#########################
# Spectral peak lists #
#########################
save_spectral_peaks_1D_1H
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H
_Spectral_peak_list.Entry_ID bmse011656
_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 1
_Spectral_peak_list.Experiment_name '1D 1H'
_Spectral_peak_list.Number_of_spectral_dimensions 1
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Details 'F1: 1H'
loop_
_Spectral_dim.ID
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 600.1728185 H 1 'Full H' 12.0157698570257 ppm bmse011656 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_topspin bmse011656 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011656 1
2 bmse011656 1
3 bmse011656 1
4 bmse011656 1
5 bmse011656 1
6 bmse011656 1
7 bmse011656 1
8 bmse011656 1
9 bmse011656 1
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Details
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 7.0565 d_4H bmse011656 1
2 1 4.6500 SUP bmse011656 1
3 1 3.6673 t_2H_Q1 bmse011656 1
4 1 0.8077 m_4H bmse011656 1
5 1 3.8862 t_2H bmse011656 1
6 1 2.6030 DMSO bmse011656 1
7 1 3.0328 t_2H bmse011656 1
8 1 3.1252 t_2H bmse011656 1
9 1 1.9355 t_1H bmse011656 1
stop_
loop_
_Peak_coupling.ID
_Peak_coupling.Peak_ID
_Peak_coupling.Spectral_dim_ID
_Peak_coupling.Coupling_val
_Peak_coupling.Entry_ID
_Peak_coupling.Spectral_peak_list_ID
1 1 1 6.2722 bmse011656 1
2 2 1 0.0000 bmse011656 1
3 3 1 5.0068 bmse011656 1
4 4 1 3.1573 bmse011656 1
5 5 1 5.0068 bmse011656 1
6 6 1 1.8982 bmse011656 1
7 7 1 5.0618 bmse011656 1
8 8 1 5.0068 bmse011656 1
9 9 1 8.0329 bmse011656 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011656 1
2 bmse011656 1
3 bmse011656 1
4 bmse011656 1
5 bmse011656 1
6 bmse011656 1
7 bmse011656 1
8 bmse011656 1
9 bmse011656 1
10 bmse011656 1
11 bmse011656 1
12 bmse011656 1
13 bmse011656 1
14 bmse011656 1
15 bmse011656 1
16 bmse011656 1
17 bmse011656 1
18 bmse011656 1
19 bmse011656 1
20 bmse011656 1
21 bmse011656 1
22 bmse011656 1
23 bmse011656 1
24 bmse011656 1
25 bmse011656 1
26 bmse011656 1
27 bmse011656 1
28 bmse011656 1
29 bmse011656 1
30 bmse011656 1
31 bmse011656 1
32 bmse011656 1
33 bmse011656 1
34 bmse011656 1
35 bmse011656 1
36 bmse011656 1
37 bmse011656 1
stop_
loop_
_Spectral_transition_char.Spectral_transition_ID
_Spectral_transition_char.Spectral_dim_ID
_Spectral_transition_char.Chem_shift_val
_Spectral_transition_char.Entry_ID
_Spectral_transition_char.Spectral_peak_list_ID
1 1 7.0513 bmse011656 1
2 1 7.0617 bmse011656 1
3 1 4.6500 bmse011656 1
4 1 3.6590 bmse011656 1
5 1 3.6674 bmse011656 1
6 1 3.6757 bmse011656 1
7 1 0.8418 bmse011656 1
8 1 0.8336 bmse011656 1
9 1 0.8292 bmse011656 1
10 1 0.8241 bmse011656 1
11 1 0.8204 bmse011656 1
12 1 0.8156 bmse011656 1
13 1 0.8109 bmse011656 1
14 1 0.8028 bmse011656 1
15 1 0.7995 bmse011656 1
16 1 0.7945 bmse011656 1
17 1 0.7912 bmse011656 1
18 1 0.7867 bmse011656 1
19 1 0.7821 bmse011656 1
20 1 0.7735 bmse011656 1
21 1 3.8779 bmse011656 1
22 1 3.8863 bmse011656 1
23 1 3.8946 bmse011656 1
24 1 2.5967 bmse011656 1
25 1 2.5998 bmse011656 1
26 1 2.6029 bmse011656 1
27 1 2.6060 bmse011656 1
28 1 2.6093 bmse011656 1
29 1 3.0244 bmse011656 1
30 1 3.0328 bmse011656 1
31 1 3.0413 bmse011656 1
32 1 3.1168 bmse011656 1
33 1 3.1251 bmse011656 1
34 1 3.1335 bmse011656 1
35 1 1.9221 bmse011656 1
36 1 1.9355 bmse011656 1
37 1 1.9489 bmse011656 1
stop_
save_