Content for NMR-STAR saveframe, spectral_peak_list_3
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 31212
_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.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 3
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aromatic'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
# Number of peaks 102
#FORMAT cyana3D
#INAME 1 H
#INAME 2 h
#INAME 3 C
#CYANAFORMAT HhC
1 6.884 8.167 132.112 1 U 9.56e+04 0 e 0 0 0 0 0
2 6.884 6.655 132.185 1 U 2.35e+06 0 e 0 0 0 0 0
3 6.885 4.177 132.133 1 U 2.21e+05 0 e 0 0 0 0 0
4 6.886 3.588 132.117 1 U 8.65e+04 0 e 0 0 0 0 0
5 6.883 3.143 132.164 1 U 2.36e+05 0 e 0 0 0 0 0
6 6.884 2.980 132.191 1 U 2.28e+05 0 e 0 0 0 0 0
7 6.884 0.990 132.191 1 U 2.51e+05 0 e 0 0 0 0 0
8 6.880 0.640 132.126 1 U 9.54e+04 0 e 0 0 0 0 0
9 6.886 2.027 132.109 1 U 9.74e+04 0 e 0 0 0 0 0
10 6.652 3.588 118.508 1 U 1.22e+05 0 e 0 0 0 0 0
11 6.643 2.042 118.523 1 U 1.35e+05 0 e 0 0 0 0 0
12 6.646 6.885 118.509 1 U 2.81e+06 0 e 0 0 0 0 0
13 6.647 0.976 118.509 1 U 3.52e+05 0 e 0 0 0 0 0
14 6.645 0.641 118.509 1 U 2.08e+05 0 e 0 0 0 0 0
15 6.200 0.863 132.895 1 U 7.08e+05 0 e 0 0 0 0 0
16 6.199 1.926 132.864 1 U 4.54e+05 0 e 0 0 0 0 0
17 6.200 2.269 132.850 1 U 3.88e+05 0 e 0 0 0 0 0
18 6.200 4.246 132.865 1 U 2.11e+05 0 e 0 0 0 0 0
19 6.202 6.504 132.874 1 U 1.57e+06 0 e 0 0 0 0 0
20 6.193 7.441 132.883 1 U 1.17e+05 0 e 0 0 0 0 0
21 6.208 7.033 132.906 1 U 1.33e+05 0 e 0 0 0 0 0
22 6.495 7.468 116.782 1 U 1.85e+05 0 e 0 0 0 0 0
23 6.486 8.809 116.810 1 U 8.76e+04 0 e 0 0 0 0 0
24 6.495 6.219 116.858 1 U 1.68e+06 0 e 0 0 0 0 0
25 6.493 4.781 116.880 1 U 7.5e+05 0 e 0 0 0 0 0
26 6.501 3.700 116.885 1 U 8.83e+04 0 e 0 0 0 0 0
27 6.489 2.333 116.803 1 U 2.68e+05 0 e 0 0 0 0 0
28 6.491 2.157 116.825 1 U 2.05e+05 0 e 0 0 0 0 0
29 6.491 2.516 116.819 1 U 1.08e+05 0 e 0 0 0 0 0
30 6.493 1.925 116.819 1 U 1.11e+05 0 e 0 0 0 0 0
31 6.493 0.856 116.873 1 U 5.91e+05 0 e 0 0 0 0 0
32 6.713 7.829 134.133 1 U 2.82e+05 0 e 0 0 0 0 0
33 6.711 4.629 134.136 1 U 4.6e+05 0 e 0 0 0 0 0
34 6.713 4.110 134.177 1 U 3.71e+05 0 e 0 0 0 0 0
35 6.713 2.871 134.137 1 U 4.21e+05 0 e 0 0 0 0 0
36 6.714 1.818 134.103 1 U 4.06e+05 0 e 0 0 0 0 0
37 6.714 1.236 134.115 1 U 1.72e+05 0 e 0 0 0 0 0
38 6.711 0.870 134.088 1 U 2.05e+05 0 e 0 0 0 0 0
39 6.719 7.009 134.149 1 U 3.23e+05 0 e 0 0 0 0 0
40 6.762 1.215 117.856 1 U 1.3e+05 0 e 0 0 0 0 0
41 6.774 9.043 133.134 1 U 2.08e+05 0 e 0 0 0 0 0
42 6.768 5.469 133.086 1 U 2.04e+05 0 e 0 0 0 0 0
43 6.773 6.050 133.196 1 U 2.42e+05 0 e 0 0 0 0 0
44 6.771 7.987 133.109 1 U 1.35e+05 0 e 0 0 0 0 0
45 6.771 6.038 133.109 1 U 2.32e+05 0 e 0 0 0 0 0
46 6.774 6.624 133.109 1 U 1.01e+06 0 e 0 0 0 0 0
47 6.768 3.272 133.109 1 U 3.36e+05 0 e 0 0 0 0 0
48 6.776 2.769 133.155 1 U 3.18e+05 0 e 0 0 0 0 0
49 6.771 2.286 133.134 1 U 3.1e+05 0 e 0 0 0 0 0
50 6.770 2.071 133.132 1 U 2.2e+05 0 e 0 0 0 0 0
51 6.772 1.618 133.109 1 U 1.16e+05 0 e 0 0 0 0 0
52 6.600 4.371 117.807 1 U 2.28e+05 0 e 0 0 0 0 0
53 6.603 4.187 117.814 1 U 1.49e+05 0 e 0 0 0 0 0
54 6.600 3.726 117.777 1 U 1.69e+05 0 e 0 0 0 0 0
55 6.607 2.779 117.772 1 U 7.87e+04 0 e 0 0 0 0 0
56 6.606 2.275 117.808 1 U 1.08e+05 0 e 0 0 0 0 0
57 6.602 2.056 117.819 1 U 1.97e+05 0 e 0 0 0 0 0
58 6.603 1.664 117.819 1 U 6.81e+04 0 e 0 0 0 0 0
59 6.605 6.779 117.850 1 U 2.07e+06 0 e 0 0 0 0 0
60 6.605 7.982 117.808 1 U 1.28e+05 0 e 0 0 0 0 0
61 7.035 8.368 132.996 1 U 1.71e+05 0 e 0 0 0 0 0
62 7.031 3.368 132.998 1 U 5.55e+05 0 e 0 0 0 0 0
63 7.032 4.118 133.000 1 U 1.69e+05 0 e 0 0 0 0 0
64 7.024 4.286 133.150 1 U 2.26e+05 0 e 0 0 0 0 0
65 7.031 8.180 133.000 1 U 1.08e+05 0 e 0 0 0 0 0
66 7.038 2.027 133.000 1 U 1.85e+05 0 e 0 0 0 0 0
67 7.035 3.101 133.000 1 U 2.43e+05 0 e 0 0 0 0 0
68 7.033 0.962 132.867 1 U 3.97e+05 0 e 0 0 0 0 0
69 7.041 0.948 133.000 1 U 3.55e+05 0 e 0 0 0 0 0
70 6.484 7.950 133.979 1 U 2.8e+05 0 e 0 0 0 0 0
71 6.477 5.925 134.059 1 U 1.29e+05 0 e 0 0 0 0 0
72 6.482 8.035 134.015 1 U 2.04e+05 0 e 0 0 0 0 0
73 6.477 8.601 134.019 1 U 1.09e+05 0 e 0 0 0 0 0
74 6.480 7.720 134.019 1 U 1.04e+05 0 e 0 0 0 0 0
75 6.483 6.770 133.985 1 U 2.36e+06 0 e 0 0 0 0 0
76 6.482 2.661 133.982 1 U 6.89e+05 0 e 0 0 0 0 0
77 6.477 1.418 134.024 1 U 1.34e+05 0 e 0 0 0 0 0
78 6.481 1.601 134.019 1 U 1.1e+05 0 e 0 0 0 0 0
79 6.484 0.902 133.967 1 U 3.6e+05 0 e 0 0 0 0 0
80 6.486 0.988 134.019 1 U 1.67e+05 0 e 0 0 0 0 0
81 6.481 0.415 133.982 1 U 2.43e+05 0 e 0 0 0 0 0
82 6.758 6.498 118.037 1 U 2.91e+06 0 e 0 0 0 0 0
83 6.759 8.622 118.072 1 U 1.36e+05 0 e 0 0 0 0 0
84 6.761 7.943 118.061 1 U 1.13e+05 0 e 0 0 0 0 0
85 6.761 4.107 118.019 1 U 1.12e+05 0 e 0 0 0 0 0
86 6.757 3.073 118.019 1 U 3.5e+05 0 e 0 0 0 0 0
87 6.758 2.811 118.019 1 U 1.47e+05 0 e 0 0 0 0 0
88 6.760 2.669 118.019 1 U 1.48e+05 0 e 0 0 0 0 0
89 6.756 1.608 117.991 1 U 2.86e+05 0 e 0 0 0 0 0
90 6.760 1.412 118.026 1 U 3.4e+05 0 e 0 0 0 0 0
91 6.755 1.817 118.019 1 U 1.32e+05 0 e 0 0 0 0 0
92 6.753 1.158 118.066 1 U 1.3e+05 0 e 0 0 0 0 0
93 6.757 0.826 118.008 1 U 6.16e+05 0 e 0 0 0 0 0
94 6.759 0.400 118.002 1 U 1.9e+05 0 e 0 0 0 0 0
95 6.733 7.043 118.370 1 U 2.31e+06 0 e 0 0 0 0 0
96 6.733 3.027 118.375 1 U 1.93e+05 0 e 0 0 0 0 0
97 6.733 1.732 118.375 1 U 1.17e+05 0 e 0 0 0 0 0
98 6.731 1.391 118.375 1 U 1.19e+05 0 e 0 0 0 0 0
99 7.025 8.649 133.109 1 U 1.01e+05 0 e 0 0 0 0 0
100 7.028 3.249 133.109 1 U 3.57e+05 0 e 0 0 0 0 0
101 7.027 3.374 133.109 1 U 5.39e+05 0 e 0 0 0 0 0
102 7.029 6.743 133.155 1 U 1.93e+06 0 e 0 0 0 0 0
;
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 C-aromatic . 'not observed' 30 ppm . . . 120 . . 31212 3
2 . . H 1 H . 'not observed' 11.6 ppm . . . 4.78 . . 31212 3
3 . . H 1 H . 'not observed' 11.6 ppm . . . 4.78 . . 31212 3
stop_
save_