Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 31062
_Spectral_peak_list.ID 2
_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 4
_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
3 6.792 132.692 2.286 3 U 9.450000E+07 0.000000E+00 a 0 90 94 87 #QU 0.989 #SUP 0.99
4 6.792 132.692 2.192 3 U 8.993000E+07 0.000000E+00 a 0 90 94 88 #QU 0.956 #SUP 0.96
5 7.375 130.866 6.787 3 U 4.971000E+07 0.000000E+00 a 0 91 96 90 #QU 0.989 #SUP 0.99
6 7.309 133.228 2.973 3 U 5.253000E+07 0.000000E+00 a 0 502 506 500 #QU 1.000 #SUP 1.00
7 7.309 133.228 3.127 3 U 5.456000E+07 0.000000E+00 a 0 502 506 499 #QU 0.999 #SUP 1.00
9 7.309 133.228 8.231 3 U 3.315000E+07 0.000000E+00 a 0 502 506 495 #QU 0.988 #SUP 0.99
10 7.309 133.228 6.803 3 U 1.198000E+08 0.000000E+00 a 0 502 506 503 #QU 0.989 #SUP 0.99
11 7.309 133.228 4.618 3 U 2.201000E+07 0.000000E+00 a 0 502 506 471 #VC 0.48718 #QU 0.701 #SUP 1.00
502 506 497 #VC 0.51282 #QU 0.999 #SUP 1.00
13 7.133 125.861 2.801 4 U 1.797000E+07 0.000000E+00 a 0 0 0 0
15 7.133 125.861 3.993 4 U 2.818000E+07 0.000000E+00 a 0 0 0 0 #QU 0.011
16 7.133 125.861 4.680 4 U 1.391000E+07 0.000000E+00 a 0 0 0 0
17 7.133 125.861 2.253 4 U 4.274000E+07 0.000000E+00 a 0 0 0 0
19 7.133 125.861 1.760 4 U 4.162000E+07 0.000000E+00 a 0 0 0 0
21 7.133 125.861 10.334 3 U 7.705000E+07 0.000000E+00 a 0 447 442 451 #QU 0.956 #SUP 0.96
22 7.308 113.970 10.326 3 U 1.724000E+07 0.000000E+00 a 0 454 450 451 #QU 1.000 #SUP 1.00
23 7.101 124.513 7.310 3 U 5.026000E+07 0.000000E+00 a 0 455 453 454 #QU 0.997 #SUP 1.00
24 7.308 113.970 7.101 3 U 6.056000E+07 0.000000E+00 a 0 454 450 455 #QU 1.000 #SUP 1.00
25 6.933 133.140 2.825 3 U 4.696000E+07 0.000000E+00 a 0 181 185 179 #QU 1.000 #SUP 1.00
26 6.933 133.140 2.977 3 U 5.873000E+07 0.000000E+00 a 0 181 185 178 #QU 1.000 #SUP 1.00
27 6.933 133.140 3.819 3 U 2.857000E+07 0.000000E+00 a 0 181 185 176 #QU 0.999 #SUP 1.00
28 6.917 118.534 2.824 3 U 1.943000E+07 0.000000E+00 a 0 182 187 179 #QU 0.999 #SUP 1.00
29 6.917 118.534 3.825 3 U 1.093000E+07 0.000000E+00 a 0 182 187 176 #QU 0.925 #SUP 0.92
31 6.837 132.831 2.861 3 U 6.881000E+07 0.000000E+00 a 0 305 309 302 #QU 0.997 #SUP 1.00
32 6.837 132.831 3.003 3 U 5.316000E+07 0.000000E+00 a 0 305 309 303 #QU 0.999 #SUP 1.00
33 6.837 132.831 3.453 3 U 1.882000E+07 0.000000E+00 a 0 305 309 258 #QU 0.960 #SUP 0.96
34 6.837 132.831 2.635 3 U 6.626000E+07 0.000000E+00 a 0 305 309 259 #QU 0.851 #SUP 0.85
35 6.635 118.007 2.639 3 U 3.537000E+07 0.000000E+00 a 0 306 311 259 #QU 0.843 #SUP 0.84
36 6.633 118.007 0.798 4 U 5.329000E+07 0.000000E+00 a 0 0 0 0
37 6.635 118.007 0.402 4 U 1.436000E+07 0.000000E+00 a 0 0 0 0 #QU 0.051
39 6.837 132.831 4.606 4 U 5.648000E+07 0.000000E+00 a 0 0 0 0 #QU 0.013
40 6.837 132.831 5.281 3 U 5.420000E+07 0.000000E+00 a 0 305 309 300 #QU 0.988 #SUP 0.99
41 6.837 132.831 6.634 3 U 1.369000E+08 0.000000E+00 a 0 305 309 306 #QU 1.000 #SUP 1.00
42 6.635 118.007 6.836 3 U 1.297000E+08 0.000000E+00 a 0 306 311 305 #QU 1.000 #SUP 1.00
43 7.255 120.008 3.128 3 U 1.866000E+07 0.000000E+00 a 0 448 444 438 #QU 0.997 #SUP 1.00
44 7.255 120.008 3.236 4 U 1.259000E+07 0.000000E+00 a 0 0 0 0
45 7.525 121.496 3.108 3 U 2.114000E+07 0.000000E+00 a 0 532 528 524 #QU 0.999 #SUP 1.00
46 7.525 121.496 3.233 3 U 9.582000E+06 0.000000E+00 a 0 532 528 523 #QU 0.999 #SUP 1.00
48 8.570 136.609 5.733 4 U 6.961000E+06 0.000000E+00 a 0 0 0 0
49 8.570 136.609 6.395 4 U 5.992000E+06 0.000000E+00 a 0 0 0 0
50 7.255 120.008 0.832 3 U 9.605000E+06 0.000000E+00 a 0 448 444 420 #QU 0.433 #SUP 0.43
55 6.792 132.692 4.090 3 U 1.908000E+07 0.000000E+00 a 0 90 94 69 #QU 0.981 #SUP 0.98
56 6.792 132.692 2.532 4 U 1.634000E+07 0.000000E+00 a 0 0 0 0
57 6.792 132.692 2.618 4 U 1.290000E+07 0.000000E+00 a 0 0 0 0
59 6.792 132.692 4.632 3 U 2.235000E+07 0.000000E+00 a 0 90 94 85 #QU 0.994 #SUP 0.99
60 6.792 132.692 7.372 3 U 1.307000E+08 0.000000E+00 a 0 90 94 91 #QU 0.997 #SUP 1.00
62 6.917 118.534 1.005 3 U 1.283000E+07 0.000000E+00 a 0 182 187 367 #QU 0.438 #SUP 0.44
64 6.797 118.518 0.434 4 U 2.088000E+07 0.000000E+00 a 0 0 0 0
65 6.797 118.518 7.298 3 U 1.692000E+08 0.000000E+00 a 0 503 508 502 #QU 0.895 #SUP 0.89
66 8.570 136.609 6.812 4 U 2.105000E+05 0.000000E+00 a 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-aromatic . 'not observed' 13.887 ppm . . . 4.755 . . 31062 2
2 . . C 13 C-aromatic . 'not observed' 33.005 ppm . . . 125.206 . . 31062 2
3 . . H 1 H . 'not observed' 13.887 ppm . . . 4.755 . . 31062 2
stop_
save_