#########################
# 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 bmse011742
_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 bmse011742 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 bmse011742 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011742 1
2 bmse011742 1
3 bmse011742 1
4 bmse011742 1
5 bmse011742 1
6 bmse011742 1
7 bmse011742 1
8 bmse011742 1
9 bmse011742 1
10 bmse011742 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 6.6571 3_d bmse011742 1
2 1 3.7069 13_m_Q3 bmse011742 1
3 1 4.6500 SUP bmse011742 1
4 1 2.6028 DMSO bmse011742 1
5 1 3.8436 12,13_m bmse011742 1
6 1 7.5814 6_d bmse011742 1
7 1 3.3974 10_m bmse011742 1
8 1 1.8548 14,15_m bmse011742 1
9 1 1.9786 15_m_Q2 bmse011742 1
10 1 1.5797 14_m_Q1 bmse011742 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 2.4209 bmse011742 1
2 2 1 7.2993 bmse011742 1
3 3 1 0.0000 bmse011742 1
4 4 1 1.9532 bmse011742 1
5 5 1 99.5889 bmse011742 1
6 6 1 2.3108 bmse011742 1
7 7 1 5.9971 bmse011742 1
8 8 1 80.7197 bmse011742 1
9 9 1 5.5753 bmse011742 1
10 10 1 7.0205 bmse011742 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011742 1
2 bmse011742 1
3 bmse011742 1
4 bmse011742 1
5 bmse011742 1
6 bmse011742 1
7 bmse011742 1
8 bmse011742 1
9 bmse011742 1
10 bmse011742 1
11 bmse011742 1
12 bmse011742 1
13 bmse011742 1
14 bmse011742 1
15 bmse011742 1
16 bmse011742 1
17 bmse011742 1
18 bmse011742 1
19 bmse011742 1
20 bmse011742 1
21 bmse011742 1
22 bmse011742 1
23 bmse011742 1
24 bmse011742 1
25 bmse011742 1
26 bmse011742 1
27 bmse011742 1
28 bmse011742 1
29 bmse011742 1
30 bmse011742 1
31 bmse011742 1
32 bmse011742 1
33 bmse011742 1
34 bmse011742 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 6.6550 bmse011742 1
2 1 6.6591 bmse011742 1
3 1 3.7252 bmse011742 1
4 1 3.7125 bmse011742 1
5 1 3.7019 bmse011742 1
6 1 3.6887 bmse011742 1
7 1 4.6500 bmse011742 1
8 1 2.5963 bmse011742 1
9 1 2.6000 bmse011742 1
10 1 2.6029 bmse011742 1
11 1 2.6056 bmse011742 1
12 1 2.6093 bmse011742 1
13 1 3.9266 bmse011742 1
14 1 3.7607 bmse011742 1
15 1 7.5795 bmse011742 1
16 1 7.5833 bmse011742 1
17 1 3.4074 bmse011742 1
18 1 3.3973 bmse011742 1
19 1 3.3874 bmse011742 1
20 1 1.9220 bmse011742 1
21 1 1.7875 bmse011742 1
22 1 2.0065 bmse011742 1
23 1 1.9938 bmse011742 1
24 1 1.9850 bmse011742 1
25 1 1.9760 bmse011742 1
26 1 1.9718 bmse011742 1
27 1 1.9625 bmse011742 1
28 1 1.9507 bmse011742 1
29 1 1.6090 bmse011742 1
30 1 1.5971 bmse011742 1
31 1 1.5837 bmse011742 1
32 1 1.5758 bmse011742 1
33 1 1.5626 bmse011742 1
34 1 1.5505 bmse011742 1
stop_
save_