#########################
# 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 bmse011278
_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 bmse011278 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 bmse011278 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011278 1
2 bmse011278 1
3 bmse011278 1
4 bmse011278 1
5 bmse011278 1
6 bmse011278 1
7 bmse011278 1
8 bmse011278 1
9 bmse011278 1
10 bmse011278 1
11 bmse011278 1
12 bmse011278 1
14 bmse011278 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 2.7135 Imp2 bmse011278 1
2 1 6.8825 d_2H bmse011278 1
3 1 8.2676 m_1H bmse011278 1
4 1 7.0647 m_4H bmse011278 1
5 1 6.8187 m_2H bmse011278 1
6 1 7.2576 m_4H bmse011278 1
7 1 3.2701 s_2H bmse011278 1
8 1 7.1810 t_2H_Q1 bmse011278 1
9 1 1.0928 m_3H bmse011278 1
10 1 8.3499 s_1H bmse011278 1
11 1 3.5684 q_2H bmse011278 1
12 1 6.5926 dd_2H bmse011278 1
13 1 2.6032 DMSO bmse011278 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 bmse011278 1
2 2 1 2.0907 bmse011278 1
3 3 1 4.6217 bmse011278 1
4 4 1 8.7481 bmse011278 1
5 5 1 4.5666 bmse011278 1
6 6 1 3.4387 bmse011278 1
7 7 1 0.0000 bmse011278 1
8 8 1 8.0879 bmse011278 1
9 9 1 7.1526 bmse011278 1
10 10 1 0.0000 bmse011278 1
11 11 1 7.1159 bmse011278 1
12 12 1 8.0329 bmse011278 1
13 12 1 1.9807 bmse011278 1
14 13 1 1.9532 bmse011278 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011278 1
2 bmse011278 1
3 bmse011278 1
4 bmse011278 1
5 bmse011278 1
6 bmse011278 1
7 bmse011278 1
8 bmse011278 1
9 bmse011278 1
10 bmse011278 1
11 bmse011278 1
12 bmse011278 1
13 bmse011278 1
14 bmse011278 1
15 bmse011278 1
16 bmse011278 1
17 bmse011278 1
18 bmse011278 1
19 bmse011278 1
20 bmse011278 1
21 bmse011278 1
22 bmse011278 1
23 bmse011278 1
24 bmse011278 1
25 bmse011278 1
26 bmse011278 1
27 bmse011278 1
28 bmse011278 1
29 bmse011278 1
30 bmse011278 1
31 bmse011278 1
32 bmse011278 1
33 bmse011278 1
34 bmse011278 1
35 bmse011278 1
36 bmse011278 1
37 bmse011278 1
38 bmse011278 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 2.7135 bmse011278 1
2 1 6.8807 bmse011278 1
3 1 6.8842 bmse011278 1
4 1 8.2753 bmse011278 1
5 1 8.2687 bmse011278 1
6 1 8.2599 bmse011278 1
7 1 7.0793 bmse011278 1
8 1 7.0648 bmse011278 1
9 1 7.0502 bmse011278 1
10 1 6.8263 bmse011278 1
11 1 6.8129 bmse011278 1
12 1 6.8111 bmse011278 1
13 1 7.2691 bmse011278 1
14 1 7.2608 bmse011278 1
15 1 7.2573 bmse011278 1
16 1 7.2542 bmse011278 1
17 1 7.2462 bmse011278 1
18 1 3.2701 bmse011278 1
19 1 7.1675 bmse011278 1
20 1 7.1809 bmse011278 1
21 1 7.1945 bmse011278 1
22 1 1.1048 bmse011278 1
23 1 1.0928 bmse011278 1
24 1 1.0809 bmse011278 1
25 1 8.3499 bmse011278 1
26 1 3.5506 bmse011278 1
27 1 3.5625 bmse011278 1
28 1 3.5743 bmse011278 1
29 1 3.5862 bmse011278 1
30 1 6.6010 bmse011278 1
31 1 6.5975 bmse011278 1
32 1 6.5874 bmse011278 1
33 1 6.5843 bmse011278 1
34 1 2.5967 bmse011278 1
35 1 2.6001 bmse011278 1
36 1 2.6031 bmse011278 1
37 1 2.6060 bmse011278 1
38 1 2.6097 bmse011278 1
stop_
save_