#########################
# 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 bmse011594
_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 bmse011594 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 bmse011594 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011594 1
3 bmse011594 1
4 bmse011594 1
5 bmse011594 1
6 bmse011594 1
7 bmse011594 1
9 bmse011594 1
10 bmse011594 1
11 bmse011594 1
12 bmse011594 1
14 bmse011594 1
15 bmse011594 1
16 bmse011594 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 6.8320 dd_1H bmse011594 1
2 1 2.6027 DMSO bmse011594 1
3 1 3.8249 m_3H_Q1 bmse011594 1
4 1 7.6855 m_1H bmse011594 1
5 1 2.9627 m_1H bmse011594 1
6 1 8.0291 dd_1H bmse011594 1
7 1 3.5304 m_2H bmse011594 1
8 1 2.7164 Imp2 bmse011594 1
9 1 4.6500 SUP bmse011594 1
10 1 4.0133 dd_1H bmse011594 1
11 1 3.6801 m_1H bmse011594 1
12 1 3.3267 s_3H bmse011594 1
13 1 6.9192 m_1H bmse011594 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 6.9325 bmse011594 1
2 1 1 5.6120 bmse011594 1
3 2 1 1.8156 bmse011594 1
4 3 1 3.4846 bmse011594 1
5 4 1 2.9711 bmse011594 1
6 5 1 5.6560 bmse011594 1
7 6 1 5.2269 bmse011594 1
8 6 1 1.2655 bmse011594 1
9 7 1 6.2722 bmse011594 1
10 8 1 0.0000 bmse011594 1
11 9 1 0.0000 bmse011594 1
12 10 1 10.0136 bmse011594 1
13 10 1 1.7606 bmse011594 1
14 11 1 5.2599 bmse011594 1
15 12 1 0.0000 bmse011594 1
16 13 1 8.8031 bmse011594 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011594 1
2 bmse011594 1
3 bmse011594 1
4 bmse011594 1
5 bmse011594 1
6 bmse011594 1
7 bmse011594 1
8 bmse011594 1
9 bmse011594 1
10 bmse011594 1
11 bmse011594 1
12 bmse011594 1
13 bmse011594 1
14 bmse011594 1
15 bmse011594 1
16 bmse011594 1
17 bmse011594 1
18 bmse011594 1
19 bmse011594 1
20 bmse011594 1
21 bmse011594 1
22 bmse011594 1
23 bmse011594 1
24 bmse011594 1
25 bmse011594 1
26 bmse011594 1
27 bmse011594 1
28 bmse011594 1
29 bmse011594 1
30 bmse011594 1
31 bmse011594 1
32 bmse011594 1
33 bmse011594 1
34 bmse011594 1
35 bmse011594 1
36 bmse011594 1
37 bmse011594 1
38 bmse011594 1
39 bmse011594 1
40 bmse011594 1
41 bmse011594 1
42 bmse011594 1
43 bmse011594 1
44 bmse011594 1
45 bmse011594 1
46 bmse011594 1
47 bmse011594 1
48 bmse011594 1
49 bmse011594 1
50 bmse011594 1
51 bmse011594 1
52 bmse011594 1
53 bmse011594 1
54 bmse011594 1
55 bmse011594 1
56 bmse011594 1
57 bmse011594 1
58 bmse011594 1
59 bmse011594 1
60 bmse011594 1
61 bmse011594 1
62 bmse011594 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 6.8424 bmse011594 1
2 1 6.8329 bmse011594 1
3 1 6.8307 bmse011594 1
4 1 6.8215 bmse011594 1
5 1 2.5967 bmse011594 1
6 1 2.5996 bmse011594 1
7 1 2.6027 bmse011594 1
8 1 2.6058 bmse011594 1
9 1 2.6088 bmse011594 1
10 1 3.8597 bmse011594 1
11 1 3.8563 bmse011594 1
12 1 3.8559 bmse011594 1
13 1 3.8379 bmse011594 1
14 1 3.8352 bmse011594 1
15 1 3.8278 bmse011594 1
16 1 3.8223 bmse011594 1
17 1 3.8176 bmse011594 1
18 1 3.8126 bmse011594 1
19 1 3.8053 bmse011594 1
20 1 3.7996 bmse011594 1
21 1 3.7952 bmse011594 1
22 1 3.7901 bmse011594 1
23 1 7.7003 bmse011594 1
24 1 7.6972 bmse011594 1
25 1 7.6882 bmse011594 1
26 1 7.6855 bmse011594 1
27 1 7.6827 bmse011594 1
28 1 7.6737 bmse011594 1
29 1 7.6706 bmse011594 1
30 1 2.9863 bmse011594 1
31 1 2.9802 bmse011594 1
32 1 2.9663 bmse011594 1
33 1 2.9604 bmse011594 1
34 1 2.9450 bmse011594 1
35 1 2.9392 bmse011594 1
36 1 8.0345 bmse011594 1
37 1 8.0325 bmse011594 1
38 1 8.0259 bmse011594 1
39 1 8.0237 bmse011594 1
40 1 3.5669 bmse011594 1
41 1 3.5614 bmse011594 1
42 1 3.5486 bmse011594 1
43 1 3.5433 bmse011594 1
44 1 3.5229 bmse011594 1
45 1 3.5119 bmse011594 1
46 1 3.5046 bmse011594 1
47 1 3.4938 bmse011594 1
48 1 2.7164 bmse011594 1
49 1 4.6500 bmse011594 1
50 1 4.0231 bmse011594 1
51 1 4.0196 bmse011594 1
52 1 4.0059 bmse011594 1
53 1 4.0035 bmse011594 1
54 1 3.7021 bmse011594 1
55 1 3.6975 bmse011594 1
56 1 3.6824 bmse011594 1
57 1 3.6779 bmse011594 1
58 1 3.6628 bmse011594 1
59 1 3.6582 bmse011594 1
60 1 3.3267 bmse011594 1
61 1 6.9119 bmse011594 1
62 1 6.9266 bmse011594 1
stop_
save_