#########################
# 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 bmse011495
_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 bmse011495 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 bmse011495 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011495 1
2 bmse011495 1
3 bmse011495 1
4 bmse011495 1
5 bmse011495 1
6 bmse011495 1
7 bmse011495 1
8 bmse011495 1
9 bmse011495 1
10 bmse011495 1
11 bmse011495 1
12 bmse011495 1
13 bmse011495 1
14 bmse011495 1
15 bmse011495 1
16 bmse011495 1
17 bmse011495 1
18 bmse011495 1
19 bmse011495 1
20 bmse011495 1
21 bmse011495 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 7.0888 t_1H bmse011495 1
2 1 6.9269 m_3H_Q1 bmse011495 1
3 1 6.8124 m_2H bmse011495 1
4 1 1.1086 m_6H bmse011495 1
5 1 3.0906 t_1H bmse011495 1
6 1 3.5368 m_9H bmse011495 1
7 1 7.5646 m_1H bmse011495 1
8 1 2.6031 DMSO bmse011495 1
9 1 1.2194 m_3H bmse011495 1
10 1 3.6350 m_4H bmse011495 1
11 1 2.7197 Imp2 bmse011495 1
12 1 3.0427 t_1H bmse011495 1
13 1 3.3816 m_12H bmse011495 1
14 1 2.4311 Imp1 bmse011495 1
15 1 1.0185 m_6H bmse011495 1
16 1 0.9563 m_1H bmse011495 1
17 1 3.7341 m_6H bmse011495 1
18 1 3.2728 s_2H bmse011495 1
19 1 7.2440 m_1H bmse011495 1
20 1 7.0518 s_1H bmse011495 1
21 1 1.0510 s_1H bmse011495 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 3.1361 bmse011495 1
2 2 1 5.5845 bmse011495 1
3 3 1 4.3466 bmse011495 1
4 4 1 7.0425 bmse011495 1
5 5 1 5.1718 bmse011495 1
6 6 1 5.3369 bmse011495 1
7 7 1 6.7124 bmse011495 1
8 8 1 0.0000 bmse011495 1
9 9 1 3.8514 bmse011495 1
10 10 1 3.5873 bmse011495 1
11 11 1 0.0000 bmse011495 1
12 12 1 7.4277 bmse011495 1
13 13 1 6.8224 bmse011495 1
14 14 1 0.0000 bmse011495 1
15 15 1 3.0673 bmse011495 1
16 16 1 7.0425 bmse011495 1
17 17 1 5.2504 bmse011495 1
18 18 1 0.0000 bmse011495 1
19 19 1 3.2187 bmse011495 1
20 20 1 0.0000 bmse011495 1
21 21 1 0.0000 bmse011495 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011495 1
2 bmse011495 1
3 bmse011495 1
4 bmse011495 1
5 bmse011495 1
6 bmse011495 1
7 bmse011495 1
8 bmse011495 1
9 bmse011495 1
10 bmse011495 1
11 bmse011495 1
12 bmse011495 1
13 bmse011495 1
14 bmse011495 1
15 bmse011495 1
16 bmse011495 1
17 bmse011495 1
18 bmse011495 1
19 bmse011495 1
20 bmse011495 1
21 bmse011495 1
22 bmse011495 1
23 bmse011495 1
24 bmse011495 1
25 bmse011495 1
26 bmse011495 1
27 bmse011495 1
28 bmse011495 1
29 bmse011495 1
30 bmse011495 1
31 bmse011495 1
32 bmse011495 1
33 bmse011495 1
34 bmse011495 1
35 bmse011495 1
36 bmse011495 1
37 bmse011495 1
38 bmse011495 1
39 bmse011495 1
40 bmse011495 1
41 bmse011495 1
42 bmse011495 1
43 bmse011495 1
44 bmse011495 1
45 bmse011495 1
46 bmse011495 1
47 bmse011495 1
48 bmse011495 1
49 bmse011495 1
50 bmse011495 1
51 bmse011495 1
52 bmse011495 1
53 bmse011495 1
54 bmse011495 1
55 bmse011495 1
56 bmse011495 1
57 bmse011495 1
58 bmse011495 1
59 bmse011495 1
60 bmse011495 1
61 bmse011495 1
62 bmse011495 1
63 bmse011495 1
64 bmse011495 1
65 bmse011495 1
66 bmse011495 1
67 bmse011495 1
68 bmse011495 1
69 bmse011495 1
70 bmse011495 1
71 bmse011495 1
72 bmse011495 1
73 bmse011495 1
74 bmse011495 1
75 bmse011495 1
76 bmse011495 1
77 bmse011495 1
78 bmse011495 1
79 bmse011495 1
80 bmse011495 1
81 bmse011495 1
82 bmse011495 1
83 bmse011495 1
84 bmse011495 1
85 bmse011495 1
86 bmse011495 1
87 bmse011495 1
88 bmse011495 1
89 bmse011495 1
90 bmse011495 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 7.0835 bmse011495 1
2 1 7.0890 bmse011495 1
3 1 7.0940 bmse011495 1
4 1 6.9455 bmse011495 1
5 1 6.9301 bmse011495 1
6 1 6.9235 bmse011495 1
7 1 6.9123 bmse011495 1
8 1 6.9082 bmse011495 1
9 1 6.8197 bmse011495 1
10 1 6.8107 bmse011495 1
11 1 6.8052 bmse011495 1
12 1 1.1380 bmse011495 1
13 1 1.1189 bmse011495 1
14 1 1.1160 bmse011495 1
15 1 1.1029 bmse011495 1
16 1 1.0910 bmse011495 1
17 1 1.0793 bmse011495 1
18 1 3.0820 bmse011495 1
19 1 3.0902 bmse011495 1
20 1 3.0992 bmse011495 1
21 1 3.5812 bmse011495 1
22 1 3.5699 bmse011495 1
23 1 3.5645 bmse011495 1
24 1 3.5622 bmse011495 1
25 1 3.5574 bmse011495 1
26 1 3.5512 bmse011495 1
27 1 3.5451 bmse011495 1
28 1 3.5136 bmse011495 1
29 1 3.5022 bmse011495 1
30 1 3.4998 bmse011495 1
31 1 3.4923 bmse011495 1
32 1 7.5758 bmse011495 1
33 1 7.5617 bmse011495 1
34 1 7.5534 bmse011495 1
35 1 2.6031 bmse011495 1
36 1 1.2355 bmse011495 1
37 1 1.2276 bmse011495 1
38 1 1.2236 bmse011495 1
39 1 1.2155 bmse011495 1
40 1 1.2115 bmse011495 1
41 1 1.2034 bmse011495 1
42 1 3.6500 bmse011495 1
43 1 3.6443 bmse011495 1
44 1 3.6427 bmse011495 1
45 1 3.6366 bmse011495 1
46 1 3.6260 bmse011495 1
47 1 3.6201 bmse011495 1
48 1 2.7197 bmse011495 1
49 1 3.0303 bmse011495 1
50 1 3.0426 bmse011495 1
51 1 3.0550 bmse011495 1
52 1 3.4384 bmse011495 1
53 1 3.4248 bmse011495 1
54 1 3.4155 bmse011495 1
55 1 3.4014 bmse011495 1
56 1 3.3909 bmse011495 1
57 1 3.3834 bmse011495 1
58 1 3.3807 bmse011495 1
59 1 3.3599 bmse011495 1
60 1 3.3486 bmse011495 1
61 1 3.3365 bmse011495 1
62 1 3.3247 bmse011495 1
63 1 2.4311 bmse011495 1
64 1 1.0389 bmse011495 1
65 1 1.0329 bmse011495 1
66 1 1.0261 bmse011495 1
67 1 1.0215 bmse011495 1
68 1 1.0144 bmse011495 1
69 1 1.0098 bmse011495 1
70 1 1.0091 bmse011495 1
71 1 1.0030 bmse011495 1
72 1 0.9981 bmse011495 1
73 1 0.9621 bmse011495 1
74 1 0.9504 bmse011495 1
75 1 3.7648 bmse011495 1
76 1 3.7561 bmse011495 1
77 1 3.7470 bmse011495 1
78 1 3.7417 bmse011495 1
79 1 3.7330 bmse011495 1
80 1 3.7231 bmse011495 1
81 1 3.7131 bmse011495 1
82 1 3.7035 bmse011495 1
83 1 3.2728 bmse011495 1
84 1 7.2548 bmse011495 1
85 1 7.2511 bmse011495 1
86 1 7.2452 bmse011495 1
87 1 7.2405 bmse011495 1
88 1 7.2333 bmse011495 1
89 1 7.0518 bmse011495 1
90 1 1.0510 bmse011495 1
stop_
save_