#########################
# 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 bmse011612
_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 bmse011612 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 bmse011612 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011612 1
2 bmse011612 1
3 bmse011612 1
4 bmse011612 1
5 bmse011612 1
6 bmse011612 1
7 bmse011612 1
9 bmse011612 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 3.6150 m_1H bmse011612 1
2 1 2.6026 DMSO bmse011612 1
3 1 4.6500 SUP bmse011612 1
4 1 2.9172 m_6H bmse011612 1
5 1 3.4332 m_1H bmse011612 1
6 1 1.8566 m_2H_Q1 bmse011612 1
7 1 0.9972 dd_3H bmse011612 1
8 1 2.7197 Imp2 bmse011612 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 2.6209 bmse011612 1
2 2 1 1.9532 bmse011612 1
3 3 1 0.0000 bmse011612 1
4 4 1 6.8224 bmse011612 1
5 5 1 3.5128 bmse011612 1
6 6 1 4.8889 bmse011612 1
7 7 1 12.4344 bmse011612 1
8 7 1 6.8224 bmse011612 1
9 8 1 0.0000 bmse011612 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011612 1
2 bmse011612 1
3 bmse011612 1
4 bmse011612 1
5 bmse011612 1
6 bmse011612 1
7 bmse011612 1
8 bmse011612 1
9 bmse011612 1
10 bmse011612 1
11 bmse011612 1
12 bmse011612 1
13 bmse011612 1
14 bmse011612 1
15 bmse011612 1
16 bmse011612 1
17 bmse011612 1
18 bmse011612 1
19 bmse011612 1
20 bmse011612 1
21 bmse011612 1
22 bmse011612 1
23 bmse011612 1
24 bmse011612 1
25 bmse011612 1
26 bmse011612 1
27 bmse011612 1
28 bmse011612 1
29 bmse011612 1
30 bmse011612 1
31 bmse011612 1
32 bmse011612 1
33 bmse011612 1
34 bmse011612 1
35 bmse011612 1
36 bmse011612 1
37 bmse011612 1
38 bmse011612 1
39 bmse011612 1
40 bmse011612 1
41 bmse011612 1
42 bmse011612 1
43 bmse011612 1
44 bmse011612 1
45 bmse011612 1
46 bmse011612 1
47 bmse011612 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 3.6390 bmse011612 1
2 1 3.6351 bmse011612 1
3 1 3.6313 bmse011612 1
4 1 3.6282 bmse011612 1
5 1 3.6219 bmse011612 1
6 1 3.6185 bmse011612 1
7 1 3.6146 bmse011612 1
8 1 3.6111 bmse011612 1
9 1 3.6075 bmse011612 1
10 1 3.6018 bmse011612 1
11 1 3.5981 bmse011612 1
12 1 3.5910 bmse011612 1
13 1 2.5961 bmse011612 1
14 1 2.5996 bmse011612 1
15 1 2.6027 bmse011612 1
16 1 2.6056 bmse011612 1
17 1 2.6091 bmse011612 1
18 1 4.6500 bmse011612 1
19 1 2.9228 bmse011612 1
20 1 2.9115 bmse011612 1
21 1 3.4712 bmse011612 1
22 1 3.4633 bmse011612 1
23 1 3.4589 bmse011612 1
24 1 3.4542 bmse011612 1
25 1 3.4452 bmse011612 1
26 1 3.4375 bmse011612 1
27 1 3.4256 bmse011612 1
28 1 3.4215 bmse011612 1
29 1 3.4197 bmse011612 1
30 1 3.4159 bmse011612 1
31 1 3.4047 bmse011612 1
32 1 3.4006 bmse011612 1
33 1 3.3990 bmse011612 1
34 1 3.3951 bmse011612 1
35 1 1.8851 bmse011612 1
36 1 1.8776 bmse011612 1
37 1 1.8739 bmse011612 1
38 1 1.8680 bmse011612 1
39 1 1.8609 bmse011612 1
40 1 1.8543 bmse011612 1
41 1 1.8473 bmse011612 1
42 1 1.8281 bmse011612 1
43 1 1.0133 bmse011612 1
44 1 1.0015 bmse011612 1
45 1 0.9922 bmse011612 1
46 1 0.9812 bmse011612 1
47 1 2.7197 bmse011612 1
stop_
save_