#########################
# 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 bmse011648
_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 bmse011648 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 bmse011648 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011648 1
2 bmse011648 1
3 bmse011648 1
4 bmse011648 1
5 bmse011648 1
6 bmse011648 1
9 bmse011648 1
10 bmse011648 1
11 bmse011648 1
12 bmse011648 1
13 bmse011648 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 2.0912 6,7,10_m bmse011648 1
2 1 3.3929 13_m bmse011648 1
3 1 4.6500 SUP bmse011648 1
4 1 3.3091 14_s bmse011648 1
5 1 2.6335 DMSO_3_m bmse011648 1
6 1 1.5566 6_ddd_Q2 bmse011648 1
7 1 3.1241 3_m_Q3 bmse011648 1
8 1 3.6463 12,13_m bmse011648 1
9 1 3.9752 9_m bmse011648 1
10 1 3.2204 4,12_m bmse011648 1
11 1 1.4341 7_ddd_Q1 bmse011648 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 1 128.7964 bmse011648 1
2 2 1 3.9394 bmse011648 1
3 3 1 0.0000 bmse011648 1
4 4 1 0.0000 bmse011648 1
5 5 1 129.6335 bmse011648 1
6 6 1 24.7864 bmse011648 1
7 6 1 12.5720 bmse011648 1
8 6 1 4.5391 bmse011648 1
9 7 1 7.4277 bmse011648 1
10 8 1 58.4011 bmse011648 1
11 9 1 3.6753 bmse011648 1
12 10 1 33.9120 bmse011648 1
13 11 1 24.8414 bmse011648 1
14 11 1 12.5170 bmse011648 1
15 11 1 4.4291 bmse011648 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011648 1
2 bmse011648 1
3 bmse011648 1
4 bmse011648 1
5 bmse011648 1
6 bmse011648 1
7 bmse011648 1
8 bmse011648 1
9 bmse011648 1
10 bmse011648 1
11 bmse011648 1
12 bmse011648 1
13 bmse011648 1
14 bmse011648 1
15 bmse011648 1
16 bmse011648 1
17 bmse011648 1
18 bmse011648 1
19 bmse011648 1
20 bmse011648 1
21 bmse011648 1
22 bmse011648 1
23 bmse011648 1
24 bmse011648 1
25 bmse011648 1
26 bmse011648 1
27 bmse011648 1
28 bmse011648 1
29 bmse011648 1
30 bmse011648 1
31 bmse011648 1
32 bmse011648 1
33 bmse011648 1
34 bmse011648 1
35 bmse011648 1
36 bmse011648 1
37 bmse011648 1
38 bmse011648 1
39 bmse011648 1
40 bmse011648 1
41 bmse011648 1
42 bmse011648 1
43 bmse011648 1
44 bmse011648 1
45 bmse011648 1
46 bmse011648 1
47 bmse011648 1
48 bmse011648 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 2.1985 bmse011648 1
2 1 1.9839 bmse011648 1
3 1 3.4258 bmse011648 1
4 1 3.4144 bmse011648 1
5 1 3.4137 bmse011648 1
6 1 3.4067 bmse011648 1
7 1 3.3997 bmse011648 1
8 1 3.3939 bmse011648 1
9 1 3.3869 bmse011648 1
10 1 3.3799 bmse011648 1
11 1 3.3742 bmse011648 1
12 1 3.3673 bmse011648 1
13 1 3.3601 bmse011648 1
14 1 4.6500 bmse011648 1
15 1 3.3091 bmse011648 1
16 1 2.7415 bmse011648 1
17 1 2.5255 bmse011648 1
18 1 1.5916 bmse011648 1
19 1 1.5839 bmse011648 1
20 1 1.5707 bmse011648 1
21 1 1.5630 bmse011648 1
22 1 1.5501 bmse011648 1
23 1 1.5428 bmse011648 1
24 1 1.5292 bmse011648 1
25 1 1.5217 bmse011648 1
26 1 3.1489 bmse011648 1
27 1 3.1445 bmse011648 1
28 1 3.1240 bmse011648 1
29 1 3.1038 bmse011648 1
30 1 3.0994 bmse011648 1
31 1 3.6949 bmse011648 1
32 1 3.5976 bmse011648 1
33 1 3.9905 bmse011648 1
34 1 3.9872 bmse011648 1
35 1 3.9837 bmse011648 1
36 1 3.9664 bmse011648 1
37 1 3.9628 bmse011648 1
38 1 3.9598 bmse011648 1
39 1 3.2487 bmse011648 1
40 1 3.1922 bmse011648 1
41 1 1.4689 bmse011648 1
42 1 1.4616 bmse011648 1
43 1 1.4480 bmse011648 1
44 1 1.4407 bmse011648 1
45 1 1.4275 bmse011648 1
46 1 1.4201 bmse011648 1
47 1 1.4067 bmse011648 1
48 1 1.3992 bmse011648 1
stop_
save_