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 31046
_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 7
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic - filtered'
_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 0.0150 0.5000 0.0300
1 -0.471 10.557 6.026 1 T 6.626e+02 0.00e+00 a 0 0 0 0 0
2 -0.471 10.557 6.178 1 T 9.711e+02 0.00e+00 a 0 0 0 0 0
3 3.774 63.820 1.378 1 T 5.517e+02 0.00e+00 a 0 0 0 0 0
5 0.846 26.170 2.431 1 T 2.272e+03 0.00e+00 a 0 0 0 0 0
6 1.001 25.568 2.428 1 T 2.441e+03 0.00e+00 a 0 0 0 0 0
8 0.845 25.982 6.009 1 T 1.317e+03 0.00e+00 a 0 0 0 0 0
9 0.660 23.845 6.023 1 T 1.246e+03 0.00e+00 a 0 0 0 0 0
10 0.808 23.267 6.009 1 T 8.505e+02 0.00e+00 a 0 0 0 0 0
11 1.304 23.677 5.399 1 T 1.309e+03 0.00e+00 a 0 0 0 0 0
13 0.808 23.267 2.438 1 T 1.535e+03 0.00e+00 a 0 0 0 0 0
14 0.660 23.845 2.413 1 T 7.539e+02 0.00e+00 a 0 0 0 0 0
16 1.315 18.492 -0.983 1 T 6.425e+02 0.00e+00 a 0 0 0 0 0
20 0.848 13.790 5.988 1 T 1.526e+03 0.00e+00 a 0 0 0 0 0
21 1.476 21.342 3.722 1 T 3.149e+03 0.00e+00 a 0 0 0 0 0
22 0.894 24.162 3.988 1 T 2.633e+03 0.00e+00 a 0 0 0 0 0
23 1.001 25.568 5.997 1 T 3.881e+03 0.00e+00 a 0 0 0 0 0
24 1.002 25.308 2.424 1 T 1.762e+03 0.00e+00 a 0 0 0 0 0
25 0.851 25.308 2.433 1 T 9.320e+02 0.00e+00 a 0 0 0 0 0
27 1.749 17.975 5.992 1 T 5.308e+03 0.00e+00 a 0 0 0 0 0
28 1.749 17.975 2.443 1 T 5.590e+03 0.00e+00 a 0 0 0 0 0
29 0.894 24.162 1.561 1 T 1.020e+03 0.00e+00 a 0 0 0 0 0
30 1.001 25.568 1.741 1 T 6.228e+02 0.00e+00 a 0 0 0 0 0
31 0.855 25.447 2.430 1 T 9.320e+02 0.00e+00 a 0 0 0 0 0
32 0.855 25.447 5.996 1 T 5.769e+02 0.00e+00 a 0 0 0 0 0
33 2.050 16.961 0.605 1 T 4.466e+03 0.00e+00 a 0 0 0 0 0
34 1.306 23.719 1.427 1 T 8.946e+02 0.00e+00 a 0 0 0 0 0
35 0.658 23.340 2.435 1 T 5.261e+02 0.00e+00 a 0 0 0 0 0
36 0.658 23.340 6.005 1 T 6.671e+02 0.00e+00 a 0 0 0 0 0
37 0.659 23.340 1.360 1 T 3.869e+02 0.00e+00 a 0 0 0 0 0
38 -0.467 10.608 1.368 1 T 3.627e+02 0.00e+00 a 0 0 0 0 0
39 -0.466 10.517 2.114 1 T 2.031e+02 0.00e+00 a 0 0 0 0 0
40 -0.471 10.557 2.445 1 T 7.242e+02 0.00e+00 a 0 0 0 0 0
41 -0.470 10.557 1.739 1 T 1.628e+02 0.00e+00 a 0 0 0 0 0
44 -0.471 10.557 0.745 1 T 1.326e+03 0.00e+00 a 0 0 0 0 0
45 0.843 13.666 0.998 1 T 8.169e+02 0.00e+00 a 0 0 0 0 0
46 0.848 13.790 2.438 1 T 6.127e+02 0.00e+00 a 0 0 0 0 0
47 0.725 14.288 1.452 1 T 1.266e+03 0.00e+00 a 0 0 0 0 0
48 0.724 14.203 0.065 1 T 4.478e+02 0.00e+00 a 0 0 0 0 0
49 0.362 16.442 0.740 1 T 1.517e+03 0.00e+00 a 0 0 0 0 0
50 0.358 16.482 6.197 1 T 6.425e+02 0.00e+00 a 0 0 0 0 0
53 2.050 16.961 4.182 1 T 5.750e+02 0.00e+00 a 0 0 0 0 0
54 2.050 16.961 6.239 1 T 7.432e+02 0.00e+00 a 0 0 0 0 0
55 1.749 17.975 -0.471 1 T 1.307e+03 0.00e+00 a 0 0 0 0 0
56 6.494 53.086 9.287 1 T 1.008e+03 0.00e+00 a 0 0 0 0 0
57 6.475 53.043 7.920 1 T 8.653e+02 0.00e+00 a 0 0 0 0 0
58 6.697 53.043 6.239 1 T 4.774e+02 0.00e+00 a 0 0 0 0 0
59 2.607 28.390 1.470 1 T 5.700e+02 0.00e+00 a 0 0 0 0 0
60 2.744 28.573 1.567 1 T 7.010e+02 0.00e+00 a 0 0 0 0 0
61 2.192 28.546 1.556 1 T 6.262e+02 0.00e+00 a 0 0 0 0 0
64 0.996 26.060 5.998 1 T 4.183e+03 0.00e+00 a 0 0 0 0 0
65 0.996 26.060 2.447 1 T 1.998e+03 0.00e+00 a 0 0 0 0 0
66 2.050 16.961 7.037 1 T 2.417e+02 0.00e+00 a 0 0 0 0 0
67 2.050 16.961 6.735 1 T 3.914e+02 0.00e+00 a 0 0 0 0 0
68 1.750 18.000 0.955 1 T 9.824e+02 0.00e+00 a 0 0 0 0 0
69 1.749 17.975 0.937 1 T 9.572e+02 0.00e+00 a 0 0 0 0 0
70 2.433 34.220 0.737 1 T 5.066e+02 0.00e+00 a 0 0 0 0 0
71 2.328 34.220 0.739 1 T 4.574e+02 0.00e+00 a 0 0 0 0 0
72 2.639 33.927 3.735 1 T 6.320e+02 0.00e+00 a 0 0 0 0 0
73 2.133 33.927 3.729 1 T 4.980e+02 0.00e+00 a 0 0 0 0 0
74 1.476 21.342 3.700 1 T 2.960e+03 0.00e+00 a 0 0 0 0 0
75 1.476 21.342 3.759 1 T 2.669e+03 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' 16.447 ppm . . . 4.7 . . 31046 1
2 . . C 13 C-aliphatic . 'not observed' 64.958 ppm . . . 38.85 . . 31046 1
3 . . H 1 H . 'not observed' 13.292 ppm . . . 4.7 . . 31046 1
stop_
save_