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 36447
_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 5
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 H
#INAME 2 HC
#INAME 3 C
# NMR peak file from UNIO
# UNIO version 2.0.3
# File format : xeasy
# File generated: 2020 February 15th, 15:04:59
#ATNOSCANDIDKIND hHC
#ATNOSCANDIDTYPE noesy_aromatic
1 3.054 7.058 133.169 1 U 9.765E+02 1.360E+02 e 0 209 211 213 #VC 1.00000 #SUP 5.21
2 8.878 7.063 132.815 1 U 4.634E+02 1.360E+02 e 0 155 211 213 #VC 1.00000 #SUP 4.00
3 8.657 7.057 132.777 1 U 4.207E+02 1.607E+02 e 0 217 211 213 #VC 1.00000 #SUP 6.97
4 6.600 7.058 132.767 1 U 4.245E+03 1.805E+02 e 0 214 211 213 #VC 1.00000 #SUP 3.44
5 4.143 7.056 132.762 1 U 1.915E+03 1.606E+02 e 0 208 211 213 #VC 1.00000 #SUP 5.35
6 3.055 7.058 132.751 1 U 1.320E+03 1.641E+02 e 0 209 211 213 #VC 1.00000 #SUP 5.21
7 2.868 7.056 132.782 1 U 8.442E+02 1.554E+02 e 0 210 211 213 #VC 1.00000 #SUP 6.17
8 1.605 7.058 132.762 1 U 2.881E+03 1.594E+02 e 0 157 211 213 #VC 1.00000 #SUP 5.41
9 3.389 7.048 132.792 1 U 4.264E+02 1.361E+02 e 0 156 211 213 #VC 1.00000 #SUP 1.50
10 4.612 7.268 131.657 1 U 8.042E+02 1.530E+02 e 0 251 254 256 #VC 1.00000 #SUP 3.20
11 3.241 7.269 131.652 1 U 1.202E+03 1.592E+02 e 0 253 254 256 #VC 1.00000 #SUP 2.79
12 3.235 7.248 131.662 1 U 1.165E+03 1.631E+02 e 0 253 254 256 #VC 1.00000 #SUP 2.79
13 2.888 7.089 131.622 1 U 5.907E+02 1.418E+02 e 0 31 32 34 #VC 1.00000 #SUP 3.63
14 3.014 7.268 131.583 1 U 6.644E+02 1.360E+02 e 0 252 254 256 #VC 1.00000 #SUP 2.44
15 4.123 7.091 131.543 1 U 9.047E+02 1.360E+02 e 0 29 32 34 #VC 1.00000 #SUP 4.30
16 4.124 7.089 131.375 1 U 8.477E+02 1.460E+02 e 0 29 32 34 #VC 1.00000 #SUP 4.30
17 4.385 6.995 130.693 1 U 7.479E+02 1.694E+02 e 0 314 317 319 #VC 1.00000 #SUP 2.12
18 0.941 6.991 130.698 1 U 9.002E+02 1.681E+02 e 0 369 317 319 #VC 1.00000 #SUP 4.18
19 0.602 6.992 130.688 1 U 1.634E+03 1.758E+02 e 0 349 317 319 #VC 1.00000 #SUP 4.96
20 3.482 6.989 130.688 1 U 1.104E+03 1.694E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
21 1.489 6.990 130.672 1 U 1.769E+03 1.594E+02 e 0 371 317 319 #VC 1.00000 #SUP 1.80
22 1.078 6.989 130.662 1 U 1.748E+03 1.667E+02 e 0 346 317 319 #VC 1.00000 #SUP 3.94
23 4.393 7.007 129.578 1 U 1.426E+03 1.777E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
24 3.840 7.006 129.619 1 U 3.298E+02 1.533E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
25 1.502 7.006 129.568 1 U 1.442E+03 1.502E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
26 0.940 7.007 129.553 1 U 1.160E+03 1.533E+02 e 0 369 320 321 #VC 1.00000 #SUP 2.03
27 0.602 7.007 129.578 1 U 3.175E+03 1.517E+02 e 0 349 320 321 #VC 1.00000 #SUP 3.30
28 9.202 7.003 129.578 1 U 3.268E+02 1.383E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
29 1.070 7.002 129.553 1 U 1.203E+03 1.435E+02 e 0 346 320 321 #VC 1.00000 #SUP 2.82
30 3.491 7.008 129.525 1 U 4.743E+02 1.562E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
31 4.449 7.529 127.405 1 U 1.116E+03 1.360E+02 e 0 147 150 151 #VC 1.00000 #SUP 3.15
32 3.866 7.531 127.385 1 U 4.220E+02 1.360E+02 e 0 149 150 151 #VC 1.00000 #SUP 3.08
33 3.521 7.529 127.415 1 U 1.200E+03 1.360E+02 e 0 148 150 151 #VC 1.00000 #SUP 2.74
34 0.600 7.525 127.374 1 U 5.931E+02 1.360E+02 e 0 167 150 151 #VC 1.00000 #SUP 1.27
35 7.049 6.605 118.203 1 U 3.678E+03 1.544E+02 e 0 211 214 216 #VC 1.00000 #SUP 3.44
36 2.885 6.607 117.860 1 U 4.255E+02 1.360E+02 e 0 210 214 216 #VC 1.00000 #SUP 3.84
37 1.627 6.605 117.823 1 U 3.492E+03 1.390E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
38 0.396 6.608 117.824 1 U 1.135E+03 1.394E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
39 7.051 6.605 117.812 1 U 5.623E+03 1.360E+02 e 0 211 214 216 #VC 1.00000 #SUP 3.44
40 2.581 6.608 117.806 1 U 5.378E+02 1.360E+02 e 0 186 214 216 #VC 1.00000 #SUP 0.75
41 0.814 6.604 117.786 1 U 5.585E+02 1.360E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
42 3.073 6.599 117.817 1 U 7.020E+02 1.450E+02 e 0 209 214 216 #VC 1.00000 #SUP 3.27
43 1.344 6.602 117.812 1 U 8.456E+02 1.436E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
;
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 . . 12.9890 ppm . . . 4.7 . . 36447 3
2 . . C 13 C-aromatic . . 28.0118 ppm . . . 124 . . 36447 3
3 . . H 1 H . . 6.9729 ppm . . . 4.7 . . 36447 3
stop_
save_