#########################
# 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 bmse011471
_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 bmse011471 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 bmse011471 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011471 1
2 bmse011471 1
3 bmse011471 1
4 bmse011471 1
5 bmse011471 1
6 bmse011471 1
7 bmse011471 1
8 bmse011471 1
9 bmse011471 1
10 bmse011471 1
11 bmse011471 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 2.6037 DMSO bmse011471 1
2 1 7.9838 s_1H bmse011471 1
3 1 4.6500 SUP bmse011471 1
4 1 2.7173 Imp2 bmse011471 1
5 1 2.9052 m_2H bmse011471 1
6 1 1.9291 d_2H bmse011471 1
7 1 7.7810 s_1H bmse011471 1
8 1 3.6345 m_2H bmse011471 1
9 1 3.3632 m_2H bmse011471 1
10 1 1.8261 m_4H bmse011471 1
11 1 1.4954 m_6H_Q1 bmse011471 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 1.8982 bmse011471 1
2 2 1 0.0000 bmse011471 1
3 3 1 0.0000 bmse011471 1
4 4 1 0.0000 bmse011471 1
5 5 1 5.7661 bmse011471 1
6 6 1 14.5252 bmse011471 1
7 7 1 0.0000 bmse011471 1
8 8 1 2.9222 bmse011471 1
9 9 1 7.3726 bmse011471 1
10 10 1 15.6806 bmse011471 1
11 11 1 5.0968 bmse011471 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011471 1
2 bmse011471 1
3 bmse011471 1
4 bmse011471 1
5 bmse011471 1
6 bmse011471 1
7 bmse011471 1
8 bmse011471 1
9 bmse011471 1
10 bmse011471 1
11 bmse011471 1
12 bmse011471 1
13 bmse011471 1
14 bmse011471 1
15 bmse011471 1
16 bmse011471 1
17 bmse011471 1
18 bmse011471 1
19 bmse011471 1
20 bmse011471 1
21 bmse011471 1
22 bmse011471 1
23 bmse011471 1
24 bmse011471 1
25 bmse011471 1
26 bmse011471 1
27 bmse011471 1
28 bmse011471 1
29 bmse011471 1
30 bmse011471 1
31 bmse011471 1
32 bmse011471 1
33 bmse011471 1
34 bmse011471 1
35 bmse011471 1
36 bmse011471 1
37 bmse011471 1
38 bmse011471 1
39 bmse011471 1
40 bmse011471 1
41 bmse011471 1
42 bmse011471 1
43 bmse011471 1
44 bmse011471 1
45 bmse011471 1
46 bmse011471 1
47 bmse011471 1
48 bmse011471 1
49 bmse011471 1
50 bmse011471 1
51 bmse011471 1
52 bmse011471 1
53 bmse011471 1
54 bmse011471 1
55 bmse011471 1
56 bmse011471 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 2.5974 bmse011471 1
2 1 2.6005 bmse011471 1
3 1 2.6036 bmse011471 1
4 1 2.6069 bmse011471 1
5 1 2.6100 bmse011471 1
6 1 7.9838 bmse011471 1
7 1 4.6500 bmse011471 1
8 1 2.7173 bmse011471 1
9 1 2.9293 bmse011471 1
10 1 2.9243 bmse011471 1
11 1 2.9078 bmse011471 1
12 1 2.9028 bmse011471 1
13 1 2.8862 bmse011471 1
14 1 2.8812 bmse011471 1
15 1 1.9170 bmse011471 1
16 1 1.9412 bmse011471 1
17 1 7.7810 bmse011471 1
18 1 3.6564 bmse011471 1
19 1 3.6493 bmse011471 1
20 1 3.6443 bmse011471 1
21 1 3.6372 bmse011471 1
22 1 3.6304 bmse011471 1
23 1 3.6251 bmse011471 1
24 1 3.6247 bmse011471 1
25 1 3.6179 bmse011471 1
26 1 3.6170 bmse011471 1
27 1 3.6126 bmse011471 1
28 1 3.3755 bmse011471 1
29 1 3.3537 bmse011471 1
30 1 3.3509 bmse011471 1
31 1 1.8523 bmse011471 1
32 1 1.8295 bmse011471 1
33 1 1.8000 bmse011471 1
34 1 1.5888 bmse011471 1
35 1 1.5822 bmse011471 1
36 1 1.5732 bmse011471 1
37 1 1.5672 bmse011471 1
38 1 1.5615 bmse011471 1
39 1 1.5501 bmse011471 1
40 1 1.5452 bmse011471 1
41 1 1.5395 bmse011471 1
42 1 1.5266 bmse011471 1
43 1 1.5219 bmse011471 1
44 1 1.5167 bmse011471 1
45 1 1.5059 bmse011471 1
46 1 1.5008 bmse011471 1
47 1 1.4958 bmse011471 1
48 1 1.4799 bmse011471 1
49 1 1.4757 bmse011471 1
50 1 1.4709 bmse011471 1
51 1 1.4645 bmse011471 1
52 1 1.4469 bmse011471 1
53 1 1.4280 bmse011471 1
54 1 1.4231 bmse011471 1
55 1 1.4078 bmse011471 1
56 1 1.4020 bmse011471 1
stop_
save_