#########################
# 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 bmse011503
_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 bmse011503 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 bmse011503 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011503 1
2 bmse011503 1
3 bmse011503 1
4 bmse011503 1
5 bmse011503 1
6 bmse011503 1
7 bmse011503 1
8 bmse011503 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 bmse011503 1
2 1 3.4474 4,6_m_Q2 bmse011503 1
3 1 0.8470 14_m bmse011503 1
4 1 1.6572 11,13_m bmse011503 1
5 1 3.0871 4_m_Q1 bmse011503 1
6 1 1.0247 12_m bmse011503 1
7 1 2.6254 DMSO_6,7_m bmse011503 1
8 1 3.7749 7_m_Q3 bmse011503 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 bmse011503 1
2 2 1 94.1958 bmse011503 1
3 3 1 6.6024 bmse011503 1
4 4 1 145.8503 bmse011503 1
5 5 1 5.8101 bmse011503 1
6 6 1 117.3498 bmse011503 1
7 7 1 90.4006 bmse011503 1
8 8 1 2.5309 bmse011503 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011503 1
2 bmse011503 1
3 bmse011503 1
4 bmse011503 1
5 bmse011503 1
6 bmse011503 1
7 bmse011503 1
8 bmse011503 1
9 bmse011503 1
10 bmse011503 1
11 bmse011503 1
12 bmse011503 1
13 bmse011503 1
14 bmse011503 1
15 bmse011503 1
16 bmse011503 1
17 bmse011503 1
18 bmse011503 1
19 bmse011503 1
20 bmse011503 1
21 bmse011503 1
22 bmse011503 1
23 bmse011503 1
24 bmse011503 1
25 bmse011503 1
26 bmse011503 1
27 bmse011503 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 bmse011503 1
2 1 3.5259 bmse011503 1
3 1 3.3690 bmse011503 1
4 1 0.8525 bmse011503 1
5 1 0.8415 bmse011503 1
6 1 1.7787 bmse011503 1
7 1 1.5357 bmse011503 1
8 1 3.1113 bmse011503 1
9 1 3.1069 bmse011503 1
10 1 3.0889 bmse011503 1
11 1 3.0851 bmse011503 1
12 1 3.0677 bmse011503 1
13 1 3.0629 bmse011503 1
14 1 1.1224 bmse011503 1
15 1 0.9269 bmse011503 1
16 1 2.7007 bmse011503 1
17 1 2.5501 bmse011503 1
18 1 3.7939 bmse011503 1
19 1 3.7895 bmse011503 1
20 1 3.7868 bmse011503 1
21 1 3.7835 bmse011503 1
22 1 3.7789 bmse011503 1
23 1 3.7714 bmse011503 1
24 1 3.7664 bmse011503 1
25 1 3.7633 bmse011503 1
26 1 3.7605 bmse011503 1
27 1 3.7560 bmse011503 1
stop_
save_