#########################
# 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 bmse011422
_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 bmse011422 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 bmse011422 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011422 1
2 bmse011422 1
3 bmse011422 1
4 bmse011422 1
5 bmse011422 1
6 bmse011422 1
7 bmse011422 1
9 bmse011422 1
10 bmse011422 1
11 bmse011422 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 8.7851 m_1H bmse011422 1
2 1 3.7805 m_3H_Q1 bmse011422 1
3 1 3.1157 m_3H bmse011422 1
4 1 7.5999 m_1H bmse011422 1
5 1 3.2122 m_3H bmse011422 1
6 1 2.6025 DMSO bmse011422 1
7 1 7.6433 dd_1H bmse011422 1
8 1 3.8657 m_3H bmse011422 1
9 1 2.7160 Imp2 bmse011422 1
10 1 8.5677 m_1H bmse011422 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 7.9779 bmse011422 1
2 2 1 0.0000 bmse011422 1
3 3 1 0.0000 bmse011422 1
4 4 1 4.4291 bmse011422 1
5 5 1 5.0068 bmse011422 1
6 6 1 1.9257 bmse011422 1
7 7 1 8.6931 bmse011422 1
8 7 1 4.2915 bmse011422 1
9 8 1 4.8968 bmse011422 1
10 9 1 0.0000 bmse011422 1
11 10 1 4.0164 bmse011422 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011422 1
2 bmse011422 1
3 bmse011422 1
4 bmse011422 1
5 bmse011422 1
6 bmse011422 1
7 bmse011422 1
8 bmse011422 1
9 bmse011422 1
10 bmse011422 1
11 bmse011422 1
12 bmse011422 1
13 bmse011422 1
14 bmse011422 1
15 bmse011422 1
16 bmse011422 1
17 bmse011422 1
18 bmse011422 1
19 bmse011422 1
20 bmse011422 1
21 bmse011422 1
22 bmse011422 1
23 bmse011422 1
24 bmse011422 1
25 bmse011422 1
26 bmse011422 1
27 bmse011422 1
28 bmse011422 1
29 bmse011422 1
30 bmse011422 1
31 bmse011422 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 8.7984 bmse011422 1
2 1 8.7786 bmse011422 1
3 1 8.7718 bmse011422 1
4 1 3.7805 bmse011422 1
5 1 3.1157 bmse011422 1
6 1 7.6147 bmse011422 1
7 1 7.6075 bmse011422 1
8 1 7.5987 bmse011422 1
9 1 7.5934 bmse011422 1
10 1 7.5852 bmse011422 1
11 1 3.2206 bmse011422 1
12 1 3.2122 bmse011422 1
13 1 3.2039 bmse011422 1
14 1 2.5961 bmse011422 1
15 1 2.5996 bmse011422 1
16 1 2.6025 bmse011422 1
17 1 2.6055 bmse011422 1
18 1 2.6089 bmse011422 1
19 1 7.6541 bmse011422 1
20 1 7.6470 bmse011422 1
21 1 7.6396 bmse011422 1
22 1 7.6325 bmse011422 1
23 1 3.8739 bmse011422 1
24 1 3.8658 bmse011422 1
25 1 3.8575 bmse011422 1
26 1 2.7160 bmse011422 1
27 1 8.5811 bmse011422 1
28 1 8.5710 bmse011422 1
29 1 8.5670 bmse011422 1
30 1 8.5569 bmse011422 1
31 1 8.5543 bmse011422 1
stop_
save_