#########################
# 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 bmse011695
_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 bmse011695 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 bmse011695 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011695 1
2 bmse011695 1
3 bmse011695 1
4 bmse011695 1
5 bmse011695 1
6 bmse011695 1
7 bmse011695 1
8 bmse011695 1
9 bmse011695 1
10 bmse011695 1
11 bmse011695 1
12 bmse011695 1
13 bmse011695 1
14 bmse011695 1
15 bmse011695 1
16 bmse011695 1
17 bmse011695 1
18 bmse011695 1
19 bmse011695 1
20 bmse011695 1
21 bmse011695 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 0.9921 t_9H bmse011695 1
2 1 7.1749 m_3H bmse011695 1
3 1 0.7957 t_1H bmse011695 1
4 1 2.2412 d_6H bmse011695 1
5 1 3.2699 s_1H bmse011695 1
6 1 2.7903 s_24H bmse011695 1
7 1 2.2095 m_1H bmse011695 1
8 1 7.2180 m_3H bmse011695 1
9 1 7.4396 s_2H bmse011695 1
10 1 7.4660 m_1H bmse011695 1
11 1 2.3363 s_4H bmse011695 1
12 1 6.9319 d_1H bmse011695 1
13 1 2.4821 Imp1 bmse011695 1
14 1 2.7325 Imp2 bmse011695 1
15 1 7.1459 d_1H bmse011695 1
16 1 7.3219 m_2H bmse011695 1
17 1 7.6523 m_3H bmse011695 1
18 1 3.0372 m_18H bmse011695 1
19 1 2.6028 DMSO bmse011695 1
20 1 3.1250 q_9H_Q1 bmse011695 1
21 1 1.8111 m_9H bmse011695 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 7.2076 bmse011695 1
2 2 1 8.0329 bmse011695 1
3 3 1 7.4277 bmse011695 1
4 4 1 5.1718 bmse011695 1
5 5 1 0.0000 bmse011695 1
6 6 1 0.0000 bmse011695 1
7 7 1 7.8128 bmse011695 1
8 8 1 8.4730 bmse011695 1
9 9 1 0.0000 bmse011695 1
10 10 1 7.4827 bmse011695 1
11 11 1 0.0000 bmse011695 1
12 12 1 5.0618 bmse011695 1
13 13 1 0.0000 bmse011695 1
14 14 1 0.0000 bmse011695 1
15 15 1 5.7220 bmse011695 1
16 16 1 4.2915 bmse011695 1
17 17 1 4.1448 bmse011695 1
18 18 1 4.1485 bmse011695 1
19 19 1 1.8982 bmse011695 1
20 20 1 6.4923 bmse011695 1
21 21 1 7.2901 bmse011695 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011695 1
2 bmse011695 1
3 bmse011695 1
4 bmse011695 1
5 bmse011695 1
6 bmse011695 1
7 bmse011695 1
8 bmse011695 1
9 bmse011695 1
10 bmse011695 1
11 bmse011695 1
12 bmse011695 1
13 bmse011695 1
14 bmse011695 1
15 bmse011695 1
16 bmse011695 1
17 bmse011695 1
18 bmse011695 1
19 bmse011695 1
20 bmse011695 1
21 bmse011695 1
22 bmse011695 1
23 bmse011695 1
24 bmse011695 1
25 bmse011695 1
26 bmse011695 1
27 bmse011695 1
28 bmse011695 1
29 bmse011695 1
30 bmse011695 1
31 bmse011695 1
32 bmse011695 1
33 bmse011695 1
34 bmse011695 1
35 bmse011695 1
36 bmse011695 1
37 bmse011695 1
38 bmse011695 1
39 bmse011695 1
40 bmse011695 1
41 bmse011695 1
42 bmse011695 1
43 bmse011695 1
44 bmse011695 1
45 bmse011695 1
46 bmse011695 1
47 bmse011695 1
48 bmse011695 1
49 bmse011695 1
50 bmse011695 1
51 bmse011695 1
52 bmse011695 1
53 bmse011695 1
54 bmse011695 1
55 bmse011695 1
56 bmse011695 1
57 bmse011695 1
58 bmse011695 1
59 bmse011695 1
60 bmse011695 1
61 bmse011695 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 0.9801 bmse011695 1
2 1 0.9920 bmse011695 1
3 1 1.0041 bmse011695 1
4 1 7.1682 bmse011695 1
5 1 7.1816 bmse011695 1
6 1 0.7834 bmse011695 1
7 1 0.7956 bmse011695 1
8 1 0.8081 bmse011695 1
9 1 2.2369 bmse011695 1
10 1 2.2456 bmse011695 1
11 1 3.2699 bmse011695 1
12 1 2.7903 bmse011695 1
13 1 2.2160 bmse011695 1
14 1 2.2030 bmse011695 1
15 1 7.2110 bmse011695 1
16 1 7.2251 bmse011695 1
17 1 7.4396 bmse011695 1
18 1 7.4722 bmse011695 1
19 1 7.4598 bmse011695 1
20 1 2.3363 bmse011695 1
21 1 6.9277 bmse011695 1
22 1 6.9361 bmse011695 1
23 1 2.4821 bmse011695 1
24 1 2.7325 bmse011695 1
25 1 7.1411 bmse011695 1
26 1 7.1506 bmse011695 1
27 1 7.3290 bmse011695 1
28 1 7.3230 bmse011695 1
29 1 7.3147 bmse011695 1
30 1 7.6730 bmse011695 1
31 1 7.6695 bmse011695 1
32 1 7.6622 bmse011695 1
33 1 7.6587 bmse011695 1
34 1 7.6455 bmse011695 1
35 1 7.6433 bmse011695 1
36 1 7.6316 bmse011695 1
37 1 3.0717 bmse011695 1
38 1 3.0636 bmse011695 1
39 1 3.0585 bmse011695 1
40 1 3.0581 bmse011695 1
41 1 3.0541 bmse011695 1
42 1 3.0451 bmse011695 1
43 1 3.0358 bmse011695 1
44 1 3.0268 bmse011695 1
45 1 3.0235 bmse011695 1
46 1 3.0145 bmse011695 1
47 1 3.0026 bmse011695 1
48 1 2.5965 bmse011695 1
49 1 2.6000 bmse011695 1
50 1 2.6031 bmse011695 1
51 1 2.6062 bmse011695 1
52 1 2.6091 bmse011695 1
53 1 3.1087 bmse011695 1
54 1 3.1196 bmse011695 1
55 1 3.1302 bmse011695 1
56 1 3.1412 bmse011695 1
57 1 1.8354 bmse011695 1
58 1 1.8240 bmse011695 1
59 1 1.8107 bmse011695 1
60 1 1.7975 bmse011695 1
61 1 1.7868 bmse011695 1
stop_
save_