#########################
# 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 bmse011030
_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 bmse011030 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 bmse011030 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011030 1
2 bmse011030 1
3 bmse011030 1
4 bmse011030 1
6 bmse011030 1
7 bmse011030 1
8 bmse011030 1
9 bmse011030 1
10 bmse011030 1
11 bmse011030 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 3.3292 10_m bmse011030 1
2 1 4.6500 SUP bmse011030 1
3 1 6.7992 3_s bmse011030 1
4 1 3.4908 12_dd_Q3 bmse011030 1
5 1 3.8086 13_m bmse011030 1
6 1 3.7040 12_m bmse011030 1
7 1 1.6235 15_m bmse011030 1
8 1 2.0247 11_m_Q1 bmse011030 1
9 1 2.2687 14_s_Q2 bmse011030 1
10 1 2.5807 DMSO_Imp1_15 bmse011030 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 6.7124 bmse011030 1
2 2 1 0.0000 bmse011030 1
3 3 1 0.0000 bmse011030 1
4 4 1 8.7481 bmse011030 1
5 4 1 5.7771 bmse011030 1
6 5 1 58.6976 bmse011030 1
7 6 1 7.7394 bmse011030 1
8 7 1 6.8004 bmse011030 1
9 8 1 3.8025 bmse011030 1
10 9 1 0.0000 bmse011030 1
11 10 1 143.2534 bmse011030 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011030 1
2 bmse011030 1
3 bmse011030 1
4 bmse011030 1
5 bmse011030 1
6 bmse011030 1
7 bmse011030 1
8 bmse011030 1
9 bmse011030 1
10 bmse011030 1
11 bmse011030 1
12 bmse011030 1
13 bmse011030 1
14 bmse011030 1
15 bmse011030 1
16 bmse011030 1
17 bmse011030 1
18 bmse011030 1
19 bmse011030 1
20 bmse011030 1
21 bmse011030 1
22 bmse011030 1
23 bmse011030 1
24 bmse011030 1
25 bmse011030 1
26 bmse011030 1
27 bmse011030 1
28 bmse011030 1
29 bmse011030 1
30 bmse011030 1
31 bmse011030 1
32 bmse011030 1
33 bmse011030 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 3.3348 bmse011030 1
2 1 3.3236 bmse011030 1
3 1 4.6500 bmse011030 1
4 1 6.7992 bmse011030 1
5 1 3.5029 bmse011030 1
6 1 3.4934 bmse011030 1
7 1 3.4885 bmse011030 1
8 1 3.4787 bmse011030 1
9 1 3.8575 bmse011030 1
10 1 3.7597 bmse011030 1
11 1 3.7233 bmse011030 1
12 1 3.7107 bmse011030 1
13 1 3.6980 bmse011030 1
14 1 3.6846 bmse011030 1
15 1 1.6519 bmse011030 1
16 1 1.6401 bmse011030 1
17 1 1.6299 bmse011030 1
18 1 1.6174 bmse011030 1
19 1 1.6068 bmse011030 1
20 1 1.5952 bmse011030 1
21 1 2.0532 bmse011030 1
22 1 2.0437 bmse011030 1
23 1 2.0400 bmse011030 1
24 1 2.0310 bmse011030 1
25 1 2.0270 bmse011030 1
26 1 2.0226 bmse011030 1
27 1 2.0186 bmse011030 1
28 1 2.0096 bmse011030 1
29 1 2.0059 bmse011030 1
30 1 1.9962 bmse011030 1
31 1 2.2687 bmse011030 1
32 1 2.7000 bmse011030 1
33 1 2.4613 bmse011030 1
stop_
save_