#########################
# 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 bmse011631
_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 bmse011631 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 bmse011631 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011631 1
2 bmse011631 1
3 bmse011631 1
4 bmse011631 1
5 bmse011631 1
6 bmse011631 1
7 bmse011631 1
8 bmse011631 1
9 bmse011631 1
10 bmse011631 1
11 bmse011631 1
13 bmse011631 1
14 bmse011631 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 2.8363 10_m_Q1 bmse011631 1
2 1 3.1263 8_m bmse011631 1
3 1 1.5694 13_m bmse011631 1
4 1 3.9537 10_m bmse011631 1
5 1 3.2776 9_m bmse011631 1
6 1 4.6500 SUP bmse011631 1
7 1 2.0708 12,15_m bmse011631 1
8 1 7.6720 2_d_Q3 bmse011631 1
9 1 2.6024 DMSO bmse011631 1
10 1 1.6614 13_m bmse011631 1
11 1 7.0782 17_dd_Q2 bmse011631 1
12 1 7.4307 14_d bmse011631 1
13 1 7.1553 16,18_m bmse011631 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 5.6780 bmse011631 1
2 2 1 3.4601 bmse011631 1
3 3 1 6.0364 bmse011631 1
4 4 1 2.8427 bmse011631 1
5 5 1 4.8417 bmse011631 1
6 6 1 0.0000 bmse011631 1
7 7 1 96.8639 bmse011631 1
8 8 1 8.0329 bmse011631 1
9 9 1 1.9532 bmse011631 1
10 10 1 6.0364 bmse011631 1
11 11 1 7.3726 bmse011631 1
12 11 1 7.3726 bmse011631 1
13 12 1 8.0329 bmse011631 1
14 13 1 57.6923 bmse011631 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011631 1
2 bmse011631 1
3 bmse011631 1
4 bmse011631 1
5 bmse011631 1
6 bmse011631 1
7 bmse011631 1
8 bmse011631 1
9 bmse011631 1
10 bmse011631 1
11 bmse011631 1
12 bmse011631 1
13 bmse011631 1
14 bmse011631 1
15 bmse011631 1
16 bmse011631 1
17 bmse011631 1
18 bmse011631 1
19 bmse011631 1
20 bmse011631 1
21 bmse011631 1
22 bmse011631 1
23 bmse011631 1
24 bmse011631 1
25 bmse011631 1
26 bmse011631 1
27 bmse011631 1
28 bmse011631 1
29 bmse011631 1
30 bmse011631 1
31 bmse011631 1
32 bmse011631 1
33 bmse011631 1
34 bmse011631 1
35 bmse011631 1
36 bmse011631 1
37 bmse011631 1
38 bmse011631 1
39 bmse011631 1
40 bmse011631 1
41 bmse011631 1
42 bmse011631 1
43 bmse011631 1
44 bmse011631 1
45 bmse011631 1
46 bmse011631 1
47 bmse011631 1
48 bmse011631 1
49 bmse011631 1
50 bmse011631 1
51 bmse011631 1
52 bmse011631 1
53 bmse011631 1
54 bmse011631 1
55 bmse011631 1
56 bmse011631 1
57 bmse011631 1
58 bmse011631 1
59 bmse011631 1
60 bmse011631 1
61 bmse011631 1
62 bmse011631 1
63 bmse011631 1
64 bmse011631 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 2.8599 bmse011631 1
2 1 2.8557 bmse011631 1
3 1 2.8385 bmse011631 1
4 1 2.8341 bmse011631 1
5 1 2.8170 bmse011631 1
6 1 2.8126 bmse011631 1
7 1 3.1522 bmse011631 1
8 1 3.1460 bmse011631 1
9 1 3.1399 bmse011631 1
10 1 3.1322 bmse011631 1
11 1 3.1262 bmse011631 1
12 1 3.1201 bmse011631 1
13 1 3.1197 bmse011631 1
14 1 3.1126 bmse011631 1
15 1 3.1064 bmse011631 1
16 1 3.1003 bmse011631 1
17 1 1.6046 bmse011631 1
18 1 1.5976 bmse011631 1
19 1 1.5831 bmse011631 1
20 1 1.5765 bmse011631 1
21 1 1.5622 bmse011631 1
22 1 1.5554 bmse011631 1
23 1 1.5413 bmse011631 1
24 1 1.5342 bmse011631 1
25 1 3.9679 bmse011631 1
26 1 3.9652 bmse011631 1
27 1 3.9620 bmse011631 1
28 1 3.9580 bmse011631 1
29 1 3.9454 bmse011631 1
30 1 3.9421 bmse011631 1
31 1 3.9395 bmse011631 1
32 1 3.3018 bmse011631 1
33 1 3.2974 bmse011631 1
34 1 3.2793 bmse011631 1
35 1 3.2756 bmse011631 1
36 1 3.2699 bmse011631 1
37 1 3.2578 bmse011631 1
38 1 3.2534 bmse011631 1
39 1 4.6500 bmse011631 1
40 1 2.1515 bmse011631 1
41 1 1.9901 bmse011631 1
42 1 7.6653 bmse011631 1
43 1 7.6787 bmse011631 1
44 1 2.5959 bmse011631 1
45 1 2.5996 bmse011631 1
46 1 2.6025 bmse011631 1
47 1 2.6055 bmse011631 1
48 1 2.6089 bmse011631 1
49 1 1.6966 bmse011631 1
50 1 1.6896 bmse011631 1
51 1 1.6752 bmse011631 1
52 1 1.6686 bmse011631 1
53 1 1.6543 bmse011631 1
54 1 1.6477 bmse011631 1
55 1 1.6332 bmse011631 1
56 1 1.6262 bmse011631 1
57 1 7.0905 bmse011631 1
58 1 7.0780 bmse011631 1
59 1 7.0780 bmse011631 1
60 1 7.0659 bmse011631 1
61 1 7.4240 bmse011631 1
62 1 7.4374 bmse011631 1
63 1 7.2034 bmse011631 1
64 1 7.1072 bmse011631 1
stop_
save_