#########################
# 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 bmse011667
_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 bmse011667 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 bmse011667 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011667 1
2 bmse011667 1
3 bmse011667 1
4 bmse011667 1
5 bmse011667 1
6 bmse011667 1
7 bmse011667 1
8 bmse011667 1
9 bmse011667 1
10 bmse011667 1
11 bmse011667 1
12 bmse011667 1
13 bmse011667 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 3.0669 m_6H bmse011667 1
2 1 6.7233 d_2H bmse011667 1
3 1 7.1025 m_1H bmse011667 1
4 1 3.7095 m_2H bmse011667 1
5 1 2.6026 DMSO bmse011667 1
6 1 7.7022 m_1H bmse011667 1
7 1 8.1722 m_1H bmse011667 1
8 1 3.8248 t_1H bmse011667 1
9 1 7.2765 m_3H bmse011667 1
10 1 7.1529 d_1H bmse011667 1
11 1 2.7953 m_3H bmse011667 1
12 1 7.3835 m_3H_Q1 bmse011667 1
13 1 2.8888 m_2H bmse011667 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 bmse011667 1
2 2 1 7.3726 bmse011667 1
3 3 1 7.8128 bmse011667 1
4 4 1 6.1072 bmse011667 1
5 5 1 1.9532 bmse011667 1
6 6 1 3.4112 bmse011667 1
7 7 1 5.0618 bmse011667 1
8 8 1 6.5473 bmse011667 1
9 9 1 4.0915 bmse011667 1
10 10 1 6.9325 bmse011667 1
11 11 1 6.4923 bmse011667 1
12 12 1 3.5370 bmse011667 1
13 13 1 6.1072 bmse011667 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011667 1
2 bmse011667 1
3 bmse011667 1
4 bmse011667 1
5 bmse011667 1
6 bmse011667 1
7 bmse011667 1
8 bmse011667 1
9 bmse011667 1
10 bmse011667 1
11 bmse011667 1
12 bmse011667 1
13 bmse011667 1
14 bmse011667 1
15 bmse011667 1
16 bmse011667 1
17 bmse011667 1
18 bmse011667 1
19 bmse011667 1
20 bmse011667 1
21 bmse011667 1
22 bmse011667 1
23 bmse011667 1
24 bmse011667 1
25 bmse011667 1
26 bmse011667 1
27 bmse011667 1
28 bmse011667 1
29 bmse011667 1
30 bmse011667 1
31 bmse011667 1
32 bmse011667 1
33 bmse011667 1
34 bmse011667 1
35 bmse011667 1
36 bmse011667 1
37 bmse011667 1
38 bmse011667 1
39 bmse011667 1
40 bmse011667 1
41 bmse011667 1
42 bmse011667 1
43 bmse011667 1
44 bmse011667 1
45 bmse011667 1
46 bmse011667 1
47 bmse011667 1
48 bmse011667 1
49 bmse011667 1
50 bmse011667 1
51 bmse011667 1
52 bmse011667 1
53 bmse011667 1
54 bmse011667 1
55 bmse011667 1
56 bmse011667 1
57 bmse011667 1
58 bmse011667 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 3.0669 bmse011667 1
2 1 6.7172 bmse011667 1
3 1 6.7295 bmse011667 1
4 1 7.0960 bmse011667 1
5 1 7.1090 bmse011667 1
6 1 3.7197 bmse011667 1
7 1 3.7096 bmse011667 1
8 1 3.6993 bmse011667 1
9 1 2.5961 bmse011667 1
10 1 2.5996 bmse011667 1
11 1 2.6027 bmse011667 1
12 1 2.6056 bmse011667 1
13 1 2.6091 bmse011667 1
14 1 7.7164 bmse011667 1
15 1 7.7137 bmse011667 1
16 1 7.7036 bmse011667 1
17 1 7.7009 bmse011667 1
18 1 7.6908 bmse011667 1
19 1 7.6880 bmse011667 1
20 1 8.1765 bmse011667 1
21 1 8.1680 bmse011667 1
22 1 3.8139 bmse011667 1
23 1 3.8249 bmse011667 1
24 1 3.8357 bmse011667 1
25 1 7.3140 bmse011667 1
26 1 7.3043 bmse011667 1
27 1 7.3017 bmse011667 1
28 1 7.2907 bmse011667 1
29 1 7.2804 bmse011667 1
30 1 7.2775 bmse011667 1
31 1 7.2693 bmse011667 1
32 1 7.2649 bmse011667 1
33 1 7.2617 bmse011667 1
34 1 7.2518 bmse011667 1
35 1 7.2419 bmse011667 1
36 1 7.2390 bmse011667 1
37 1 7.1471 bmse011667 1
38 1 7.1587 bmse011667 1
39 1 2.8007 bmse011667 1
40 1 2.7899 bmse011667 1
41 1 7.4247 bmse011667 1
42 1 7.4141 bmse011667 1
43 1 7.4115 bmse011667 1
44 1 7.4049 bmse011667 1
45 1 7.4027 bmse011667 1
46 1 7.4000 bmse011667 1
47 1 7.3886 bmse011667 1
48 1 7.3787 bmse011667 1
49 1 7.3761 bmse011667 1
50 1 7.3673 bmse011667 1
51 1 7.3668 bmse011667 1
52 1 7.3648 bmse011667 1
53 1 7.3615 bmse011667 1
54 1 7.3549 bmse011667 1
55 1 7.3422 bmse011667 1
56 1 2.8990 bmse011667 1
57 1 2.8885 bmse011667 1
58 1 2.8786 bmse011667 1
stop_
save_