Content for NMR-STAR saveframe, "spectral_peak_list_6"
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 31080
_Spectral_peak_list.ID 5
_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 [15N,1H] HSQC'
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_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 11.740ppm 4.773ppm
DATA Y_AXIS 15N 1 512 133.082ppm 101.148ppm
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
1 259.136 11.005 2.000 2.000 9.982 132.456 1412.181 55.772 5.235 4.600 28.529 23.312 258 260 10 12 4.742212e+07 0.000000e+00 3.627918e+08 0.00000 1 73.HE1;73.NE1 0 0 0
2 465.483 16.773 2.000 2.000 8.577 132.096 2536.683 85.001 4.834 4.735 26.342 23.994 464 466 15 17 4.924518e+07 0.000000e+00 3.755024e+08 0.00000 1 116.H;116.N 0 0 0
3 188.991 62.167 2.000 2.000 10.460 129.259 1029.921 315.047 4.832 4.200 26.332 21.283 187 189 61 63 4.631720e+07 0.000000e+00 3.456612e+08 0.00000 1 11.HE1;11.NE1 0 0 0
4 514.964 67.743 2.000 2.000 8.240 128.911 2806.331 343.305 5.212 4.515 28.403 22.883 513 515 66 68 5.733721e+07 0.000000e+00 4.385254e+08 0.00000 1 26.H;26.N 0 0 0
5 429.379 69.132 2.000 2.000 8.823 128.824 2339.929 350.345 5.906 4.794 32.185 24.294 428 430 68 70 3.281552e+07 0.000000e+00 2.563896e+08 0.00000 1 160.H;160.N 0 0 0
6 315.817 72.017 2.000 2.000 9.596 128.644 1721.063 364.965 6.141 4.147 33.465 21.018 314 316 71 73 5.099070e+07 0.000000e+00 3.901904e+08 0.00000 1 34.HE1;34.NE1 0 0 0
7 329.359 79.470 2.000 2.000 9.504 128.178 1794.866 402.736 6.159 4.912 33.565 24.895 328 330 78 80 3.000107e+07 0.000000e+00 2.366298e+08 0.00000 1 62.H;62.N 0 0 0
8 390.321 86.555 2.000 2.000 9.089 127.735 2127.082 438.641 5.509 4.793 30.024 24.288 389 391 85 87 4.220556e+07 0.000000e+00 3.285139e+08 0.00000 1 151.H;151.N 0 0 0
9 367.118 89.735 2.000 2.000 9.247 127.536 2000.635 454.756 6.119 4.798 33.348 24.317 366 368 88 90 3.178005e+07 0.000000e+00 2.491767e+08 0.00000 1 150.H;150.N 0 0 0
10 432.557 90.792 2.000 2.000 8.801 127.470 2357.247 460.117 6.443 4.799 35.114 24.322 431 433 89 91 3.254642e+07 0.000000e+00 2.558613e+08 0.00000 1 114.H;114.N 0 0 0
11 534.852 92.159 2.000 2.000 8.105 127.385 2914.711 467.044 6.477 4.916 35.296 24.912 533 535 91 93 3.354058e+07 0.000000e+00 2.637154e+08 0.00000 1 161.H;161.N 0 0 0
12 541.601 97.433 2.000 2.000 8.059 127.055 2951.492 493.771 7.407 5.147 40.368 26.083 540 542 96 98 2.358900e+07 0.000000e+00 1.887123e+08 0.00000 1 61.H;61.N 0 0 0
13 446.807 110.911 2.000 2.000 8.704 126.213 2434.906 562.073 4.989 4.581 27.188 23.215 445 447 109 111 6.670682e+07 0.000000e+00 5.070780e+08 0.00000 1 14.H;14.N 0 0 0
14 554.805 110.582 2.000 2.000 7.969 126.234 3023.448 560.406 5.480 4.662 29.861 23.627 553 555 109 111 4.721356e+07 0.000000e+00 3.648497e+08 0.00000 1 163.H;163.N 0 0 0
15 572.494 110.612 2.000 2.000 7.848 126.232 3119.846 560.557 6.149 4.754 33.512 24.095 571 573 109 111 3.785537e+07 0.000000e+00 2.969908e+08 0.00000 1 78.H;78.N 0 0 0
16 424.968 119.466 2.000 2.000 8.853 125.678 2315.892 605.428 6.726 5.206 36.653 26.382 423 425 118 120 2.666365e+07 0.000000e+00 2.126585e+08 0.00000 1 159.H;159.N 0 0 0
17 438.987 122.616 2.000 2.000 8.757 125.482 2392.290 621.393 7.145 5.199 38.934 26.346 437 439 121 123 2.517258e+07 0.000000e+00 2.007496e+08 0.00000 1 122.H;122.N 0 0 0
18 481.266 124.162 2.000 2.000 8.470 125.385 2622.689 629.227 4.392 4.460 23.936 22.601 480 482 123 125 8.556748e+07 0.000000e+00 6.348503e+08 0.00000 1 36.H;36.N 0 0 0
20 423.811 129.748 2.000 2.000 8.861 125.036 2309.584 657.537 6.827 4.931 37.203 24.988 422 424 128 130 2.842709e+07 0.000000e+00 2.256684e+08 0.00000 1 60.H;60.N 0 0 0
21 265.755 130.723 2.000 2.000 9.937 124.975 1448.248 662.476 5.949 5.337 32.421 27.044 264 266 129 131 2.757605e+07 0.000000e+00 2.168019e+08 0.00000 1 112.H;112.N 0 0 0
22 469.944 131.025 2.000 2.000 8.547 124.956 2560.992 664.005 4.794 4.346 26.125 22.026 468 470 130 132 9.923588e+07 0.000000e+00 7.438915e+08 0.00000 1 7.H;7.N 0 0 0
23 269.319 137.241 2.000 2.000 9.913 124.568 1467.669 695.508 6.673 5.109 36.366 25.893 268 270 136 138 2.917092e+07 0.000000e+00 2.318322e+08 0.00000 1 157.H;157.N 0 0 0
24 336.889 136.605 2.000 2.000 9.453 124.607 1835.897 692.283 5.344 4.467 29.125 22.638 335 337 135 137 5.660258e+07 0.000000e+00 4.338726e+08 0.00000 1 25.H;25.N 0 0 0
25 426.878 143.150 2.000 2.000 8.840 124.198 2326.298 725.454 4.613 4.577 25.138 23.193 425 427 142 144 8.352458e+07 0.000000e+00 6.266919e+08 0.00000 1 13.H;13.N 0 0 0
26 479.570 143.445 2.000 2.000 8.481 124.180 2613.451 726.948 4.440 4.514 24.195 22.874 478 480 142 144 8.448380e+07 0.000000e+00 6.309340e+08 0.00000 1 22.H;22.N 0 0 0
27 587.926 142.544 2.000 2.000 7.743 124.236 3203.941 722.385 5.176 4.644 28.205 23.535 586 588 141 143 5.935524e+07 0.000000e+00 4.562813e+08 0.00000 1 118.H;118.N 0 0 0
28 615.665 147.330 2.000 2.000 7.554 123.937 3355.106 746.636 5.559 4.831 30.295 24.483 614 616 146 148 3.970558e+07 0.000000e+00 3.080412e+08 0.00000 1 80.H;80.N 0 0 0
30 299.439 153.335 2.000 2.000 9.708 123.562 1631.815 777.067 5.563 4.981 30.315 25.243 298 300 152 154 3.489914e+07 0.000000e+00 2.724308e+08 0.00000 1 147.H;147.N 0 0 0
31 513.207 154.659 2.000 2.000 8.252 123.479 2796.758 783.781 3.865 4.180 21.060 21.182 512 514 153 155 1.313660e+08 0.000000e+00 9.433096e+08 0.00000 1 6.H;6.N 0 0 0
32 530.701 155.006 2.000 2.000 8.133 123.457 2892.092 785.536 5.766 11.161 31.421 56.559 529 531 154 156 4.301193e+07 0.000000e+00 3.383960e+08 0.00000 1 113.H;113.N 0 0 0
33 532.599 160.946 2.000 2.000 8.120 123.086 2902.435 815.641 5.094 5.066 27.760 25.671 531 533 159 161 6.321512e+07 0.000000e+00 4.845198e+08 0.00000 1 92.H;92.N 0 0 0
34 511.171 161.571 2.000 2.000 8.266 123.047 2785.662 818.807 13.070 5.354 71.227 27.135 510 512 160 162 4.014179e+07 0.000000e+00 3.240116e+08 0.00000 1 156.H;156.N 0 0 0
35 517.683 163.069 2.000 2.000 8.221 122.954 2821.150 826.397 11.578 5.319 63.095 26.955 516 518 162 164 4.929677e+07 0.000000e+00 3.920085e+08 0.00000 1 146.H;146.N 0 0 0
36 461.218 163.883 2.000 2.000 8.606 122.903 2513.439 830.523 5.706 4.718 31.098 23.912 460 462 162 164 5.258662e+07 0.000000e+00 4.109063e+08 0.00000 1 53.H;53.N 0 0 0
37 435.332 169.499 2.000 2.000 8.782 122.552 2372.372 858.983 5.161 4.890 28.124 24.781 434 436 168 170 5.227666e+07 0.000000e+00 4.019554e+08 0.00000 1 107.H;107.N 0 0 0
38 525.953 168.579 2.000 2.000 8.165 122.609 2866.216 854.323 5.493 14.849 29.932 75.249 524 526 167 169 3.745505e+07 0.000000e+00 2.966886e+08 0.00000 1 68.H;68.N 0 0 0
39 419.745 169.599 2.000 2.000 8.888 122.546 2287.427 859.493 6.580 5.373 35.859 27.227 418 420 168 170 3.720042e+07 0.000000e+00 2.955097e+08 0.00000 1 82.H;82.N 0 0 0
40 445.996 170.401 2.000 2.000 8.710 122.495 2430.484 863.557 19.241 6.172 104.856 31.280 444 446 169 171 2.550791e+07 0.000000e+00 2.044400e+08 0.00000 1 135.H;135.N 0 0 0
42 392.116 173.660 2.000 2.000 9.077 122.292 2136.862 880.072 5.263 4.940 28.683 25.036 391 393 172 174 4.127142e+07 0.000000e+00 3.183590e+08 0.00000 1 103.H;103.N 0 0 0
43 423.169 176.284 2.000 2.000 8.865 122.128 2306.085 893.372 6.944 11.084 37.840 56.170 422 424 175 177 3.199013e+07 0.000000e+00 2.591741e+08 0.00000 1 142.H;142.N 0 0 0
44 453.197 175.581 2.000 2.000 8.661 122.172 2469.730 889.807 5.359 6.708 29.207 33.996 452 454 174 176 8.780937e+07 0.000000e+00 7.104226e+08 0.00000 1 23.H;23.N 0 0 0
45 524.574 176.419 2.000 2.000 8.175 122.119 2858.701 894.054 5.412 5.706 29.491 28.916 523 525 175 177 6.038781e+07 0.000000e+00 4.713797e+08 0.00000 1 145.H;145.N 0 0 0
46 496.298 178.166 2.000 2.000 8.367 122.010 2704.612 902.908 3.602 4.027 19.629 20.406 495 497 177 179 1.651446e+08 0.000000e+00 1.158624e+09 0.00000 1 5.H;5.N 0 0 0
48 512.443 181.571 2.000 2.000 8.257 121.797 2792.593 920.164 13.746 6.058 74.907 30.701 511 513 180 182 9.178493e+07 0.000000e+00 7.529146e+08 0.00000 1 100.H;100.N 0 0 0
49 560.329 182.980 2.000 2.000 7.931 121.709 3053.552 927.304 5.349 4.845 29.152 24.552 559 561 181 183 4.857855e+07 0.000000e+00 3.747475e+08 0.00000 1 84.H;84.N 0 0 0
51 423.530 185.793 2.000 2.000 8.863 121.533 2308.055 941.562 5.450 6.264 29.701 31.742 422 424 184 186 6.711283e+07 0.000000e+00 5.331789e+08 0.00000 1 34.H;34.N 0 0 0
52 571.843 188.102 2.000 2.000 7.853 121.389 3116.298 953.260 5.122 5.195 27.914 26.325 570 572 187 189 4.946548e+07 0.000000e+00 3.813945e+08 0.00000 1 67.H;67.N 0 0 0
53 584.836 190.301 2.000 2.000 7.764 121.252 3187.101 964.404 5.201 4.747 28.343 24.059 583 585 189 191 5.068060e+07 0.000000e+00 3.877121e+08 0.00000 1 88.H;88.N 0 0 0
54 680.309 191.180 2.000 2.000 7.114 121.197 3707.388 968.860 5.230 4.456 28.501 22.581 679 681 190 192 7.207286e+07 0.000000e+00 5.489566e+08 0.00000 1 31.H;31.N 0 0 0
55 394.177 194.050 2.000 2.000 9.063 121.018 2148.096 983.403 13.848 5.057 75.464 25.629 393 395 193 195 5.843857e+07 0.000000e+00 4.716934e+08 0.00000 1 71.H;71.N 0 0 0
56 521.872 194.404 2.000 2.000 8.193 120.995 2843.975 985.200 6.767 6.079 36.878 30.808 520 522 193 195 3.812380e+07 0.000000e+00 3.034994e+08 0.00000 1 56.H;56.N 0 0 0
57 400.178 195.172 2.000 2.000 9.022 120.947 2180.799 989.092 14.084 4.932 76.752 24.995 399 401 194 196 5.562063e+07 0.000000e+00 4.373068e+08 0.00000 1 97.H;97.N 0 0 0
58 360.021 197.132 2.000 2.000 9.295 120.825 1961.957 999.025 5.079 4.456 27.680 22.580 359 361 196 198 5.833965e+07 0.000000e+00 4.405195e+08 0.00000 1 16.H;16.N 0 0 0
59 487.840 197.328 2.000 2.000 8.425 120.813 2658.515 1000.018 3.331 4.075 18.153 20.652 486 488 196 198 2.088586e+08 0.000000e+00 1.438017e+09 0.00000 1 4.H;4.N 0 0 0
60 510.141 196.782 2.000 2.000 8.273 120.847 2780.049 997.251 4.480 4.263 24.416 21.602 509 511 195 197 7.969119e+07 0.000000e+00 5.874675e+08 0.00000 1 46.H;46.N 0 0 0
62 599.841 197.977 2.000 2.000 7.662 120.772 3268.875 1003.305 5.229 4.807 28.495 24.359 598 600 196 198 4.872466e+07 0.000000e+00 3.732783e+08 0.00000 1 106.H;106.N 0 0 0
63 374.795 202.438 2.000 2.000 9.195 120.493 2042.473 1025.912 5.988 4.941 32.635 25.038 373 375 201 203 3.821540e+07 0.000000e+00 3.004814e+08 0.00000 1 66.H;66.N 0 0 0
64 287.477 203.743 2.000 2.000 9.789 120.412 1566.624 1032.527 5.105 4.456 27.823 22.584 286 288 202 204 6.024488e+07 0.000000e+00 4.604991e+08 0.00000 1 12.H;12.N 0 0 0
65 482.397 205.882 2.000 2.000 8.462 120.278 2628.856 1043.367 3.385 3.894 18.449 19.735 481 483 204 206 1.835843e+08 0.000000e+00 1.261898e+09 0.00000 1 3.H;3.N 0 0 0
66 298.644 207.012 2.000 2.000 9.713 120.207 1627.479 1049.094 6.449 5.099 35.144 25.841 297 299 206 208 3.225649e+07 0.000000e+00 2.552459e+08 0.00000 1 59.H;59.N 0 0 0
67 539.485 206.880 2.000 2.000 8.073 120.216 2939.960 1048.423 13.717 4.781 74.753 24.228 538 540 205 207 6.654564e+07 0.000000e+00 5.174969e+08 0.00000 1 95.H;95.N 0 0 0
68 546.406 207.264 2.000 2.000 8.026 120.192 2977.678 1050.372 11.700 4.831 63.761 24.482 545 547 206 208 9.849360e+07 0.000000e+00 7.787874e+08 0.00000 1 27.H;27.N 0 0 0
69 526.047 209.676 2.000 2.000 8.165 120.041 2866.730 1062.594 5.669 5.801 30.891 29.400 525 527 208 210 7.294430e+07 0.000000e+00 5.802616e+08 0.00000 1 96.H;96.N 0 0 0
70 711.518 212.395 2.000 2.000 6.901 119.871 3877.464 1076.373 5.342 5.301 29.109 26.866 710 712 211 213 3.407436e+07 0.000000e+00 2.659965e+08 0.00000 1 141.H;141.N 0 0 0
72 518.965 216.910 2.000 2.000 8.213 119.589 2828.135 1099.255 3.658 4.946 19.934 25.067 517 519 215 217 9.629542e+07 0.000000e+00 7.015230e+08 0.00000 1 49.H;49.N 0 0 0
74 606.055 219.308 2.000 2.000 7.620 119.439 3302.736 1111.407 4.534 4.445 24.709 22.525 605 607 218 220 8.762006e+07 0.000000e+00 6.515331e+08 0.00000 1 21.H;21.N 0 0 0
75 471.126 222.161 2.000 2.000 8.539 119.261 2567.435 1125.865 4.485 4.599 24.444 23.306 470 472 221 223 4.923810e+07 0.000000e+00 3.684204e+08 0.00000 1 47.H;47.N 0 0 0
76 596.617 221.628 2.000 2.000 7.684 119.294 3251.302 1123.163 4.843 4.888 26.391 24.772 595 597 220 222 6.122337e+07 0.000000e+00 4.684045e+08 0.00000 1 87.H;87.N 0 0 0
77 541.721 223.542 2.000 2.000 8.058 119.175 2952.148 1132.861 5.139 4.801 28.006 24.331 540 542 222 224 5.629601e+07 0.000000e+00 4.327921e+08 0.00000 1 124.H;124.N 0 0 0
78 697.461 224.005 2.000 2.000 6.997 119.146 3800.862 1135.210 5.472 4.962 29.821 25.146 696 698 223 225 3.996149e+07 0.000000e+00 3.104008e+08 0.00000 1 140.H;140.N 0 0 0
79 410.256 227.427 2.000 2.000 8.953 118.932 2235.719 1152.553 5.181 4.908 28.235 24.874 409 411 226 228 5.148786e+07 0.000000e+00 3.982301e+08 0.00000 1 72.H;72.N 0 0 0
80 682.539 228.027 2.000 2.000 7.099 118.894 3719.544 1155.594 8.020 5.555 43.703 28.153 681 683 227 229 4.113898e+07 0.000000e+00 3.252793e+08 0.00000 1 137.H;137.N 0 0 0
81 447.735 228.848 2.000 2.000 8.698 118.843 2439.963 1159.753 5.441 4.700 29.651 23.821 446 448 227 229 5.475716e+07 0.000000e+00 4.193455e+08 0.00000 1 90.H;90.N 0 0 0
82 459.819 228.814 2.000 2.000 8.616 118.845 2505.814 1159.583 7.159 4.876 39.015 24.711 458 460 227 229 4.656349e+07 0.000000e+00 3.655851e+08 0.00000 1 93.H;93.N 0 0 0
83 354.070 231.273 2.000 2.000 9.336 118.691 1929.528 1172.040 6.268 4.851 34.158 24.583 353 355 230 232 2.564420e+07 0.000000e+00 2.008260e+08 0.00000 1 136.H;136.N 0 0 0
84 677.870 231.032 2.000 2.000 7.131 118.706 3694.100 1170.823 5.641 5.227 30.742 26.489 676 678 230 232 5.235425e+07 0.000000e+00 4.059857e+08 0.00000 1 121.H;121.N 0 0 0
85 493.911 232.612 2.000 2.000 8.383 118.608 2691.603 1178.829 12.252 4.574 66.767 23.179 492 494 231 233 7.027691e+07 0.000000e+00 5.417670e+08 0.00000 1 40.H;40.N 0 0 0
86 500.899 233.559 2.000 2.000 8.336 118.548 2729.683 1183.629 5.320 4.607 28.990 23.348 499 501 232 234 7.729268e+07 0.000000e+00 5.895125e+08 0.00000 1 102.H;102.N 0 0 0
87 580.747 236.891 2.000 2.000 7.792 118.340 3164.822 1200.515 6.480 4.993 35.312 25.305 579 581 235 237 2.842080e+07 0.000000e+00 2.244959e+08 0.00000 1 129.H;129.N 0 0 0
88 472.433 238.554 2.000 2.000 8.530 118.236 2574.556 1208.942 4.955 4.890 27.003 24.781 471 473 237 239 5.868878e+07 0.000000e+00 4.511167e+08 0.00000 1 83.H;83.N 0 0 0
89 555.034 239.492 2.000 2.000 7.967 118.178 3024.697 1213.695 5.040 5.524 27.464 27.997 554 556 238 240 5.561359e+07 0.000000e+00 4.333385e+08 0.00000 1 30.H;30.N 0 0 0
90 484.971 244.309 2.000 2.000 8.444 117.877 2642.880 1238.104 5.347 4.788 29.137 24.266 483 485 243 245 4.897983e+07 0.000000e+00 3.774970e+08 0.00000 1 42.H;42.N 0 0 0
91 392.038 244.993 2.000 2.000 9.077 117.834 2136.438 1241.573 6.375 5.007 34.743 25.375 391 393 243 245 3.534932e+07 0.000000e+00 2.783675e+08 0.00000 1 153.H;153.N 0 0 0
92 659.269 245.338 2.000 2.000 7.257 117.812 3592.733 1243.318 6.462 5.134 35.218 26.016 658 660 244 246 3.541041e+07 0.000000e+00 2.804222e+08 0.00000 1 57.H;57.N 0 0 0
93 692.735 245.841 2.000 2.000 7.029 117.781 3775.107 1245.869 5.858 5.094 31.925 25.816 691 693 244 246 3.722787e+07 0.000000e+00 2.922222e+08 0.00000 1 74.H;74.N 0 0 0
94 498.459 249.334 2.000 2.000 8.352 117.563 2716.384 1263.569 6.365 4.711 34.687 23.875 497 499 248 250 5.551602e+07 0.000000e+00 4.379248e+08 0.00000 1 43.H;43.N 0 0 0
96 583.284 250.997 2.000 2.000 7.775 117.459 3178.644 1271.998 5.077 4.701 27.669 23.825 582 584 249 251 5.743989e+07 0.000000e+00 4.377203e+08 0.00000 1 94.H;94.N 0 0 0
97 637.703 250.579 2.000 2.000 7.404 117.485 3475.207 1269.880 4.516 4.510 24.612 22.856 636 638 249 251 8.699538e+07 0.000000e+00 6.506863e+08 0.00000 1 11.H;11.N 0 0 0
98 435.651 253.772 2.000 2.000 8.780 117.285 2374.112 1286.061 7.078 4.834 38.574 24.499 434 436 252 254 3.235349e+07 0.000000e+00 2.575877e+08 0.00000 1 125.H;125.N 0 0 0
99 504.392 257.062 2.000 2.000 8.312 117.080 2748.717 1302.733 4.539 4.385 24.737 22.224 503 505 256 258 8.340926e+07 0.000000e+00 6.204766e+08 0.00000 1 35.H;35.N 0 0 0
100 478.547 258.339 2.000 2.000 8.488 117.000 2607.873 1309.209 6.188 4.859 33.721 24.625 477 479 257 259 5.017718e+07 0.000000e+00 3.976363e+08 0.00000 1 143.H;143.N 0 0 0
102 538.776 261.880 2.000 2.000 8.078 116.779 2936.095 1327.153 4.583 4.340 24.978 21.992 537 539 260 262 9.593687e+07 0.000000e+00 7.141106e+08 0.00000 1 15.H;15.N 0 0 0
103 407.329 266.106 2.000 2.000 8.973 116.515 2219.769 1348.569 5.657 4.824 30.826 24.449 406 408 265 267 5.502413e+07 0.000000e+00 4.233037e+08 0.00000 1 104.H;104.N 0 0 0
104 415.904 265.518 2.000 2.000 8.915 116.551 2266.496 1345.586 6.389 4.673 34.817 23.683 414 416 264 266 5.031626e+07 0.000000e+00 3.922006e+08 0.00000 1 24.H;24.N 0 0 0
105 492.941 266.371 2.000 2.000 8.390 116.498 2686.313 1349.912 6.105 4.742 33.269 24.033 491 493 265 267 4.253846e+07 0.000000e+00 3.348339e+08 0.00000 1 41.H;41.N 0 0 0
106 523.753 267.980 2.000 2.000 8.180 116.397 2854.229 1358.066 7.201 4.825 39.244 24.452 522 524 266 268 2.646036e+07 0.000000e+00 2.102747e+08 0.00000 1 79.H;79.N 0 0 0
107 350.571 269.811 2.000 2.000 9.360 116.283 1910.462 1367.343 6.366 4.947 34.691 25.071 349 351 268 270 3.034804e+07 0.000000e+00 2.392663e+08 0.00000 1 58.H;58.N 0 0 0
110 336.459 276.150 2.000 2.000 9.456 115.887 1833.557 1399.468 4.877 4.518 26.576 22.896 335 337 275 277 5.881298e+07 0.000000e+00 4.466648e+08 0.00000 1 33.H;33.N 0 0 0
111 543.414 276.269 2.000 2.000 8.046 115.879 2961.372 1400.070 4.926 4.750 26.843 24.070 542 544 275 277 6.136581e+07 0.000000e+00 4.692854e+08 0.00000 1 105.H;105.N 0 0 0
112 587.303 277.084 2.000 2.000 7.747 115.828 3200.547 1404.203 5.103 4.890 27.807 24.782 586 588 276 278 5.287681e+07 0.000000e+00 4.077079e+08 0.00000 1 54.H;54.N 0 0 0
114 474.406 278.338 2.000 2.000 8.516 115.750 2585.306 1410.558 6.179 4.903 33.675 24.845 473 475 277 279 3.188772e+07 0.000000e+00 2.520091e+08 0.00000 1 158.H;158.N 0 0 0
115 415.236 278.713 2.000 2.000 8.919 115.727 2262.857 1412.459 6.756 5.254 36.819 26.628 414 416 277 279 3.036226e+07 0.000000e+00 2.421428e+08 0.00000 1 144.H;144.N 0 0 0
117 412.821 286.107 2.000 2.000 8.936 115.265 2249.694 1449.930 6.032 5.913 32.874 29.965 411 413 285 287 2.620452e+07 0.000000e+00 2.093344e+08 0.00000 1 154.H;154.N 0 0 0
118 540.261 286.307 2.000 2.000 8.068 115.252 2944.190 1450.942 5.591 4.633 30.467 23.477 539 541 285 287 1.253747e+08 0.000000e+00 9.741122e+08 0.00000 1 38.H;38.N 0 0 0
120 642.450 301.770 2.000 2.000 7.372 114.286 3501.072 1529.306 4.664 4.497 25.418 22.788 641 643 300 302 7.777489e+07 0.000000e+00 5.859155e+08 0.00000 1 101.H;101.N 0 0 0
121 681.807 303.777 2.000 2.000 7.104 114.160 3715.551 1539.475 4.925 4.752 26.838 24.081 680 682 302 304 5.869085e+07 0.000000e+00 4.463112e+08 0.00000 1 117.H;117.N 0 0 0
123 511.120 306.139 2.000 2.000 8.266 114.013 2785.384 1551.449 11.915 4.954 64.934 25.104 510 512 305 307 3.255636e+07 0.000000e+00 2.621761e+08 0.00000 1 64.H;64.N 0 0 0
124 564.254 305.535 2.000 2.000 7.904 114.051 3074.941 1548.387 5.660 5.077 30.843 25.727 563 565 304 306 3.541297e+07 0.000000e+00 2.767102e+08 0.00000 1 55.H;55.N 0 0 0
125 461.985 307.339 2.000 2.000 8.601 113.938 2517.620 1557.527 7.305 4.693 39.810 23.783 460 462 306 308 2.889472e+07 0.000000e+00 2.300026e+08 0.00000 1 126.H;126.N 0 0 0
126 326.895 309.787 2.000 2.000 9.521 113.785 1781.436 1569.932 5.652 4.842 30.802 24.537 325 327 308 310 3.582491e+07 0.000000e+00 2.775192e+08 0.00000 1 65.H;65.N 0 0 0
127 402.010 310.974 2.000 2.000 9.009 113.711 2190.782 1575.951 5.372 4.900 29.273 24.832 401 403 309 311 4.245284e+07 0.000000e+00 3.275382e+08 0.00000 1 81.H;81.N 0 0 0
128 575.582 314.421 2.000 2.000 7.827 113.495 3136.672 1593.418 5.574 4.807 30.376 24.363 574 576 313 315 3.418566e+07 0.000000e+00 2.652505e+08 0.00000 1 138.H;138.N 0 0 0
129 617.598 320.097 2.000 2.000 7.541 113.141 3365.644 1622.182 15.919 7.880 86.752 39.932 616 618 319 321 4.044902e+07 0.000000e+00 3.290531e+08 0.00000 1 33.HE21;33.NE2 0 0 0
130 748.234 319.727 2.000 2.000 6.651 113.164 4077.554 1620.310 5.453 4.648 29.718 23.554 747 749 318 320 4.354506e+07 0.000000e+00 3.354537e+08 0.00000 1 33.HE22;33.NE2 0 0 0
131 397.085 322.294 2.000 2.000 9.043 113.003 2163.941 1633.315 5.646 5.020 30.769 25.441 396 398 321 323 3.711282e+07 0.000000e+00 2.906742e+08 0.00000 1 152.H;152.N 0 0 0
132 453.485 322.790 2.000 2.000 8.659 112.972 2471.298 1635.829 5.478 4.426 29.854 22.430 452 454 321 323 5.867773e+07 0.000000e+00 4.505225e+08 0.00000 1 18.H;18.N 0 0 0
133 671.279 323.240 2.000 2.000 7.175 112.944 3658.180 1638.110 6.188 4.627 33.720 23.450 670 672 322 324 4.208450e+07 0.000000e+00 3.284160e+08 0.00000 1 131.HE21;131.NE2 0 0 0
135 610.082 324.575 2.000 2.000 7.592 112.861 3324.683 1644.876 3.338 4.808 18.193 24.364 609 611 323 325 2.977528e+08 0.000000e+00 2.098986e+09 0.00000 1 131.HE22;131.NE2 0 0 0
136 504.054 327.788 2.000 2.000 8.314 112.660 2746.876 1661.161 5.133 4.506 27.973 22.836 503 505 326 328 7.481856e+07 0.000000e+00 5.710986e+08 0.00000 1 32.H;32.N 0 0 0
137 531.214 328.025 2.000 2.000 8.129 112.645 2894.888 1662.360 5.631 4.749 30.688 24.068 530 532 327 329 4.374290e+07 0.000000e+00 3.396345e+08 0.00000 1 110.H;110.N 0 0 0
138 560.887 328.211 2.000 2.000 7.927 112.633 3056.589 1663.304 5.667 5.138 30.884 26.036 559 561 327 329 5.419332e+07 0.000000e+00 4.217644e+08 0.00000 1 19.H;19.N 0 0 0
140 604.721 330.551 2.000 2.000 7.629 112.487 3295.470 1675.163 3.399 4.029 18.526 20.420 603 605 329 331 1.864104e+08 0.000000e+00 1.287048e+09 0.00000 1 66.HE22;66.NE2 0 0 0
142 709.358 330.552 2.000 2.000 6.916 112.487 3865.694 1675.167 3.973 4.108 21.653 20.818 708 710 329 331 1.670025e+08 0.000000e+00 1.193161e+09 0.00000 1 66.HE21;66.NE2 0 0 0
144 556.158 332.140 2.000 2.000 7.959 112.388 3030.823 1683.213 4.875 4.626 26.566 23.445 555 557 331 333 7.905280e+07 0.000000e+00 5.980335e+08 0.00000 1 20.H;20.N 0 0 0
146 634.633 334.852 2.000 2.000 7.425 112.218 3458.477 1696.961 9.538 4.670 51.975 23.666 633 635 333 335 6.713376e+07 0.000000e+00 5.249570e+08 0.00000 1 30.HD21;30.ND2 0 0 0
147 735.272 334.650 2.000 2.000 6.740 112.231 4006.916 1695.934 4.290 4.169 23.378 21.126 734 736 333 335 1.156100e+08 0.000000e+00 8.448411e+08 0.00000 1 30.HD22;30.ND2 0 0 0
148 617.370 337.471 2.000 2.000 7.543 112.055 3364.397 1710.233 5.840 4.304 31.824 21.814 616 618 336 338 6.853028e+07 0.000000e+00 5.227830e+08 0.00000 1 129.HE21;129.NE2 0 0 0
149 695.313 337.403 2.000 2.000 7.012 112.059 3789.153 1709.887 5.231 4.294 28.505 21.760 694 696 336 338 7.021868e+07 0.000000e+00 5.336319e+08 0.00000 1 129.HE22;129.NE2 0 0 0
150 630.558 337.786 2.000 2.000 7.453 112.035 3436.267 1711.825 3.234 4.063 17.624 20.589 629 631 336 338 2.301465e+08 0.000000e+00 1.576169e+09 0.00000 1 94.HE22;94.NE2 0 0 0
151 715.014 337.839 2.000 2.000 6.878 112.032 3896.517 1712.097 3.445 3.865 18.774 19.586 714 716 336 338 2.246028e+08 0.000000e+00 1.541191e+09 0.00000 1 94.HE21;94.NE2 0 0 0
152 444.212 340.925 2.000 2.000 8.722 111.839 2420.762 1727.736 5.110 4.523 27.850 22.922 443 445 339 341 5.887997e+07 0.000000e+00 4.484312e+08 0.00000 1 10.H;10.N 0 0 0
153 529.330 346.097 2.000 2.000 8.142 111.516 2884.620 1753.946 4.750 4.655 25.883 23.591 528 530 345 347 6.606988e+07 0.000000e+00 5.004070e+08 0.00000 1 98.H;98.N 0 0 0
154 571.475 347.760 2.000 2.000 7.855 111.412 3114.291 1762.375 5.505 4.697 29.998 23.804 570 572 346 348 4.767099e+07 0.000000e+00 3.675952e+08 0.00000 1 111.H;111.N 0 0 0
155 703.339 352.027 2.000 2.000 6.957 111.145 3832.894 1784.000 4.372 4.052 23.823 20.536 702 704 351 353 9.971822e+07 0.000000e+00 7.280901e+08 0.00000 1 109.HE21;109.NE2 0 0 0
156 739.084 352.038 2.000 2.000 6.714 111.144 4027.687 1784.054 4.077 4.063 22.218 20.592 738 740 351 353 1.011506e+08 0.000000e+00 7.264409e+08 0.00000 1 109.HE22;109.NE2 0 0 0
157 636.593 354.374 2.000 2.000 7.412 110.998 3469.157 1795.890 4.623 4.429 25.192 22.444 635 637 353 355 6.843902e+07 0.000000e+00 5.127459e+08 0.00000 1 75.HE22;75.NE2 0 0 0
158 767.434 354.349 2.000 2.000 6.521 111.000 4182.181 1795.764 5.560 4.366 30.300 22.128 766 768 353 355 5.640009e+07 0.000000e+00 4.319604e+08 0.00000 1 75.HE21;75.NE2 0 0 0
159 491.443 359.486 2.000 2.000 8.400 110.679 2678.153 1821.796 4.490 4.528 24.469 22.945 490 492 358 360 1.070552e+08 0.000000e+00 8.041766e+08 0.00000 1 44.H;44.N 0 0 0
160 478.457 361.815 2.000 2.000 8.489 110.533 2607.383 1833.601 5.126 4.538 27.937 22.997 477 479 360 362 6.834290e+07 0.000000e+00 5.232541e+08 0.00000 1 39.H;39.N 0 0 0
161 594.394 362.318 2.000 2.000 7.699 110.502 3239.193 1836.149 5.002 5.150 27.259 26.099 593 595 361 363 4.812844e+07 0.000000e+00 3.725793e+08 0.00000 1 155.H;155.N 0 0 0
162 577.953 365.414 2.000 2.000 7.811 110.308 3149.595 1851.841 5.030 4.660 27.410 23.617 576 578 364 366 6.319278e+07 0.000000e+00 4.827065e+08 0.00000 1 99.H;99.N 0 0 0
163 485.207 369.273 2.000 2.000 8.443 110.067 2644.168 1871.396 4.057 4.640 22.108 23.516 484 486 368 370 1.063408e+08 0.000000e+00 7.844575e+08 0.00000 1 50.H;50.N 0 0 0
164 556.705 368.505 2.000 2.000 7.956 110.115 3033.803 1867.504 5.098 4.799 27.781 24.321 555 557 367 369 5.200208e+07 0.000000e+00 3.994981e+08 0.00000 1 91.H;91.N 0 0 0
165 657.804 371.898 2.000 2.000 7.267 109.903 3584.745 1884.700 6.092 4.748 33.201 24.060 656 658 370 372 2.978887e+07 0.000000e+00 2.315954e+08 0.00000 1 90.HD21;90.ND2 0 0 0
166 761.179 371.890 2.000 2.000 6.563 109.904 4148.095 1884.660 6.641 4.877 36.190 24.714 760 762 370 372 3.045578e+07 0.000000e+00 2.396378e+08 0.00000 1 90.HD22;90.ND2 0 0 0
167 769.470 376.841 2.000 2.000 6.507 109.594 4193.279 1909.751 6.034 4.891 32.885 24.788 768 770 375 377 3.831187e+07 0.000000e+00 2.994870e+08 0.00000 1 26.HD21;26.ND2 0 0 0
168 498.228 383.550 2.000 2.000 8.354 109.175 2715.127 1943.747 4.488 4.305 24.457 21.817 497 499 382 384 5.608414e+07 0.000000e+00 4.169093e+08 0.00000 1 48.H;48.N 0 0 0
169 512.868 392.256 2.000 2.000 8.254 108.631 2794.911 1987.871 4.248 4.655 23.152 23.589 511 513 391 393 1.392641e+08 0.000000e+00 1.040159e+09 0.00000 1 45.H;45.N 0 0 0
170 594.195 393.843 2.000 2.000 7.700 108.532 3238.105 1995.913 4.862 4.744 26.495 24.042 593 595 392 394 5.770606e+07 0.000000e+00 4.376857e+08 0.00000 1 108.H;108.N 0 0 0
171 652.206 404.569 2.000 2.000 7.305 107.862 3554.241 2050.269 5.659 4.490 30.841 22.754 651 653 403 405 5.437271e+07 0.000000e+00 4.197667e+08 0.00000 1 29.H;29.N 0 0 0
172 524.913 407.582 2.000 2.000 8.172 107.673 2860.551 2065.537 6.167 5.369 33.609 27.209 523 525 406 408 2.727562e+07 0.000000e+00 2.171490e+08 0.00000 1 123.H;123.N 0 0 0
173 503.927 474.564 2.000 2.000 8.315 103.487 2746.186 2404.989 5.510 4.820 30.025 24.424 502 504 473 475 3.705791e+07 0.000000e+00 2.871291e+08 0.00000 1 120.H;120.N 0 0 0
174 584.517 479.401 2.000 2.000 7.766 103.185 3185.362 2429.502 5.993 4.628 32.658 23.452 583 585 478 480 3.722240e+07 0.000000e+00 2.908525e+08 0.00000 1 148.H;148.N 0 0 0
175 709.555 236.574 2.000 2.000 6.915 118.360 3866.766 1198.909 12.703 7.137 69.228 36.168 708 710 235 237 5.760232e+06 0.000000e+00 4.870162e+07 0.00000 1 75.H;75.N 0 0 0
176 360.115 36.225 2.000 2.000 9.295 130.880 1962.473 183.583 21.889 3.602 119.287 18.254 359 361 35 37 -6.217419e+04 0.000000e+00 -7.067088e+05 0.00000 1 17.H;17.N 0 0 0
177 233.563 145.467 2.000 2.000 10.156 124.054 1272.815 737.193 9.359 5.086 51.000 25.773 232 234 144 146 1.175670e+07 0.000000e+00 9.604018e+07 0.00000 1 115.H;115.N 0 0 0
178 232.404 328.792 2.000 2.000 10.164 112.597 1266.504 1666.249 7.314 5.028 39.860 25.482 231 233 327 329 1.621544e+07 0.000000e+00 1.301957e+08 0.00000 1 128.H;128.N 0 0 0
179 402.573 244.278 2.000 2.000 9.005 117.879 2193.846 1237.948 18.983 4.993 103.451 25.303 401 403 243 245 2.039029e+07 0.000000e+00 1.635064e+08 0.00000 1 130.H;130.N 0 0 0
180 464.254 243.556 2.000 2.000 8.585 117.924 2529.983 1234.289 16.832 9.768 91.727 49.502 463 465 242 244 1.224069e+07 0.000000e+00 1.026960e+08 0.00000 1 69.H;69.N 0 0 0
181 511.743 290.128 2.000 2.000 8.262 115.013 2788.780 1470.309 6.956 5.261 37.907 26.661 510 512 289 291 2.041403e+07 0.000000e+00 1.632412e+08 0.00000 1 139.H;139.N 0 0 0
182 544.706 207.376 2.000 2.000 8.037 120.185 2968.411 1050.936 6.585 4.900 35.886 24.832 543 545 206 208 8.644527e+07 0.000000e+00 6.965708e+08 0.00000 1 89.H;89.N 0 0 0
183 515.719 180.626 2.000 2.000 8.235 121.856 2810.444 915.374 16.260 5.154 88.607 26.122 514 516 179 181 7.429224e+07 0.000000e+00 6.104259e+08 0.00000 1 51.H;51.N 0 0 0
184 507.855 179.467 2.000 2.000 8.288 121.929 2767.589 909.500 21.224 5.863 115.661 29.710 506 508 178 180 4.682557e+07 0.000000e+00 3.954164e+08 0.00000 1 28.H;28.N 0 0 0
185 524.525 208.535 2.000 2.000 8.175 120.112 2858.433 1056.813 5.669 5.801 30.891 29.400 523 525 207 209 7.294430e+07 0.000000e+00 5.802616e+08 0.00000 1 86.H;86.N 0 0 0
186 526.172 243.319 2.000 2.000 8.164 117.939 2867.411 1233.090 12.173 5.689 66.336 28.830 525 527 242 244 9.394832e+06 0.000000e+00 7.734672e+07 0.00000 1 131.H;131.N 0 0 0
187 778.140 267.739 2.000 2.000 6.448 116.412 4240.529 1356.845 5.555 4.599 30.273 23.307 777 779 266 268 1.401290e+07 0.000000e+00 1.079098e+08 0.00000 1 74.HE;74.NE 0 0 0
188 701.701 276.881 2.000 2.000 6.968 115.841 3823.969 1403.175 4.149 4.411 22.613 22.353 700 702 275 277 3.466756e+07 0.000000e+00 2.533670e+08 0.00000 1 14.HE;14.NE 0 0 0
189 744.248 278.790 2.000 2.000 6.679 115.722 4055.830 1412.846 4.258 4.422 23.206 22.411 743 745 277 279 3.154062e+07 0.000000e+00 2.315721e+08 0.00000 1 21.HE;21.NE 0 0 0
191 726.829 252.962 2.000 2.000 6.797 117.336 3960.901 1281.958 5.178 4.463 28.220 22.617 725 727 251 253 3.703790e+06 0.000000e+00 2.808957e+07 0.00000 1 68.HE;68.NE 0 0 0
192 651.917 270.989 2.000 2.000 7.307 116.209 3552.666 1373.313 3.985 4.360 21.714 22.093 650 652 269 271 3.802695e+07 0.000000e+00 2.760237e+08 0.00000 1 119.HE;119.NE 0 0 0
193 669.369 270.785 2.000 2.000 7.188 116.222 3647.773 1372.283 4.582 4.483 24.970 22.718 668 670 269 271 2.827983e+07 0.000000e+00 2.110489e+08 0.00000 1 54.HE;54.NE 0 0 0
194 667.556 258.807 2.000 2.000 7.201 116.971 3637.890 1311.577 5.966 4.818 32.512 24.418 666 668 257 259 2.914356e+07 0.000000e+00 2.260572e+08 0.00000 1 142.HE;142.NE 0 0 0
195 664.354 249.490 2.000 2.000 7.223 117.553 3620.444 1264.364 6.894 6.750 37.570 34.206 663 665 248 250 2.748346e+07 0.000000e+00 2.218905e+08 0.00000 1 36.HE;36.NE 0 0 0
196 785.109 468.510 2.000 2.000 6.400 103.866 4278.506 2374.308 14.098 14.951 76.826 75.769 784 786 467 469 5.916890e+06 0.000000e+00 5.143209e+07 0.00000 1 14.HH21;14.NH2 0 0 0
197 630.519 252.337 2.000 2.000 7.453 117.375 3436.055 1278.789 15.942 5.462 86.878 27.682 629 631 251 253 1.552203e+07 0.000000e+00 1.272145e+08 0.00000 1 127.HE;127.NE 0 0 0
198 661.110 258.289 2.000 2.000 7.245 117.003 3602.762 1308.953 16.837 5.391 91.754 27.319 660 662 257 259 1.212684e+07 0.000000e+00 1.001534e+08 0.00000 1 134.H;134.N 0 0 0
199 612.042 272.086 2.000 2.000 7.579 116.141 3335.362 1378.873 6.171 4.758 33.631 24.111 611 613 271 273 1.547166e+07 0.000000e+00 1.194640e+08 0.00000 1 56.HE;56.NE 0 0 0
200 713.882 287.809 2.000 2.000 6.885 115.158 3890.350 1458.556 5.826 4.897 31.752 24.817 712 714 286 288 3.551785e+07 0.000000e+00 2.771160e+08 0.00000 1 109.H;109.N 0 0 0
201 582.800 206.383 2.000 2.000 7.778 120.247 3176.008 1045.907 6.795 5.235 37.032 26.530 581 583 205 207 1.212373e+07 0.000000e+00 9.608925e+07 0.00000 1 161.HE;161.NE 0 0 0
202 390.408 194.326 2.000 2.000 9.088 121.000 2127.553 984.804 16.366 4.989 89.186 25.282 389 391 193 195 3.874638e+07 0.000000e+00 3.191861e+08 0.00000 1 162.H;162.N 0 0 0
203 454.755 178.313 2.000 2.000 8.650 122.001 2478.216 903.653 5.468 6.951 29.800 35.227 453 455 177 179 8.321163e+07 0.000000e+00 6.819923e+08 0.00000 1 85.H;85.N 0 0 0
204 613.230 337.315 2.000 2.000 7.571 112.064 3341.839 1709.443 10.712 4.776 58.376 24.204 612 614 336 338 2.776061e+07 0.000000e+00 2.271488e+08 0.00000 1 49.HE21;49.NE2 0 0 0
205 503.718 251.784 2.000 2.000 8.317 117.410 2745.044 1275.990 12.020 13.730 65.504 69.580 502 504 250 252 1.692513e+07 0.000000e+00 1.511246e+08 0.00000 1 17.HE;17.NE 0 0 0
206 550.040 244.999 2.000 2.000 8.001 117.834 2997.482 1241.601 9.157 9.717 49.903 49.243 549 551 243 245 2.022576e+07 0.000000e+00 1.669598e+08 0.00000 1 77.H;77.N 0 0 0
207 622.080 322.266 2.000 2.000 7.511 113.005 3390.066 1633.177 20.744 6.796 113.044 34.442 621 623 321 323 2.543967e+07 0.000000e+00 2.161177e+08 0.00000 1 80.HE;80.NE 0 0 0
208 423.478 184.275 2.000 2.000 8.863 121.628 2307.771 933.866 5.987 7.198 32.628 36.477 422 424 183 185 5.006412e+07 0.000000e+00 4.254218e+08 0.00000 1 127.H;127.N 0 0 0
209 539.187 287.383 2.000 2.000 8.075 115.185 2938.335 1456.396 6.411 4.651 34.937 23.570 538 540 286 288 1.030324e+08 0.000000e+00 8.247000e+08 0.00000 1 119.H;119.N 0 0 0
210 718.933 337.292 2.000 2.000 6.851 112.066 3917.876 1709.326 13.788 16.329 75.139 82.750 717 719 336 338 2.422308e+07 0.000000e+00 2.284157e+08 0.00000 1 49.HE22;49.NE2 0 0 0
211 457.983 228.755 2.000 2.000 8.628 118.849 2495.810 1159.282 9.542 4.918 52.001 24.924 456 458 227 229 3.689400e+07 0.000000e+00 3.068103e+08 0.00000 1 73.H;73.N 0 0 0
212 382.589 123.382 2.000 2.000 9.142 125.434 2084.946 625.274 7.545 4.966 41.114 25.166 381 383 122 124 1.894460e+07 0.000000e+00 1.516696e+08 0.00000 1 63.H;63.N 0 0 0
213 399.100 134.127 2.000 2.000 9.029 124.762 2174.920 679.728 7.060 6.408 38.473 32.474 398 400 133 135 1.473184e+07 0.000000e+00 1.207271e+08 0.00000 1 132.H;132.N 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 HN . 'not observed' 14 ppm . . . 4.76 . . 31080 5
2 . . N 15 N . 'not observed' 32 ppm . . . 117 . . 31080 5
stop_
save_