#########################
# 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 bmse011674
_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 bmse011674 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 bmse011674 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011674 1
2 bmse011674 1
3 bmse011674 1
4 bmse011674 1
5 bmse011674 1
6 bmse011674 1
7 bmse011674 1
8 bmse011674 1
9 bmse011674 1
10 bmse011674 1
11 bmse011674 1
12 bmse011674 1
13 bmse011674 1
14 bmse011674 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 5.8922 m_2H_Q1 bmse011674 1
2 1 1.2147 m_6H bmse011674 1
3 1 3.2882 m_3H bmse011674 1
4 1 6.3297 m_2H bmse011674 1
5 1 1.5965 m_6H bmse011674 1
6 1 6.2195 m_1H bmse011674 1
7 1 4.1884 d_2H bmse011674 1
8 1 1.4779 m_3H bmse011674 1
9 1 7.3705 d_2H bmse011674 1
10 1 1.7218 m_6H bmse011674 1
11 1 1.0785 m_9H bmse011674 1
12 1 6.1792 d_2H bmse011674 1
13 1 2.4368 Imp1 bmse011674 1
14 1 2.6030 DMSO bmse011674 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 6.2722 bmse011674 1
2 2 1 4.0314 bmse011674 1
3 3 1 4.7003 bmse011674 1
4 4 1 2.4759 bmse011674 1
5 5 1 4.2255 bmse011674 1
6 6 1 6.5473 bmse011674 1
7 7 1 5.8321 bmse011674 1
8 8 1 4.1375 bmse011674 1
9 9 1 1.1004 bmse011674 1
10 10 1 4.0439 bmse011674 1
11 11 1 4.8555 bmse011674 1
12 12 1 2.9711 bmse011674 1
13 13 1 0.0000 bmse011674 1
14 14 1 1.7881 bmse011674 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011674 1
2 bmse011674 1
3 bmse011674 1
4 bmse011674 1
5 bmse011674 1
6 bmse011674 1
7 bmse011674 1
8 bmse011674 1
9 bmse011674 1
10 bmse011674 1
11 bmse011674 1
12 bmse011674 1
13 bmse011674 1
14 bmse011674 1
15 bmse011674 1
16 bmse011674 1
17 bmse011674 1
18 bmse011674 1
19 bmse011674 1
20 bmse011674 1
21 bmse011674 1
22 bmse011674 1
23 bmse011674 1
24 bmse011674 1
25 bmse011674 1
26 bmse011674 1
27 bmse011674 1
28 bmse011674 1
29 bmse011674 1
30 bmse011674 1
31 bmse011674 1
32 bmse011674 1
33 bmse011674 1
34 bmse011674 1
35 bmse011674 1
36 bmse011674 1
37 bmse011674 1
38 bmse011674 1
39 bmse011674 1
40 bmse011674 1
41 bmse011674 1
42 bmse011674 1
43 bmse011674 1
44 bmse011674 1
45 bmse011674 1
46 bmse011674 1
47 bmse011674 1
48 bmse011674 1
49 bmse011674 1
50 bmse011674 1
51 bmse011674 1
52 bmse011674 1
53 bmse011674 1
54 bmse011674 1
55 bmse011674 1
56 bmse011674 1
57 bmse011674 1
58 bmse011674 1
59 bmse011674 1
60 bmse011674 1
61 bmse011674 1
62 bmse011674 1
63 bmse011674 1
64 bmse011674 1
65 bmse011674 1
66 bmse011674 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 5.8975 bmse011674 1
2 1 5.8870 bmse011674 1
3 1 1.2516 bmse011674 1
4 1 1.2458 bmse011674 1
5 1 1.2397 bmse011674 1
6 1 1.2320 bmse011674 1
7 1 1.2313 bmse011674 1
8 1 1.2260 bmse011674 1
9 1 1.2205 bmse011674 1
10 1 1.2197 bmse011674 1
11 1 1.2043 bmse011674 1
12 1 1.1893 bmse011674 1
13 1 1.1836 bmse011674 1
14 1 1.1777 bmse011674 1
15 1 3.3156 bmse011674 1
16 1 3.3038 bmse011674 1
17 1 3.2967 bmse011674 1
18 1 3.2914 bmse011674 1
19 1 3.2838 bmse011674 1
20 1 3.2695 bmse011674 1
21 1 3.2677 bmse011674 1
22 1 3.2607 bmse011674 1
23 1 6.3338 bmse011674 1
24 1 6.3289 bmse011674 1
25 1 6.3256 bmse011674 1
26 1 1.6141 bmse011674 1
27 1 1.6079 bmse011674 1
28 1 1.6013 bmse011674 1
29 1 1.5916 bmse011674 1
30 1 1.5850 bmse011674 1
31 1 1.5789 bmse011674 1
32 1 6.2304 bmse011674 1
33 1 6.2207 bmse011674 1
34 1 6.2086 bmse011674 1
35 1 4.1835 bmse011674 1
36 1 4.1932 bmse011674 1
37 1 1.4951 bmse011674 1
38 1 1.4892 bmse011674 1
39 1 1.4826 bmse011674 1
40 1 1.4737 bmse011674 1
41 1 1.4669 bmse011674 1
42 1 1.4606 bmse011674 1
43 1 7.3695 bmse011674 1
44 1 7.3714 bmse011674 1
45 1 1.7353 bmse011674 1
46 1 1.7294 bmse011674 1
47 1 1.7221 bmse011674 1
48 1 1.7142 bmse011674 1
49 1 1.7083 bmse011674 1
50 1 1.1108 bmse011674 1
51 1 1.1048 bmse011674 1
52 1 1.0993 bmse011674 1
53 1 1.0923 bmse011674 1
54 1 1.0866 bmse011674 1
55 1 1.0719 bmse011674 1
56 1 1.0661 bmse011674 1
57 1 1.0518 bmse011674 1
58 1 1.0461 bmse011674 1
59 1 6.1767 bmse011674 1
60 1 6.1816 bmse011674 1
61 1 2.4368 bmse011674 1
62 1 2.5970 bmse011674 1
63 1 2.6000 bmse011674 1
64 1 2.6029 bmse011674 1
65 1 2.6060 bmse011674 1
66 1 2.6089 bmse011674 1
stop_
save_