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 30899
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_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 13
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_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
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 HC
#INAME 2 H
#INAME 3 C
#SPECTRUM C13NOESY HC H C
350 3.860 8.571 63.860 2 U 5.000000E+01 0.000000E+00 - 0 0 0 0
91 1.508 3.099 27.299 2 U 6.100000E+01 0.000000E+00 - 0 0 0 0
62 1.482 4.492 27.240 2 U 6.100000E+01 0.000000E+00 - 0 0 0 0
290 3.095 7.979 46.597 2 U 6.700000E+01 0.000000E+00 - 0 0 0 0
65 1.482 0.549 27.240 2 U 9.400000E+01 0.000000E+00 - 0 0 0 0
90 1.508 3.135 27.299 2 U 9.900000E+01 0.000000E+00 - 0 0 0 0
460 0.881 8.882 26.260 2 U 1.030000E+02 0.000000E+00 - 0 0 0 0
777 5.253 5.253 45.460 2 U 1.040000E+02 0.000000E+00 - 0 0 0 0
61 1.482 0.760 27.240 2 U 1.050000E+02 0.000000E+00 - 0 0 0 0
279 1.370 0.910 26.530 2 U 1.080000E+02 0.000000E+00 - 0 0 0 0
160 0.727 1.543 23.914 2 U 1.160000E+02 0.000000E+00 - 0 0 0 0
743 1.359 0.760 43.300 2 U 1.180000E+02 0.000000E+00 - 0 0 0 0
379 3.135 1.942 43.167 2 U 1.230000E+02 0.000000E+00 - 0 0 0 0
415 0.866 8.514 21.018 2 U 1.340000E+02 0.000000E+00 - 0 0 0 0
273 1.370 0.890 26.530 2 U 1.360000E+02 0.000000E+00 - 0 0 0 0
466 0.881 4.314 26.260 2 U 1.380000E+02 0.000000E+00 - 0 0 0 0
623 3.170 1.622 43.711 2 U 1.380000E+02 0.000000E+00 - 0 0 0 0
192 3.693 4.329 51.388 2 U 1.410000E+02 0.000000E+00 - 0 0 0 0
163 0.727 1.961 23.914 2 U 1.410000E+02 0.000000E+00 - 0 0 0 0
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687 3.255 7.979 46.597 2 U 1.550000E+02 0.000000E+00 - 0 0 0 0
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573 1.482 4.492 43.300 2 U 1.550000E+02 0.000000E+00 - 0 0 0 0
68 1.942 4.657 33.039 2 U 1.580000E+02 0.000000E+00 - 0 0 0 0
299 1.714 3.135 33.039 2 U 1.640000E+02 0.000000E+00 - 0 0 0 0
397 1.347 7.979 18.531 2 U 1.650000E+02 0.000000E+00 - 0 0 0 0
538 1.622 1.800 27.240 2 U 1.670000E+02 0.000000E+00 - 0 0 0 0
240 1.656 3.070 32.267 2 U 1.670000E+02 0.000000E+00 - 0 0 0 0
72 1.942 3.135 33.039 2 U 1.690000E+02 0.000000E+00 - 0 0 0 0
464 0.881 1.872 26.260 2 U 1.700000E+02 0.000000E+00 - 0 0 0 0
284 4.251 4.251 59.651 2 U 1.700000E+02 0.000000E+00 - 0 0 0 0
440 3.771 7.763 51.388 2 U 1.710000E+02 0.000000E+00 - 0 0 0 0
696 0.910 8.076 24.990 2 U 1.720000E+02 0.000000E+00 - 0 0 0 0
133 3.013 7.066 37.386 2 U 1.740000E+02 0.000000E+00 - 0 0 0 0
681 3.758 2.187 50.490 2 U 1.760000E+02 0.000000E+00 - 0 0 0 0
483 3.099 7.966 43.167 2 U 1.760000E+02 0.000000E+00 - 0 0 0 0
485 3.099 1.942 43.167 2 U 1.830000E+02 0.000000E+00 - 0 0 0 0
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712 3.974 3.185 55.547 2 U 1.830000E+02 0.000000E+00 - 0 0 0 0
292 3.095 9.727 46.597 2 U 1.870000E+02 0.000000E+00 - 0 0 0 0
239 1.656 9.312 32.267 2 U 1.870000E+02 0.000000E+00 - 0 0 0 0
301 1.714 3.099 33.039 2 U 1.870000E+02 0.000000E+00 - 0 0 0 0
452 1.237 4.253 43.375 2 U 1.890000E+02 0.000000E+00 - 0 0 0 0
744 1.359 4.492 43.300 2 U 1.900000E+02 0.000000E+00 - 0 0 0 0
327 3.070 1.800 43.440 2 U 1.920000E+02 0.000000E+00 - 0 0 0 0
449 1.237 0.727 43.375 2 U 1.930000E+02 0.000000E+00 - 0 0 0 0
358 3.896 4.251 62.048 2 U 1.940000E+02 0.000000E+00 - 0 0 0 0
745 1.359 8.065 43.300 2 U 1.950000E+02 0.000000E+00 - 0 0 0 0
74 1.942 3.099 33.039 2 U 1.960000E+02 0.000000E+00 - 0 0 0 0
654 1.011 8.882 26.260 2 U 2.000000E+02 0.000000E+00 - 0 0 0 0
611 0.549 1.359 52.341 2 U 2.020000E+02 0.000000E+00 - 0 0 0 0
337 2.931 4.521 42.401 2 U 2.040000E+02 0.000000E+00 - 0 0 0 0
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345 5.354 4.521 56.447 2 U 2.050000E+02 0.000000E+00 - 0 0 0 0
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150 4.158 3.099 56.570 2 U 2.140000E+02 0.000000E+00 - 0 0 0 0
132 3.013 4.231 37.386 2 U 2.140000E+02 0.000000E+00 - 0 0 0 0
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119 1.800 3.070 32.267 2 U 2.200000E+02 0.000000E+00 - 0 0 0 0
520 4.366 7.095 56.107 2 U 2.200000E+02 0.000000E+00 - 0 0 0 0
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412 0.866 8.300 21.018 2 U 2.470000E+02 0.000000E+00 - 0 0 0 0
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647 1.551 3.099 27.299 2 U 6.080000E+02 0.000000E+00 - 0 0 0 0
193 3.693 1.935 51.388 2 U 6.090000E+02 0.000000E+00 - 0 0 0 0
458 4.194 3.997 59.854 2 U 6.160000E+02 0.000000E+00 - 0 0 0 0
700 0.910 1.302 24.990 2 U 6.610000E+02 0.000000E+00 - 0 0 0 0
568 3.739 4.462 45.437 2 U 6.680000E+02 0.000000E+00 - 0 0 0 0
164 0.727 1.237 23.914 2 U 6.680000E+02 0.000000E+00 - 0 0 0 0
630 4.001 8.514 62.514 2 U 6.740000E+02 0.000000E+00 - 0 0 0 0
731 1.935 3.771 27.257 2 U 6.810000E+02 0.000000E+00 - 0 0 0 0
314 1.558 1.859 27.257 2 U 6.930000E+02 0.000000E+00 - 0 0 0 0
501 0.771 1.872 48.348 2 U 6.950000E+02 0.000000E+00 - 0 0 0 0
503 0.771 4.314 48.348 2 U 7.030000E+02 0.000000E+00 - 0 0 0 0
528 2.886 4.906 41.834 2 U 7.040000E+02 0.000000E+00 - 0 0 0 0
442 3.771 1.856 51.388 2 U 7.070000E+02 0.000000E+00 - 0 0 0 0
414 0.866 1.922 21.018 2 U 7.130000E+02 0.000000E+00 - 0 0 0 0
444 3.771 1.883 51.388 2 U 7.190000E+02 0.000000E+00 - 0 0 0 0
77 2.770 4.906 41.834 2 U 7.330000E+02 0.000000E+00 - 0 0 0 0
727 1.935 3.693 27.257 2 U 7.600000E+02 0.000000E+00 - 0 0 0 0
492 3.997 3.740 62.533 2 U 7.600000E+02 0.000000E+00 - 0 0 0 0
188 3.693 1.856 51.388 2 U 7.640000E+02 0.000000E+00 - 0 0 0 0
190 3.693 1.883 51.388 2 U 7.690000E+02 0.000000E+00 - 0 0 0 0
439 3.771 4.906 51.388 2 U 7.730000E+02 0.000000E+00 - 0 0 0 0
636 4.329 2.181 63.587 2 U 7.820000E+02 0.000000E+00 - 0 0 0 0
89 1.508 1.714 27.299 2 U 8.080000E+02 0.000000E+00 - 0 0 0 0
186 3.693 4.906 51.388 2 U 8.210000E+02 0.000000E+00 - 0 0 0 0
702 1.544 1.800 27.240 2 U 8.250000E+02 0.000000E+00 - 0 0 0 0
400 1.347 4.344 18.531 2 U 8.260000E+02 0.000000E+00 - 0 0 0 0
402 4.427 8.076 54.438 2 U 8.530000E+02 0.000000E+00 - 0 0 0 0
297 1.714 1.508 33.039 2 U 8.550000E+02 0.000000E+00 - 0 0 0 0
166 0.727 1.303 23.914 2 U 8.810000E+02 0.000000E+00 - 0 0 0 0
167 0.760 1.482 53.474 2 U 8.830000E+02 0.000000E+00 - 0 0 0 0
171 0.760 1.482 53.474 2 U 8.830000E+02 0.000000E+00 - 0 0 0 0
655 1.011 0.675 26.260 2 U 9.440000E+02 0.000000E+00 - 0 0 0 0
296 1.714 1.942 33.039 2 U 1.020000E+03 0.000000E+00 - 0 0 0 0
306 3.740 3.997 62.533 2 U 1.030000E+03 0.000000E+00 - 0 0 0 0
318 3.801 4.255 44.997 2 U 1.040000E+03 0.000000E+00 - 0 0 0 0
570 3.739 4.007 45.437 2 U 1.100000E+03 0.000000E+00 - 0 0 0 0
461 0.881 0.675 26.260 2 U 1.120000E+03 0.000000E+00 - 0 0 0 0
375 1.502 1.302 44.431 2 U 1.120000E+03 0.000000E+00 - 0 0 0 0
281 3.705 8.367 47.182 2 U 1.130000E+03 0.000000E+00 - 0 0 0 0
4 0.890 1.502 24.750 2 U 1.140000E+03 0.000000E+00 - 0 0 0 0
278 1.370 1.302 26.530 2 U 1.150000E+03 0.000000E+00 - 0 0 0 0
71 1.942 1.714 33.039 2 U 1.170000E+03 0.000000E+00 - 0 0 0 0
729 1.935 2.181 27.257 2 U 1.170000E+03 0.000000E+00 - 0 0 0 0
282 3.705 8.473 47.182 2 U 1.180000E+03 0.000000E+00 - 0 0 0 0
100 0.675 1.011 14.521 2 U 1.200000E+03 0.000000E+00 - 0 0 0 0
173 0.760 1.359 53.474 2 U 1.270000E+03 0.000000E+00 - 0 0 0 0
717 3.974 3.974 55.547 2 U 1.280000E+03 0.000000E+00 - 0 0 0 0
236 4.255 3.801 44.997 2 U 1.300000E+03 0.000000E+00 - 0 0 0 0
275 1.370 1.370 26.530 2 U 1.330000E+03 0.000000E+00 - 0 0 0 0
436 1.961 2.187 27.335 2 U 1.390000E+03 0.000000E+00 - 0 0 0 0
303 1.714 1.551 33.039 2 U 1.400000E+03 0.000000E+00 - 0 0 0 0
597 4.007 3.739 45.437 2 U 1.410000E+03 0.000000E+00 - 0 0 0 0
673 1.302 1.502 44.431 2 U 1.460000E+03 0.000000E+00 - 0 0 0 0
184 2.817 2.599 41.587 2 U 1.520000E+03 0.000000E+00 - 0 0 0 0
359 3.896 3.896 62.048 2 U 1.570000E+03 0.000000E+00 - 0 0 0 0
686 3.255 3.095 46.597 2 U 1.570000E+03 0.000000E+00 - 0 0 0 0
657 1.011 0.771 26.260 2 U 1.570000E+03 0.000000E+00 - 0 0 0 0
33 3.355 3.758 50.490 2 U 1.630000E+03 0.000000E+00 - 0 0 0 0
663 3.131 2.692 40.374 2 U 1.640000E+03 0.000000E+00 - 0 0 0 0
82 2.899 3.094 48.045 2 U 1.700000E+03 0.000000E+00 - 0 0 0 0
180 2.817 2.817 41.587 2 U 1.730000E+03 0.000000E+00 - 0 0 0 0
677 3.758 3.355 50.490 2 U 1.740000E+03 0.000000E+00 - 0 0 0 0
753 1.855 2.187 32.535 2 U 1.740000E+03 0.000000E+00 - 0 0 0 0
217 1.856 2.181 32.457 2 U 1.740000E+03 0.000000E+00 - 0 0 0 0
124 1.800 1.544 32.267 2 U 1.790000E+03 0.000000E+00 - 0 0 0 0
177 2.618 2.774 39.751 2 U 1.820000E+03 0.000000E+00 - 0 0 0 0
419 2.774 2.618 39.751 2 U 1.860000E+03 0.000000E+00 - 0 0 0 0
237 1.656 1.800 32.267 2 U 1.900000E+03 0.000000E+00 - 0 0 0 0
245 1.656 1.544 32.267 2 U 1.900000E+03 0.000000E+00 - 0 0 0 0
600 2.821 3.013 37.386 2 U 1.940000E+03 0.000000E+00 - 0 0 0 0
135 3.013 2.821 37.386 2 U 1.950000E+03 0.000000E+00 - 0 0 0 0
151 4.158 4.158 56.570 2 U 1.950000E+03 0.000000E+00 - 0 0 0 0
689 3.255 3.255 46.597 2 U 1.960000E+03 0.000000E+00 - 0 0 0 0
172 0.760 0.549 53.474 2 U 2.040000E+03 0.000000E+00 - 0 0 0 0
463 0.881 0.771 26.260 2 U 2.040000E+03 0.000000E+00 - 0 0 0 0
66 1.482 1.359 27.240 2 U 2.040000E+03 0.000000E+00 - 0 0 0 0
293 3.095 3.255 46.597 2 U 2.050000E+03 0.000000E+00 - 0 0 0 0
457 4.194 4.194 59.854 2 U 2.090000E+03 0.000000E+00 - 0 0 0 0
372 1.502 1.370 44.431 2 U 2.110000E+03 0.000000E+00 - 0 0 0 0
672 1.302 1.370 44.431 2 U 2.230000E+03 0.000000E+00 - 0 0 0 0
760 3.778 3.934 44.766 2 U 2.240000E+03 0.000000E+00 - 0 0 0 0
664 3.131 3.131 40.374 2 U 2.250000E+03 0.000000E+00 - 0 0 0 0
480 3.094 3.094 48.045 2 U 2.300000E+03 0.000000E+00 - 0 0 0 0
465 0.881 1.011 26.260 2 U 2.330000E+03 0.000000E+00 - 0 0 0 0
289 3.095 3.095 46.597 2 U 2.340000E+03 0.000000E+00 - 0 0 0 0
675 1.302 1.302 44.431 2 U 2.370000E+03 0.000000E+00 - 0 0 0 0
421 2.774 2.774 39.751 2 U 2.390000E+03 0.000000E+00 - 0 0 0 0
304 3.740 3.740 62.533 2 U 2.480000E+03 0.000000E+00 - 0 0 0 0
343 5.354 5.354 56.447 2 U 2.490000E+03 0.000000E+00 - 0 0 0 0
131 3.013 3.013 37.386 2 U 2.560000E+03 0.000000E+00 - 0 0 0 0
604 2.821 2.821 37.386 2 U 2.560000E+03 0.000000E+00 - 0 0 0 0
592 1.859 1.859 32.011 2 U 2.630000E+03 0.000000E+00 - 0 0 0 0
79 2.770 2.886 41.834 2 U 2.660000E+03 0.000000E+00 - 0 0 0 0
97 0.675 0.881 14.521 2 U 2.670000E+03 0.000000E+00 - 0 0 0 0
478 3.094 2.899 48.045 2 U 2.670000E+03 0.000000E+00 - 0 0 0 0
78 2.770 2.770 41.834 2 U 2.690000E+03 0.000000E+00 - 0 0 0 0
323 4.231 4.231 57.713 2 U 2.740000E+03 0.000000E+00 - 0 0 0 0
122 1.800 1.622 32.267 2 U 2.800000E+03 0.000000E+00 - 0 0 0 0
243 1.656 1.622 32.267 2 U 2.920000E+03 0.000000E+00 - 0 0 0 0
422 3.934 3.934 44.766 2 U 2.930000E+03 0.000000E+00 - 0 0 0 0
298 1.714 1.714 33.039 2 U 2.970000E+03 0.000000E+00 - 0 0 0 0
424 3.934 3.778 44.766 2 U 3.030000E+03 0.000000E+00 - 0 0 0 0
373 1.502 1.502 44.431 2 U 3.030000E+03 0.000000E+00 - 0 0 0 0
583 1.872 1.872 41.448 2 U 3.040000E+03 0.000000E+00 - 0 0 0 0
238 1.656 1.656 32.267 2 U 3.070000E+03 0.000000E+00 - 0 0 0 0
81 2.899 2.899 48.045 2 U 3.070000E+03 0.000000E+00 - 0 0 0 0
117 1.800 1.656 32.267 2 U 3.140000E+03 0.000000E+00 - 0 0 0 0
742 1.359 1.482 43.300 2 U 3.140000E+03 0.000000E+00 - 0 0 0 0
656 1.011 0.881 26.260 2 U 3.220000E+03 0.000000E+00 - 0 0 0 0
462 0.881 0.881 26.260 2 U 3.250000E+03 0.000000E+00 - 0 0 0 0
64 1.482 1.482 27.240 2 U 3.270000E+03 0.000000E+00 - 0 0 0 0
455 1.237 1.303 43.375 2 U 3.280000E+03 0.000000E+00 - 0 0 0 0
235 4.255 4.255 44.997 2 U 3.340000E+03 0.000000E+00 - 0 0 0 0
453 1.237 1.237 43.375 2 U 3.340000E+03 0.000000E+00 - 0 0 0 0
28 3.355 3.355 50.490 2 U 3.370000E+03 0.000000E+00 - 0 0 0 0
529 2.886 2.770 41.834 2 U 3.470000E+03 0.000000E+00 - 0 0 0 0
549 2.187 1.961 32.535 2 U 3.490000E+03 0.000000E+00 - 0 0 0 0
272 2.181 1.935 32.457 2 U 3.490000E+03 0.000000E+00 - 0 0 0 0
683 3.758 3.758 50.490 2 U 3.510000E+03 0.000000E+00 - 0 0 0 0
762 3.778 3.778 44.766 2 U 3.530000E+03 0.000000E+00 - 0 0 0 0
659 1.011 1.011 26.260 2 U 3.550000E+03 0.000000E+00 - 0 0 0 0
136 4.038 4.038 59.253 2 U 3.660000E+03 0.000000E+00 - 0 0 0 0
405 4.427 4.427 54.438 2 U 3.730000E+03 0.000000E+00 - 0 0 0 0
269 2.181 1.883 32.457 2 U 3.750000E+03 0.000000E+00 - 0 0 0 0
267 2.181 1.856 32.457 2 U 3.760000E+03 0.000000E+00 - 0 0 0 0
552 2.187 1.855 32.535 2 U 3.760000E+03 0.000000E+00 - 0 0 0 0
530 2.886 2.886 41.834 2 U 3.820000E+03 0.000000E+00 - 0 0 0 0
767 1.303 1.237 43.375 2 U 3.960000E+03 0.000000E+00 - 0 0 0 0
210 4.462 4.462 59.404 2 U 3.970000E+03 0.000000E+00 - 0 0 0 0
769 1.303 1.303 43.375 2 U 3.990000E+03 0.000000E+00 - 0 0 0 0
428 4.253 4.253 54.849 2 U 4.110000E+03 0.000000E+00 - 0 0 0 0
116 1.800 1.800 32.267 2 U 4.130000E+03 0.000000E+00 - 0 0 0 0
577 1.482 1.359 43.300 2 U 4.220000E+03 0.000000E+00 - 0 0 0 0
93 1.508 1.551 27.299 2 U 4.290000E+03 0.000000E+00 - 0 0 0 0
539 1.622 1.656 27.240 2 U 4.330000E+03 0.000000E+00 - 0 0 0 0
598 4.007 4.007 45.437 2 U 4.350000E+03 0.000000E+00 - 0 0 0 0
575 1.482 1.482 43.300 2 U 4.370000E+03 0.000000E+00 - 0 0 0 0
546 1.622 1.544 27.240 2 U 4.520000E+03 0.000000E+00 - 0 0 0 0
232 4.338 4.338 52.085 2 U 4.530000E+03 0.000000E+00 - 0 0 0 0
788 4.344 4.344 51.947 2 U 4.560000E+03 0.000000E+00 - 0 0 0 0
748 1.359 1.359 43.300 2 U 4.590000E+03 0.000000E+00 - 0 0 0 0
785 4.314 4.314 58.962 2 U 4.650000E+03 0.000000E+00 - 0 0 0 0
645 1.551 1.714 27.299 2 U 4.670000E+03 0.000000E+00 - 0 0 0 0
69 1.942 1.942 33.039 2 U 4.790000E+03 0.000000E+00 - 0 0 0 0
563 1.622 1.622 27.257 2 U 4.860000E+03 0.000000E+00 - 0 0 0 0
544 1.622 1.622 27.240 2 U 4.860000E+03 0.000000E+00 - 0 0 0 0
561 1.622 1.558 27.257 2 U 4.960000E+03 0.000000E+00 - 0 0 0 0
191 3.693 3.771 51.388 2 U 5.000000E+03 0.000000E+00 - 0 0 0 0
88 1.508 1.508 27.299 2 U 5.020000E+03 0.000000E+00 - 0 0 0 0
569 3.739 3.739 45.437 2 U 5.090000E+03 0.000000E+00 - 0 0 0 0
369 1.883 1.935 27.257 2 U 5.150000E+03 0.000000E+00 - 0 0 0 0
445 3.771 3.771 51.388 2 U 5.320000E+03 0.000000E+00 - 0 0 0 0
319 3.801 3.801 44.997 2 U 5.340000E+03 0.000000E+00 - 0 0 0 0
441 3.771 3.693 51.388 2 U 5.830000E+03 0.000000E+00 - 0 0 0 0
364 1.883 1.856 27.257 2 U 5.890000E+03 0.000000E+00 - 0 0 0 0
494 3.997 3.997 62.533 2 U 5.980000E+03 0.000000E+00 - 0 0 0 0
751 1.855 1.961 32.535 2 U 6.010000E+03 0.000000E+00 - 0 0 0 0
221 1.856 1.935 32.457 2 U 6.010000E+03 0.000000E+00 - 0 0 0 0
366 1.883 1.883 27.257 2 U 6.010000E+03 0.000000E+00 - 0 0 0 0
518 4.366 4.366 56.107 2 U 6.110000E+03 0.000000E+00 - 0 0 0 0
187 3.693 3.693 51.388 2 U 6.140000E+03 0.000000E+00 - 0 0 0 0
473 1.922 1.922 32.882 2 U 6.310000E+03 0.000000E+00 - 0 0 0 0
639 4.329 4.329 63.587 2 U 6.500000E+03 0.000000E+00 - 0 0 0 0
631 4.001 4.001 62.514 2 U 6.790000E+03 0.000000E+00 - 0 0 0 0
758 3.799 3.860 64.290 2 U 7.220000E+03 0.000000E+00 - 0 0 0 0
693 3.860 3.860 64.290 2 U 7.630000E+03 0.000000E+00 - 0 0 0 0
268 2.181 2.181 32.457 2 U 7.780000E+03 0.000000E+00 - 0 0 0 0
550 2.187 2.187 32.535 2 U 7.780000E+03 0.000000E+00 - 0 0 0 0
666 0.780 0.866 48.339 2 U 7.900000E+03 0.000000E+00 - 0 0 0 0
694 3.860 3.799 64.290 2 U 8.060000E+03 0.000000E+00 - 0 0 0 0
625 3.170 3.170 43.711 2 U 8.260000E+03 0.000000E+00 - 0 0 0 0
759 3.799 3.799 64.290 2 U 8.320000E+03 0.000000E+00 - 0 0 0 0
703 1.544 1.656 27.240 2 U 8.550000E+03 0.000000E+00 - 0 0 0 0
610 0.549 0.549 52.341 2 U 8.670000E+03 0.000000E+00 - 0 0 0 0
218 1.856 1.883 32.457 2 U 8.830000E+03 0.000000E+00 - 0 0 0 0
619 3.170 3.099 43.711 2 U 9.060000E+03 0.000000E+00 - 0 0 0 0
755 1.855 1.855 32.535 2 U 9.660000E+03 0.000000E+00 - 0 0 0 0
216 1.856 1.856 32.457 2 U 9.660000E+03 0.000000E+00 - 0 0 0 0
331 3.070 3.134 43.440 2 U 1.010000E+04 0.000000E+00 - 0 0 0 0
499 0.771 0.881 48.348 2 U 1.050000E+04 0.000000E+00 - 0 0 0 0
280 3.705 3.705 47.182 2 U 1.050000E+04 0.000000E+00 - 0 0 0 0
708 1.544 1.622 27.240 2 U 1.090000E+04 0.000000E+00 - 0 0 0 0
438 1.961 1.855 27.335 2 U 1.150000E+04 0.000000E+00 - 0 0 0 0
728 1.935 1.856 27.257 2 U 1.150000E+04 0.000000E+00 - 0 0 0 0
348 3.860 3.860 63.860 2 U 1.160000E+04 0.000000E+00 - 0 0 0 0
313 1.558 1.622 27.257 2 U 1.190000E+04 0.000000E+00 - 0 0 0 0
733 1.935 1.935 27.257 2 U 1.200000E+04 0.000000E+00 - 0 0 0 0
330 3.070 3.070 43.440 2 U 1.200000E+04 0.000000E+00 - 0 0 0 0
109 3.099 3.170 43.711 2 U 1.240000E+04 0.000000E+00 - 0 0 0 0
730 1.935 1.883 27.257 2 U 1.250000E+04 0.000000E+00 - 0 0 0 0
468 3.801 3.860 63.860 2 U 1.250000E+04 0.000000E+00 - 0 0 0 0
349 3.860 3.801 63.860 2 U 1.280000E+04 0.000000E+00 - 0 0 0 0
195 1.543 1.543 27.316 2 U 1.280000E+04 0.000000E+00 - 0 0 0 0
435 1.961 1.961 27.335 2 U 1.340000E+04 0.000000E+00 - 0 0 0 0
488 3.099 3.135 43.167 2 U 1.440000E+04 0.000000E+00 - 0 0 0 0
336 2.931 2.931 42.401 2 U 1.440000E+04 0.000000E+00 - 0 0 0 0
711 1.544 1.544 27.240 2 U 1.450000E+04 0.000000E+00 - 0 0 0 0
644 1.551 1.508 27.299 2 U 1.470000E+04 0.000000E+00 - 0 0 0 0
489 3.099 3.099 43.167 2 U 1.490000E+04 0.000000E+00 - 0 0 0 0
469 3.801 3.801 63.860 2 U 1.500000E+04 0.000000E+00 - 0 0 0 0
649 1.551 1.551 27.299 2 U 1.510000E+04 0.000000E+00 - 0 0 0 0
311 1.558 1.558 27.257 2 U 1.510000E+04 0.000000E+00 - 0 0 0 0
382 3.135 3.135 43.167 2 U 1.620000E+04 0.000000E+00 - 0 0 0 0
383 3.135 3.099 43.167 2 U 1.630000E+04 0.000000E+00 - 0 0 0 0
669 0.780 0.780 20.971 2 U 1.830000E+04 0.000000E+00 - 0 0 0 0
507 3.134 3.070 43.440 2 U 1.860000E+04 0.000000E+00 - 0 0 0 0
103 3.099 3.099 43.711 2 U 1.870000E+04 0.000000E+00 - 0 0 0 0
98 0.675 0.771 14.521 2 U 1.870000E+04 0.000000E+00 - 0 0 0 0
497 0.771 0.675 48.348 2 U 2.020000E+04 0.000000E+00 - 0 0 0 0
508 3.134 3.134 43.440 2 U 2.060000E+04 0.000000E+00 - 0 0 0 0
500 0.771 0.771 48.348 2 U 2.440000E+04 0.000000E+00 - 0 0 0 0
398 1.347 1.347 18.531 2 U 2.520000E+04 0.000000E+00 - 0 0 0 0
161 0.727 0.758 23.914 2 U 2.670000E+04 0.000000E+00 - 0 0 0 0
159 0.727 0.727 23.914 2 U 2.970000E+04 0.000000E+00 - 0 0 0 0
417 0.866 0.780 21.018 2 U 3.070000E+04 0.000000E+00 - 0 0 0 0
96 0.675 0.675 14.521 2 U 3.180000E+04 0.000000E+00 - 0 0 0 0
168 0.760 0.760 53.474 2 U 3.680000E+04 0.000000E+00 - 0 0 0 0
413 0.866 0.866 21.018 2 U 4.340000E+04 0.000000E+00 - 0 0 0 0
701 0.910 0.910 24.990 2 U 4.390000E+04 0.000000E+00 - 0 0 0 0
695 0.910 0.890 24.990 2 U 4.520000E+04 0.000000E+00 - 0 0 0 0
223 0.758 0.727 25.455 2 U 4.950000E+04 0.000000E+00 - 0 0 0 0
7 0.890 0.910 24.750 2 U 5.240000E+04 0.000000E+00 - 0 0 0 0
225 0.758 0.758 25.455 2 U 5.360000E+04 0.000000E+00 - 0 0 0 0
1 0.890 0.890 24.750 2 U 5.450000E+04 0.000000E+00 - 0 0 0 0
901 3.860 9.027 63.860 2 U 3.720000E+02 0.000000E+00 - 0 0 0 0
903 3.131 7.875 40.374 2 U 2.260000E+02 0.000000E+00 - 0 0 0 0
906 3.170 0.723 43.711 2 U 2.190000E+02 0.000000E+00 - 0 0 0 0
907 3.099 0.745 43.711 2 U 3.060000E+02 0.000000E+00 - 0 0 0 0
910 0.910 3.723 24.990 2 U 2.920000E+02 0.000000E+00 - 0 0 0 0
911 0.910 3.353 24.990 2 U 2.890000E+02 0.000000E+00 - 0 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 . . 14.0261 ppm . . . 4.701 . . 30899 1
2 . . C 13 C . folded 28.2107 ppm . . . 43.00 . . 30899 1
3 . . H 1 H . . 14.0261 ppm . . . 4.701 . . 30899 1
stop_
save_