#########################
# 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 bmse001214
_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.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 . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 1
2 . . . bmse001214 1
3 . . . bmse001214 1
4 . . . bmse001214 1
5 . . . bmse001214 1
6 . . . bmse001214 1
7 . . . bmse001214 1
8 . . . bmse001214 1
9 . . . bmse001214 1
10 . . . bmse001214 1
11 . . . bmse001214 1
12 . . . bmse001214 1
13 . . . bmse001214 1
14 . . . bmse001214 1
15 . . . bmse001214 1
16 . . . bmse001214 1
17 . . . bmse001214 1
18 . . . bmse001214 1
19 . . . bmse001214 1
20 . . . bmse001214 1
21 . . . bmse001214 1
22 . . . bmse001214 1
23 . . . bmse001214 1
24 . . . bmse001214 1
25 . . . bmse001214 1
26 . . . bmse001214 1
27 . . . bmse001214 1
28 . . . bmse001214 1
29 . . . bmse001214 1
30 . . . bmse001214 1
31 . . . bmse001214 1
32 . . . bmse001214 1
33 . . . bmse001214 1
34 . . . bmse001214 1
35 . . . bmse001214 1
36 . . . bmse001214 1
37 . . . bmse001214 1
38 . . . bmse001214 1
39 . . . bmse001214 1
40 . . . bmse001214 1
41 . . . bmse001214 1
42 . . . bmse001214 1
43 . . . bmse001214 1
44 . . . bmse001214 1
45 . . . bmse001214 1
46 . . . bmse001214 1
47 . . . bmse001214 1
48 . . . bmse001214 1
49 . . . bmse001214 1
50 . . . bmse001214 1
51 . . . bmse001214 1
52 . . . bmse001214 1
53 . . . bmse001214 1
54 . . . bmse001214 1
55 . . . bmse001214 1
56 . . . bmse001214 1
57 . . . bmse001214 1
58 . . . bmse001214 1
59 . . . bmse001214 1
60 . . . bmse001214 1
61 . . . bmse001214 1
62 . . . bmse001214 1
63 . . . bmse001214 1
64 . . . bmse001214 1
65 . . . bmse001214 1
66 . . . bmse001214 1
67 . . . bmse001214 1
68 . . . bmse001214 1
69 . . . bmse001214 1
70 . . . bmse001214 1
71 . . . bmse001214 1
72 . . . bmse001214 1
73 . . . bmse001214 1
74 . . . bmse001214 1
75 . . . bmse001214 1
76 . . . bmse001214 1
77 . . . bmse001214 1
78 . . . bmse001214 1
79 . . . bmse001214 1
80 . . . bmse001214 1
81 . . . bmse001214 1
82 . . . bmse001214 1
83 . . . bmse001214 1
84 . . . bmse001214 1
85 . . . bmse001214 1
86 . . . bmse001214 1
87 . . . bmse001214 1
88 . . . bmse001214 1
89 . . . bmse001214 1
90 . . . bmse001214 1
91 . . . bmse001214 1
92 . . . bmse001214 1
93 . . . bmse001214 1
94 . . . bmse001214 1
95 . . . bmse001214 1
96 . . . bmse001214 1
97 . . . bmse001214 1
98 . . . bmse001214 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 . 1.45 . 'relative height' bmse001214 1
2 . 7.32 . 'relative height' bmse001214 1
3 . 0.16 . 'relative height' bmse001214 1
4 . 0.17 . 'relative height' bmse001214 1
5 . 0.17 . 'relative height' bmse001214 1
6 . 0.17 . 'relative height' bmse001214 1
7 . 0.16 . 'relative height' bmse001214 1
8 . 0.15 . 'relative height' bmse001214 1
9 . 1.09 . 'relative height' bmse001214 1
10 . 1.14 . 'relative height' bmse001214 1
11 . 1.20 . 'relative height' bmse001214 1
12 . 1.33 . 'relative height' bmse001214 1
13 . 0.60 . 'relative height' bmse001214 1
14 . 0.57 . 'relative height' bmse001214 1
15 . 1.14 . 'relative height' bmse001214 1
16 . 0.75 . 'relative height' bmse001214 1
17 . 0.90 . 'relative height' bmse001214 1
18 . 1.27 . 'relative height' bmse001214 1
19 . 0.57 . 'relative height' bmse001214 1
20 . 0.56 . 'relative height' bmse001214 1
21 . 0.53 . 'relative height' bmse001214 1
22 . 0.96 . 'relative height' bmse001214 1
23 . 10.34 . 'relative height' bmse001214 1
24 . 0.24 . 'relative height' bmse001214 1
25 . 15.00 . 'relative height' bmse001214 1
26 . 0.90 . 'relative height' bmse001214 1
27 . 0.60 . 'relative height' bmse001214 1
28 . 0.59 . 'relative height' bmse001214 1
29 . 0.44 . 'relative height' bmse001214 1
30 . 0.49 . 'relative height' bmse001214 1
31 . 0.50 . 'relative height' bmse001214 1
32 . 0.47 . 'relative height' bmse001214 1
33 . 0.52 . 'relative height' bmse001214 1
34 . 0.68 . 'relative height' bmse001214 1
35 . 0.70 . 'relative height' bmse001214 1
36 . 0.54 . 'relative height' bmse001214 1
37 . 0.17 . 'relative height' bmse001214 1
38 . 0.18 . 'relative height' bmse001214 1
39 . 0.19 . 'relative height' bmse001214 1
40 . 0.20 . 'relative height' bmse001214 1
41 . 0.25 . 'relative height' bmse001214 1
42 . 0.36 . 'relative height' bmse001214 1
43 . 0.42 . 'relative height' bmse001214 1
44 . 0.34 . 'relative height' bmse001214 1
45 . 0.26 . 'relative height' bmse001214 1
46 . 0.33 . 'relative height' bmse001214 1
47 . 0.31 . 'relative height' bmse001214 1
48 . 0.28 . 'relative height' bmse001214 1
49 . 0.26 . 'relative height' bmse001214 1
50 . 0.87 . 'relative height' bmse001214 1
51 . 0.59 . 'relative height' bmse001214 1
52 . 0.42 . 'relative height' bmse001214 1
53 . 0.42 . 'relative height' bmse001214 1
54 . 1.64 . 'relative height' bmse001214 1
55 . 2.06 . 'relative height' bmse001214 1
56 . 1.42 . 'relative height' bmse001214 1
57 . 0.35 . 'relative height' bmse001214 1
58 . 0.39 . 'relative height' bmse001214 1
59 . 0.65 . 'relative height' bmse001214 1
60 . 0.56 . 'relative height' bmse001214 1
61 . 0.33 . 'relative height' bmse001214 1
62 . 0.23 . 'relative height' bmse001214 1
63 . 0.59 . 'relative height' bmse001214 1
64 . 0.42 . 'relative height' bmse001214 1
65 . 0.44 . 'relative height' bmse001214 1
66 . 0.62 . 'relative height' bmse001214 1
67 . 0.40 . 'relative height' bmse001214 1
68 . 0.95 . 'relative height' bmse001214 1
69 . 0.88 . 'relative height' bmse001214 1
70 . 0.31 . 'relative height' bmse001214 1
71 . 0.40 . 'relative height' bmse001214 1
72 . 0.30 . 'relative height' bmse001214 1
73 . 0.27 . 'relative height' bmse001214 1
74 . 0.37 . 'relative height' bmse001214 1
75 . 0.27 . 'relative height' bmse001214 1
76 . 0.20 . 'relative height' bmse001214 1
77 . 0.33 . 'relative height' bmse001214 1
78 . 0.48 . 'relative height' bmse001214 1
79 . 0.42 . 'relative height' bmse001214 1
80 . 0.54 . 'relative height' bmse001214 1
81 . 0.68 . 'relative height' bmse001214 1
82 . 0.63 . 'relative height' bmse001214 1
83 . 0.57 . 'relative height' bmse001214 1
84 . 0.33 . 'relative height' bmse001214 1
85 . 0.24 . 'relative height' bmse001214 1
86 . 0.49 . 'relative height' bmse001214 1
87 . 0.40 . 'relative height' bmse001214 1
88 . 0.12 . 'relative height' bmse001214 1
89 . 0.32 . 'relative height' bmse001214 1
90 . 0.30 . 'relative height' bmse001214 1
91 . 0.46 . 'relative height' bmse001214 1
92 . 0.48 . 'relative height' bmse001214 1
93 . 0.77 . 'relative height' bmse001214 1
94 . 0.41 . 'relative height' bmse001214 1
95 . 0.33 . 'relative height' bmse001214 1
96 . 0.77 . 'relative height' bmse001214 1
97 . 0.76 . 'relative height' bmse001214 1
98 . 0.28 . 'relative height' bmse001214 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 10.7236 . . . . . . . . . . . bmse001214 1
2 . 1 7.3726 . . . . . . . . . . . bmse001214 1
3 . 1 7.3675 . . . . . . . . . . . bmse001214 1
4 . 1 7.3664 . . . . . . . . . . . bmse001214 1
5 . 1 7.3655 . . . . . . . . . . . bmse001214 1
6 . 1 7.3646 . . . . . . . . . . . bmse001214 1
7 . 1 7.3637 . . . . . . . . . . . bmse001214 1
8 . 1 7.3626 . . . . . . . . . . . bmse001214 1
9 . 1 7.3543 . . . . . . . . . . . bmse001214 1
10 . 1 7.3389 . . . . . . . . . . . bmse001214 1
11 . 1 7.2779 . . . . . . . . . . . bmse001214 1
12 . 1 7.2619 . . . . . . . . . . . bmse001214 1
13 . 1 7.0240 . . . . . . . . . . . bmse001214 1
14 . 1 7.0223 . . . . . . . . . . . bmse001214 1
15 . 1 7.0081 . . . . . . . . . . . bmse001214 1
16 . 1 6.9940 . . . . . . . . . . . bmse001214 1
17 . 1 6.9505 . . . . . . . . . . . bmse001214 1
18 . 1 6.9349 . . . . . . . . . . . bmse001214 1
19 . 1 6.9208 . . . . . . . . . . . bmse001214 1
20 . 1 4.9218 . . . . . . . . . . . bmse001214 1
21 . 1 4.9165 . . . . . . . . . . . bmse001214 1
22 . 1 3.9838 . . . . . . . . . . . bmse001214 1
23 . 1 3.5438 . . . . . . . . . . . bmse001214 1
24 . 1 3.3940 . . . . . . . . . . . bmse001214 1
25 . 1 3.3593 . . . . . . . . . . . bmse001214 1
26 . 1 3.3370 . . . . . . . . . . . bmse001214 1
27 . 1 3.2225 . . . . . . . . . . . bmse001214 1
28 . 1 3.2012 . . . . . . . . . . . bmse001214 1
29 . 1 2.9851 . . . . . . . . . . . bmse001214 1
30 . 1 2.9748 . . . . . . . . . . . bmse001214 1
31 . 1 2.9630 . . . . . . . . . . . bmse001214 1
32 . 1 2.9526 . . . . . . . . . . . bmse001214 1
33 . 1 2.8735 . . . . . . . . . . . bmse001214 1
34 . 1 2.8678 . . . . . . . . . . . bmse001214 1
35 . 1 2.8531 . . . . . . . . . . . bmse001214 1
36 . 1 2.8476 . . . . . . . . . . . bmse001214 1
37 . 1 2.7907 . . . . . . . . . . . bmse001214 1
38 . 1 2.7867 . . . . . . . . . . . bmse001214 1
39 . 1 2.7797 . . . . . . . . . . . bmse001214 1
40 . 1 2.7750 . . . . . . . . . . . bmse001214 1
41 . 1 2.7678 . . . . . . . . . . . bmse001214 1
42 . 1 2.7614 . . . . . . . . . . . bmse001214 1
43 . 1 2.7567 . . . . . . . . . . . bmse001214 1
44 . 1 2.7516 . . . . . . . . . . . bmse001214 1
45 . 1 2.7456 . . . . . . . . . . . bmse001214 1
46 . 1 2.7383 . . . . . . . . . . . bmse001214 1
47 . 1 2.7339 . . . . . . . . . . . bmse001214 1
48 . 1 2.7269 . . . . . . . . . . . bmse001214 1
49 . 1 2.7231 . . . . . . . . . . . bmse001214 1
50 . 1 2.7009 . . . . . . . . . . . bmse001214 1
51 . 1 2.5940 . . . . . . . . . . . bmse001214 1
52 . 1 2.5716 . . . . . . . . . . . bmse001214 1
53 . 1 2.5677 . . . . . . . . . . . bmse001214 1
54 . 1 2.5115 . . . . . . . . . . . bmse001214 1
55 . 1 2.5081 . . . . . . . . . . . bmse001214 1
56 . 1 2.5046 . . . . . . . . . . . bmse001214 1
57 . 1 2.4868 . . . . . . . . . . . bmse001214 1
58 . 1 2.4787 . . . . . . . . . . . bmse001214 1
59 . 1 2.4642 . . . . . . . . . . . bmse001214 1
60 . 1 2.4561 . . . . . . . . . . . bmse001214 1
61 . 1 2.4416 . . . . . . . . . . . bmse001214 1
62 . 1 2.4336 . . . . . . . . . . . bmse001214 1
63 . 1 2.1419 . . . . . . . . . . . bmse001214 1
64 . 1 2.1362 . . . . . . . . . . . bmse001214 1
65 . 1 2.1224 . . . . . . . . . . . bmse001214 1
66 . 1 2.1170 . . . . . . . . . . . bmse001214 1
67 . 1 2.0228 . . . . . . . . . . . bmse001214 1
68 . 1 2.0021 . . . . . . . . . . . bmse001214 1
69 . 1 1.9816 . . . . . . . . . . . bmse001214 1
70 . 1 1.9672 . . . . . . . . . . . bmse001214 1
71 . 1 1.9607 . . . . . . . . . . . bmse001214 1
72 . 1 1.9535 . . . . . . . . . . . bmse001214 1
73 . 1 1.9461 . . . . . . . . . . . bmse001214 1
74 . 1 1.9394 . . . . . . . . . . . bmse001214 1
75 . 1 1.9320 . . . . . . . . . . . bmse001214 1
76 . 1 1.9184 . . . . . . . . . . . bmse001214 1
77 . 1 1.9066 . . . . . . . . . . . bmse001214 1
78 . 1 1.8975 . . . . . . . . . . . bmse001214 1
79 . 1 1.8899 . . . . . . . . . . . bmse001214 1
80 . 1 1.8815 . . . . . . . . . . . bmse001214 1
81 . 1 1.8719 . . . . . . . . . . . bmse001214 1
82 . 1 1.8662 . . . . . . . . . . . bmse001214 1
83 . 1 1.8604 . . . . . . . . . . . bmse001214 1
84 . 1 1.8439 . . . . . . . . . . . bmse001214 1
85 . 1 1.8347 . . . . . . . . . . . bmse001214 1
86 . 1 1.6184 . . . . . . . . . . . bmse001214 1
87 . 1 1.5951 . . . . . . . . . . . bmse001214 1
88 . 1 1.3945 . . . . . . . . . . . bmse001214 1
89 . 1 1.3760 . . . . . . . . . . . bmse001214 1
90 . 1 1.3697 . . . . . . . . . . . bmse001214 1
91 . 1 1.3488 . . . . . . . . . . . bmse001214 1
92 . 1 1.3412 . . . . . . . . . . . bmse001214 1
93 . 1 1.3303 . . . . . . . . . . . bmse001214 1
94 . 1 1.3167 . . . . . . . . . . . bmse001214 1
95 . 1 1.2747 . . . . . . . . . . . bmse001214 1
96 . 1 1.2505 . . . . . . . . . . . bmse001214 1
97 . 1 1.2271 . . . . . . . . . . . bmse001214 1
98 . 1 1.2030 . . . . . . . . . . . bmse001214 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 bmse001214
_Spectral_peak_list.ID 2
_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 . . . . . . bmse001214 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 . . bmse001214 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
1 . . . bmse001214 2
2 . . . bmse001214 2
3 . . . bmse001214 2
4 . . . bmse001214 2
5 . . . bmse001214 2
6 . . . bmse001214 2
7 . . . bmse001214 2
8 . . . bmse001214 2
9 . . . bmse001214 2
10 . . . bmse001214 2
11 . . . bmse001214 2
12 . . . bmse001214 2
13 . . . bmse001214 2
14 . . . bmse001214 2
15 . . . bmse001214 2
16 . . . bmse001214 2
17 . . . bmse001214 2
18 . . . bmse001214 2
19 . . . bmse001214 2
20 . . . bmse001214 2
21 . . . bmse001214 2
22 . . . bmse001214 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
1 . 0.24 . 'relative height' bmse001214 2
2 . 0.18 . 'relative height' bmse001214 2
3 . 0.20 . 'relative height' bmse001214 2
4 . 1.54 . 'relative height' bmse001214 2
5 . 0.17 . 'relative height' bmse001214 2
6 . 0.22 . 'relative height' bmse001214 2
7 . 0.19 . 'relative height' bmse001214 2
8 . 0.22 . 'relative height' bmse001214 2
9 . 0.22 . 'relative height' bmse001214 2
10 . 0.22 . 'relative height' bmse001214 2
11 . 0.23 . 'relative height' bmse001214 2
12 . 0.21 . 'relative height' bmse001214 2
13 . 0.25 . 'relative height' bmse001214 2
14 . 0.21 . 'relative height' bmse001214 2
15 . 0.35 . 'relative height' bmse001214 2
16 . 0.25 . 'relative height' bmse001214 2
17 . 0.27 . 'relative height' bmse001214 2
18 . 0.27 . 'relative height' bmse001214 2
19 . 0.21 . 'relative height' bmse001214 2
20 . 0.18 . 'relative height' bmse001214 2
21 . 0.21 . 'relative height' bmse001214 2
22 . 0.20 . 'relative height' bmse001214 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
1 . 1 172.6461 . . . . . . . . . . . bmse001214 2
2 . 1 135.9202 . . . . . . . . . . . bmse001214 2
3 . 1 135.6996 . . . . . . . . . . . bmse001214 2
4 . 1 128.3555 . . . . . . . . . . . bmse001214 2
5 . 1 126.6247 . . . . . . . . . . . bmse001214 2
6 . 1 120.3137 . . . . . . . . . . . bmse001214 2
7 . 1 118.2992 . . . . . . . . . . . bmse001214 2
8 . 1 117.4558 . . . . . . . . . . . bmse001214 2
9 . 1 110.9702 . . . . . . . . . . . bmse001214 2
10 . 1 106.1907 . . . . . . . . . . . bmse001214 2
11 . 1 65.6042 . . . . . . . . . . . bmse001214 2
12 . 1 61.8101 . . . . . . . . . . . bmse001214 2
13 . 1 60.2621 . . . . . . . . . . . bmse001214 2
14 . 1 52.4331 . . . . . . . . . . . bmse001214 2
15 . 1 51.1197 . . . . . . . . . . . bmse001214 2
16 . 1 50.9808 . . . . . . . . . . . bmse001214 2
17 . 1 36.4205 . . . . . . . . . . . bmse001214 2
18 . 1 34.6761 . . . . . . . . . . . bmse001214 2
19 . 1 33.6362 . . . . . . . . . . . bmse001214 2
20 . 1 28.0979 . . . . . . . . . . . bmse001214 2
21 . 1 23.4137 . . . . . . . . . . . bmse001214 2
22 . 1 21.5986 . . . . . . . . . . . bmse001214 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
1 1 . . . . 21 172.6461 1 . 1 1 1 BMET001214 C21 . . . bmse001214 2
5 1 . . . . 13 126.6247 1 . 1 1 1 BMET001214 C13 . . . bmse001214 2
6 1 . . . . 3 120.3137 1 . 1 1 1 BMET001214 C3 . . . bmse001214 2
7 1 . . . . 2 118.2992 1 . 1 1 1 BMET001214 C2 . . . bmse001214 2
8 1 . . . . 4 117.4558 1 . 1 1 1 BMET001214 C4 . . . bmse001214 2
9 1 . . . . 5 110.9702 1 . 1 1 1 BMET001214 C5 . . . bmse001214 2
10 1 . . . . 14 106.1907 1 . 1 1 1 BMET001214 C14 . . . bmse001214 2
11 1 . . . . 18 65.6042 1 . 1 1 1 BMET001214 C18 . . . bmse001214 2
12 1 . . . . 11 61.8101 1 . 1 1 1 BMET001214 C11 . . . bmse001214 2
13 1 . . . . 17 60.2621 1 . 1 1 1 BMET001214 C17 . . . bmse001214 2
14 1 . . . . 9 52.4331 1 . 1 1 1 BMET001214 C9 . . . bmse001214 2
15 1 . . . . 1 51.1197 1 . 1 1 1 BMET001214 C1 . . . bmse001214 2
16 1 . . . . 19 50.9808 1 . 1 1 1 BMET001214 C19 . . . bmse001214 2
17 1 . . . . 15 36.4205 1 . 1 1 1 BMET001214 C15 . . . bmse001214 2
18 1 . . . . 12 34.6761 1 . 1 1 1 BMET001214 C12 . . . bmse001214 2
19 1 . . . . 10 33.6362 1 . 1 1 1 BMET001214 C10 . . . bmse001214 2
20 1 . . . . 7 28.0979 1 . 1 1 1 BMET001214 C7 . . . bmse001214 2
21 1 . . . . 6 23.4137 1 . 1 1 1 BMET001214 C6 . . . bmse001214 2
22 1 . . . . 8 21.5986 1 . 1 1 1 BMET001214 C8 . . . bmse001214 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 bmse001214
_Spectral_peak_list.ID 3
_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 . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 3
2 . . . bmse001214 3
3 . . . bmse001214 3
4 . . . bmse001214 3
5 . . . bmse001214 3
6 . . . bmse001214 3
7 . . . bmse001214 3
8 . . . bmse001214 3
9 . . . bmse001214 3
10 . . . bmse001214 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 . 15.00 . 'relative height' bmse001214 3
2 . 7.69 . 'relative height' bmse001214 3
3 . 7.75 . 'relative height' bmse001214 3
4 . 8.50 . 'relative height' bmse001214 3
5 . 7.62 . 'relative height' bmse001214 3
6 . 8.55 . 'relative height' bmse001214 3
7 . 8.28 . 'relative height' bmse001214 3
8 . 8.34 . 'relative height' bmse001214 3
9 . 7.49 . 'relative height' bmse001214 3
10 . 7.51 . 'relative height' bmse001214 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 . 1 128.3569 . . . . . . . . . . . bmse001214 3
2 . 1 120.3153 . . . . . . . . . . . bmse001214 3
3 . 1 118.3000 . . . . . . . . . . . bmse001214 3
4 . 1 117.4564 . . . . . . . . . . . bmse001214 3
5 . 1 110.9709 . . . . . . . . . . . bmse001214 3
6 . 1 65.6059 . . . . . . . . . . . bmse001214 3
7 . 1 60.2644 . . . . . . . . . . . bmse001214 3
8 . 1 50.9811 . . . . . . . . . . . bmse001214 3
9 . 1 36.4221 . . . . . . . . . . . bmse001214 3
10 . 1 34.6778 . . . . . . . . . . . bmse001214 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 bmse001214
_Spectral_peak_list.ID 4
_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 . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 4
2 . . . bmse001214 4
3 . . . bmse001214 4
4 . . . bmse001214 4
5 . . . bmse001214 4
6 . . . bmse001214 4
7 . . . bmse001214 4
8 . . . bmse001214 4
9 . . . bmse001214 4
10 . . . bmse001214 4
11 . . . bmse001214 4
12 . . . bmse001214 4
13 . . . bmse001214 4
14 . . . bmse001214 4
15 . . . bmse001214 4
16 . . . bmse001214 4
17 . . . bmse001214 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 . 5.92 . 'relative height' bmse001214 4
2 . 4.59 . 'relative height' bmse001214 4
3 . 4.94 . 'relative height' bmse001214 4
4 . 5.94 . 'relative height' bmse001214 4
5 . 4.50 . 'relative height' bmse001214 4
6 . 6.07 . 'relative height' bmse001214 4
7 . -5.61 . 'relative height' bmse001214 4
8 . 5.38 . 'relative height' bmse001214 4
9 . -5.57 . 'relative height' bmse001214 4
10 . 15.00 . 'relative height' bmse001214 4
11 . 5.98 . 'relative height' bmse001214 4
12 . 4.70 . 'relative height' bmse001214 4
13 . 5.59 . 'relative height' bmse001214 4
14 . -5.26 . 'relative height' bmse001214 4
15 . -4.42 . 'relative height' bmse001214 4
16 . -5.30 . 'relative height' bmse001214 4
17 . -5.03 . 'relative height' bmse001214 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 . 1 128.1050 . . . . . . . . . . . bmse001214 4
2 . 1 120.0651 . . . . . . . . . . . bmse001214 4
3 . 1 118.0503 . . . . . . . . . . . bmse001214 4
4 . 1 117.2061 . . . . . . . . . . . bmse001214 4
5 . 1 110.7208 . . . . . . . . . . . bmse001214 4
6 . 1 65.3557 . . . . . . . . . . . bmse001214 4
7 . 1 61.5613 . . . . . . . . . . . bmse001214 4
8 . 1 60.0144 . . . . . . . . . . . bmse001214 4
9 . 1 52.1838 . . . . . . . . . . . bmse001214 4
10 . 1 50.8736 . . . . . . . . . . . bmse001214 4
11 . 1 50.7300 . . . . . . . . . . . bmse001214 4
12 . 1 36.1704 . . . . . . . . . . . bmse001214 4
13 . 1 34.4268 . . . . . . . . . . . bmse001214 4
14 . 1 33.3866 . . . . . . . . . . . bmse001214 4
15 . 1 27.8496 . . . . . . . . . . . bmse001214 4
16 . 1 23.1648 . . . . . . . . . . . bmse001214 4
17 . 1 21.3495 . . . . . . . . . . . bmse001214 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 bmse001214
_Spectral_peak_list.ID 5
_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 . . . . . . bmse001214 5
2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001214 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 . . bmse001214 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 . . . bmse001214 5
2 . . . bmse001214 5
3 . . . bmse001214 5
4 . . . bmse001214 5
5 . . . bmse001214 5
6 . . . bmse001214 5
7 . . . bmse001214 5
8 . . . bmse001214 5
9 . . . bmse001214 5
10 . . . bmse001214 5
11 . . . bmse001214 5
12 . . . bmse001214 5
13 . . . bmse001214 5
14 . . . bmse001214 5
15 . . . bmse001214 5
16 . . . bmse001214 5
17 . . . bmse001214 5
18 . . . bmse001214 5
19 . . . bmse001214 5
20 . . . bmse001214 5
21 . . . bmse001214 5
22 . . . bmse001214 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 . 151687.81 . 'relative height' bmse001214 5
2 . 112169.38 . 'relative height' bmse001214 5
3 . 67476.68 . 'relative height' bmse001214 5
4 . 90154.19 . 'relative height' bmse001214 5
5 . 105253.31 . 'relative height' bmse001214 5
6 . 163060.90 . 'relative height' bmse001214 5
7 . 91770.12 . 'relative height' bmse001214 5
8 . 58440.33 . 'relative height' bmse001214 5
9 . 117462.46 . 'relative height' bmse001214 5
10 . 64772.73 . 'relative height' bmse001214 5
11 . 81761.85 . 'relative height' bmse001214 5
12 . 428752.39 . 'relative height' bmse001214 5
13 . 134714.83 . 'relative height' bmse001214 5
14 . 51733.35 . 'relative height' bmse001214 5
15 . 44923.30 . 'relative height' bmse001214 5
16 . 50833.65 . 'relative height' bmse001214 5
17 . 66022.14 . 'relative height' bmse001214 5
18 . 57986.13 . 'relative height' bmse001214 5
19 . 96011.17 . 'relative height' bmse001214 5
20 . 65543.07 . 'relative height' bmse001214 5
21 . 58039.79 . 'relative height' bmse001214 5
22 . 69157.43 . 'relative height' bmse001214 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 . 1 128.0129 . . . . . . . . . . . bmse001214 5
1 . 2 7.3766 . . . . . . . . . . . bmse001214 5
2 . 1 117.1942 . . . . . . . . . . . bmse001214 5
2 . 2 7.3537 . . . . . . . . . . . bmse001214 5
3 . 1 119.9801 . . . . . . . . . . . bmse001214 5
3 . 2 7.0130 . . . . . . . . . . . bmse001214 5
4 . 1 118.0300 . . . . . . . . . . . bmse001214 5
4 . 2 6.9422 . . . . . . . . . . . bmse001214 5
5 . 1 110.7402 . . . . . . . . . . . bmse001214 5
5 . 2 7.2737 . . . . . . . . . . . bmse001214 5
6 . 1 65.3282 . . . . . . . . . . . bmse001214 5
6 . 2 3.9755 . . . . . . . . . . . bmse001214 5
7 . 1 61.5738 . . . . . . . . . . . bmse001214 5
7 . 2 2.8588 . . . . . . . . . . . bmse001214 5
8 . 1 61.5268 . . . . . . . . . . . bmse001214 5
8 . 2 2.0012 . . . . . . . . . . . bmse001214 5
9 . 1 60.0250 . . . . . . . . . . . bmse001214 5
9 . 2 3.2072 . . . . . . . . . . . bmse001214 5
10 . 1 52.1875 . . . . . . . . . . . bmse001214 5
10 . 2 2.4657 . . . . . . . . . . . bmse001214 5
11 . 1 52.1875 . . . . . . . . . . . bmse001214 5
11 . 2 2.9705 . . . . . . . . . . . bmse001214 5
12 . 1 50.7796 . . . . . . . . . . . bmse001214 5
12 . 2 3.5378 . . . . . . . . . . . bmse001214 5
13 . 1 50.6857 . . . . . . . . . . . bmse001214 5
13 . 2 2.7025 . . . . . . . . . . . bmse001214 5
14 . 1 36.0112 . . . . . . . . . . . bmse001214 5
14 . 2 1.8645 . . . . . . . . . . . bmse001214 5
15 . 1 34.3576 . . . . . . . . . . . bmse001214 5
15 . 2 1.9742 . . . . . . . . . . . bmse001214 5
16 . 1 33.2553 . . . . . . . . . . . bmse001214 5
16 . 2 1.2430 . . . . . . . . . . . bmse001214 5
17 . 1 27.7893 . . . . . . . . . . . bmse001214 5
17 . 2 1.6086 . . . . . . . . . . . bmse001214 5
18 . 1 27.7893 . . . . . . . . . . . bmse001214 5
18 . 2 1.8678 . . . . . . . . . . . bmse001214 5
19 . 1 23.1501 . . . . . . . . . . . bmse001214 5
19 . 2 1.3361 . . . . . . . . . . . bmse001214 5
20 . 1 21.3128 . . . . . . . . . . . bmse001214 5
20 . 2 2.5857 . . . . . . . . . . . bmse001214 5
21 . 1 21.3128 . . . . . . . . . . . bmse001214 5
21 . 2 2.7552 . . . . . . . . . . . bmse001214 5
22 . 1 33.3841 . . . . . . . . . . . bmse001214 5
22 . 2 2.1320 . . . . . . . . . . . bmse001214 5
stop_
save_