#########################
# Spectral peak lists #
#########################
save_spectral_peaks_1D_1H_set01
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H_set01
_Spectral_peak_list.Entry_ID bmse001317
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_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.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 1
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01
_Spectral_peak_list.Details 'F1: 1H'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 'Full H' . . 16.03 ppm . . . . . . bmse001317 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_topspin . . bmse001317 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Peak_ID
_Spectral_transition.Figure_of_merit
_Spectral_transition.Details
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 . . . bmse001317 1
2 . . . bmse001317 1
3 . . . bmse001317 1
4 . . . bmse001317 1
5 . . . bmse001317 1
6 . . . bmse001317 1
7 . . . bmse001317 1
8 . . . bmse001317 1
9 . . . bmse001317 1
10 . . . bmse001317 1
11 . . . bmse001317 1
12 . . . bmse001317 1
13 . . . bmse001317 1
14 . . . bmse001317 1
15 . . . bmse001317 1
16 . . . bmse001317 1
17 . . . bmse001317 1
18 . . . bmse001317 1
19 . . . bmse001317 1
20 . . . bmse001317 1
21 . . . bmse001317 1
22 . . . bmse001317 1
23 . . . bmse001317 1
24 . . . bmse001317 1
25 . . . bmse001317 1
26 . . . bmse001317 1
27 . . . bmse001317 1
28 . . . bmse001317 1
29 . . . bmse001317 1
30 . . . bmse001317 1
31 . . . bmse001317 1
32 . . . bmse001317 1
33 . . . bmse001317 1
34 . . . bmse001317 1
35 . . . bmse001317 1
36 . . . bmse001317 1
37 . . . bmse001317 1
38 . . . bmse001317 1
39 . . . bmse001317 1
40 . . . bmse001317 1
41 . . . bmse001317 1
42 . . . bmse001317 1
43 . . . bmse001317 1
44 . . . bmse001317 1
45 . . . bmse001317 1
46 . . . bmse001317 1
47 . . . bmse001317 1
48 . . . bmse001317 1
49 . . . bmse001317 1
50 . . . bmse001317 1
51 . . . bmse001317 1
52 . . . bmse001317 1
53 . . . bmse001317 1
54 . . . bmse001317 1
55 . . . bmse001317 1
56 . . . bmse001317 1
57 . . . bmse001317 1
58 . . . bmse001317 1
59 . . . bmse001317 1
60 . . . bmse001317 1
61 . . . bmse001317 1
62 . . . bmse001317 1
63 . . . bmse001317 1
64 . . . bmse001317 1
65 . . . bmse001317 1
66 . . . bmse001317 1
67 . . . bmse001317 1
68 . . . bmse001317 1
69 . . . bmse001317 1
70 . . . bmse001317 1
71 . . . bmse001317 1
72 . . . bmse001317 1
73 . . . bmse001317 1
74 . . . bmse001317 1
75 . . . bmse001317 1
76 . . . bmse001317 1
77 . . . bmse001317 1
78 . . . bmse001317 1
79 . . . bmse001317 1
80 . . . bmse001317 1
81 . . . bmse001317 1
82 . . . bmse001317 1
83 . . . bmse001317 1
84 . . . bmse001317 1
85 . . . bmse001317 1
86 . . . bmse001317 1
87 . . . bmse001317 1
88 . . . bmse001317 1
89 . . . bmse001317 1
90 . . . bmse001317 1
91 . . . bmse001317 1
92 . . . bmse001317 1
93 . . . bmse001317 1
94 . . . bmse001317 1
95 . . . bmse001317 1
96 . . . bmse001317 1
97 . . . bmse001317 1
98 . . . bmse001317 1
99 . . . bmse001317 1
100 . . . bmse001317 1
101 . . . bmse001317 1
102 . . . bmse001317 1
103 . . . bmse001317 1
104 . . . bmse001317 1
105 . . . bmse001317 1
106 . . . bmse001317 1
107 . . . bmse001317 1
108 . . . bmse001317 1
109 . . . bmse001317 1
110 . . . bmse001317 1
111 . . . bmse001317 1
112 . . . bmse001317 1
113 . . . bmse001317 1
114 . . . bmse001317 1
115 . . . bmse001317 1
116 . . . bmse001317 1
117 . . . bmse001317 1
118 . . . bmse001317 1
119 . . . bmse001317 1
120 . . . bmse001317 1
121 . . . bmse001317 1
122 . . . bmse001317 1
123 . . . bmse001317 1
124 . . . bmse001317 1
125 . . . bmse001317 1
126 . . . bmse001317 1
127 . . . bmse001317 1
128 . . . bmse001317 1
stop_
loop_
_Spectral_transition_general_char.Spectral_transition_ID
_Spectral_transition_general_char.Peak_ID
_Spectral_transition_general_char.Intensity_val
_Spectral_transition_general_char.Intensity_val_err
_Spectral_transition_general_char.Measurement_method
_Spectral_transition_general_char.Entry_ID
_Spectral_transition_general_char.Spectral_peak_list_ID
1 . 0.4002896 . 'relative height' bmse001317 1
2 . 0.0167872 . 'relative height' bmse001317 1
3 . 0.1982848 . 'relative height' bmse001317 1
4 . 0.2012611 . 'relative height' bmse001317 1
5 . 0.1593333 . 'relative height' bmse001317 1
6 . 0.2302236 . 'relative height' bmse001317 1
7 . 0.02266788 . 'relative height' bmse001317 1
8 . 0.0257222 . 'relative height' bmse001317 1
9 . 0.0550176 . 'relative height' bmse001317 1
10 . 0.04577814 . 'relative height' bmse001317 1
11 . 0.03664465 . 'relative height' bmse001317 1
12 . 0.04813036 . 'relative height' bmse001317 1
13 . 0.02284868 . 'relative height' bmse001317 1
14 . 0.01790443 . 'relative height' bmse001317 1
15 . 0.01405249 . 'relative height' bmse001317 1
16 . 0.01219702 . 'relative height' bmse001317 1
17 . 0.01328938 . 'relative height' bmse001317 1
18 . 0.01457021 . 'relative height' bmse001317 1
19 . 0.05068274 . 'relative height' bmse001317 1
20 . 0.08251257 . 'relative height' bmse001317 1
21 . 0.1996698 . 'relative height' bmse001317 1
22 . 0.08270407 . 'relative height' bmse001317 1
23 . 0.07086012 . 'relative height' bmse001317 1
24 . 0.06215593 . 'relative height' bmse001317 1
25 . 0.05534179 . 'relative height' bmse001317 1
26 . 0.05662318 . 'relative height' bmse001317 1
27 . 0.05885684 . 'relative height' bmse001317 1
28 . 0.05693365 . 'relative height' bmse001317 1
29 . 0.05187052 . 'relative height' bmse001317 1
30 . 0.04335446 . 'relative height' bmse001317 1
31 . 0.03407103 . 'relative height' bmse001317 1
32 . 0.02663545 . 'relative height' bmse001317 1
33 . 0.02052914 . 'relative height' bmse001317 1
34 . 0.01922342 . 'relative height' bmse001317 1
35 . 0.02080391 . 'relative height' bmse001317 1
36 . 0.0228957 . 'relative height' bmse001317 1
37 . 0.0243147 . 'relative height' bmse001317 1
38 . 0.02113735 . 'relative height' bmse001317 1
39 . 0.0160359 . 'relative height' bmse001317 1
40 . 0.02180892 . 'relative height' bmse001317 1
41 . 0.02233264 . 'relative height' bmse001317 1
42 . 0.03932662 . 'relative height' bmse001317 1
43 . 0.07439363 . 'relative height' bmse001317 1
44 . 0.07524983 . 'relative height' bmse001317 1
45 . 0.0638885 . 'relative height' bmse001317 1
46 . 0.03765065 . 'relative height' bmse001317 1
47 . 0.1052318 . 'relative height' bmse001317 1
48 . 0.20193 . 'relative height' bmse001317 1
49 . 0.2638995 . 'relative height' bmse001317 1
50 . 0.1779878 . 'relative height' bmse001317 1
51 . 0.07583352 . 'relative height' bmse001317 1
52 . 0.0239544 . 'relative height' bmse001317 1
53 . 0.03295453 . 'relative height' bmse001317 1
54 . 0.05651165 . 'relative height' bmse001317 1
55 . 0.06022897 . 'relative height' bmse001317 1
56 . 0.04527909 . 'relative height' bmse001317 1
57 . 0.04383696 . 'relative height' bmse001317 1
58 . 0.01784527 . 'relative height' bmse001317 1
59 . 0.04621556 . 'relative height' bmse001317 1
60 . 0.03868457 . 'relative height' bmse001317 1
61 . 0.05412378 . 'relative height' bmse001317 1
62 . 0.05826339 . 'relative height' bmse001317 1
63 . 0.06438518 . 'relative height' bmse001317 1
64 . 0.05756625 . 'relative height' bmse001317 1
65 . 0.04021779 . 'relative height' bmse001317 1
66 . 0.04766566 . 'relative height' bmse001317 1
67 . 0.04159898 . 'relative height' bmse001317 1
68 . 0.05499042 . 'relative height' bmse001317 1
69 . 0.04325906 . 'relative height' bmse001317 1
70 . 0.04460314 . 'relative height' bmse001317 1
71 . 0.04764585 . 'relative height' bmse001317 1
72 . 0.04475861 . 'relative height' bmse001317 1
73 . 0.03602577 . 'relative height' bmse001317 1
74 . 0.01235319 . 'relative height' bmse001317 1
75 . 0.01234723 . 'relative height' bmse001317 1
76 . 0.07806506 . 'relative height' bmse001317 1
77 . 0.09031301 . 'relative height' bmse001317 1
78 . 0.1410759 . 'relative height' bmse001317 1
79 . 0.1405635 . 'relative height' bmse001317 1
80 . 0.1766532 . 'relative height' bmse001317 1
81 . 0.1639226 . 'relative height' bmse001317 1
82 . 0.1234694 . 'relative height' bmse001317 1
83 . 0.1782525 . 'relative height' bmse001317 1
84 . 0.1230909 . 'relative height' bmse001317 1
85 . 0.1799323 . 'relative height' bmse001317 1
86 . 0.149691 . 'relative height' bmse001317 1
87 . 0.1907678 . 'relative height' bmse001317 1
88 . 0.1286246 . 'relative height' bmse001317 1
89 . 0.1068135 . 'relative height' bmse001317 1
90 . 0.04210608 . 'relative height' bmse001317 1
91 . 0.08539056 . 'relative height' bmse001317 1
92 . 0.08874394 . 'relative height' bmse001317 1
93 . 0.06306816 . 'relative height' bmse001317 1
94 . 0.05706839 . 'relative height' bmse001317 1
95 . 0.07027437 . 'relative height' bmse001317 1
96 . 0.07098179 . 'relative height' bmse001317 1
97 . 0.09265222 . 'relative height' bmse001317 1
98 . 0.08492419 . 'relative height' bmse001317 1
99 . 0.06960412 . 'relative height' bmse001317 1
100 . 0.0541859 . 'relative height' bmse001317 1
101 . 0.07222361 . 'relative height' bmse001317 1
102 . 0.06844278 . 'relative height' bmse001317 1
103 . 0.03342277 . 'relative height' bmse001317 1
104 . 0.9532593 . 'relative height' bmse001317 1
105 . 0.8304813 . 'relative height' bmse001317 1
106 . 0.05681902 . 'relative height' bmse001317 1
107 . 0.03968492 . 'relative height' bmse001317 1
108 . 0.8732078 . 'relative height' bmse001317 1
109 . 0.9048008 . 'relative height' bmse001317 1
110 . 0.0161329 . 'relative height' bmse001317 1
111 . 0.01498599 . 'relative height' bmse001317 1
112 . 0.01517912 . 'relative height' bmse001317 1
113 . 0.03733425 . 'relative height' bmse001317 1
114 . 0.04738882 . 'relative height' bmse001317 1
115 . 0.06211666 . 'relative height' bmse001317 1
116 . 0.06168765 . 'relative height' bmse001317 1
117 . 0.07645264 . 'relative height' bmse001317 1
118 . 0.8220747 . 'relative height' bmse001317 1
119 . 0.09029301 . 'relative height' bmse001317 1
120 . 0.108807 . 'relative height' bmse001317 1
121 . 0.06547849 . 'relative height' bmse001317 1
122 . 0.06146088 . 'relative height' bmse001317 1
123 . 0.01834576 . 'relative height' bmse001317 1
124 . 0.09915045 . 'relative height' bmse001317 1
125 . 1.635776 . 'relative height' bmse001317 1
126 . 0.8881429 . 'relative height' bmse001317 1
127 . 0.1327998 . 'relative height' bmse001317 1
128 . 0.1294851 . 'relative height' bmse001317 1
stop_
loop_
_Spectral_transition_char.Spectral_transition_ID
_Spectral_transition_char.Peak_ID
_Spectral_transition_char.Spectral_dim_ID
_Spectral_transition_char.Chem_shift_val
_Spectral_transition_char.Chem_shift_val_err
_Spectral_transition_char.Line_width_val
_Spectral_transition_char.Line_width_val_err
_Spectral_transition_char.Phase_val
_Spectral_transition_char.Phase_val_err
_Spectral_transition_char.Decay_rate_val
_Spectral_transition_char.Decay_rate_val_err
_Spectral_transition_char.Bounding_box_upper_val
_Spectral_transition_char.Bounding_box_lower_val
_Spectral_transition_char.Bounding_box_width_val
_Spectral_transition_char.Derivation_method_ID
_Spectral_transition_char.Entry_ID
_Spectral_transition_char.Spectral_peak_list_ID
1 . 1 5.539226 . . . . . . . . . . . bmse001317 1
2 . 1 5.172644 . . . . . . . . . . . bmse001317 1
3 . 1 4.178019 . . . . . . . . . . . bmse001317 1
4 . 1 4.16716 . . . . . . . . . . . bmse001317 1
5 . 1 3.887693 . . . . . . . . . . . bmse001317 1
6 . 1 3.874371 . . . . . . . . . . . bmse001317 1
7 . 1 3.839563 . . . . . . . . . . . bmse001317 1
8 . 1 3.832048 . . . . . . . . . . . bmse001317 1
9 . 1 3.818977 . . . . . . . . . . . bmse001317 1
10 . 1 3.811503 . . . . . . . . . . . bmse001317 1
11 . 1 3.805804 . . . . . . . . . . . bmse001317 1
12 . 1 3.798192 . . . . . . . . . . . bmse001317 1
13 . 1 3.790932 . . . . . . . . . . . bmse001317 1
14 . 1 3.785262 . . . . . . . . . . . bmse001317 1
15 . 1 3.777467 . . . . . . . . . . . bmse001317 1
16 . 1 3.348346 . . . . . . . . . . . bmse001317 1
17 . 1 3.347341 . . . . . . . . . . . bmse001317 1
18 . 1 3.346359 . . . . . . . . . . . bmse001317 1
19 . 1 3.33631 . . . . . . . . . . . bmse001317 1
20 . 1 3.325586 . . . . . . . . . . . bmse001317 1
21 . 1 3.314544 . . . . . . . . . . . bmse001317 1
22 . 1 3.290953 . . . . . . . . . . . bmse001317 1
23 . 1 3.28992 . . . . . . . . . . . bmse001317 1
24 . 1 3.28891 . . . . . . . . . . . bmse001317 1
25 . 1 3.287884 . . . . . . . . . . . bmse001317 1
26 . 1 3.286767 . . . . . . . . . . . bmse001317 1
27 . 1 3.285857 . . . . . . . . . . . bmse001317 1
28 . 1 3.284947 . . . . . . . . . . . bmse001317 1
29 . 1 3.28406 . . . . . . . . . . . bmse001317 1
30 . 1 3.283145 . . . . . . . . . . . bmse001317 1
31 . 1 3.282151 . . . . . . . . . . . bmse001317 1
32 . 1 3.281157 . . . . . . . . . . . bmse001317 1
33 . 1 3.280085 . . . . . . . . . . . bmse001317 1
34 . 1 3.279003 . . . . . . . . . . . bmse001317 1
35 . 1 3.277951 . . . . . . . . . . . bmse001317 1
36 . 1 3.276999 . . . . . . . . . . . bmse001317 1
37 . 1 3.276088 . . . . . . . . . . . bmse001317 1
38 . 1 3.275255 . . . . . . . . . . . bmse001317 1
39 . 1 3.274312 . . . . . . . . . . . bmse001317 1
40 . 1 3.11926 . . . . . . . . . . . bmse001317 1
41 . 1 3.108774 . . . . . . . . . . . bmse001317 1
42 . 1 2.890654 . . . . . . . . . . . bmse001317 1
43 . 1 2.879587 . . . . . . . . . . . bmse001317 1
44 . 1 2.868618 . . . . . . . . . . . bmse001317 1
45 . 1 2.858075 . . . . . . . . . . . bmse001317 1
46 . 1 2.847172 . . . . . . . . . . . bmse001317 1
47 . 1 2.457605 . . . . . . . . . . . bmse001317 1
48 . 1 2.454057 . . . . . . . . . . . bmse001317 1
49 . 1 2.450391 . . . . . . . . . . . bmse001317 1
50 . 1 2.446797 . . . . . . . . . . . bmse001317 1
51 . 1 2.443151 . . . . . . . . . . . bmse001317 1
52 . 1 1.799927 . . . . . . . . . . . bmse001317 1
53 . 1 1.785481 . . . . . . . . . . . bmse001317 1
54 . 1 1.778786 . . . . . . . . . . . bmse001317 1
55 . 1 1.764752 . . . . . . . . . . . bmse001317 1
56 . 1 1.757617 . . . . . . . . . . . bmse001317 1
57 . 1 1.743716 . . . . . . . . . . . bmse001317 1
58 . 1 1.727594 . . . . . . . . . . . bmse001317 1
59 . 1 1.708144 . . . . . . . . . . . bmse001317 1
60 . 1 1.700377 . . . . . . . . . . . bmse001317 1
61 . 1 1.693905 . . . . . . . . . . . bmse001317 1
62 . 1 1.684626 . . . . . . . . . . . bmse001317 1
63 . 1 1.676175 . . . . . . . . . . . bmse001317 1
64 . 1 1.667324 . . . . . . . . . . . bmse001317 1
65 . 1 1.655053 . . . . . . . . . . . bmse001317 1
66 . 1 1.646468 . . . . . . . . . . . bmse001317 1
67 . 1 1.637854 . . . . . . . . . . . bmse001317 1
68 . 1 1.62851 . . . . . . . . . . . bmse001317 1
69 . 1 1.622078 . . . . . . . . . . . bmse001317 1
70 . 1 1.612198 . . . . . . . . . . . bmse001317 1
71 . 1 1.606142 . . . . . . . . . . . bmse001317 1
72 . 1 1.602603 . . . . . . . . . . . bmse001317 1
73 . 1 1.596674 . . . . . . . . . . . bmse001317 1
74 . 1 1.559747 . . . . . . . . . . . bmse001317 1
75 . 1 1.539596 . . . . . . . . . . . bmse001317 1
76 . 1 1.503388 . . . . . . . . . . . bmse001317 1
77 . 1 1.495079 . . . . . . . . . . . bmse001317 1
78 . 1 1.484102 . . . . . . . . . . . bmse001317 1
79 . 1 1.477789 . . . . . . . . . . . bmse001317 1
80 . 1 1.468513 . . . . . . . . . . . bmse001317 1
81 . 1 1.46335 . . . . . . . . . . . bmse001317 1
82 . 1 1.456218 . . . . . . . . . . . bmse001317 1
83 . 1 1.443697 . . . . . . . . . . . bmse001317 1
84 . 1 1.434424 . . . . . . . . . . . bmse001317 1
85 . 1 1.422907 . . . . . . . . . . . bmse001317 1
86 . 1 1.409471 . . . . . . . . . . . bmse001317 1
87 . 1 1.402143 . . . . . . . . . . . bmse001317 1
88 . 1 1.39511 . . . . . . . . . . . bmse001317 1
89 . 1 1.383843 . . . . . . . . . . . bmse001317 1
90 . 1 1.360498 . . . . . . . . . . . bmse001317 1
91 . 1 1.347464 . . . . . . . . . . . bmse001317 1
92 . 1 1.339977 . . . . . . . . . . . bmse001317 1
93 . 1 1.322621 . . . . . . . . . . . bmse001317 1
94 . 1 1.315331 . . . . . . . . . . . bmse001317 1
95 . 1 1.279741 . . . . . . . . . . . bmse001317 1
96 . 1 1.274139 . . . . . . . . . . . bmse001317 1
97 . 1 1.253387 . . . . . . . . . . . bmse001317 1
98 . 1 1.247646 . . . . . . . . . . . bmse001317 1
99 . 1 1.240928 . . . . . . . . . . . bmse001317 1
100 . 1 1.233979 . . . . . . . . . . . bmse001317 1
101 . 1 1.208539 . . . . . . . . . . . bmse001317 1
102 . 1 1.195518 . . . . . . . . . . . bmse001317 1
103 . 1 1.180889 . . . . . . . . . . . bmse001317 1
104 . 1 1.155929 . . . . . . . . . . . bmse001317 1
105 . 1 1.131289 . . . . . . . . . . . bmse001317 1
106 . 1 1.108667 . . . . . . . . . . . bmse001317 1
107 . 1 1.098569 . . . . . . . . . . . bmse001317 1
108 . 1 1.057985 . . . . . . . . . . . bmse001317 1
109 . 1 1.052692 . . . . . . . . . . . bmse001317 1
110 . 1 1.028746 . . . . . . . . . . . bmse001317 1
111 . 1 1.020342 . . . . . . . . . . . bmse001317 1
112 . 1 1.017884 . . . . . . . . . . . bmse001317 1
113 . 1 0.996982 . . . . . . . . . . . bmse001317 1
114 . 1 0.975342 . . . . . . . . . . . bmse001317 1
115 . 1 0.971011 . . . . . . . . . . . bmse001317 1
116 . 1 0.949875 . . . . . . . . . . . bmse001317 1
117 . 1 0.921796 . . . . . . . . . . . bmse001317 1
118 . 1 0.897949 . . . . . . . . . . . bmse001317 1
119 . 1 0.88601 . . . . . . . . . . . bmse001317 1
120 . 1 0.879948 . . . . . . . . . . . bmse001317 1
121 . 1 0.868613 . . . . . . . . . . . bmse001317 1
122 . 1 0.862463 . . . . . . . . . . . bmse001317 1
123 . 1 0.825489 . . . . . . . . . . . bmse001317 1
124 . 1 0.795329 . . . . . . . . . . . bmse001317 1
125 . 1 0.77908 . . . . . . . . . . . bmse001317 1
126 . 1 0.773652 . . . . . . . . . . . bmse001317 1
127 . 1 0.70452 . . . . . . . . . . . bmse001317 1
128 . 1 0.683842 . . . . . . . . . . . bmse001317 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peaks_1D_13C_set01
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peaks_1D_13C_set01
_Spectral_peak_list.Entry_ID bmse001317
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_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 3
_Spectral_peak_list.Experiment_name '1D 13C'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 1
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01
_Spectral_peak_list.Details 'F1: 13C'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . C 13 'Full C' . . 248.61 ppm . . . . . . bmse001317 2
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_topspin . . bmse001317 2
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Peak_ID
_Spectral_transition.Figure_of_merit
_Spectral_transition.Details
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
30 . . . bmse001317 2
stop_
loop_
_Spectral_transition_general_char.Spectral_transition_ID
_Spectral_transition_general_char.Peak_ID
_Spectral_transition_general_char.Intensity_val
_Spectral_transition_general_char.Intensity_val_err
_Spectral_transition_general_char.Measurement_method
_Spectral_transition_general_char.Entry_ID
_Spectral_transition_general_char.Spectral_peak_list_ID
30 . 0.17440155580658906 . 'relative height' bmse001317 2
stop_
loop_
_Spectral_transition_char.Spectral_transition_ID
_Spectral_transition_char.Peak_ID
_Spectral_transition_char.Spectral_dim_ID
_Spectral_transition_char.Chem_shift_val
_Spectral_transition_char.Chem_shift_val_err
_Spectral_transition_char.Line_width_val
_Spectral_transition_char.Line_width_val_err
_Spectral_transition_char.Phase_val
_Spectral_transition_char.Phase_val_err
_Spectral_transition_char.Decay_rate_val
_Spectral_transition_char.Decay_rate_val_err
_Spectral_transition_char.Bounding_box_upper_val
_Spectral_transition_char.Bounding_box_lower_val
_Spectral_transition_char.Bounding_box_width_val
_Spectral_transition_char.Derivation_method_ID
_Spectral_transition_char.Entry_ID
_Spectral_transition_char.Spectral_peak_list_ID
30 . 1 27.030136912234042 . . . . . . . . . . . bmse001317 2
stop_
loop_
_Assigned_spectral_transition.Spectral_transition_ID
_Assigned_spectral_transition.Spectral_dim_ID
_Assigned_spectral_transition.Contribution_fractional_val
_Assigned_spectral_transition.Peak_ID
_Assigned_spectral_transition.Set_ID
_Assigned_spectral_transition.Magnetization_linkage_ID
_Assigned_spectral_transition.Assembly_atom_ID
_Assigned_spectral_transition.Val
_Assigned_spectral_transition.Assigned_chem_shift_list_ID
_Assigned_spectral_transition.Atom_chem_shift_ID
_Assigned_spectral_transition.Entity_assembly_ID
_Assigned_spectral_transition.Entity_ID
_Assigned_spectral_transition.Comp_index_ID
_Assigned_spectral_transition.Comp_ID
_Assigned_spectral_transition.Atom_ID
_Assigned_spectral_transition.Figure_of_merit
_Assigned_spectral_transition.Resonance_ID
_Assigned_spectral_transition.Details
_Assigned_spectral_transition.Entry_ID
_Assigned_spectral_transition.Spectral_peak_list_ID
30 1 . . . . 14 27.030136912234042 1 . 1 1 1 BMET001317 C14 . . . bmse001317 2
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peaks_1D_DEPT90_set01
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT90_set01
_Spectral_peak_list.Entry_ID bmse001317
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_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 4
_Spectral_peak_list.Experiment_name '1D DEPT90'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 1
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01
_Spectral_peak_list.Details 'F1: 13C'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001317 3
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_topspin . . bmse001317 3
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Peak_ID
_Spectral_transition.Figure_of_merit
_Spectral_transition.Details
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 . . . bmse001317 3
2 . . . bmse001317 3
3 . . . bmse001317 3
4 . . . bmse001317 3
5 . . . bmse001317 3
6 . . . bmse001317 3
7 . . . bmse001317 3
stop_
loop_
_Spectral_transition_general_char.Spectral_transition_ID
_Spectral_transition_general_char.Peak_ID
_Spectral_transition_general_char.Intensity_val
_Spectral_transition_general_char.Intensity_val_err
_Spectral_transition_general_char.Measurement_method
_Spectral_transition_general_char.Entry_ID
_Spectral_transition_general_char.Spectral_peak_list_ID
1 . 15.0 . 'relative height' bmse001317 3
2 . 14.96368 . 'relative height' bmse001317 3
3 . 13.8257 . 'relative height' bmse001317 3
4 . 14.34306 . 'relative height' bmse001317 3
5 . 13.3956 . 'relative height' bmse001317 3
6 . 13.83946 . 'relative height' bmse001317 3
7 . 13.68248 . 'relative height' bmse001317 3
stop_
loop_
_Spectral_transition_char.Spectral_transition_ID
_Spectral_transition_char.Peak_ID
_Spectral_transition_char.Spectral_dim_ID
_Spectral_transition_char.Chem_shift_val
_Spectral_transition_char.Chem_shift_val_err
_Spectral_transition_char.Line_width_val
_Spectral_transition_char.Line_width_val_err
_Spectral_transition_char.Phase_val
_Spectral_transition_char.Phase_val_err
_Spectral_transition_char.Decay_rate_val
_Spectral_transition_char.Decay_rate_val_err
_Spectral_transition_char.Bounding_box_upper_val
_Spectral_transition_char.Bounding_box_lower_val
_Spectral_transition_char.Bounding_box_width_val
_Spectral_transition_char.Derivation_method_ID
_Spectral_transition_char.Entry_ID
_Spectral_transition_char.Spectral_peak_list_ID
1 . 1 76.766083 . . . . . . . . . . . bmse001317 3
2 . 1 68.911926 . . . . . . . . . . . bmse001317 3
3 . 1 66.121262 . . . . . . . . . . . bmse001317 3
4 . 1 60.130966 . . . . . . . . . . . bmse001317 3
5 . 1 53.824043 . . . . . . . . . . . bmse001317 3
6 . 1 48.423836 . . . . . . . . . . . bmse001317 3
7 . 1 48.191433 . . . . . . . . . . . bmse001317 3
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peaks_1D_DEPT135_set01
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT135_set01
_Spectral_peak_list.Entry_ID bmse001317
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name .
_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 5
_Spectral_peak_list.Experiment_name '1D DEPT135'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 1
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01
_Spectral_peak_list.Details 'F1: 13C'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001317 4
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_topspin . . bmse001317 4
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Peak_ID
_Spectral_transition.Figure_of_merit
_Spectral_transition.Details
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 . . . bmse001317 4
2 . . . bmse001317 4
3 . . . bmse001317 4
4 . . . bmse001317 4
5 . . . bmse001317 4
6 . . . bmse001317 4
7 . . . bmse001317 4
8 . . . bmse001317 4
9 . . . bmse001317 4
10 . . . bmse001317 4
11 . . . bmse001317 4
12 . . . bmse001317 4
13 . . . bmse001317 4
14 . . . bmse001317 4
15 . . . bmse001317 4
16 . . . bmse001317 4
17 . . . bmse001317 4
18 . . . bmse001317 4
19 . . . bmse001317 4
20 . . . bmse001317 4
21 . . . bmse001317 4
22 . . . bmse001317 4
23 . . . bmse001317 4
24 . . . bmse001317 4
stop_
loop_
_Spectral_transition_general_char.Spectral_transition_ID
_Spectral_transition_general_char.Peak_ID
_Spectral_transition_general_char.Intensity_val
_Spectral_transition_general_char.Intensity_val_err
_Spectral_transition_general_char.Measurement_method
_Spectral_transition_general_char.Entry_ID
_Spectral_transition_general_char.Spectral_peak_list_ID
1 . 5.941186 . 'relative height' bmse001317 4
2 . 6.226446 . 'relative height' bmse001317 4
3 . 5.375359 . 'relative height' bmse001317 4
4 . 5.816801 . 'relative height' bmse001317 4
5 . 5.581811 . 'relative height' bmse001317 4
6 . 5.423784 . 'relative height' bmse001317 4
7 . 5.029888 . 'relative height' bmse001317 4
8 . -4.893007 . 'relative height' bmse001317 4
9 . -4.500067 . 'relative height' bmse001317 4
10 . -4.371688 . 'relative height' bmse001317 4
11 . -4.751713 . 'relative height' bmse001317 4
12 . 8.275076 . 'relative height' bmse001317 4
13 . 10.58699 . 'relative height' bmse001317 4
14 . -5.080187 . 'relative height' bmse001317 4
15 . -5.001917 . 'relative height' bmse001317 4
16 . 10.02183 . 'relative height' bmse001317 4
17 . -4.747859 . 'relative height' bmse001317 4
18 . -4.8057 . 'relative height' bmse001317 4
19 . 12.11102 . 'relative height' bmse001317 4
20 . 8.955791 . 'relative height' bmse001317 4
21 . 10.02397 . 'relative height' bmse001317 4
22 . 15.0 . 'relative height' bmse001317 4
23 . 8.965806 . 'relative height' bmse001317 4
24 . -4.719115 . 'relative height' bmse001317 4
stop_
loop_
_Spectral_transition_char.Spectral_transition_ID
_Spectral_transition_char.Peak_ID
_Spectral_transition_char.Spectral_dim_ID
_Spectral_transition_char.Chem_shift_val
_Spectral_transition_char.Chem_shift_val_err
_Spectral_transition_char.Line_width_val
_Spectral_transition_char.Line_width_val_err
_Spectral_transition_char.Phase_val
_Spectral_transition_char.Phase_val_err
_Spectral_transition_char.Decay_rate_val
_Spectral_transition_char.Decay_rate_val_err
_Spectral_transition_char.Bounding_box_upper_val
_Spectral_transition_char.Bounding_box_lower_val
_Spectral_transition_char.Bounding_box_width_val
_Spectral_transition_char.Derivation_method_ID
_Spectral_transition_char.Entry_ID
_Spectral_transition_char.Spectral_peak_list_ID
1 . 1 76.76358 . . . . . . . . . . . bmse001317 4
2 . 1 68.909027 . . . . . . . . . . . bmse001317 4
3 . 1 66.118599 . . . . . . . . . . . bmse001317 4
4 . 1 60.12825 . . . . . . . . . . . bmse001317 4
5 . 1 53.820625 . . . . . . . . . . . bmse001317 4
6 . 1 48.421192 . . . . . . . . . . . bmse001317 4
7 . 1 48.188633 . . . . . . . . . . . bmse001317 4
8 . 1 46.115108 . . . . . . . . . . . bmse001317 4
9 . 1 38.154297 . . . . . . . . . . . bmse001317 4
10 . 1 35.628525 . . . . . . . . . . . bmse001317 4
11 . 1 34.860779 . . . . . . . . . . . bmse001317 4
12 . 1 32.516361 . . . . . . . . . . . bmse001317 4
13 . 1 30.810995 . . . . . . . . . . . bmse001317 4
14 . 1 30.348557 . . . . . . . . . . . bmse001317 4
15 . 1 29.900076 . . . . . . . . . . . bmse001317 4
16 . 1 26.785797 . . . . . . . . . . . bmse001317 4
17 . 1 26.764414 . . . . . . . . . . . bmse001317 4
18 . 1 24.314775 . . . . . . . . . . . bmse001317 4
19 . 1 18.930418 . . . . . . . . . . . bmse001317 4
20 . 1 16.736403 . . . . . . . . . . . bmse001317 4
21 . 1 16.68902 . . . . . . . . . . . bmse001317 4
22 . 1 16.553072 . . . . . . . . . . . bmse001317 4
23 . 1 15.521673 . . . . . . . . . . . bmse001317 4
24 . 1 15.490297 . . . . . . . . . . . bmse001317 4
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peaks_2D_1H-13C_HSQC_set01
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peaks_2D_1H-13C_HSQC_set01
_Spectral_peak_list.Entry_ID bmse001317
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name .
_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 6
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01
_Spectral_peak_list.Details 'F1: 13C, F2: 1H'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . C 13 'Full C' . . 165.00 ppm . . . . . . bmse001317 5
2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001317 5
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_topspin . . bmse001317 5
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Peak_ID
_Spectral_transition.Figure_of_merit
_Spectral_transition.Details
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 . . . bmse001317 5
2 . . . bmse001317 5
3 . . . bmse001317 5
4 . . . bmse001317 5
5 . . . bmse001317 5
6 . . . bmse001317 5
7 . . . bmse001317 5
8 . . . bmse001317 5
9 . . . bmse001317 5
10 . . . bmse001317 5
11 . . . bmse001317 5
12 . . . bmse001317 5
13 . . . bmse001317 5
14 . . . bmse001317 5
15 . . . bmse001317 5
16 . . . bmse001317 5
17 . . . bmse001317 5
18 . . . bmse001317 5
19 . . . bmse001317 5
20 . . . bmse001317 5
21 . . . bmse001317 5
22 . . . bmse001317 5
23 . . . bmse001317 5
24 . . . bmse001317 5
25 . . . bmse001317 5
26 . . . bmse001317 5
27 . . . bmse001317 5
28 . . . bmse001317 5
29 . . . bmse001317 5
30 . . . bmse001317 5
31 . . . bmse001317 5
stop_
loop_
_Spectral_transition_general_char.Spectral_transition_ID
_Spectral_transition_general_char.Peak_ID
_Spectral_transition_general_char.Intensity_val
_Spectral_transition_general_char.Intensity_val_err
_Spectral_transition_general_char.Measurement_method
_Spectral_transition_general_char.Entry_ID
_Spectral_transition_general_char.Spectral_peak_list_ID
1 . 75307.5771484375 . 'relative height' bmse001317 5
2 . 64757.48828125 . 'relative height' bmse001317 5
3 . 59579.015625 . 'relative height' bmse001317 5
4 . 62549.0693359375 . 'relative height' bmse001317 5
5 . 51487.345703125 . 'relative height' bmse001317 5
6 . 48914.333984375 . 'relative height' bmse001317 5
7 . 44922.892578125 . 'relative height' bmse001317 5
8 . 65171.3076171875 . 'relative height' bmse001317 5
9 . 48326.3564453125 . 'relative height' bmse001317 5
10 . 45151.630859375 . 'relative height' bmse001317 5
11 . 47002.548828125 . 'relative height' bmse001317 5
12 . 53081.94140625 . 'relative height' bmse001317 5
13 . 33714.9853515625 . 'relative height' bmse001317 5
14 . 36701.1279296875 . 'relative height' bmse001317 5
15 . 43727.044921875 . 'relative height' bmse001317 5
16 . 261678.2470703125 . 'relative height' bmse001317 5
17 . 184053.431640625 . 'relative height' bmse001317 5
18 . 43310.1044921875 . 'relative height' bmse001317 5
19 . 35254.22265625 . 'relative height' bmse001317 5
20 . 28672.3154296875 . 'relative height' bmse001317 5
21 . 42372.1435546875 . 'relative height' bmse001317 5
22 . 170012.4033203125 . 'relative height' bmse001317 5
23 . 84400.791015625 . 'relative height' bmse001317 5
24 . 27363.681640625 . 'relative height' bmse001317 5
25 . 26960.166015625 . 'relative height' bmse001317 5
26 . 144426.0859375 . 'relative height' bmse001317 5
27 . 186493.10546875 . 'relative height' bmse001317 5
28 . 33761.7001953125 . 'relative height' bmse001317 5
29 . 27090.1611328125 . 'relative height' bmse001317 5
30 . 120094.8046875 . 'relative height' bmse001317 5
31 . 259117.5380859375 . 'relative height' bmse001317 5
stop_
loop_
_Spectral_transition_char.Spectral_transition_ID
_Spectral_transition_char.Peak_ID
_Spectral_transition_char.Spectral_dim_ID
_Spectral_transition_char.Chem_shift_val
_Spectral_transition_char.Chem_shift_val_err
_Spectral_transition_char.Line_width_val
_Spectral_transition_char.Line_width_val_err
_Spectral_transition_char.Phase_val
_Spectral_transition_char.Phase_val_err
_Spectral_transition_char.Decay_rate_val
_Spectral_transition_char.Decay_rate_val_err
_Spectral_transition_char.Bounding_box_upper_val
_Spectral_transition_char.Bounding_box_lower_val
_Spectral_transition_char.Bounding_box_width_val
_Spectral_transition_char.Derivation_method_ID
_Spectral_transition_char.Entry_ID
_Spectral_transition_char.Spectral_peak_list_ID
1 . 1 76.7104831648242 . . . . . . . . . . . bmse001317 5
1 . 2 2.9285537576232388 . . . . . . . . . . . bmse001317 5
2 . 1 68.9160700362346 . . . . . . . . . . . bmse001317 5
2 . 2 3.3676139480736027 . . . . . . . . . . . bmse001317 5
3 . 1 66.16839922112028 . . . . . . . . . . . bmse001317 5
3 . 2 3.8623924368044693 . . . . . . . . . . . bmse001317 5
4 . 1 59.99554523230599 . . . . . . . . . . . bmse001317 5
4 . 2 0.7639501740080668 . . . . . . . . . . . bmse001317 5
5 . 1 53.757240785814616 . . . . . . . . . . . bmse001317 5
5 . 2 1.8245405751575638 . . . . . . . . . . . bmse001317 5
6 . 1 48.40462153851645 . . . . . . . . . . . bmse001317 5
6 . 2 1.3226903278703497 . . . . . . . . . . . bmse001317 5
7 . 1 48.135065173544604 . . . . . . . . . . . bmse001317 5
7 . 2 1.4832011357071508 . . . . . . . . . . . bmse001317 5
8 . 1 46.05563035804748 . . . . . . . . . . . bmse001317 5
8 . 2 1.3958344934668667 . . . . . . . . . . . bmse001317 5
9 . 1 46.05563035804748 . . . . . . . . . . . bmse001317 5
9 . 2 1.491328265217875 . . . . . . . . . . . bmse001317 5
10 . 1 38.07649925640255 . . . . . . . . . . . bmse001317 5
10 . 2 0.92852097932484 . . . . . . . . . . . bmse001317 5
11 . 1 38.07649925640255 . . . . . . . . . . . bmse001317 5
11 . 2 1.5510520904630851 . . . . . . . . . . . bmse001317 5
12 . 1 35.42946989633178 . . . . . . . . . . . bmse001317 5
12 . 2 1.5167601224766563 . . . . . . . . . . . bmse001317 5
13 . 1 35.42946989633178 . . . . . . . . . . . bmse001317 5
13 . 2 1.297819096101765 . . . . . . . . . . . bmse001317 5
14 . 1 34.81861696708468 . . . . . . . . . . . bmse001317 5
14 . 2 1.1843918173774237 . . . . . . . . . . . bmse001317 5
15 . 1 34.8864895147788 . . . . . . . . . . . bmse001317 5
15 . 2 1.5378628720067662 . . . . . . . . . . . bmse001317 5
16 . 1 32.44307779779041 . . . . . . . . . . . bmse001317 5
16 . 2 1.1131700377133025 . . . . . . . . . . . bmse001317 5
17 . 1 30.74626410543735 . . . . . . . . . . . bmse001317 5
17 . 2 1.2186837853638526 . . . . . . . . . . . bmse001317 5
18 . 1 30.271156271578494 . . . . . . . . . . . bmse001317 5
18 . 2 0.9364345103986312 . . . . . . . . . . . bmse001317 5
19 . 1 30.339028819272617 . . . . . . . . . . . bmse001317 5
19 . 2 1.4508140301950625 . . . . . . . . . . . bmse001317 5
20 . 1 29.72817589002552 . . . . . . . . . . . bmse001317 5
20 . 2 1.0208455085190713 . . . . . . . . . . . bmse001317 5
21 . 1 29.79604843771964 . . . . . . . . . . . bmse001317 5
21 . 2 1.6750307439524812 . . . . . . . . . . . bmse001317 5
22 . 1 26.809656339178265 . . . . . . . . . . . bmse001317 5
22 . 2 1.192305348451215 . . . . . . . . . . . bmse001317 5
23 . 1 26.606038696095897 . . . . . . . . . . . bmse001317 5
23 . 2 1.45608971757759 . . . . . . . . . . . bmse001317 5
24 . 1 24.366244622189864 . . . . . . . . . . . bmse001317 5
24 . 2 1.1843918173774237 . . . . . . . . . . . bmse001317 5
25 . 1 24.29837207449574 . . . . . . . . . . . bmse001317 5
25 . 2 1.7330633051602837 . . . . . . . . . . . bmse001317 5
26 . 1 18.93644080666009 . . . . . . . . . . . bmse001317 5
26 . 2 1.1158078814045662 . . . . . . . . . . . bmse001317 5
27 . 1 15.54281342195398 . . . . . . . . . . . bmse001317 5
27 . 2 0.8388342938218725 . . . . . . . . . . . bmse001317 5
28 . 1 15.54281342195398 . . . . . . . . . . . bmse001317 5
28 . 2 1.51939796616792 . . . . . . . . . . . bmse001317 5
29 . 1 15.54281342195398 . . . . . . . . . . . bmse001317 5
29 . 2 1.7462525236166024 . . . . . . . . . . . bmse001317 5
30 . 1 16.49302908967169 . . . . . . . . . . . bmse001317 5
30 . 2 0.9654507910025325 . . . . . . . . . . . bmse001317 5
31 . 1 16.76451928044818 . . . . . . . . . . . bmse001317 5
31 . 2 0.8414721375131362 . . . . . . . . . . . bmse001317 5
stop_
save_