#########################
# 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 bmse011369
_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 bmse011369 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 bmse011369 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011369 1
2 bmse011369 1
3 bmse011369 1
4 bmse011369 1
5 bmse011369 1
6 bmse011369 1
7 bmse011369 1
8 bmse011369 1
9 bmse011369 1
10 bmse011369 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 2.6031 DMSO bmse011369 1
2 1 6.3170 s_1H bmse011369 1
3 1 4.6500 SUP bmse011369 1
4 1 3.0750 m_1H bmse011369 1
5 1 3.8478 m_1H bmse011369 1
6 1 7.2314 d_2H bmse011369 1
7 1 1.0947 d_4H bmse011369 1
8 1 7.3040 t_2H bmse011369 1
9 1 7.0835 t_1H_Q1 bmse011369 1
10 1 3.1922 m_1H bmse011369 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 1.8156 bmse011369 1
2 2 1 0.0000 bmse011369 1
3 3 1 0.0000 bmse011369 1
4 4 1 6.7674 bmse011369 1
5 5 1 2.7810 bmse011369 1
6 6 1 7.5927 bmse011369 1
7 7 1 6.3823 bmse011369 1
8 8 1 7.8678 bmse011369 1
9 9 1 7.2626 bmse011369 1
10 10 1 3.4898 bmse011369 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011369 1
2 bmse011369 1
3 bmse011369 1
4 bmse011369 1
5 bmse011369 1
6 bmse011369 1
7 bmse011369 1
8 bmse011369 1
9 bmse011369 1
10 bmse011369 1
11 bmse011369 1
12 bmse011369 1
13 bmse011369 1
14 bmse011369 1
15 bmse011369 1
16 bmse011369 1
17 bmse011369 1
18 bmse011369 1
19 bmse011369 1
20 bmse011369 1
21 bmse011369 1
22 bmse011369 1
23 bmse011369 1
24 bmse011369 1
25 bmse011369 1
26 bmse011369 1
27 bmse011369 1
28 bmse011369 1
29 bmse011369 1
30 bmse011369 1
31 bmse011369 1
32 bmse011369 1
33 bmse011369 1
34 bmse011369 1
35 bmse011369 1
36 bmse011369 1
37 bmse011369 1
38 bmse011369 1
39 bmse011369 1
40 bmse011369 1
41 bmse011369 1
42 bmse011369 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 2.5970 bmse011369 1
2 1 2.6000 bmse011369 1
3 1 2.6031 bmse011369 1
4 1 2.6060 bmse011369 1
5 1 2.6091 bmse011369 1
6 1 6.3170 bmse011369 1
7 1 4.6500 bmse011369 1
8 1 3.0976 bmse011369 1
9 1 3.0866 bmse011369 1
10 1 3.0754 bmse011369 1
11 1 3.0635 bmse011369 1
12 1 3.0525 bmse011369 1
13 1 3.8733 bmse011369 1
14 1 3.8662 bmse011369 1
15 1 3.8623 bmse011369 1
16 1 3.8552 bmse011369 1
17 1 3.8548 bmse011369 1
18 1 3.8513 bmse011369 1
19 1 3.8442 bmse011369 1
20 1 3.8407 bmse011369 1
21 1 3.8403 bmse011369 1
22 1 3.8332 bmse011369 1
23 1 3.8293 bmse011369 1
24 1 3.8223 bmse011369 1
25 1 7.2251 bmse011369 1
26 1 7.2377 bmse011369 1
27 1 1.0894 bmse011369 1
28 1 1.1000 bmse011369 1
29 1 7.2909 bmse011369 1
30 1 7.3034 bmse011369 1
31 1 7.3171 bmse011369 1
32 1 7.0714 bmse011369 1
33 1 7.0835 bmse011369 1
34 1 7.0956 bmse011369 1
35 1 3.2125 bmse011369 1
36 1 3.2050 bmse011369 1
37 1 3.2026 bmse011369 1
38 1 3.1951 bmse011369 1
39 1 3.1892 bmse011369 1
40 1 3.1817 bmse011369 1
41 1 3.1795 bmse011369 1
42 1 3.1718 bmse011369 1
stop_
save_