#########################
# 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 bmse011035
_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 bmse011035 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 bmse011035 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011035 1
2 bmse011035 1
3 bmse011035 1
5 bmse011035 1
7 bmse011035 1
9 bmse011035 1
10 bmse011035 1
11 bmse011035 1
12 bmse011035 1
13 bmse011035 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 1.1312 11_d bmse011035 1
2 1 4.6500 SUP bmse011035 1
3 1 7.3285 7_dd_Q3 bmse011035 1
4 1 0.8500 13_dd bmse011035 1
5 1 6.7645 14_dd_Q1 bmse011035 1
6 1 1.4918 10_m bmse011035 1
7 1 7.2461 12_m bmse011035 1
8 1 3.8563 8_m bmse011035 1
9 1 2.6026 DMSO bmse011035 1
10 1 6.8090 9_d_Q2 bmse011035 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 6.6024 bmse011035 1
2 2 1 0.0000 bmse011035 1
3 3 1 7.7578 bmse011035 1
4 3 1 0.8253 bmse011035 1
5 4 1 7.4277 bmse011035 1
6 4 1 7.4277 bmse011035 1
7 5 1 7.5927 bmse011035 1
8 5 1 7.5927 bmse011035 1
9 6 1 112.0213 bmse011035 1
10 7 1 5.5386 bmse011035 1
11 8 1 7.2351 bmse011035 1
12 9 1 1.9532 bmse011035 1
13 10 1 8.2530 bmse011035 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011035 1
2 bmse011035 1
3 bmse011035 1
4 bmse011035 1
5 bmse011035 1
6 bmse011035 1
7 bmse011035 1
8 bmse011035 1
9 bmse011035 1
10 bmse011035 1
11 bmse011035 1
12 bmse011035 1
13 bmse011035 1
14 bmse011035 1
15 bmse011035 1
16 bmse011035 1
17 bmse011035 1
18 bmse011035 1
19 bmse011035 1
20 bmse011035 1
21 bmse011035 1
22 bmse011035 1
23 bmse011035 1
24 bmse011035 1
25 bmse011035 1
26 bmse011035 1
27 bmse011035 1
28 bmse011035 1
29 bmse011035 1
30 bmse011035 1
31 bmse011035 1
32 bmse011035 1
33 bmse011035 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 1.1257 bmse011035 1
2 1 1.1367 bmse011035 1
3 1 4.6500 bmse011035 1
4 1 7.3356 bmse011035 1
5 1 7.3342 bmse011035 1
6 1 7.3226 bmse011035 1
7 1 7.3213 bmse011035 1
8 1 0.8624 bmse011035 1
9 1 0.8499 bmse011035 1
10 1 0.8499 bmse011035 1
11 1 0.8376 bmse011035 1
12 1 6.7772 bmse011035 1
13 1 6.7643 bmse011035 1
14 1 6.7643 bmse011035 1
15 1 6.7519 bmse011035 1
16 1 1.5851 bmse011035 1
17 1 1.3985 bmse011035 1
18 1 7.2599 bmse011035 1
19 1 7.2462 bmse011035 1
20 1 7.2341 bmse011035 1
21 1 7.2322 bmse011035 1
22 1 3.8805 bmse011035 1
23 1 3.8673 bmse011035 1
24 1 3.8564 bmse011035 1
25 1 3.8456 bmse011035 1
26 1 3.8322 bmse011035 1
27 1 2.5961 bmse011035 1
28 1 2.5998 bmse011035 1
29 1 2.6027 bmse011035 1
30 1 2.6055 bmse011035 1
31 1 2.6091 bmse011035 1
32 1 6.8021 bmse011035 1
33 1 6.8158 bmse011035 1
stop_
save_