#########################
# 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 bmse011360
_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 bmse011360 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 bmse011360 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011360 1
2 bmse011360 1
3 bmse011360 1
4 bmse011360 1
5 bmse011360 1
6 bmse011360 1
7 bmse011360 1
9 bmse011360 1
11 bmse011360 1
13 bmse011360 1
15 bmse011360 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 4.6500 SUP bmse011360 1
2 1 8.0647 m_1H bmse011360 1
3 1 2.6032 DMSO bmse011360 1
4 1 8.3042 d_1H bmse011360 1
5 1 8.6335 s_1H bmse011360 1
6 1 2.7175 Imp2 bmse011360 1
7 1 8.7907 dd_1H_Q1 bmse011360 1
8 1 8.9947 dd_1H bmse011360 1
9 1 7.2596 dd_1H bmse011360 1
10 1 7.4614 dd_1H bmse011360 1
11 1 8.7210 d_1H bmse011360 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 bmse011360 1
2 2 1 2.8977 bmse011360 1
3 3 1 2.0082 bmse011360 1
4 4 1 4.7317 bmse011360 1
5 5 1 0.0000 bmse011360 1
6 6 1 0.0000 bmse011360 1
7 7 1 4.2365 bmse011360 1
8 7 1 1.4855 bmse011360 1
9 8 1 7.0425 bmse011360 1
10 8 1 1.5406 bmse011360 1
11 9 1 7.0425 bmse011360 1
12 9 1 4.2915 bmse011360 1
13 10 1 8.1979 bmse011360 1
14 10 1 5.0068 bmse011360 1
15 11 1 1.7606 bmse011360 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011360 1
2 bmse011360 1
3 bmse011360 1
4 bmse011360 1
5 bmse011360 1
6 bmse011360 1
7 bmse011360 1
8 bmse011360 1
9 bmse011360 1
10 bmse011360 1
11 bmse011360 1
12 bmse011360 1
13 bmse011360 1
14 bmse011360 1
15 bmse011360 1
16 bmse011360 1
17 bmse011360 1
18 bmse011360 1
19 bmse011360 1
20 bmse011360 1
21 bmse011360 1
22 bmse011360 1
23 bmse011360 1
24 bmse011360 1
25 bmse011360 1
26 bmse011360 1
27 bmse011360 1
28 bmse011360 1
29 bmse011360 1
30 bmse011360 1
31 bmse011360 1
32 bmse011360 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 4.6500 bmse011360 1
2 1 8.0720 bmse011360 1
3 1 8.0609 bmse011360 1
4 1 8.0584 bmse011360 1
5 1 8.0575 bmse011360 1
6 1 2.5965 bmse011360 1
7 1 2.6003 bmse011360 1
8 1 2.6031 bmse011360 1
9 1 2.6058 bmse011360 1
10 1 2.6099 bmse011360 1
11 1 8.3002 bmse011360 1
12 1 8.3081 bmse011360 1
13 1 8.6335 bmse011360 1
14 1 2.7175 bmse011360 1
15 1 8.7954 bmse011360 1
16 1 8.7931 bmse011360 1
17 1 8.7885 bmse011360 1
18 1 8.7859 bmse011360 1
19 1 9.0019 bmse011360 1
20 1 8.9993 bmse011360 1
21 1 8.9902 bmse011360 1
22 1 8.9876 bmse011360 1
23 1 7.2691 bmse011360 1
24 1 7.2619 bmse011360 1
25 1 7.2573 bmse011360 1
26 1 7.2502 bmse011360 1
27 1 7.4724 bmse011360 1
28 1 7.4640 bmse011360 1
29 1 7.4587 bmse011360 1
30 1 7.4504 bmse011360 1
31 1 8.7195 bmse011360 1
32 1 8.7225 bmse011360 1
stop_
save_