#########################
# 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 bmse011286
_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 bmse011286 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 bmse011286 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011286 1
2 bmse011286 1
3 bmse011286 1
4 bmse011286 1
5 bmse011286 1
6 bmse011286 1
7 bmse011286 1
8 bmse011286 1
10 bmse011286 1
11 bmse011286 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 7.2429 10,11_m bmse011286 1
2 1 2.0550 8,9_m_Q1 bmse011286 1
3 1 3.5837 6_m bmse011286 1
4 1 2.4192 9_m_Q2 bmse011286 1
5 1 7.3629 15_t bmse011286 1
6 1 2.6031 DMSO bmse011286 1
7 1 4.6500 SUP bmse011286 1
8 1 7.4427 13,14_dd bmse011286 1
9 1 2.7219 12_s bmse011286 1
10 1 3.7435 5_m_Q3 bmse011286 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 4.2365 bmse011286 1
2 2 1 165.2805 bmse011286 1
3 3 1 2.8532 bmse011286 1
4 4 1 2.4409 bmse011286 1
5 5 1 7.4277 bmse011286 1
6 6 1 1.8156 bmse011286 1
7 7 1 0.0000 bmse011286 1
8 8 1 7.7028 bmse011286 1
9 8 1 7.7028 bmse011286 1
10 9 1 0.0000 bmse011286 1
11 10 1 5.6340 bmse011286 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011286 1
2 bmse011286 1
3 bmse011286 1
4 bmse011286 1
5 bmse011286 1
6 bmse011286 1
7 bmse011286 1
8 bmse011286 1
9 bmse011286 1
10 bmse011286 1
11 bmse011286 1
12 bmse011286 1
13 bmse011286 1
14 bmse011286 1
15 bmse011286 1
16 bmse011286 1
17 bmse011286 1
18 bmse011286 1
19 bmse011286 1
20 bmse011286 1
21 bmse011286 1
22 bmse011286 1
23 bmse011286 1
24 bmse011286 1
25 bmse011286 1
26 bmse011286 1
27 bmse011286 1
28 bmse011286 1
29 bmse011286 1
30 bmse011286 1
31 bmse011286 1
32 bmse011286 1
33 bmse011286 1
34 bmse011286 1
35 bmse011286 1
36 bmse011286 1
37 bmse011286 1
38 bmse011286 1
39 bmse011286 1
40 bmse011286 1
41 bmse011286 1
42 bmse011286 1
43 bmse011286 1
44 bmse011286 1
45 bmse011286 1
46 bmse011286 1
47 bmse011286 1
48 bmse011286 1
49 bmse011286 1
50 bmse011286 1
51 bmse011286 1
52 bmse011286 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 7.2500 bmse011286 1
2 1 7.2482 bmse011286 1
3 1 7.2359 bmse011286 1
4 1 2.1927 bmse011286 1
5 1 1.9173 bmse011286 1
6 1 3.6170 bmse011286 1
7 1 3.6137 bmse011286 1
8 1 3.6122 bmse011286 1
9 1 3.6093 bmse011286 1
10 1 3.6045 bmse011286 1
11 1 3.6042 bmse011286 1
12 1 3.5981 bmse011286 1
13 1 3.5976 bmse011286 1
14 1 3.5926 bmse011286 1
15 1 3.5913 bmse011286 1
16 1 3.5867 bmse011286 1
17 1 3.5833 bmse011286 1
18 1 3.5741 bmse011286 1
19 1 3.5623 bmse011286 1
20 1 3.5504 bmse011286 1
21 1 2.4415 bmse011286 1
22 1 2.4392 bmse011286 1
23 1 2.4346 bmse011286 1
24 1 2.4326 bmse011286 1
25 1 2.4293 bmse011286 1
26 1 2.4263 bmse011286 1
27 1 2.4247 bmse011286 1
28 1 2.4162 bmse011286 1
29 1 2.4122 bmse011286 1
30 1 2.4043 bmse011286 1
31 1 2.3977 bmse011286 1
32 1 2.3968 bmse011286 1
33 1 7.3505 bmse011286 1
34 1 7.3628 bmse011286 1
35 1 7.3752 bmse011286 1
36 1 2.5970 bmse011286 1
37 1 2.6000 bmse011286 1
38 1 2.6031 bmse011286 1
39 1 2.6062 bmse011286 1
40 1 2.6091 bmse011286 1
41 1 4.6500 bmse011286 1
42 1 7.4555 bmse011286 1
43 1 7.4429 bmse011286 1
44 1 7.4429 bmse011286 1
45 1 7.4299 bmse011286 1
46 1 2.7219 bmse011286 1
47 1 3.7670 bmse011286 1
48 1 3.7589 bmse011286 1
49 1 3.7464 bmse011286 1
50 1 3.7384 bmse011286 1
51 1 3.7285 bmse011286 1
52 1 3.7200 bmse011286 1
stop_
save_