#########################
# 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 bmse011603
_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 bmse011603 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 bmse011603 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011603 1
3 bmse011603 1
4 bmse011603 1
5 bmse011603 1
6 bmse011603 1
7 bmse011603 1
8 bmse011603 1
9 bmse011603 1
10 bmse011603 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 2.7212 9_dd_Q2 bmse011603 1
2 1 4.6500 SUP bmse011603 1
3 1 1.0682 13,14_d bmse011603 1
4 1 1.9162 8_quint_Q1 bmse011603 1
5 1 3.2757 5,12_m bmse011603 1
6 1 3.8941 11_m bmse011603 1
7 1 2.6026 DMSO bmse011603 1
8 1 2.9014 7_m_Q3 bmse011603 1
9 1 3.1826 10_s bmse011603 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 5.7771 bmse011603 1
2 1 1 5.7771 bmse011603 1
3 2 1 0.0000 bmse011603 1
4 3 1 6.7124 bmse011603 1
5 4 1 5.6945 bmse011603 1
6 5 1 62.9308 bmse011603 1
7 6 1 4.1705 bmse011603 1
8 7 1 1.9532 bmse011603 1
9 8 1 5.2819 bmse011603 1
10 9 1 0.0000 bmse011603 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011603 1
2 bmse011603 1
3 bmse011603 1
4 bmse011603 1
5 bmse011603 1
6 bmse011603 1
7 bmse011603 1
8 bmse011603 1
9 bmse011603 1
10 bmse011603 1
11 bmse011603 1
12 bmse011603 1
13 bmse011603 1
14 bmse011603 1
15 bmse011603 1
16 bmse011603 1
17 bmse011603 1
18 bmse011603 1
19 bmse011603 1
20 bmse011603 1
21 bmse011603 1
22 bmse011603 1
23 bmse011603 1
24 bmse011603 1
25 bmse011603 1
26 bmse011603 1
27 bmse011603 1
28 bmse011603 1
29 bmse011603 1
30 bmse011603 1
31 bmse011603 1
32 bmse011603 1
33 bmse011603 1
34 bmse011603 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 2.7309 bmse011603 1
2 1 2.7213 bmse011603 1
3 1 2.7213 bmse011603 1
4 1 2.7116 bmse011603 1
5 1 4.6500 bmse011603 1
6 1 1.0626 bmse011603 1
7 1 1.0738 bmse011603 1
8 1 1.8972 bmse011603 1
9 1 1.9067 bmse011603 1
10 1 1.9161 bmse011603 1
11 1 1.9254 bmse011603 1
12 1 1.9351 bmse011603 1
13 1 3.3282 bmse011603 1
14 1 3.2233 bmse011603 1
15 1 3.9289 bmse011603 1
16 1 3.9173 bmse011603 1
17 1 3.9061 bmse011603 1
18 1 3.9026 bmse011603 1
19 1 3.8951 bmse011603 1
20 1 3.8926 bmse011603 1
21 1 3.8841 bmse011603 1
22 1 3.8814 bmse011603 1
23 1 3.8735 bmse011603 1
24 1 3.8704 bmse011603 1
25 1 3.8594 bmse011603 1
26 1 2.5961 bmse011603 1
27 1 2.5998 bmse011603 1
28 1 2.6027 bmse011603 1
29 1 2.6056 bmse011603 1
30 1 2.6091 bmse011603 1
31 1 2.9102 bmse011603 1
32 1 2.9012 bmse011603 1
33 1 2.8926 bmse011603 1
34 1 3.1826 bmse011603 1
stop_
save_