Content for NMR-STAR saveframe, "spectral_peak_list_3"
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 31044
_Spectral_peak_list.ID 3
_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 7
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic'
_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 C
#INAME 3 H
#SPECTRUM C13NOESY HC C H
#TOLERANCE 0.0200 0.5000 0.0300
4 6.306 132.519 7.023 1 T 3.993e+02 0.00e+00 a 0 0 0 0 0
5 6.306 132.519 6.994 1 T 3.993e+02 0.00e+00 a 0 0 0 0 0
13 6.630 132.940 9.002 1 T 3.888e+02 0.00e+00 a 0 0 0 0 0
15 6.630 132.940 8.570 1 T 3.244e+02 0.00e+00 a 0 0 0 0 0
16 6.630 132.940 8.371 1 T 1.828e+02 0.00e+00 a 0 0 0 0 0
23 6.630 132.940 4.945 1 T 7.716e+02 0.00e+00 a 0 0 0 0 0
25 6.630 132.940 3.091 1 T 1.091e+03 0.00e+00 a 0 0 0 0 0
26 6.630 132.940 2.832 1 T 1.142e+03 0.00e+00 a 0 0 0 0 0
27 6.630 132.940 1.559 1 T 8.874e+02 0.00e+00 a 0 0 0 0 0
28 6.630 132.940 0.930 1 T 1.142e+03 0.00e+00 a 0 0 0 0 0
29 6.630 132.940 0.180 1 T 3.603e+02 0.00e+00 a 0 0 0 0 0
30 7.552 133.017 9.832 1 T 3.066e+02 0.00e+00 a 0 0 0 0 0
31 7.552 133.117 9.795 1 T 3.594e+02 0.00e+00 a 0 0 0 0 0
32 7.552 133.117 9.021 1 T 8.252e+02 0.00e+00 a 0 0 0 0 0
34 7.552 133.117 6.975 1 T 1.166e+03 0.00e+00 a 0 0 0 0 0
35 7.540 132.830 6.483 1 T 2.909e+02 0.00e+00 a 0 0 0 0 0
36 7.552 133.117 6.440 1 T 3.698e+02 0.00e+00 a 0 0 0 0 0
37 7.555 132.890 5.465 1 T 2.086e+02 0.00e+00 a 0 0 0 0 0
38 7.550 133.116 5.051 1 T 3.591e+02 0.00e+00 a 0 0 0 0 0
39 7.552 133.117 3.349 1 T 7.132e+02 0.00e+00 a 0 0 0 0 0
40 7.553 133.040 2.660 1 T 2.741e+02 0.00e+00 a 0 0 0 0 0
41 7.552 133.117 1.907 1 T 3.207e+02 0.00e+00 a 0 0 0 0 0
42 7.552 133.117 1.252 1 T 9.052e+02 0.00e+00 a 0 0 0 0 0
43 7.561 133.193 0.835 1 T 3.450e+02 0.00e+00 a 0 0 0 0 0
44 7.556 133.234 0.336 1 T 3.750e+02 0.00e+00 a 0 0 0 0 0
48 7.543 126.349 9.855 1 T 1.282e+03 0.00e+00 a 0 0 0 0 0
49 7.543 126.349 9.440 1 T 3.304e+02 0.00e+00 a 0 0 0 0 0
54 7.543 126.349 3.595 1 T 2.978e+02 0.00e+00 a 0 0 0 0 0
56 7.543 126.349 3.390 1 T 2.863e+02 0.00e+00 a 0 0 0 0 0
57 7.543 126.349 3.012 1 T 2.245e+02 0.00e+00 a 0 0 0 0 0
58 7.526 126.517 2.669 1 T 4.732e+02 0.00e+00 a 0 0 0 0 0
59 7.543 126.349 2.679 1 T 8.493e+02 0.00e+00 a 0 0 0 0 0
60 7.543 126.349 2.382 1 T 5.126e+02 0.00e+00 a 0 0 0 0 0
62 7.543 126.349 -0.042 1 T 3.294e+02 0.00e+00 a 0 0 0 0 0
78 6.412 129.919 7.011 1 T 9.745e+02 0.00e+00 a 0 0 0 0 0
85 7.009 132.063 8.971 1 T 5.945e+02 0.00e+00 a 0 0 0 0 0
86 7.011 131.983 7.512 1 T 7.462e+02 0.00e+00 a 0 0 0 0 0
88 7.009 132.063 6.441 1 T 1.410e+03 0.00e+00 a 0 0 0 0 0
89 7.009 132.063 6.053 1 T 3.913e+02 0.00e+00 a 0 0 0 0 0
91 7.009 132.063 5.386 1 T 7.343e+02 0.00e+00 a 0 0 0 0 0
92 7.008 132.173 4.405 1 T 4.347e+02 0.00e+00 a 0 0 0 0 0
93 7.009 132.063 4.456 1 T 5.845e+02 0.00e+00 a 0 0 0 0 0
95 7.009 132.063 2.579 1 T 7.429e+02 0.00e+00 a 0 0 0 0 0
96 7.009 132.063 2.294 1 T 7.977e+02 0.00e+00 a 0 0 0 0 0
98 7.005 132.153 1.238 1 T 3.787e+02 0.00e+00 a 0 0 0 0 0
100 7.009 132.063 0.360 1 T 2.396e+02 0.00e+00 a 0 0 0 0 0
106 7.163 132.482 5.372 1 T 7.526e+02 0.00e+00 a 0 0 0 0 0
107 7.163 132.482 4.705 1 T 2.285e+02 0.00e+00 a 0 0 0 0 0
111 7.169 132.684 3.280 1 T 6.183e+02 0.00e+00 a 0 0 0 0 0
112 7.163 132.482 2.964 1 T 1.381e+03 0.00e+00 a 0 0 0 0 0
113 7.163 132.482 1.366 1 T 8.943e+02 0.00e+00 a 0 0 0 0 0
115 6.437 122.735 7.302 1 T 1.100e+03 0.00e+00 a 0 0 0 0 0
116 6.438 122.629 7.275 1 T 1.027e+03 0.00e+00 a 0 0 0 0 0
118 6.439 122.559 6.001 1 T 7.336e+02 0.00e+00 a 0 0 0 0 0
120 6.437 122.735 2.547 1 T 3.833e+02 0.00e+00 a 0 0 0 0 0
123 6.437 122.735 0.820 1 T 7.072e+02 0.00e+00 a 0 0 0 0 0
124 6.434 122.506 0.785 1 T 4.808e+02 0.00e+00 a 0 0 0 0 0
127 7.255 132.729 4.231 1 T 3.071e+02 0.00e+00 a 0 0 0 0 0
128 7.255 132.729 3.304 1 T 2.855e+02 0.00e+00 a 0 0 0 0 0
133 7.141 126.395 10.331 1 T 9.750e+02 0.00e+00 a 0 0 0 0 0
134 7.141 126.395 8.914 1 T 2.257e+02 0.00e+00 a 0 0 0 0 0
139 7.141 126.395 3.207 1 T 3.544e+02 0.00e+00 a 0 0 0 0 0
140 7.141 126.395 2.797 1 T 3.541e+02 0.00e+00 a 0 0 0 0 0
142 7.141 126.395 2.121 1 T 8.199e+02 0.00e+00 a 0 0 0 0 0
144 7.141 126.395 0.470 1 T 4.568e+02 0.00e+00 a 0 0 0 0 0
146 6.989 126.278 9.960 1 T 1.788e+03 0.00e+00 a 0 0 0 0 0
147 6.989 126.278 9.188 1 T 3.801e+02 0.00e+00 a 0 0 0 0 0
148 7.002 126.112 8.809 1 T 2.207e+02 0.00e+00 a 0 0 0 0 0
154 6.991 126.426 5.134 1 T 2.462e+02 0.00e+00 a 0 0 0 0 0
155 7.003 126.263 4.024 1 T 3.178e+02 0.00e+00 a 0 0 0 0 0
156 6.989 126.278 3.946 1 T 3.969e+02 0.00e+00 a 0 0 0 0 0
157 6.989 126.278 3.067 1 T 3.151e+02 0.00e+00 a 0 0 0 0 0
158 6.989 126.278 2.876 1 T 2.487e+02 0.00e+00 a 0 0 0 0 0
159 6.989 126.278 1.965 1 T 3.164e+02 0.00e+00 a 0 0 0 0 0
160 6.989 126.278 1.248 1 T 1.032e+03 0.00e+00 a 0 0 0 0 0
162 6.755 132.794 8.964 1 T 2.969e+02 0.00e+00 a 0 0 0 0 0
163 6.756 132.864 8.461 1 T 5.808e+02 0.00e+00 a 0 0 0 0 0
168 6.756 132.864 5.184 1 T 5.678e+02 0.00e+00 a 0 0 0 0 0
169 6.756 132.864 4.793 1 T 7.701e+02 0.00e+00 a 0 0 0 0 0
171 6.756 132.864 2.829 1 T 8.982e+02 0.00e+00 a 0 0 0 0 0
172 6.756 132.864 2.496 1 T 7.707e+02 0.00e+00 a 0 0 0 0 0
173 6.756 132.864 2.018 1 T 4.166e+02 0.00e+00 a 0 0 0 0 0
174 6.755 132.794 2.007 1 T 3.900e+02 0.00e+00 a 0 0 0 0 0
178 6.799 128.951 3.510 1 T 6.693e+02 0.00e+00 a 0 0 0 0 0
181 6.789 128.746 1.385 1 T 5.172e+02 0.00e+00 a 0 0 0 0 0
182 6.797 128.872 0.874 1 T 1.314e+03 0.00e+00 a 0 0 0 0 0
185 6.801 128.620 0.073 1 T 4.535e+02 0.00e+00 a 0 0 0 0 0
190 6.805 122.928 10.473 1 T 1.206e+03 0.00e+00 a 0 0 0 0 0
191 6.805 122.903 9.436 1 T 3.131e+02 0.00e+00 a 0 0 0 0 0
193 6.805 122.928 6.362 1 T 3.583e+02 0.00e+00 a 0 0 0 0 0
194 6.805 122.779 6.376 1 T 3.605e+02 0.00e+00 a 0 0 0 0 0
195 6.807 122.841 4.897 1 T 1.050e+03 0.00e+00 a 0 0 0 0 0
197 6.805 122.838 2.892 1 T 5.735e+02 0.00e+00 a 0 0 0 0 0
199 6.806 122.798 1.108 1 T 1.542e+03 0.00e+00 a 0 0 0 0 0
202 5.932 127.797 9.742 1 T 2.936e+02 0.00e+00 a 0 0 0 0 0
215 7.414 131.525 4.283 1 T 6.218e+02 0.00e+00 a 0 0 0 0 0
217 7.411 131.684 0.175 1 T 2.658e+02 0.00e+00 a 0 0 0 0 0
220 6.511 118.231 9.261 1 T 9.876e+02 0.00e+00 a 0 0 0 0 0
221 6.511 118.231 8.371 1 T 9.348e+02 0.00e+00 a 0 0 0 0 0
222 6.511 118.231 7.983 1 T 6.074e+02 0.00e+00 a 0 0 0 0 0
225 6.511 118.231 7.087 1 T 4.931e+03 0.00e+00 a 0 0 0 0 0
231 6.508 118.115 5.429 1 T 2.577e+02 0.00e+00 a 0 0 0 0 0
232 6.511 118.231 4.774 1 T 1.005e+03 0.00e+00 a 0 0 0 0 0
233 6.511 118.231 4.381 1 T 5.752e+02 0.00e+00 a 0 0 0 0 0
234 6.511 118.231 3.933 1 T 3.094e+02 0.00e+00 a 0 0 0 0 0
236 6.511 118.231 3.086 1 T 3.085e+02 0.00e+00 a 0 0 0 0 0
237 6.514 118.130 2.881 1 T 3.540e+02 0.00e+00 a 0 0 0 0 0
238 6.511 118.231 2.779 1 T 5.408e+02 0.00e+00 a 0 0 0 0 0
239 6.510 118.323 2.058 1 T 1.965e+03 0.00e+00 a 0 0 0 0 0
240 6.509 118.316 1.794 1 T 1.067e+03 0.00e+00 a 0 0 0 0 0
241 6.514 118.345 1.427 1 T 5.491e+02 0.00e+00 a 0 0 0 0 0
242 6.511 118.231 0.978 1 T 2.773e+03 0.00e+00 a 0 0 0 0 0
243 6.511 118.231 0.612 1 T 1.334e+03 0.00e+00 a 0 0 0 0 0
244 6.511 118.231 0.260 1 T 1.342e+03 0.00e+00 a 0 0 0 0 0
247 6.490 123.409 6.855 1 T 6.877e+02 0.00e+00 a 0 0 0 0 0
251 6.490 123.410 2.220 1 T 2.688e+02 0.00e+00 a 0 0 0 0 0
252 6.490 123.410 1.841 1 T 3.184e+02 0.00e+00 a 0 0 0 0 0
259 7.406 130.784 7.021 1 T 3.448e+03 0.00e+00 a 0 0 0 0 0
260 7.406 130.784 5.399 1 T 2.602e+02 0.00e+00 a 0 0 0 0 0
263 7.406 130.784 3.907 1 T 2.742e+02 0.00e+00 a 0 0 0 0 0
265 7.406 130.784 1.904 1 T 6.107e+02 0.00e+00 a 0 0 0 0 0
266 7.406 130.784 1.273 1 T 2.252e+03 0.00e+00 a 0 0 0 0 0
267 7.406 130.784 0.688 1 T 4.455e+02 0.00e+00 a 0 0 0 0 0
268 7.406 130.784 0.247 1 T 5.930e+02 0.00e+00 a 0 0 0 0 0
271 6.913 133.261 9.471 1 T 5.026e+02 0.00e+00 a 0 0 0 0 0
273 6.913 133.261 8.722 1 T 3.573e+02 0.00e+00 a 0 0 0 0 0
275 6.913 133.261 7.651 1 T 3.248e+02 0.00e+00 a 0 0 0 0 0
280 6.913 133.261 4.898 1 T 1.189e+03 0.00e+00 a 0 0 0 0 0
281 6.913 133.261 4.593 1 T 3.478e+02 0.00e+00 a 0 0 0 0 0
282 6.913 133.261 3.902 1 T 1.047e+03 0.00e+00 a 0 0 0 0 0
284 6.913 133.261 2.937 1 T 1.664e+03 0.00e+00 a 0 0 0 0 0
285 6.913 133.261 1.926 1 T 7.126e+02 0.00e+00 a 0 0 0 0 0
292 6.756 118.383 8.455 1 T 4.652e+02 0.00e+00 a 0 0 0 0 0
293 6.754 118.121 8.444 1 T 3.184e+02 0.00e+00 a 0 0 0 0 0
304 6.748 118.310 5.149 1 T 6.692e+02 0.00e+00 a 0 0 0 0 0
307 6.742 118.232 3.976 1 T 8.389e+02 0.00e+00 a 0 0 0 0 0
308 6.742 118.232 3.332 1 T 6.955e+02 0.00e+00 a 0 0 0 0 0
309 6.742 118.232 2.806 1 T 1.400e+03 0.00e+00 a 0 0 0 0 0
310 6.743 118.324 1.977 1 T 1.502e+03 0.00e+00 a 0 0 0 0 0
312 6.742 118.232 0.872 1 T 1.123e+03 0.00e+00 a 0 0 0 0 0
313 7.086 133.798 9.468 1 T 4.645e+02 0.00e+00 a 0 0 0 0 0
314 7.084 133.940 8.337 1 T 2.092e+02 0.00e+00 a 0 0 0 0 0
322 7.086 133.798 6.506 1 T 3.944e+03 0.00e+00 a 0 0 0 0 0
325 7.086 133.798 5.428 1 T 9.823e+02 0.00e+00 a 0 0 0 0 0
326 7.086 133.798 5.032 1 T 3.599e+02 0.00e+00 a 0 0 0 0 0
327 7.086 133.798 4.767 1 T 3.757e+02 0.00e+00 a 0 0 0 0 0
328 7.087 133.723 4.303 1 T 5.394e+02 0.00e+00 a 0 0 0 0 0
330 7.086 133.798 4.262 1 T 5.282e+02 0.00e+00 a 0 0 0 0 0
331 7.086 133.798 3.043 1 T 1.039e+03 0.00e+00 a 0 0 0 0 0
332 7.086 133.798 2.680 1 T 1.147e+03 0.00e+00 a 0 0 0 0 0
333 7.086 133.798 2.002 1 T 5.862e+02 0.00e+00 a 0 0 0 0 0
334 7.086 133.798 1.537 1 T 8.585e+02 0.00e+00 a 0 0 0 0 0
336 7.086 133.798 0.652 1 T 8.356e+02 0.00e+00 a 0 0 0 0 0
337 7.086 133.798 0.309 1 T 7.426e+02 0.00e+00 a 0 0 0 0 0
338 7.067 128.489 7.427 1 T 1.870e+03 0.00e+00 a 0 0 0 0 0
346 7.063 128.326 1.512 1 T 2.859e+02 0.00e+00 a 0 0 0 0 0
347 7.064 128.422 1.261 1 T 5.124e+02 0.00e+00 a 0 0 0 0 0
349 7.060 128.431 0.098 1 T 6.727e+02 0.00e+00 a 0 0 0 0 0
351 6.519 121.966 7.302 1 T 5.823e+02 0.00e+00 a 0 0 0 0 0
352 6.517 121.779 7.271 1 T 3.833e+02 0.00e+00 a 0 0 0 0 0
362 6.517 129.710 6.940 1 T 1.064e+03 0.00e+00 a 0 0 0 0 0
366 6.501 129.542 1.506 1 T 3.970e+02 0.00e+00 a 0 0 0 0 0
373 7.130 129.456 6.735 1 T 7.232e+02 0.00e+00 a 0 0 0 0 0
374 7.142 129.637 6.163 1 T 2.809e+02 0.00e+00 a 0 0 0 0 0
378 7.130 129.456 1.413 1 T 1.022e+03 0.00e+00 a 0 0 0 0 0
380 7.130 129.456 0.355 1 T 7.453e+02 0.00e+00 a 0 0 0 0 0
381 6.210 130.786 7.545 1 T 3.034e+02 0.00e+00 a 0 0 0 0 0
382 6.212 130.986 6.487 1 T 1.129e+03 0.00e+00 a 0 0 0 0 0
384 6.210 130.786 4.788 1 T 1.744e+03 0.00e+00 a 0 0 0 0 0
385 6.210 130.786 3.273 1 T 5.084e+02 0.00e+00 a 0 0 0 0 0
386 6.210 130.786 2.848 1 T 5.233e+02 0.00e+00 a 0 0 0 0 0
389 6.210 130.786 1.192 1 T 9.715e+02 0.00e+00 a 0 0 0 0 0
390 6.213 130.954 0.293 1 T 2.489e+02 0.00e+00 a 0 0 0 0 0
391 6.210 130.786 0.292 1 T 3.347e+02 0.00e+00 a 0 0 0 0 0
446 7.165 120.064 3.141 1 T 1.107e+03 0.00e+00 a 0 0 0 0 0
448 7.154 120.022 1.042 1 T 8.134e+02 0.00e+00 a 0 0 0 0 0
450 7.165 120.079 0.587 1 T 4.569e+02 0.00e+00 a 0 0 0 0 0
503 7.108 119.729 3.138 1 T 6.805e+02 0.00e+00 a 0 0 0 0 0
508 6.882 127.287 6.384 1 T 3.895e+02 0.00e+00 a 0 0 0 0 0
511 6.880 127.166 3.960 1 T 4.501e+02 0.00e+00 a 0 0 0 0 0
513 6.884 127.212 1.473 1 T 6.239e+02 0.00e+00 a 0 0 0 0 0
514 6.883 127.137 1.238 1 T 8.346e+02 0.00e+00 a 0 0 0 0 0
515 6.881 127.178 0.106 1 T 6.067e+02 0.00e+00 a 0 0 0 0 0
518 6.693 122.931 7.145 1 T 5.172e+02 0.00e+00 a 0 0 0 0 0
521 6.693 122.931 6.155 1 T 5.186e+02 0.00e+00 a 0 0 0 0 0
525 6.693 122.931 1.379 1 T 8.257e+02 0.00e+00 a 0 0 0 0 0
526 6.690 123.052 1.363 1 T 6.721e+02 0.00e+00 a 0 0 0 0 0
527 6.700 123.040 0.316 1 T 3.191e+02 0.00e+00 a 0 0 0 0 0
528 5.486 121.545 9.335 1 T 3.083e+02 0.00e+00 a 0 0 0 0 0
531 5.502 121.448 8.974 1 T 1.392e+03 0.00e+00 a 0 0 0 0 0
536 5.500 121.347 5.070 1 T 4.851e+02 0.00e+00 a 0 0 0 0 0
543 5.500 121.334 0.945 1 T 7.497e+02 0.00e+00 a 0 0 0 0 0
544 5.496 121.501 0.256 1 T 7.309e+02 0.00e+00 a 0 0 0 0 0
547 6.314 114.408 9.862 1 T 2.995e+02 0.00e+00 a 0 0 0 0 0
549 6.314 114.408 7.239 1 T 1.085e+03 0.00e+00 a 0 0 0 0 0
561 6.314 114.408 0.358 1 T 4.484e+02 0.00e+00 a 0 0 0 0 0
564 7.242 125.967 6.392 1 T 7.222e+02 0.00e+00 a 0 0 0 0 0
565 7.235 125.959 5.962 1 T 3.025e+02 0.00e+00 a 0 0 0 0 0
568 7.242 126.149 0.823 1 T 3.555e+02 0.00e+00 a 0 0 0 0 0
577 6.154 114.246 7.140 1 T 7.003e+02 0.00e+00 a 0 0 0 0 0
578 6.154 114.246 6.693 1 T 1.025e+03 0.00e+00 a 0 0 0 0 0
583 6.154 114.246 0.965 1 T 2.379e+02 0.00e+00 a 0 0 0 0 0
584 6.154 114.493 0.527 1 T 4.564e+02 0.00e+00 a 0 0 0 0 0
585 6.154 114.246 0.524 1 T 5.889e+02 0.00e+00 a 0 0 0 0 0
588 6.856 113.618 9.962 1 T 4.458e+02 0.00e+00 a 0 0 0 0 0
593 6.856 113.618 6.488 1 T 8.855e+02 0.00e+00 a 0 0 0 0 0
595 6.856 113.618 3.196 1 T 2.013e+02 0.00e+00 a 0 0 0 0 0
600 6.081 115.868 10.473 1 T 4.912e+02 0.00e+00 a 0 0 0 0 0
602 6.081 115.868 7.001 1 T 3.035e+02 0.00e+00 a 0 0 0 0 0
603 6.066 115.747 6.914 1 T 2.228e+02 0.00e+00 a 0 0 0 0 0
604 6.081 115.868 6.438 1 T 4.178e+02 0.00e+00 a 0 0 0 0 0
605 6.081 115.868 6.362 1 T 4.144e+02 0.00e+00 a 0 0 0 0 0
609 6.081 115.868 0.321 1 T 2.536e+02 0.00e+00 a 0 0 0 0 0
613 7.302 119.702 6.414 1 T 8.035e+02 0.00e+00 a 0 0 0 0 0
615 7.301 119.719 2.940 1 T 5.360e+02 0.00e+00 a 0 0 0 0 0
616 7.308 119.724 2.618 1 T 3.439e+02 0.00e+00 a 0 0 0 0 0
617 7.302 119.493 2.135 1 T 3.285e+02 0.00e+00 a 0 0 0 0 0
622 5.968 125.258 7.302 1 T 3.042e+02 0.00e+00 a 0 0 0 0 0
623 5.987 124.915 7.255 1 T 2.993e+02 0.00e+00 a 0 0 0 0 0
624 5.967 125.149 6.425 1 T 7.775e+02 0.00e+00 a 0 0 0 0 0
634 7.023 130.957 7.412 1 T 6.113e+02 0.00e+00 a 0 0 0 0 0
636 7.016 131.115 6.374 1 T 8.713e+02 0.00e+00 a 0 0 0 0 0
637 7.023 130.957 3.904 1 T 4.564e+02 0.00e+00 a 0 0 0 0 0
638 7.023 130.957 2.105 1 T 6.818e+02 0.00e+00 a 0 0 0 0 0
640 7.023 131.046 1.371 1 T 6.725e+02 0.00e+00 a 0 0 0 0 0
641 7.012 131.077 1.269 1 T 8.756e+02 0.00e+00 a 0 0 0 0 0
642 7.023 130.957 0.446 1 T 4.760e+02 0.00e+00 a 0 0 0 0 0
643 7.040 130.870 0.427 1 T 5.000e+02 0.00e+00 a 0 0 0 0 0
644 7.023 130.957 0.079 1 T 4.203e+02 0.00e+00 a 0 0 0 0 0
649 6.872 128.899 1.718 1 T 4.565e+02 0.00e+00 a 0 0 0 0 0
651 6.874 128.880 1.049 1 T 1.720e+03 0.00e+00 a 0 0 0 0 0
652 6.867 128.986 0.814 1 T 4.523e+02 0.00e+00 a 0 0 0 0 0
653 6.875 128.836 0.403 1 T 5.961e+02 0.00e+00 a 0 0 0 0 0
654 6.873 128.803 0.101 1 T 3.772e+02 0.00e+00 a 0 0 0 0 0
781 7.388 120.608 4.772 1 T 8.778e+02 0.00e+00 a 0 0 0 0 0
786 7.363 120.193 1.868 1 T 5.918e+02 0.00e+00 a 0 0 0 0 0
798 6.945 119.120 4.774 1 T 4.640e+02 0.00e+00 a 0 0 0 0 0
801 6.943 119.437 4.129 1 T 4.393e+02 0.00e+00 a 0 0 0 0 0
803 6.951 119.385 3.513 1 T 3.203e+02 0.00e+00 a 0 0 0 0 0
804 6.951 119.385 3.207 1 T 2.539e+02 0.00e+00 a 0 0 0 0 0
835 5.761 129.110 6.425 1 T 6.719e+02 0.00e+00 a 0 0 0 0 0
852 6.806 121.289 5.009 1 T 2.853e+02 0.00e+00 a 0 0 0 0 0
853 6.809 121.066 5.048 1 T 2.606e+02 0.00e+00 a 0 0 0 0 0
855 6.806 121.289 1.376 1 T 8.696e+02 0.00e+00 a 0 0 0 0 0
856 6.810 121.197 1.369 1 T 6.256e+02 0.00e+00 a 0 0 0 0 0
858 6.378 121.344 6.949 1 T 3.224e+02 0.00e+00 a 0 0 0 0 0
863 6.105 117.580 8.308 1 T 3.783e+02 0.00e+00 a 0 0 0 0 0
864 6.097 117.713 6.369 1 T 5.709e+02 0.00e+00 a 0 0 0 0 0
877 5.513 116.936 8.703 1 T 1.140e+03 0.00e+00 a 0 0 0 0 0
881 5.518 116.816 3.982 1 T 5.917e+02 0.00e+00 a 0 0 0 0 0
887 5.404 114.974 9.012 1 T 6.408e+02 0.00e+00 a 0 0 0 0 0
896 5.396 115.066 1.590 1 T 5.319e+02 0.00e+00 a 0 0 0 0 0
917 7.055 130.619 1.078 1 T 1.220e+03 0.00e+00 a 0 0 0 0 0
921 7.552 133.117 3.156 1 T 6.742e+02 0.00e+00 a 0 0 0 0 0
922 7.552 133.117 7.407 1 T 3.675e+03 0.00e+00 a 0 0 0 0 0
923 7.552 133.117 7.067 1 T 9.958e+02 0.00e+00 a 0 0 0 0 0
924 7.552 133.117 2.689 1 T 3.569e+02 0.00e+00 a 0 0 0 0 0
925 7.552 133.117 2.329 1 T 3.145e+02 0.00e+00 a 0 0 0 0 0
926 7.552 133.117 0.802 1 T 3.567e+02 0.00e+00 a 0 0 0 0 0
927 7.552 133.117 0.257 1 T 3.929e+02 0.00e+00 a 0 0 0 0 0
928 7.063 128.326 7.400 1 T 1.907e+03 0.00e+00 a 0 0 0 0 0
929 7.063 128.326 7.552 1 T 1.675e+02 0.00e+00 a 0 0 0 0 0
930 7.063 128.326 0.167 1 T 8.794e+02 0.00e+00 a 0 0 0 0 0
931 7.063 128.326 0.684 1 T 3.162e+02 0.00e+00 a 0 0 0 0 0
932 7.063 128.326 1.245 1 T 5.084e+02 0.00e+00 a 0 0 0 0 0
933 6.742 118.232 1.977 1 T 1.547e+03 0.00e+00 a 0 0 0 0 0
935 6.913 133.261 2.806 1 T 1.553e+03 0.00e+00 a 0 0 0 0 0
936 6.742 118.232 2.585 1 T 8.443e+02 0.00e+00 a 0 0 0 0 0
937 6.742 118.232 2.938 1 T 5.134e+02 0.00e+00 a 0 0 0 0 0
938 6.913 133.261 0.826 1 T 4.119e+02 0.00e+00 a 0 0 0 0 0
939 6.742 118.232 0.764 1 T 1.153e+03 0.00e+00 a 0 0 0 0 0
941 7.165 120.079 3.244 1 T 6.338e+02 0.00e+00 a 0 0 0 0 0
942 6.970 114.298 2.055 1 T 3.817e+02 0.00e+00 a 0 0 0 0 0
943 6.856 113.618 3.065 1 T 2.113e+02 0.00e+00 a 0 0 0 0 0
944 6.856 113.618 2.237 1 T 5.195e+02 0.00e+00 a 0 0 0 0 0
945 6.856 113.618 1.865 1 T 3.080e+02 0.00e+00 a 0 0 0 0 0
946 6.989 126.278 5.238 1 T 2.810e+02 0.00e+00 a 0 0 0 0 0
948 7.412 131.684 4.237 1 T 7.566e+02 0.00e+00 a 0 0 0 0 0
949 7.023 130.957 6.302 1 T 9.416e+02 0.00e+00 a 0 0 0 0 0
950 6.306 132.519 3.176 1 T 2.431e+02 0.00e+00 a 0 0 0 0 0
951 6.306 132.519 2.915 1 T 3.531e+02 0.00e+00 a 0 0 0 0 0
952 7.412 131.684 2.915 1 T 2.268e+02 0.00e+00 a 0 0 0 0 0
953 7.412 131.684 4.149 1 T 4.966e+02 0.00e+00 a 0 0 0 0 0
954 7.023 130.957 1.299 1 T 6.903e+02 0.00e+00 a 0 0 0 0 0
955 7.412 131.684 1.299 1 T 3.839e+02 0.00e+00 a 0 0 0 0 0
956 7.412 131.684 0.778 1 T 3.617e+02 0.00e+00 a 0 0 0 0 0
957 7.023 130.957 2.278 1 T 4.947e+02 0.00e+00 a 0 0 0 0 0
958 6.756 132.864 3.211 1 T 4.532e+02 0.00e+00 a 0 0 0 0 0
959 7.163 132.482 3.337 1 T 9.469e+02 0.00e+00 a 0 0 0 0 0
960 7.163 132.482 5.419 1 T 7.526e+02 0.00e+00 a 0 0 0 0 0
961 5.768 113.527 9.043 1 T 1.039e+03 0.00e+00 a 0 0 0 0 0
962 6.755 132.794 3.238 1 T 4.968e+02 0.00e+00 a 0 0 0 0 0
963 6.755 132.794 2.543 1 T 5.770e+02 0.00e+00 a 0 0 0 0 0
964 6.755 132.794 2.699 1 T 5.116e+02 0.00e+00 a 0 0 0 0 0
965 6.755 132.794 4.793 1 T 7.608e+02 0.00e+00 a 0 0 0 0 0
966 6.755 132.794 5.234 1 T 6.678e+02 0.00e+00 a 0 0 0 0 0
967 6.755 132.794 8.425 1 T 6.584e+02 0.00e+00 a 0 0 0 0 0
968 6.755 132.794 0.880 1 T 3.106e+02 0.00e+00 a 0 0 0 0 0
969 6.756 118.383 3.239 1 T 4.730e+02 0.00e+00 a 0 0 0 0 0
970 6.756 118.383 2.701 1 T 1.269e+03 0.00e+00 a 0 0 0 0 0
971 6.756 118.383 2.544 1 T 6.937e+02 0.00e+00 a 0 0 0 0 0
973 6.756 118.383 5.194 1 T 6.575e+02 0.00e+00 a 0 0 0 0 0
974 6.756 118.383 0.853 1 T 1.076e+03 0.00e+00 a 0 0 0 0 0
975 6.511 118.231 2.680 1 T 5.677e+02 0.00e+00 a 0 0 0 0 0
976 6.511 118.231 3.047 1 T 3.154e+02 0.00e+00 a 0 0 0 0 0
977 6.511 118.231 1.398 1 T 6.011e+02 0.00e+00 a 0 0 0 0 0
978 6.511 118.231 1.677 1 T 8.171e+02 0.00e+00 a 0 0 0 0 0
979 6.511 118.231 2.058 1 T 2.038e+03 0.00e+00 a 0 0 0 0 0
980 6.306 132.519 4.237 1 T 3.635e+02 0.00e+00 a 0 0 0 0 0
981 6.755 132.794 2.831 1 T 9.083e+02 0.00e+00 a 0 0 0 0 0
982 6.755 132.794 2.461 1 T 7.381e+02 0.00e+00 a 0 0 0 0 0
983 6.755 118.360 3.976 1 T 7.103e+02 0.00e+00 a 0 0 0 0 0
984 6.755 118.360 3.348 1 T 5.446e+02 0.00e+00 a 0 0 0 0 0
985 6.210 130.786 6.515 1 T 6.425e+02 0.00e+00 a 0 0 0 0 0
986 6.210 130.786 1.230 1 T 8.280e+02 0.00e+00 a 0 0 0 0 0
987 6.511 118.231 4.893 1 T 8.530e+02 0.00e+00 a 0 0 0 0 0
988 6.630 132.940 4.893 1 T 5.883e+02 0.00e+00 a 0 0 0 0 0
989 6.630 132.940 0.765 1 T 7.175e+02 0.00e+00 a 0 0 0 0 0
990 5.761 128.999 6.412 1 T 8.559e+02 0.00e+00 a 0 0 0 0 0
991 7.009 132.063 7.525 1 T 7.761e+02 0.00e+00 a 0 0 0 0 0
992 7.009 132.063 1.176 1 T 4.337e+02 0.00e+00 a 0 0 0 0 0
994 7.055 130.619 0.402 1 T 5.432e+02 0.00e+00 a 0 0 0 0 0
995 5.966 125.037 6.362 1 T 8.281e+02 0.00e+00 a 0 0 0 0 0
996 6.805 122.928 4.916 1 T 9.377e+02 0.00e+00 a 0 0 0 0 0
997 6.805 122.928 2.990 1 T 3.410e+02 0.00e+00 a 0 0 0 0 0
998 6.805 122.928 2.907 1 T 5.006e+02 0.00e+00 a 0 0 0 0 0
999 6.805 122.928 1.085 1 T 1.444e+03 0.00e+00 a 0 0 0 0 0
1000 6.805 122.928 1.277 1 T 9.584e+02 0.00e+00 a 0 0 0 0 0
1001 6.805 122.928 1.458 1 T 6.220e+02 0.00e+00 a 0 0 0 0 0
1002 5.966 125.037 7.243 1 T 4.945e+02 0.00e+00 a 0 0 0 0 0
1003 6.854 119.021 3.196 1 T 2.426e+02 0.00e+00 a 0 0 0 0 0
1005 6.437 122.735 6.080 1 T 6.200e+02 0.00e+00 a 0 0 0 0 0
1006 6.437 122.735 5.968 1 T 6.206e+02 0.00e+00 a 0 0 0 0 0
1007 5.966 125.037 6.434 1 T 8.212e+02 0.00e+00 a 0 0 0 0 0
1008 7.163 132.482 0.564 1 T 2.957e+02 0.00e+00 a 0 0 0 0 0
1009 7.163 132.482 0.211 1 T 2.932e+02 0.00e+00 a 0 0 0 0 0
1010 7.055 130.619 6.426 1 T 4.064e+02 0.00e+00 a 0 0 0 0 0
1011 6.742 118.232 4.915 1 T 7.142e+02 0.00e+00 a 0 0 0 0 0
1012 7.551 133.116 8.956 1 T 7.529e+02 0.00e+00 a 0 0 0 0 0
1013 7.009 132.063 8.379 1 T 2.536e+02 0.00e+00 a 0 0 0 0 0
1015 6.154 114.246 10.331 1 T 5.694e+02 0.00e+00 a 0 0 0 0 0
1016 6.154 114.246 10.360 1 T 4.115e+02 0.00e+00 a 0 0 0 0 0
1017 7.141 126.395 10.360 1 T 8.420e+02 0.00e+00 a 0 0 0 0 0
1018 6.693 122.931 0.362 1 T 3.109e+02 0.00e+00 a 0 0 0 0 0
1019 6.806 121.289 6.155 1 T 1.721e+02 0.00e+00 a 0 0 0 0 0
1020 6.154 114.246 2.099 1 T 2.822e+02 0.00e+00 a 0 0 0 0 0
1021 7.141 126.395 3.511 1 T 2.371e+02 0.00e+00 a 0 0 0 0 0
1022 7.141 126.395 4.290 1 T 2.264e+02 0.00e+00 a 0 0 0 0 0
1023 7.141 126.395 4.764 1 T 1.457e+02 0.00e+00 a 0 0 0 0 0
1024 7.141 126.395 -0.623 1 T 2.548e+02 0.00e+00 a 0 0 0 0 0
1025 6.154 114.246 6.806 1 T 7.656e+02 0.00e+00 a 0 0 0 0 0
1027 6.951 119.385 6.350 1 T 3.719e+02 0.00e+00 a 0 0 0 0 0
1028 6.951 119.385 4.767 1 T 4.092e+02 0.00e+00 a 0 0 0 0 0
1029 6.951 119.385 4.158 1 T 4.484e+02 0.00e+00 a 0 0 0 0 0
1030 6.951 119.385 2.796 1 T 3.377e+02 0.00e+00 a 0 0 0 0 0
1031 7.302 119.493 2.875 1 T 4.409e+02 0.00e+00 a 0 0 0 0 0
1032 7.302 119.493 3.068 1 T 2.172e+02 0.00e+00 a 0 0 0 0 0
1033 7.302 119.493 2.578 1 T 4.028e+02 0.00e+00 a 0 0 0 0 0
1034 6.490 123.409 6.989 1 T 3.114e+02 0.00e+00 a 0 0 0 0 0
1035 7.302 119.493 6.489 1 T 7.412e+02 0.00e+00 a 0 0 0 0 0
1036 7.302 119.493 6.519 1 T 3.346e+02 0.00e+00 a 0 0 0 0 0
1037 7.302 119.493 6.403 1 T 6.817e+02 0.00e+00 a 0 0 0 0 0
1038 7.302 119.493 0.769 1 T 3.774e+02 0.00e+00 a 0 0 0 0 0
1039 7.255 132.729 3.066 1 T 1.881e+02 0.00e+00 a 0 0 0 0 0
1040 7.240 126.070 6.312 1 T 5.488e+02 0.00e+00 a 0 0 0 0 0
1041 7.240 126.070 6.500 1 T 5.942e+02 0.00e+00 a 0 0 0 0 0
1042 6.314 114.408 5.839 1 T 3.214e+02 0.00e+00 a 0 0 0 0 0
1043 7.240 126.070 0.791 1 T 4.018e+02 0.00e+00 a 0 0 0 0 0
1044 6.756 132.864 2.750 1 T 7.159e+02 0.00e+00 a 0 0 0 0 0
1047 6.856 113.618 1.909 1 T 2.907e+02 0.00e+00 a 0 0 0 0 0
1048 7.141 126.395 0.410 1 T 4.037e+02 0.00e+00 a 0 0 0 0 0
1049 7.141 126.395 0.501 1 T 3.383e+02 0.00e+00 a 0 0 0 0 0
1050 6.154 114.246 0.463 1 T 5.384e+02 0.00e+00 a 0 0 0 0 0
1051 6.154 114.246 0.407 1 T 4.001e+02 0.00e+00 a 0 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 . 'not observed' 16.434 ppm . . . 4.771 . . 31044 3
2 . . C 13 C-aromatic . 'not observed' 30.011 ppm . . . 125.5 . . 31044 3
3 . . H 1 H . 'not observed' 13.289 ppm . . . 4.771 . . 31044 3
stop_
save_