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 30344
_Spectral_peak_list.ID 3
_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 TOCSY 80'
_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 8.139 4.487 1 T 4.856e+05 0.00e+00 a 0 H.4 HA.4
2 8.468 4.269 1 T 3.519e+05 0.00e+00 a 0 H.5 HA.5
4 8.468 3.068 1 T 2.241e+05 0.00e+00 a 0 H.5 HB2.5
5 8.468 2.964 1 T 2.509e+05 0.00e+00 a 0 H.5 HB3.5
7 3.483 1.947 1 T 2.282e+05 0.00e+00 a 0 HD2.3 HG2.3
8 3.485 1.664 1 T 1.252e+05 0.00e+00 a 0 HD2.3 HG3.3
9 3.565 2.154 1 T 4.704e+05 0.00e+00 a 0 HD3.3 HB2.3
10 3.562 1.946 1 T 2.540e+05 0.00e+00 a 0 HD3.3 HG2.3
11 3.565 1.663 1 T 2.860e+05 0.00e+00 a 0 HD3.3 HG3.3
12 8.299 4.356 1 T 2.902e+05 0.00e+00 a 0 H.6 HA.6
13 8.300 2.645 1 T 8.729e+05 0.00e+00 a 0 H.6 HB2.6
14 8.300 2.698 1 T 9.488e+05 0.00e+00 a 0 H.6 HB3.6
15 8.138 1.639 1 T 4.354e+05 0.00e+00 a 0 H.4 HB2.4
16 8.138 1.449 1 T 4.189e+05 0.00e+00 a 0 H.4 HG.4
17 8.138 0.804 1 T 1.503e+05 0.00e+00 a 0 H.4 QD1.4
18 7.473 3.621 1 T 6.724e+05 0.00e+00 a 0 H.1 HA2.1
19 7.472 3.797 1 T 1.019e+06 0.00e+00 a 0 H.1 HA3.1
20 8.170 4.523 1 T 3.941e+05 0.00e+00 a 0 H.2 HA.2
21 8.171 3.749 1 T 7.283e+05 0.00e+00 a 0 H.2 HB2.2
22 7.186 4.265 1 T 2.826e+03 0.00e+00 a 0 - -
23 8.468 7.343 1 T 7.790e+03 0.00e+00 a 0 - -
24 8.468 7.190 1 T -5.955e+03 0.00e+00 a 0 H.5 QD.5
25 8.468 8.140 1 T 3.948e+03 0.00e+00 a 0 H.5 H.4
28 7.180 7.181 1 T 3.397e+06 0.00e+00 a 0 QD.5 QD.5
29 7.203 7.203 1 T 1.496e+06 0.00e+00 a 0 - -
30 7.249 7.251 1 T 4.292e+06 0.00e+00 a 0 - -
33 8.468 1.449 1 T -2.326e+03 0.00e+00 a 0 H.5 HG.4
34 2.152 1.950 1 T 3.847e+05 0.00e+00 a 0 HB2.3 HG2.3
38 2.146 4.582 1 T 5.136e+05 0.00e+00 a 0 HB2.3 HA.3
39 2.146 4.582 1 T 5.136e+05 0.00e+00 a 0 - -
40 2.145 3.492 1 T 4.849e+05 0.00e+00 a 0 - -
41 1.954 3.492 1 T 1.409e+05 0.00e+00 a 0 - -
42 2.150 1.660 1 T 3.620e+05 0.00e+00 a 0 HB2.3 HG3.3
;
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 . . . 4.7 . . 30344 3
2 . . H 1 H . . 12 ppm . . . 4.7 . . 30344 3
stop_
save_