#########################
# 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 bmse011639
_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 bmse011639 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 bmse011639 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011639 1
2 bmse011639 1
3 bmse011639 1
4 bmse011639 1
5 bmse011639 1
6 bmse011639 1
7 bmse011639 1
8 bmse011639 1
9 bmse011639 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 1.8841 m_6H bmse011639 1
2 1 1.5628 m_3H_Q1 bmse011639 1
3 1 1.0852 m_3H bmse011639 1
4 1 2.6029 DMSO bmse011639 1
5 1 1.2456 m_9H bmse011639 1
6 1 2.4857 Imp1 bmse011639 1
7 1 1.6416 m_1H bmse011639 1
8 1 1.7088 m_6H bmse011639 1
9 1 3.0668 m_2H bmse011639 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 7.9595 bmse011639 1
2 2 1 8.3630 bmse011639 1
3 3 1 5.1581 bmse011639 1
4 4 1 1.9807 bmse011639 1
5 5 1 6.2845 bmse011639 1
6 6 1 0.0000 bmse011639 1
7 7 1 5.7220 bmse011639 1
8 8 1 4.2915 bmse011639 1
9 9 1 4.2758 bmse011639 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011639 1
2 bmse011639 1
3 bmse011639 1
4 bmse011639 1
5 bmse011639 1
6 bmse011639 1
7 bmse011639 1
8 bmse011639 1
9 bmse011639 1
10 bmse011639 1
11 bmse011639 1
12 bmse011639 1
13 bmse011639 1
14 bmse011639 1
15 bmse011639 1
16 bmse011639 1
17 bmse011639 1
18 bmse011639 1
19 bmse011639 1
20 bmse011639 1
21 bmse011639 1
22 bmse011639 1
23 bmse011639 1
24 bmse011639 1
25 bmse011639 1
26 bmse011639 1
27 bmse011639 1
28 bmse011639 1
29 bmse011639 1
30 bmse011639 1
31 bmse011639 1
32 bmse011639 1
33 bmse011639 1
34 bmse011639 1
35 bmse011639 1
36 bmse011639 1
37 bmse011639 1
38 bmse011639 1
39 bmse011639 1
40 bmse011639 1
41 bmse011639 1
42 bmse011639 1
43 bmse011639 1
44 bmse011639 1
45 bmse011639 1
46 bmse011639 1
47 bmse011639 1
48 bmse011639 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 1.9040 bmse011639 1
2 1 1.8921 bmse011639 1
3 1 1.8675 bmse011639 1
4 1 1.8642 bmse011639 1
5 1 1.5767 bmse011639 1
6 1 1.5710 bmse011639 1
7 1 1.5488 bmse011639 1
8 1 1.1196 bmse011639 1
9 1 1.1136 bmse011639 1
10 1 1.1079 bmse011639 1
11 1 1.0925 bmse011639 1
12 1 1.0867 bmse011639 1
13 1 1.0718 bmse011639 1
14 1 1.0646 bmse011639 1
15 1 1.0591 bmse011639 1
16 1 1.0509 bmse011639 1
17 1 2.5963 bmse011639 1
18 1 2.6000 bmse011639 1
19 1 2.6029 bmse011639 1
20 1 2.6056 bmse011639 1
21 1 2.6095 bmse011639 1
22 1 1.2927 bmse011639 1
23 1 1.2714 bmse011639 1
24 1 1.2670 bmse011639 1
25 1 1.2540 bmse011639 1
26 1 1.2494 bmse011639 1
27 1 1.2406 bmse011639 1
28 1 1.2254 bmse011639 1
29 1 1.2199 bmse011639 1
30 1 1.2043 bmse011639 1
31 1 1.1985 bmse011639 1
32 1 2.4857 bmse011639 1
33 1 1.6559 bmse011639 1
34 1 1.6546 bmse011639 1
35 1 1.6510 bmse011639 1
36 1 1.6273 bmse011639 1
37 1 1.7195 bmse011639 1
38 1 1.7151 bmse011639 1
39 1 1.7054 bmse011639 1
40 1 1.6981 bmse011639 1
41 1 3.0917 bmse011639 1
42 1 3.0847 bmse011639 1
43 1 3.0781 bmse011639 1
44 1 3.0739 bmse011639 1
45 1 3.0666 bmse011639 1
46 1 3.0602 bmse011639 1
47 1 3.0490 bmse011639 1
48 1 3.0418 bmse011639 1
stop_
save_