#########################
# 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 bmse011481
_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 bmse011481 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 bmse011481 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011481 1
2 bmse011481 1
3 bmse011481 1
4 bmse011481 1
6 bmse011481 1
7 bmse011481 1
8 bmse011481 1
9 bmse011481 1
10 bmse011481 1
11 bmse011481 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 2.7168 Imp2 bmse011481 1
2 1 4.6500 SUP bmse011481 1
3 1 3.4376 m_1H bmse011481 1
4 1 3.5399 dd_1H bmse011481 1
5 1 2.6030 DMSO bmse011481 1
6 1 2.0265 m_1H bmse011481 1
7 1 3.0327 s_1H bmse011481 1
8 1 1.2309 m_4H bmse011481 1
9 1 3.2431 m_1H bmse011481 1
10 1 3.6852 m_1H_Q1 bmse011481 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 0.0000 bmse011481 1
2 2 1 0.0000 bmse011481 1
3 3 1 4.6904 bmse011481 1
4 4 1 12.3794 bmse011481 1
5 4 1 7.9779 bmse011481 1
6 5 1 1.9532 bmse011481 1
7 6 1 5.5098 bmse011481 1
8 7 1 0.0000 bmse011481 1
9 8 1 0.0000 bmse011481 1
10 9 1 5.6120 bmse011481 1
11 10 1 5.4873 bmse011481 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011481 1
2 bmse011481 1
3 bmse011481 1
4 bmse011481 1
5 bmse011481 1
6 bmse011481 1
7 bmse011481 1
8 bmse011481 1
9 bmse011481 1
10 bmse011481 1
11 bmse011481 1
12 bmse011481 1
13 bmse011481 1
14 bmse011481 1
15 bmse011481 1
16 bmse011481 1
17 bmse011481 1
18 bmse011481 1
19 bmse011481 1
20 bmse011481 1
21 bmse011481 1
22 bmse011481 1
23 bmse011481 1
24 bmse011481 1
25 bmse011481 1
26 bmse011481 1
27 bmse011481 1
28 bmse011481 1
29 bmse011481 1
30 bmse011481 1
31 bmse011481 1
32 bmse011481 1
33 bmse011481 1
34 bmse011481 1
35 bmse011481 1
36 bmse011481 1
37 bmse011481 1
38 bmse011481 1
39 bmse011481 1
40 bmse011481 1
41 bmse011481 1
42 bmse011481 1
43 bmse011481 1
44 bmse011481 1
45 bmse011481 1
46 bmse011481 1
47 bmse011481 1
48 bmse011481 1
49 bmse011481 1
50 bmse011481 1
51 bmse011481 1
52 bmse011481 1
53 bmse011481 1
54 bmse011481 1
55 bmse011481 1
56 bmse011481 1
57 bmse011481 1
58 bmse011481 1
59 bmse011481 1
60 bmse011481 1
61 bmse011481 1
62 bmse011481 1
63 bmse011481 1
64 bmse011481 1
65 bmse011481 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 2.7168 bmse011481 1
2 1 4.6500 bmse011481 1
3 1 3.4688 bmse011481 1
4 1 3.4635 bmse011481 1
5 1 3.4492 bmse011481 1
6 1 3.4386 bmse011481 1
7 1 3.4338 bmse011481 1
8 1 3.4302 bmse011481 1
9 1 3.4250 bmse011481 1
10 1 3.4192 bmse011481 1
11 1 3.4063 bmse011481 1
12 1 3.5568 bmse011481 1
13 1 3.5435 bmse011481 1
14 1 3.5361 bmse011481 1
15 1 3.5229 bmse011481 1
16 1 2.5965 bmse011481 1
17 1 2.6000 bmse011481 1
18 1 2.6031 bmse011481 1
19 1 2.6060 bmse011481 1
20 1 2.6095 bmse011481 1
21 1 2.0908 bmse011481 1
22 1 2.0835 bmse011481 1
23 1 2.0745 bmse011481 1
24 1 2.0695 bmse011481 1
25 1 2.0600 bmse011481 1
26 1 2.0463 bmse011481 1
27 1 2.0373 bmse011481 1
28 1 2.0116 bmse011481 1
29 1 2.0030 bmse011481 1
30 1 1.9986 bmse011481 1
31 1 1.9883 bmse011481 1
32 1 1.9786 bmse011481 1
33 1 1.9749 bmse011481 1
34 1 1.9658 bmse011481 1
35 1 1.9623 bmse011481 1
36 1 3.0327 bmse011481 1
37 1 1.2309 bmse011481 1
38 1 3.2945 bmse011481 1
39 1 3.2860 bmse011481 1
40 1 3.2736 bmse011481 1
41 1 3.2657 bmse011481 1
42 1 3.2584 bmse011481 1
43 1 3.2490 bmse011481 1
44 1 3.2360 bmse011481 1
45 1 3.2232 bmse011481 1
46 1 3.2182 bmse011481 1
47 1 3.2103 bmse011481 1
48 1 3.2050 bmse011481 1
49 1 3.1916 bmse011481 1
50 1 3.7538 bmse011481 1
51 1 3.7415 bmse011481 1
52 1 3.7352 bmse011481 1
53 1 3.7224 bmse011481 1
54 1 3.7096 bmse011481 1
55 1 3.6999 bmse011481 1
56 1 3.6951 bmse011481 1
57 1 3.6861 bmse011481 1
58 1 3.6793 bmse011481 1
59 1 3.6714 bmse011481 1
60 1 3.6639 bmse011481 1
61 1 3.6505 bmse011481 1
62 1 3.6421 bmse011481 1
63 1 3.6289 bmse011481 1
64 1 3.6205 bmse011481 1
65 1 3.6166 bmse011481 1
stop_
save_