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 30337
_Spectral_peak_list.ID 1
_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.Experiment_ID 2
_Spectral_peak_list.Experiment_name '2D 1H-1H ROESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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 2
# INAME 1 H
# INAME 2 H
# CYANAFORMAT HH
1 7.699 7.240 1 T -6.423e+05 0.00e+00 a 0 - -
2 8.002 7.915 1 T -1.171e+06 0.00e+00 a 0 - -
3 8.477 7.916 1 T -5.070e+05 0.00e+00 a 0 - -
4 7.701 3.721 1 T -5.502e+05 0.00e+00 a 0 - -
5 8.209 0.953 1 T -8.150e+05 0.00e+00 a 0 - -
7 3.165 2.995 1 T -6.619e+06 0.00e+00 a 0 - -
8 8.478 7.696 1 T -4.022e+05 0.00e+00 a 0 - -
9 8.464 7.254 1 T -3.577e+05 0.00e+00 a 0 - -
10 8.207 7.255 1 T -3.465e+05 0.00e+00 a 0 - -
11 7.384 7.240 1 T -9.635e+06 0.00e+00 a 0 - -
12 7.428 7.240 1 T -1.741e+06 0.00e+00 a 0 - -
13 7.339 7.240 1 T -3.554e+06 0.00e+00 a 0 - -
14 7.255 7.196 1 T 6.632e+06 0.00e+00 a 0 - -
15 7.255 7.105 1 T 3.810e+05 0.00e+00 a 0 - -
16 7.246 7.153 1 T 1.291e+05 0.00e+00 a 0 - -
17 8.210 7.934 1 T -6.404e+05 0.00e+00 a 0 - -
18 8.463 8.209 1 T -4.959e+05 0.00e+00 a 0 - -
19 8.463 4.603 1 T -1.569e+06 0.00e+00 a 0 - -
20 8.478 4.679 1 T -1.833e+06 0.00e+00 a 0 - -
21 8.463 4.508 1 T -6.626e+05 0.00e+00 a 0 - -
22 8.478 4.386 1 T -2.755e+06 0.00e+00 a 0 - -
23 8.478 4.195 1 T -1.203e+06 0.00e+00 a 0 - -
24 8.478 3.721 1 T -2.166e+06 0.00e+00 a 0 - -
25 8.463 3.205 1 T -8.600e+05 0.00e+00 a 0 - -
26 8.463 3.149 1 T -6.675e+05 0.00e+00 a 0 - -
27 8.209 3.147 1 T -7.637e+05 0.00e+00 a 0 - -
28 7.701 3.001 1 T -7.709e+05 0.00e+00 a 0 - -
29 7.701 3.142 1 T -4.368e+05 0.00e+00 a 0 - -
30 8.211 2.115 1 T -1.858e+06 0.00e+00 a 0 - -
31 7.934 2.119 1 T -4.178e+05 0.00e+00 a 0 - -
32 7.919 1.127 1 T -1.028e+06 0.00e+00 a 0 - -
33 8.211 0.999 1 T -2.142e+06 0.00e+00 a 0 - -
34 7.256 0.999 1 T -5.552e+05 0.00e+00 a 0 - -
35 7.240 2.581 1 T -6.108e+05 0.00e+00 a 0 - -
36 7.240 3.000 1 T -3.076e+06 0.00e+00 a 0 - -
37 7.246 3.142 1 T -4.506e+06 0.00e+00 a 0 - -
38 7.256 3.205 1 T -2.510e+06 0.00e+00 a 0 - -
39 7.254 3.142 1 T -3.834e+06 0.00e+00 a 0 - -
40 7.240 3.721 1 T -4.784e+05 0.00e+00 a 0 - -
41 7.934 3.829 1 T -1.221e+06 0.00e+00 a 0 - -
42 7.934 3.786 1 T -1.221e+06 0.00e+00 a 0 - -
43 8.001 3.781 1 T -4.439e+05 0.00e+00 a 0 - -
44 8.001 3.924 1 T -2.154e+06 0.00e+00 a 0 - -
45 8.001 4.018 1 T -7.802e+05 0.00e+00 a 0 - -
46 8.001 4.071 1 T -5.782e+05 0.00e+00 a 0 - -
47 7.924 3.929 1 T -3.941e+05 0.00e+00 a 0 - -
48 7.924 4.027 1 T -6.236e+05 0.00e+00 a 0 - -
49 7.701 4.198 1 T -8.456e+05 0.00e+00 a 0 - -
50 7.935 4.071 1 T -4.684e+05 0.00e+00 a 0 - -
51 7.924 4.389 1 T -4.802e+05 0.00e+00 a 0 - -
52 7.924 4.513 1 T -5.291e+05 0.00e+00 a 0 - -
53 7.701 4.596 1 T -5.365e+05 0.00e+00 a 0 - -
54 7.924 4.613 1 T -8.133e+05 0.00e+00 a 0 - -
55 7.925 4.669 1 T -1.777e+06 0.00e+00 a 0 - -
56 7.909 4.693 1 T -1.200e+06 0.00e+00 a 0 - -
57 7.625 4.596 1 T -1.130e+06 0.00e+00 a 0 - -
58 7.241 4.596 1 T -1.990e+06 0.00e+00 a 0 - -
59 7.257 4.505 1 T -2.167e+06 0.00e+00 a 0 - -
60 7.908 4.976 1 T -4.709e+05 0.00e+00 a 0 - -
61 7.934 0.951 1 T -2.802e+05 0.00e+00 a 0 - -
63 8.211 3.206 1 T -2.940e+05 0.00e+00 a 0 - -
64 7.356 3.149 1 T -3.489e+05 0.00e+00 a 0 - -
65 7.240 4.382 1 T -3.086e+05 0.00e+00 a 0 - -
66 7.408 3.143 1 T -2.348e+05 0.00e+00 a 0 - -
67 8.210 3.836 1 T -1.128e+06 0.00e+00 a 0 - -
68 8.210 4.507 1 T -9.087e+05 0.00e+00 a 0 - -
69 7.700 4.387 1 T -3.285e+05 0.00e+00 a 0 - -
70 8.470 7.626 1 T -2.907e+05 0.00e+00 a 0 - -
72 3.834 1.000 1 T -2.273e+06 0.00e+00 a 0 - -
73 3.833 0.956 1 T -2.220e+06 0.00e+00 a 0 - -
74 4.404 1.127 1 T -7.376e+05 0.00e+00 a 0 - -
75 4.369 1.131 1 T -9.511e+05 0.00e+00 a 0 - -
76 3.833 2.118 1 T -2.187e+06 0.00e+00 a 0 - -
77 4.192 3.722 1 T -4.331e+06 0.00e+00 a 0 - -
78 4.061 3.778 1 T -7.356e+06 0.00e+00 a 0 - -
79 4.046 3.913 1 T -3.627e+06 0.00e+00 a 0 - -
80 4.005 3.901 1 T -2.301e+06 0.00e+00 a 0 - -
81 3.779 0.955 1 T -2.798e+05 0.00e+00 a 0 - -
82 2.114 0.950 1 T -2.303e+06 0.00e+00 a 0 - -
83 2.114 0.997 1 T -2.066e+06 0.00e+00 a 0 - -
84 1.019 0.955 1 T -1.258e+06 0.00e+00 a 0 - -
85 2.218 0.482 1 T -3.666e+05 0.00e+00 a 0 - -
86 0.009 -0.035 1 T 1.700e+05 0.00e+00 a 0 - -
87 -0.002 -0.083 1 T -5.569e+05 0.00e+00 a 0 - -
88 -0.009 -0.058 1 T 2.158e+04 0.00e+00 a 0 - -
89 0.972 0.506 1 T -3.032e+05 0.00e+00 a 0 - -
90 0.972 0.583 1 T -2.934e+05 0.00e+00 a 0 - -
91 4.388 1.129 1 T -3.667e+04 0.00e+00 a 0 - -
92 1.013 2.115 1 T -3.559e+06 0.00e+00 a 0 - -
93 7.254 0.952 1 T -3.840e+05 0.00e+00 a 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 . . 12 ppm . . . 4.697 . . 30337 1
2 . . H 1 H . . 12 ppm . . . 4.697 . . 30337 1
stop_
save_