#########################
# 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 bmse011691
_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 bmse011691 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 bmse011691 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011691 1
2 bmse011691 1
3 bmse011691 1
4 bmse011691 1
5 bmse011691 1
6 bmse011691 1
7 bmse011691 1
8 bmse011691 1
10 bmse011691 1
11 bmse011691 1
12 bmse011691 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 3.8409 5_m bmse011691 1
2 1 2.5109 9_m bmse011691 1
3 1 2.6217 DMSO_7_m bmse011691 1
4 1 7.1922 14,15,18_m bmse011691 1
5 1 1.7936 10_m_Q2 bmse011691 1
6 1 1.1290 11,12_m bmse011691 1
7 1 3.5965 6_m_Q3 bmse011691 1
8 1 7.2863 16,17_dd bmse011691 1
9 1 4.6500 SUP bmse011691 1
10 1 3.0225 6_m bmse011691 1
11 1 1.5996 10,11_m_Q1 bmse011691 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 16.6526 bmse011691 1
2 2 1 7.2626 bmse011691 1
3 3 1 79.9783 bmse011691 1
4 4 1 57.9573 bmse011691 1
5 5 1 2.9931 bmse011691 1
6 6 1 122.7841 bmse011691 1
7 7 1 4.3741 bmse011691 1
8 8 1 7.4827 bmse011691 1
9 8 1 7.4827 bmse011691 1
10 9 1 0.0000 bmse011691 1
11 10 1 5.8321 bmse011691 1
12 11 1 115.6489 bmse011691 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011691 1
2 bmse011691 1
3 bmse011691 1
4 bmse011691 1
5 bmse011691 1
6 bmse011691 1
7 bmse011691 1
8 bmse011691 1
9 bmse011691 1
10 bmse011691 1
11 bmse011691 1
12 bmse011691 1
13 bmse011691 1
14 bmse011691 1
15 bmse011691 1
16 bmse011691 1
17 bmse011691 1
18 bmse011691 1
19 bmse011691 1
20 bmse011691 1
21 bmse011691 1
22 bmse011691 1
23 bmse011691 1
24 bmse011691 1
25 bmse011691 1
26 bmse011691 1
27 bmse011691 1
28 bmse011691 1
29 bmse011691 1
30 bmse011691 1
31 bmse011691 1
32 bmse011691 1
33 bmse011691 1
34 bmse011691 1
35 bmse011691 1
36 bmse011691 1
37 bmse011691 1
38 bmse011691 1
39 bmse011691 1
40 bmse011691 1
41 bmse011691 1
42 bmse011691 1
43 bmse011691 1
44 bmse011691 1
45 bmse011691 1
46 bmse011691 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 3.8825 bmse011691 1
2 1 3.8511 bmse011691 1
3 1 3.8306 bmse011691 1
4 1 3.7992 bmse011691 1
5 1 2.5169 bmse011691 1
6 1 2.5048 bmse011691 1
7 1 2.6884 bmse011691 1
8 1 2.5551 bmse011691 1
9 1 7.2405 bmse011691 1
10 1 7.1439 bmse011691 1
11 1 1.8310 bmse011691 1
12 1 1.8253 bmse011691 1
13 1 1.8250 bmse011691 1
14 1 1.8189 bmse011691 1
15 1 1.8125 bmse011691 1
16 1 1.8063 bmse011691 1
17 1 1.8057 bmse011691 1
18 1 1.8000 bmse011691 1
19 1 1.7938 bmse011691 1
20 1 1.7876 bmse011691 1
21 1 1.7817 bmse011691 1
22 1 1.7751 bmse011691 1
23 1 1.7687 bmse011691 1
24 1 1.7677 bmse011691 1
25 1 1.7624 bmse011691 1
26 1 1.7562 bmse011691 1
27 1 1.2313 bmse011691 1
28 1 1.0267 bmse011691 1
29 1 3.6111 bmse011691 1
30 1 3.6078 bmse011691 1
31 1 3.6054 bmse011691 1
32 1 3.5851 bmse011691 1
33 1 3.5820 bmse011691 1
34 1 7.2988 bmse011691 1
35 1 7.2861 bmse011691 1
36 1 7.2861 bmse011691 1
37 1 7.2738 bmse011691 1
38 1 4.6500 bmse011691 1
39 1 3.0468 bmse011691 1
40 1 3.0424 bmse011691 1
41 1 3.0242 bmse011691 1
42 1 3.0206 bmse011691 1
43 1 3.0028 bmse011691 1
44 1 2.9982 bmse011691 1
45 1 1.6959 bmse011691 1
46 1 1.5032 bmse011691 1
stop_
save_