1 9.HA2;9.HA3 0 0 0
84 485.248 632.536 2.000 2.000 5.026 3.300 5128.517 6670.739 3.236 3.173 34.205 33.461 484 486 631 633 7.855200e+04 0.000000e+00 2.448320e+05 0.00000 1 6.HA2;6.HA3 0 0 0
85 372.852 654.390 2.000 2.000 6.346 3.044 3940.618 6901.219 1.913 2.566 20.222 27.057 371 373 653 655 6.720000e+03 0.000000e+00 3.207200e+04 0.00000 1 1.H;11.HN1 0 0 0
86 372.850 582.590 2.000 2.000 6.346 3.885 3940.601 6144.008 1.867 3.831 19.734 40.397 371 373 581 583 1.003200e+04 0.000000e+00 7.532800e+04 0.00000 1 1.H;12.HA3 0 0 0
87 372.830 560.578 2.000 2.000 6.346 4.143 3940.389 5911.877 1.747 3.049 18.466 32.158 371 373 559 561 8.672000e+03 0.000000e+00 4.018400e+04 0.00000 1 1.H;12.HA2 0 0 0
88 560.885 372.429 2.000 2.000 4.138 6.347 5927.909 3927.646 2.321 2.443 24.528 25.761 559 561 371 373 7.992000e+03 0.000000e+00 4.121600e+04 0.00000 1 12.HA2;1.H 0 0 0
89 582.994 372.429 2.000 2.000 3.878 6.347 6161.578 3927.646 4.154 3.142 43.904 33.135 581 583 371 373 6.032000e+03 0.000000e+00 5.524800e+04 0.00000 1 12.HA3;1.H 0 0 0
90 653.921 726.482 2.000 2.000 3.046 2.199 6911.203 7661.503 1.292 2.877 13.654 30.336 652 654 725 727 2.770400e+04 0.000000e+00 6.255200e+04 0.00000 1 11.HN1;10.HB 0 0 0
91 707.366 656.982 2.000 2.000 2.418 3.013 7476.053 6928.555 2.747 3.150 29.028 33.223 706 708 655 657 2.227200e+04 0.000000e+00 1.744640e+05 0.00000 1 5.HB;4.HN2 0 0 0
92 714.446 675.648 2.000 2.000 2.335 2.795 7550.877 7125.406 2.722 3.273 28.768 34.519 713 715 674 676 1.716000e+04 0.000000e+00 1.454160e+05 0.00000 1 4.HB;5.HN1 0 0 0
93 675.142 714.939 2.000 2.000 2.796 2.334 7135.482 7539.774 1.974 3.326 20.868 35.071 674 676 713 715 3.242400e+04 0.000000e+00 2.038800e+05 0.00000 1 5.HN1;4.HB 0 0 0
94 631.836 660.607 2.000 2.000 3.305 2.971 6677.788 6966.780 4.089 2.668 43.211 28.134 630 632 659 661 2.407200e+04 0.000000e+00 1.212240e+05 0.00000 1 6.HA3;6.HN2 0 0 0
95 631.715 664.671 2.000 2.000 3.306 2.923 6676.509 7009.645 3.777 2.740 39.918 28.898 630 632 663 665 2.840000e+04 0.000000e+00 8.573600e+04 0.00000 1 6.HA3;7.HN3 0 0 0
96 660.035 632.191 2.000 2.000 2.974 3.304 6975.821 6667.104 1.699 2.857 17.955 30.125 659 661 631 633 4.991200e+04 0.000000e+00 2.728800e+05 0.00000 1 6.HN2;6.HA3 0 0 0
97 664.084 632.025 2.000 2.000 2.926 3.306 7018.607 6665.352 1.410 2.594 14.906 27.359 663 665 631 633 5.557600e+04 0.000000e+00 2.235600e+05 0.00000 1 7.HN3;6.HA3 0 0 0
98 632.184 485.106 2.000 2.000 3.301 5.027 6681.458 5115.942 3.351 2.939 35.419 30.997 631 633 484 486 8.410400e+04 0.000000e+00 2.663840e+05 0.00000 1 6.HA3;6.HA2 0 0 0
99 660.109 485.106 2.000 2.000 2.973 5.027 6976.598 5115.942 1.527 2.904 16.140 30.628 659 661 484 486 1.247200e+04 0.000000e+00 5.590400e+04 0.00000 1 6.HN2;6.HA2 0 0 0
100 664.083 485.203 2.000 2.000 2.926 5.026 7018.596 5116.969 1.443 3.163 15.254 33.361 663 665 484 486 5.555200e+04 0.000000e+00 2.241040e+05 0.00000 1 7.HN3;6.HA2 0 0 0
101 556.762 839.826 2.000 2.000 4.186 0.871 5884.339 8856.836 2.756 1.896 29.132 19.998 555 557 838 840 1.978400e+04 0.000000e+00 7.044000e+04 0.00000 1 2.HA;2.HG1* 0 0 0
102 556.778 872.707 2.000 2.000 4.186 0.486 5884.509 9203.600 2.017 3.018 21.322 31.829 555 557 871 873 9.792000e+03 0.000000e+00 5.744000e+04 0.00000 1 2.HA;2.HG2* 0 0 0
103 468.076 872.559 2.000 2.000 5.228 0.488 4947.027 9202.037 2.039 2.861 21.553 30.176 467 469 871 873 5.936000e+03 0.000000e+00 2.999200e+04 0.00000 1 1.HA;2.HG2* 0 0 0
104 671.013 872.722 2.000 2.000 2.845 0.486 7091.840 9203.758 1.164 2.693 12.307 28.396 670 672 871 873 2.412800e+04 0.000000e+00 7.625600e+04 0.00000 1 2.HN1;2.HG2* 0 0 0
105 727.872 872.790 2.000 2.000 2.177 0.485 7692.772 9204.468 2.294 3.058 24.248 32.251 726 728 871 873 1.562400e+04 0.000000e+00 1.092640e+05 0.00000 1 2.HB;2.HG2* 0 0 0
106 871.856 728.441 2.000 2.000 0.487 2.176 9214.525 7682.159 1.891 3.419 19.989 36.052 870 872 727 729 1.257600e+04 0.000000e+00 3.993600e+04 0.00000 1 2.HG2*;2.HB 0 0 0
107 871.871 671.712 2.000 2.000 0.487 2.841 9214.684 7083.900 1.358 2.930 14.351 30.900 870 872 670 672 1.064000e+04 0.000000e+00 4.391200e+04 0.00000 1 2.HG2*;2.HN1 0 0 0
108 871.871 630.834 2.000 2.000 0.487 3.320 9214.684 6652.795 1.459 2.941 15.416 31.012 870 872 629 631 6.608000e+03 0.000000e+00 2.771200e+04 0.00000 1 2.HG2*;1.HB2 0 0 0
109 871.989 556.893 2.000 2.000 0.485 4.186 9215.926 5873.011 1.460 2.741 15.428 28.904 870 872 555 557 1.110400e+04 0.000000e+00 6.226400e+04 0.00000 1 2.HG2*;2.HA 0 0 0
110 871.948 467.966 2.000 2.000 0.486 5.228 9215.491 4935.181 1.156 2.833 12.222 29.882 870 872 466 468 7.640000e+03 0.000000e+00 2.415200e+04 0.00000 1 2.HG2*;1.HA 0 0 0
111 556.867 290.228 2.000 2.000 4.185 7.310 5885.452 3060.757 1.923 3.045 20.320 32.112 555 557 289 291 2.185600e+04 0.000000e+00 1.273280e+05 0.00000 1 2.HA;3.H 0 0 0
112 556.832 468.082 2.000 2.000 4.186 5.227 5885.074 4936.411 1.914 2.448 20.230 25.812 555 557 467 469 8.908000e+04 0.000000e+00 4.022880e+05 0.00000 1 2.HA;1.HA 0 0 0
113 660.105 477.233 2.000 2.000 2.973 5.119 6976.559 5032.914 1.567 2.418 16.556 25.498 659 661 476 478 7.622400e+04 0.000000e+00 2.797760e+05 0.00000 1 6.HN2;5.HA 0 0 0
114 504.954 656.999 2.000 2.000 4.795 3.013 5336.788 6928.737 1.706 2.051 18.028 21.633 503 505 655 657 6.347200e+04 0.000000e+00 2.387200e+05 0.00000 1 3.HA;4.HN2 0 0 0
115 504.888 834.976 2.000 2.000 4.796 0.928 5336.087 8805.684 1.904 3.387 20.127 35.716 503 505 833 835 1.562400e+04 0.000000e+00 8.346400e+04 0.00000 1 3.HA;3.QG2 0 0 0
116 656.742 759.989 2.000 2.000 3.013 1.807 6941.014 8014.869 1.638 2.687 17.315 28.339 655 657 758 760 1.582400e+04 0.000000e+00 6.562400e+04 0.00000 1 4.HN2;3.HB 0 0 0
117 656.758 707.584 2.000 2.000 3.012 2.421 6941.182 7462.203 1.694 3.663 17.903 38.628 655 657 706 708 3.348800e+04 0.000000e+00 3.316160e+05 0.00000 1 4.HN2;5.HB 0 0 0
118 656.688 504.982 2.000 2.000 3.013 4.794 6940.439 5325.553 1.589 2.844 16.790 29.996 655 657 503 505 6.235200e+04 0.000000e+00 2.658880e+05 0.00000 1 4.HN2;3.HA 0 0 0
119 307.307 489.728 2.000 2.000 7.115 4.973 3247.882 5164.686 2.681 3.136 28.337 33.075 306 308 488 490 9.760000e+03 0.000000e+00 7.380000e+04 0.00000 1 10.H;9.HA2 0 0 0
120 653.904 372.559 2.000 2.000 3.046 6.346 6911.017 3929.020 1.429 3.088 15.103 32.562 652 654 371 373 1.077600e+04 0.000000e+00 4.144000e+04 0.00000 1 11.HN1;1.H 0 0 0
121 480.001 833.618 2.000 2.000 5.088 0.944 5073.060 8791.362 4.484 3.025 47.386 31.903 479 481 832 834 2.378400e+04 0.000000e+00 1.402400e+05 0.00000 1 4.HA;4.HG1* 0 0 0
122 480.041 849.997 2.000 2.000 5.087 0.752 5073.486 8964.093 4.962 2.807 52.438 29.605 479 481 848 850 1.404000e+04 0.000000e+00 9.314400e+04 0.00000 1 4.HA;4.HG2* 0 0 0
123 656.865 850.035 2.000 2.000 3.011 0.752 6942.312 8964.492 1.500 3.610 15.856 38.076 655 657 849 851 2.210400e+04 0.000000e+00 1.203280e+05 0.00000 1 4.HN2;4.HG2* 0 0 0
124 714.391 833.376 2.000 2.000 2.336 0.947 7550.301 8788.806 6.498 3.265 68.672 34.436 713 715 832 834 2.574400e+04 0.000000e+00 1.468000e+05 0.00000 1 4.HB;4.HG1* 0 0 0
125 714.385 849.958 2.000 2.000 2.336 0.752 7550.236 8963.680 3.104 3.049 32.803 32.159 713 715 848 850 1.759200e+04 0.000000e+00 8.801600e+04 0.00000 1 4.HB;4.HG2* 0 0 0
126 477.389 831.921 2.000 2.000 5.118 0.964 5045.460 8773.469 2.406 3.985 25.428 42.024 476 478 830 832 2.956800e+04 0.000000e+00 1.487280e+05 0.00000 1 5.HA;5.HG1* 0 0 0
127 477.597 848.555 2.000 2.000 5.116 0.769 5047.653 8948.889 2.442 5.093 25.806 53.707 476 478 847 849 1.915200e+04 0.000000e+00 1.361520e+05 0.00000 1 5.HA;5.HG2* 0 0 0
128 477.489 660.588 2.000 2.000 5.117 2.971 5046.514 6966.584 2.210 3.107 23.356 32.766 476 478 659 661 4.992000e+04 0.000000e+00 1.815920e+05 0.00000 1 5.HA;6.HN2 0 0 0
129 477.437 634.235 2.000 2.000 5.118 3.280 5045.965 6688.665 2.488 3.137 26.298 33.084 476 478 633 635 6.664000e+03 0.000000e+00 2.952800e+04 0.00000 1 5.HA;12.HN1 0 0 0
130 633.981 477.186 2.000 2.000 3.280 5.120 6700.450 5032.423 1.616 4.160 17.076 43.874 632 634 476 478 7.560000e+03 0.000000e+00 4.791200e+04 0.00000 1 12.HN1;5.HA 0 0 0
131 831.001 477.155 2.000 2.000 0.966 5.120 8782.728 5032.094 1.490 2.816 15.750 29.701 830 832 476 478 3.545600e+04 0.000000e+00 1.452240e+05 0.00000 1 5.HG1*;5.HA 0 0 0
132 848.056 477.349 2.000 2.000 0.766 5.118 8962.984 5034.142 1.614 3.643 17.055 38.419 847 849 476 478 1.801600e+04 0.000000e+00 7.521600e+04 0.00000 1 5.HG2*;5.HA 0 0 0
133 634.148 846.077 2.000 2.000 3.278 0.798 6702.218 8922.756 1.643 2.248 17.368 23.705 633 635 845 847 1.207200e+04 0.000000e+00 3.776800e+04 0.00000 1 12.HN1;10.QG1 0 0 0
134 485.147 664.817 2.000 2.000 5.027 2.922 5127.447 7011.183 3.243 2.566 34.278 27.064 484 486 663 665 2.588800e+04 0.000000e+00 1.272320e+05 0.00000 1 6.HA2;7.HN3 0 0 0
135 307.119 666.323 2.000 2.000 7.118 2.904 3245.898 7027.064 2.424 3.643 25.622 38.419 306 308 665 667 4.048000e+03 0.000000e+00 2.912800e+04 0.00000 1 10.H;8.HN3 0 0 0
136 665.981 306.312 2.000 2.000 2.904 7.122 7038.656 3230.375 1.288 3.112 13.614 32.823 664 666 305 307 7.464000e+03 0.000000e+00 2.874400e+04 0.00000 1 8.HN3;10.H 0 0 0
137 649.927 717.885 2.000 2.000 3.093 2.300 6868.984 7570.837 2.942 3.003 31.091 31.664 648 650 716 718 1.188000e+04 0.000000e+00 8.976800e+04 0.00000 1 9.HN3;8.HB 0 0 0
138 650.006 837.370 2.000 2.000 3.092 0.900 6869.826 8830.931 2.094 3.344 22.135 35.261 649 651 836 838 2.895200e+04 0.000000e+00 1.690800e+05 0.00000 1 9.HN3;8.HD13 0 0 0
139 649.848 466.620 2.000 2.000 3.093 5.244 6868.147 4920.991 1.597 2.903 16.880 30.619 648 650 465 467 5.940800e+04 0.000000e+00 2.801120e+05 0.00000 1 9.HN3;8.HA 0 0 0
140 489.527 306.898 2.000 2.000 4.976 7.115 5173.747 3236.558 3.039 3.509 32.120 37.010 488 490 305 307 6.200000e+03 0.000000e+00 3.412800e+04 0.00000 1 9.HA2;10.H 0 0 0
141 307.166 642.267 2.000 2.000 7.117 3.186 3246.394 6773.365 1.810 3.042 19.133 32.084 306 308 641 643 4.640000e+03 0.000000e+00 2.467200e+04 0.00000 1 10.H;9.HA3 0 0 0
142 307.166 846.087 2.000 2.000 7.117 0.798 3246.394 8922.862 2.826 2.575 29.871 27.157 306 308 845 847 8.840000e+03 0.000000e+00 6.747200e+04 0.00000 1 10.H;10.QG1 0 0 0
143 641.950 489.580 2.000 2.000 3.186 4.975 6784.680 5163.122 3.088 2.848 32.638 30.031 640 642 488 490 7.543200e+04 0.000000e+00 3.745920e+05 0.00000 1 9.HA3;9.HA2 0 0 0
144 477.369 837.042 2.000 2.000 5.119 0.904 5045.244 8827.469 2.387 7.812 25.228 82.381 476 478 836 838 2.304000e+04 0.000000e+00 1.097600e+05 0.00000 1 5.HA;11.HG23 0 0 0
145 499.898 824.013 2.000 2.000 4.854 1.056 5283.354 8690.069 4.542 2.878 48.003 30.349 498 500 823 825 1.206400e+04 0.000000e+00 7.981600e+04 0.00000 1 10.HA;11.HG12 0 0 0
146 726.006 654.052 2.000 2.000 2.199 3.048 7673.059 6897.655 2.945 3.209 31.129 33.846 725 727 653 655 2.096800e+04 0.000000e+00 1.532800e+05 0.00000 1 10.HB;11.HN1 0 0 0
147 461.242 634.387 2.000 2.000 5.308 3.278 4874.800 6690.261 2.292 2.892 24.222 30.502 460 462 633 635 4.308000e+04 0.000000e+00 2.846000e+05 0.00000 1 11.HA;12.HN1 0 0 0
148 582.762 560.586 2.000 2.000 3.881 4.143 6159.128 5911.960 3.475 3.682 36.730 38.831 581 583 559 561 5.788800e+04 0.000000e+00 4.440880e+05 0.00000 1 12.HA3;12.HA2 0 0 0
149 560.657 582.976 2.000 2.000 4.141 3.880 5925.503 6148.086 2.896 3.381 30.608 35.655 559 561 581 583 7.048000e+04 0.000000e+00 9.132960e+05 0.00000 1 12.HA2;12.HA3 0 0 0
150 634.040 371.967 2.000 2.000 3.279 6.353 6701.081 3922.774 1.287 2.277 13.598 24.017 633 635 370 372 7.568000e+03 0.000000e+00 2.198400e+04 0.00000 1 12.HN1;1.H 0 0 0
151 372.695 634.439 2.000 2.000 6.348 3.277 3938.958 6690.815 1.708 7.315 18.047 77.144 371 373 633 635 4.216000e+03 0.000000e+00 1.552000e+04 0.00000 1 1.H;12.HN1 0 0 0
152 478.011 583.294 2.000 2.000 5.111 3.877 5052.035 6151.436 2.894 3.565 30.590 37.593 477 479 582 584 4.680000e+03 0.000000e+00 2.083200e+04 0.00000 1 5.HA;12.HA3 0 0 0
153 583.065 478.223 2.000 2.000 3.878 5.108 6162.330 5043.356 2.438 2.804 25.770 29.568 582 584 477 479 3.848000e+03 0.000000e+00 2.360000e+04 0.00000 1 12.HA3;5.HA 0 0 0
154 634.115 460.992 2.000 2.000 3.278 5.310 6701.870 4861.635 1.433 2.636 15.143 27.798 633 635 459 461 6.215200e+04 0.000000e+00 2.607840e+05 0.00000 1 12.HN1;11.HA 0 0 0
155 262.684 262.220 2.000 2.000 7.639 7.638 2776.271 2765.375 1.722 2.275 18.202 23.993 261 263 261 263 1.003088e+06 0.000000e+00 3.753384e+06 0.00000 1 1.HE3;1.HE3 0 0 0
156 303.811 303.275 2.000 2.000 7.156 7.157 3210.933 3198.352 2.438 2.673 25.767 28.187 302 304 302 304 3.274232e+06 0.000000e+00 9.788560e+06 0.00000 1 1.HZ3;1.HZ3 0 0 0
157 372.842 372.532 2.000 2.000 6.346 6.346 3940.519 3928.733 2.321 2.431 24.526 25.633 371 373 371 373 5.455360e+05 0.000000e+00 1.892592e+06 0.00000 1 1.H;1.H 0 0 0
158 468.122 468.026 2.000 2.000 5.227 5.227 4947.519 4935.814 2.294 2.558 24.245 26.973 467 469 467 469 1.985728e+06 0.000000e+00 1.057033e+07 0.00000 1 1.HA;1.HA 0 0 0
159 630.473 630.749 2.000 2.000 3.321 3.321 6663.377 6651.898 4.161 3.956 43.975 41.720 629 631 629 631 8.027280e+05 0.000000e+00 2.619040e+06 0.00000 1 1.HB2;1.HB2 0 0 0
160 639.542 639.838 2.000 2.000 3.214 3.214 6759.231 6747.752 3.251 3.359 34.363 35.424 638 640 638 640 1.390856e+06 0.000000e+00 1.350002e+07 0.00000 1 1.HB3;1.HB3 0 0 0
161 727.988 728.467 2.000 2.000 2.176 2.176 7694.003 7682.441 3.136 3.009 33.145 31.737 726 728 727 729 1.583520e+06 0.000000e+00 6.867096e+06 0.00000 1 2.HB;2.HB 0 0 0
162 670.955 671.318 2.000 2.000 2.846 2.845 7091.233 7079.737 1.187 2.199 12.549 23.195 669 671 670 672 4.803080e+06 0.000000e+00 1.385162e+07 0.00000 1 2.HN1;2.HN1 0 0 0
163 556.770 556.947 2.000 2.000 4.186 4.185 5884.418 5873.579 2.257 2.529 23.852 26.675 555 557 555 557 8.984880e+05 0.000000e+00 4.499136e+06 0.00000 1 2.HA;2.HA 0 0 0
164 468.178 556.784 2.000 2.000 5.227 4.187 4948.106 5871.865 2.032 2.442 21.479 25.750 467 469 555 557 8.676000e+04 0.000000e+00 4.601600e+05 0.00000 1 1.HA;2.HA 0 0 0
165 871.933 872.735 2.000 2.000 0.486 0.486 9215.334 9203.893 1.472 2.309 15.558 24.355 870 872 871 873 2.677480e+06 0.000000e+00 1.042890e+07 0.00000 1 2.HG2*;2.HG2* 0 0 0
166 839.137 839.883 2.000 2.000 0.871 0.870 8868.717 8857.436 3.481 2.302 36.794 24.280 838 840 838 840 7.275484e+07 0.000000e+00 1.917055e+08 0.00000 1 2.HG1*;2.HG1* 0 0 0
167 834.228 834.913 2.000 2.000 0.929 0.929 8816.832 8805.016 3.408 2.881 36.018 30.387 833 835 833 835 4.808239e+07 0.000000e+00 1.694963e+08 0.00000 1 3.QG2;3.QG2 0 0 0
168 828.053 828.776 2.000 2.000 1.001 1.001 8751.575 8740.293 2.646 2.659 27.961 28.037 827 829 827 829 6.207352e+06 0.000000e+00 2.161280e+07 0.00000 1 3.HG12;3.HG13 0 0 0
169 759.444 759.946 2.000 2.000 1.807 1.807 8026.456 8014.414 2.989 3.067 31.588 32.349 758 760 758 760 2.244056e+06 0.000000e+00 1.691106e+07 0.00000 1 3.HB;3.HB 0 0 0
170 656.640 656.892 2.000 2.000 3.014 3.014 6939.935 6927.604 1.406 2.182 14.863 23.012 655 657 655 657 8.676576e+06 0.000000e+00 2.889364e+07 0.00000 1 4.HN2;4.HN2 0 0 0
171 504.789 504.810 2.000 2.000 4.797 4.796 5335.045 5323.740 1.914 2.436 20.229 25.693 503 505 503 505 1.034392e+06 0.000000e+00 4.780648e+06 0.00000 1 3.HA;3.HA 0 0 0
172 468.197 290.424 2.000 2.000 5.226 7.308 4948.305 3062.817 1.722 2.154 18.196 22.717 467 469 289 291 7.224000e+03 0.000000e+00 1.848000e+04 0.00000 1 1.HA;3.H 0 0 0
173 290.592 290.182 2.000 2.000 7.312 7.311 3071.223 3060.267 2.887 5.208 30.507 54.925 289 291 289 291 5.377280e+05 0.000000e+00 1.000520e+06 0.00000 1 3.H;3.H 0 0 0
174 849.312 849.956 2.000 2.000 0.751 0.752 8976.254 8963.664 2.769 2.568 29.268 27.083 848 850 848 850 8.110632e+06 0.000000e+00 3.977906e+07 0.00000 1 4.HG2*;4.HG2* 0 0 0
175 847.860 848.501 2.000 2.000 0.769 0.770 8960.912 8948.322 1.666 2.419 17.607 25.513 846 848 847 849 1.372106e+07 0.000000e+00 5.289702e+07 0.00000 1 5.HG2*;5.HG2* 0 0 0
176 832.943 833.552 2.000 2.000 0.944 0.945 8803.259 8790.669 3.212 2.647 33.950 27.913 831 833 832 834 2.910118e+07 0.000000e+00 9.790496e+07 0.00000 1 4.HG1*;4.HG1* 0 0 0
177 831.191 831.847 2.000 2.000 0.964 0.965 8784.743 8772.682 2.232 2.471 23.590 26.055 830 832 830 832 2.291805e+07 0.000000e+00 1.072521e+08 0.00000 1 5.HG1*;5.HG1* 0 0 0
178 714.431 714.893 2.000 2.000 2.335 2.335 7550.717 7539.282 3.008 3.220 31.796 33.957 713 715 713 715 1.049536e+06 0.000000e+00 4.861832e+06 0.00000 1 4.HB;4.HB 0 0 0
179 707.311 707.762 2.000 2.000 2.419 2.418 7475.474 7464.075 4.186 3.737 44.238 39.408 706 708 706 708 2.594520e+06 0.000000e+00 9.976112e+06 0.00000 1 5.HB;5.HB 0 0 0
180 675.330 675.583 2.000 2.000 2.794 2.795 7137.463 7124.724 2.158 2.473 22.812 26.075 674 676 674 676 3.795200e+06 0.000000e+00 2.014878e+07 0.00000 1 5.HN1;5.HN1 0 0 0
181 480.030 479.993 2.000 2.000 5.087 5.087 5073.369 5062.022 2.570 2.772 27.164 29.228 479 481 478 480 1.159544e+06 0.000000e+00 7.764552e+06 0.00000 1 4.HA;4.HA 0 0 0
182 477.441 477.399 2.000 2.000 5.118 5.117 5046.009 5034.663 2.336 2.535 24.691 26.735 476 478 476 478 2.150184e+06 0.000000e+00 1.103923e+07 0.00000 1 5.HA;5.HA 0 0 0
183 485.103 485.123 2.000 2.000 5.028 5.027 5126.987 5116.123 3.259 3.063 34.442 32.300 484 486 484 486 7.616960e+05 0.000000e+00 4.114568e+06 0.00000 1 6.HA2;6.HA2 0 0 0
184 664.461 664.807 2.000 2.000 2.922 2.922 7022.595 7011.074 1.934 2.235 20.440 23.569 663 665 663 665 8.067488e+06 0.000000e+00 3.039266e+07 0.00000 1 7.HN3;7.HN3 0 0 0
185 660.105 660.361 2.000 2.000 2.973 2.974 6976.559 6964.187 1.741 2.504 18.399 26.404 659 661 659 661 3.870096e+06 0.000000e+00 1.759471e+07 0.00000 1 6.HN2;6.HN2 0 0 0
186 632.336 632.512 2.000 2.000 3.299 3.300 6683.073 6670.487 5.160 4.178 54.537 44.062 631 633 631 633 6.253440e+05 0.000000e+00 2.382784e+06 0.00000 1 6.HA3;6.HA3 0 0 0
187 466.966 466.814 2.000 2.000 5.241 5.241 4935.302 4923.033 2.562 2.683 27.081 28.290 465 467 465 467 1.690904e+06 0.000000e+00 9.584056e+06 0.00000 1 8.HA;8.HA 0 0 0
188 666.455 666.691 2.000 2.000 2.898 2.900 7043.667 7030.941 2.539 2.539 26.832 26.780 665 667 665 667 4.396168e+06 0.000000e+00 6.556320e+06 0.00000 1 8.HN3;8.HN3 0 0 0
189 717.351 717.732 2.000 2.000 2.301 2.302 7581.577 7569.227 3.418 3.231 36.127 34.076 716 718 716 718 1.074800e+06 0.000000e+00 4.960600e+06 0.00000 1 8.HB;8.HB 0 0 0
190 798.265 798.988 2.000 2.000 1.351 1.350 8436.753 8426.153 4.124 3.269 43.591 34.472 797 799 797 799 1.840960e+07 0.000000e+00 1.853722e+08 0.00000 1 8.HG12;8.HG12 0 0 0
191 836.809 837.493 2.000 2.000 0.898 0.898 8844.118 8832.229 3.547 2.690 37.483 28.373 835 837 836 838 4.597270e+07 0.000000e+00 1.504132e+08 0.00000 1 8.HG22;8.HG22 0 0 0
192 489.660 489.651 2.000 2.000 4.974 4.974 5175.151 5163.873 3.010 2.946 31.809 31.067 488 490 488 490 8.472800e+05 0.000000e+00 5.430176e+06 0.00000 1 9.HA2;9.HA2 0 0 0
193 641.929 642.223 2.000 2.000 3.186 3.186 6784.453 6772.908 4.022 3.396 42.505 35.809 640 642 641 643 1.098368e+06 0.000000e+00 6.701520e+06 0.00000 1 9.HA3;9.HA3 0 0 0
194 650.003 650.355 2.000 2.000 3.092 3.091 6869.793 6858.664 1.672 2.271 17.676 23.945 649 651 649 651 1.211179e+07 0.000000e+00 4.755668e+07 0.00000 1 9.HN3;9.HN3 0 0 0
195 500.047 654.151 2.000 2.000 4.852 3.047 5284.923 6898.700 1.758 2.251 18.576 23.734 499 501 653 655 6.256800e+04 0.000000e+00 3.408800e+05 0.00000 1 10.HA;11.HN1 0 0 0
196 653.931 499.914 2.000 2.000 3.046 4.854 6911.304 5272.107 1.230 2.543 12.998 26.817 652 654 498 500 8.183200e+04 0.000000e+00 3.028160e+05 0.00000 1 11.HN1;10.HA 0 0 0
197 499.892 499.926 2.000 2.000 4.854 4.853 5283.293 5272.239 2.082 2.517 22.001 26.549 498 500 498 500 1.155016e+06 0.000000e+00 5.873176e+06 0.00000 1 10.HA;10.HA 0 0 0
198 307.377 306.925 2.000 2.000 7.115 7.115 3248.626 3236.837 2.016 2.667 21.305 28.125 306 308 305 307 8.103520e+05 0.000000e+00 2.332224e+06 0.00000 1 10.H;10.H 0 0 0
199 726.168 726.677 2.000 2.000 2.197 2.197 7674.769 7663.558 2.926 2.687 30.925 28.333 725 727 725 727 2.359800e+06 0.000000e+00 8.299696e+06 0.00000 1 10.HB;10.HB 0 0 0
200 725.906 823.737 2.000 2.000 2.200 1.060 7672.001 8687.156 3.777 2.449 39.917 25.824 724 726 822 824 1.624800e+04 0.000000e+00 5.939200e+04 0.00000 1 10.HB;11.HG12 0 0 0
201 823.335 824.047 2.000 2.000 1.056 1.056 8701.714 8690.424 2.615 2.819 27.639 29.729 822 824 823 825 8.743176e+06 0.000000e+00 5.130622e+07 0.00000 1 11.HG13;11.HG13 0 0 0
202 823.344 726.400 2.000 2.000 1.056 2.200 8701.802 7660.637 2.604 4.928 27.525 51.976 822 824 725 727 1.378400e+04 0.000000e+00 9.924800e+04 0.00000 1 11.HG13;10.HB 0 0 0
203 730.172 730.570 2.000 2.000 2.150 2.151 7717.088 7704.616 2.560 2.839 27.052 29.941 729 731 729 731 2.565928e+06 0.000000e+00 8.855576e+06 0.00000 1 11.HB;11.HB 0 0 0
204 829.994 730.770 2.000 2.000 0.978 2.149 8772.089 7706.719 2.486 3.294 26.270 34.741 828 830 729 731 2.494400e+04 0.000000e+00 1.413680e+05 0.00000 1 11.HD12;11.HB 0 0 0
205 836.201 836.905 2.000 2.000 0.905 0.905 8837.690 8826.025 2.451 2.959 25.900 31.208 835 837 835 837 1.020336e+08 0.000000e+00 3.267094e+08 0.00000 1 11.HG23;11.HG23 0 0 0
206 653.963 654.279 2.000 2.000 3.045 3.045 6911.642 6900.044 1.404 2.224 14.843 23.456 652 654 653 655 4.887880e+06 0.000000e+00 1.846029e+07 0.00000 1 11.HN1;11.HN1 0 0 0
207 560.583 560.741 2.000 2.000 4.142 4.141 5924.719 5913.590 3.027 3.092 31.992 32.604 559 561 559 561 8.336800e+05 0.000000e+00 5.792272e+06 0.00000 1 12.HA2;12.HA2 0 0 0
208 582.877 583.000 2.000 2.000 3.880 3.880 6160.348 6148.341 3.397 3.280 35.905 34.591 581 583 582 584 7.368080e+05 0.000000e+00 4.121368e+06 0.00000 1 12.HA3;12.HA3 0 0 0
209 634.072 634.345 2.000 2.000 3.279 3.279 6701.421 6689.818 1.490 2.265 15.742 23.883 633 635 633 635 3.697936e+06 0.000000e+00 1.409360e+07 0.00000 1 12.HN1;12.HN1 0 0 0
210 675.308 634.452 2.000 2.000 2.795 3.277 7137.232 6690.952 2.309 2.922 24.400 30.814 674 676 633 635 1.166400e+04 0.000000e+00 3.504000e+04 0.00000 1 5.HN1;12.HN1 0 0 0
211 634.072 675.558 2.000 2.000 3.279 2.796 6701.412 7124.455 2.546 3.588 26.910 37.843 633 635 674 676 9.040000e+03 0.000000e+00 4.894400e+04 0.00000 1 12.HN1;5.HN1 0 0 0
212 634.075 833.630 2.000 2.000 3.279 0.944 6701.454 8791.487 1.314 5.821 13.888 61.390 633 635 832 834 9.496000e+03 0.000000e+00 2.679200e+04 0.00000 1 12.HN1;4.HG1* 0 0 0
213 845.342 846.099 2.000 2.000 0.798 0.798 8934.295 8922.992 2.401 2.539 25.378 26.771 844 846 845 847 1.216278e+07 0.000000e+00 5.703327e+07 0.00000 1 10.QG1;10.QG1 0 0 0
214 836.850 837.520 2.000 2.000 0.898 0.898 8844.546 8832.515 3.546 2.714 37.472 28.625 835 837 836 838 4.589682e+07 0.000000e+00 1.877175e+08 0.00000 1 8.HD13;8.HD13 0 0 0
215 630.500 639.811 2.000 2.000 3.321 3.215 6663.663 6747.469 3.863 2.877 40.826 30.341 629 631 638 640 1.423600e+05 0.000000e+00 6.805680e+05 0.00000 1 1.HB2;1.HB3 0 0 0
216 639.549 630.641 2.000 2.000 3.214 3.322 6759.305 6650.758 3.482 4.345 36.797 45.823 638 640 629 631 1.263360e+05 0.000000e+00 9.456640e+05 0.00000 1 1.HB3;1.HB2 0 0 0
217 630.526 872.712 2.000 2.000 3.320 0.486 6663.942 9203.643 1.925 3.391 20.346 35.760 629 631 871 873 4.400000e+03 0.000000e+00 2.462400e+04 0.00000 1 1.HB2;2.HG2* 0 0 0
218 304.072 303.571 2.000 2.000 7.153 7.154 3213.699 3201.465 1.927 2.487 20.361 26.232 303 305 302 304 3.716160e+06 0.000000e+00 1.498894e+07 0.00000 1 1.HD1;1.HD1 0 0 0
219 670.973 290.394 2.000 2.000 2.845 7.308 7091.421 3062.507 0.947 2.456 10.005 25.897 669 671 289 291 6.888000e+03 0.000000e+00 1.457600e+04 0.00000 1 2.HN1;3.H 0 0 0
220 670.979 835.072 2.000 2.000 2.845 0.927 7091.481 8806.695 1.527 2.298 16.140 24.231 669 671 834 836 1.288800e+04 0.000000e+00 4.735200e+04 0.00000 1 2.HN1;3.QG2 0 0 0
221 670.955 828.678 2.000 2.000 2.846 1.002 7091.232 8739.266 1.049 4.024 11.092 42.440 669 671 827 829 9.056000e+03 0.000000e+00 1.907200e+04 0.00000 1 2.HN1;3.QG1 0 0 0
222 849.177 657.050 2.000 2.000 0.753 3.013 8974.827 6929.267 2.616 3.125 27.653 32.960 848 850 656 658 1.505600e+04 0.000000e+00 1.153440e+05 0.00000 1 4.HG2*;4.HN2 0 0 0
223 675.183 834.588 2.000 2.000 2.796 0.933 7135.909 8801.591 2.112 3.434 22.325 36.210 674 676 833 835 2.052800e+04 0.000000e+00 1.407600e+05 0.00000 1 5.HN1;4.HG1* 0 0 0
224 675.144 849.985 2.000 2.000 2.796 0.752 7135.500 8963.971 1.977 3.926 20.896 41.399 674 676 848 850 1.145600e+04 0.000000e+00 7.825600e+04 0.00000 1 5.HN1;4.HG2* 0 0 0
225 461.211 461.113 2.000 2.000 5.308 5.308 4874.477 4862.907 2.876 2.997 30.394 31.602 460 462 460 462 1.703560e+06 0.000000e+00 1.168898e+07 0.00000 1 11.HA;11.HA 0 0 0
226 829.887 830.530 2.000 2.000 0.980 0.980 8770.960 8758.797 2.739 2.640 28.947 27.845 828 830 829 831 1.316365e+07 0.000000e+00 4.506209e+07 0.00000 1 11.HD12;11.HD12 0 0 0
227 466.852 649.907 2.000 2.000 5.242 3.096 4934.093 6853.939 2.125 2.437 22.454 25.701 465 467 648 650 4.781600e+04 0.000000e+00 2.327360e+05 0.00000 1 8.HA;9.HN3 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 . . . 4.7 . 2 34848 1
2 . . H 1 H . 'not observed' 12 ppm . . . 4.7 . 1 34848 1
stop_
save_