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 34243
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 17
_Spectral_peak_list.Experiment_name '3D 1H-13C HMQC-NOESY 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
#FORMAT xeasy3D
#INAME 1 HC
#INAME 2 H
#INAME 3 C
#SPECTRUM C13NOESY HC H C
#TOLERANCE 0.020 0.020 0.3
1 0.251 6.920 151.816 1 T 4.036e+08 0.00e+00 a 0 0 0 0 0
6 3.566 6.977 121.819 1 T 1.041e+08 0.00e+00 a 0 0 0 0 0
7 7.353 7.338 124.597 1 T 8.575e+07 0.00e+00 a 0 0 0 0 0
8 7.112 7.335 124.549 1 T 1.562e+09 0.00e+00 a 0 0 0 0 0
9 7.121 7.116 119.951 1 T 3.464e+09 0.00e+00 a 0 0 0 0 0
10 7.343 7.108 114.476 1 T 1.424e+09 0.00e+00 a 0 0 0 0 0
12 7.189 1.122 114.841 1 T 6.967e+08 0.00e+00 a 0 0 0 0 0
13 7.347 6.980 114.520 1 T 1.916e+08 0.00e+00 a 0 0 0 0 0
20 7.328 0.803 114.301 1 T 8.087e+07 0.00e+00 a 0 298 0 294 0
22 7.191 6.552 114.831 1 T 5.192e+08 0.00e+00 a 0 0 0 0 0
23 7.193 0.975 114.824 1 T 1.435e+08 0.00e+00 a 0 0 0 0 0
24 7.188 0.918 114.797 1 T 1.332e+08 0.00e+00 a 0 0 0 0 0
25 7.191 0.742 114.832 1 T 3.695e+08 0.00e+00 a 0 0 0 0 0
26 7.191 0.607 114.866 1 T 1.719e+08 0.00e+00 a 0 0 0 0 0
27 7.191 0.338 114.855 1 T 4.143e+08 0.00e+00 a 0 0 0 0 0
29 7.189 0.418 114.763 1 T 1.280e+08 0.00e+00 a 0 0 0 0 0
30 7.121 6.978 119.955 1 T 8.808e+08 0.00e+00 a 0 0 0 0 0
31 7.124 3.560 119.967 1 T 1.282e+08 0.00e+00 a 0 0 0 0 0
32 7.120 2.804 119.959 1 T 3.767e+08 0.00e+00 a 0 0 0 0 0
33 7.121 1.350 119.943 1 T 6.505e+08 0.00e+00 a 0 0 0 0 0
36 7.120 5.126 119.922 1 T 2.792e+08 0.00e+00 a 0 0 0 0 0
37 6.980 7.336 121.959 1 T 2.512e+08 0.00e+00 a 0 0 0 0 0
41 6.983 7.112 122.012 1 T 1.832e+09 0.00e+00 a 0 0 0 0 0
42 6.982 6.978 122.055 1 T 4.363e+09 0.00e+00 a 0 0 0 0 0
46 6.978 1.349 122.055 1 T 1.635e+08 0.00e+00 a 0 0 0 0 0
49 6.554 7.184 122.215 1 T 2.208e+08 0.00e+00 a 0 0 0 0 0
50 6.555 6.697 122.187 1 T 2.301e+08 0.00e+00 a 0 0 0 0 0
51 6.553 6.554 122.227 1 T 5.112e+08 0.00e+00 a 0 0 0 0 0
52 6.559 1.123 122.157 1 T 1.356e+08 0.00e+00 a 0 0 0 0 0
56 6.778 6.774 117.829 1 T 1.220e+09 0.00e+00 a 0 0 0 0 0
58 7.112 6.978 124.547 1 T 9.935e+08 0.00e+00 a 0 0 0 0 0
59 7.023 7.018 126.725 1 T 6.911e+09 0.00e+00 a 0 0 0 0 0
60 7.023 2.804 126.748 1 T 3.879e+08 0.00e+00 a 0 0 0 0 0
61 7.017 4.478 126.724 1 T 1.796e+08 0.00e+00 a 0 0 0 0 0
62 7.084 7.081 128.008 1 T 4.459e+09 0.00e+00 a 0 0 0 0 0
63 7.087 3.193 128.028 1 T 2.342e+08 0.00e+00 a 0 0 0 0 0
64 6.922 7.169 132.434 1 T 5.166e+09 0.00e+00 a 0 0 0 0 0
65 6.923 6.920 132.423 1 T 1.593e+10 0.00e+00 a 0 0 0 0 0
66 6.924 4.914 132.451 1 T 2.164e+08 0.00e+00 a 0 0 0 0 0
67 6.922 3.261 132.445 1 T 4.905e+08 0.00e+00 a 0 0 0 0 0
68 6.924 3.009 132.411 1 T 5.842e+08 0.00e+00 a 0 0 0 0 0
69 6.924 2.211 132.428 1 T 2.011e+08 0.00e+00 a 0 0 0 0 0
70 6.922 2.110 132.448 1 T 3.807e+08 0.00e+00 a 0 0 0 0 0
71 6.925 0.889 132.468 1 T 2.054e+08 0.00e+00 a 0 0 0 0 0
72 6.923 0.244 132.437 1 T 2.091e+08 0.00e+00 a 0 0 0 0 0
73 6.956 7.278 131.678 1 T 2.389e+09 0.00e+00 a 0 0 0 0 0
74 6.954 6.951 131.699 1 T 1.149e+10 0.00e+00 a 0 0 0 0 0
75 6.955 4.517 131.576 1 T 2.690e+08 0.00e+00 a 0 0 0 0 0
76 7.170 7.167 130.773 1 T 1.009e+10 0.00e+00 a 0 0 0 0 0
77 7.172 6.921 130.782 1 T 2.977e+09 0.00e+00 a 0 0 0 0 0
78 7.172 2.089 130.786 1 T 3.962e+08 0.00e+00 a 0 0 0 0 0
80 7.168 0.888 130.725 1 T 3.525e+08 0.00e+00 a 0 0 0 0 0
81 7.170 0.244 130.771 1 T 2.020e+08 0.00e+00 a 0 0 0 0 0
82 7.131 4.741 130.364 1 T 7.635e+07 0.00e+00 a 0 0 0 0 0
83 7.165 0.888 129.902 1 T 3.096e+08 0.00e+00 a 0 0 0 0 0
85 7.279 7.277 131.290 1 T 8.857e+09 0.00e+00 a 0 0 0 0 0
86 7.276 6.951 131.210 1 T 1.642e+09 0.00e+00 a 0 0 0 0 0
87 7.272 7.272 130.071 1 T 8.075e+09 0.00e+00 a 0 0 0 0 0
88 7.341 7.336 114.471 1 T 6.065e+09 0.00e+00 a 0 0 0 0 0
89 7.189 7.184 114.831 1 T 3.067e+09 0.00e+00 a 0 0 0 0 0
90 7.112 7.108 124.547 1 T 4.406e+09 0.00e+00 a 0 0 0 0 0
91 7.058 7.053 133.300 1 T 1.083e+09 0.00e+00 a 0 0 0 0 0
92 6.982 1.453 122.097 1 T 1.077e+08 0.00e+00 a 0 0 0 0 0
93 6.983 1.527 121.998 1 T 8.518e+07 0.00e+00 a 0 0 0 0 0
94 7.123 1.451 124.643 1 T 6.582e+07 0.00e+00 a 0 0 0 0 0
95 7.113 1.524 124.416 1 T 7.302e+07 0.00e+00 a 0 0 0 0 0
96 6.987 1.004 121.960 1 T 1.319e+08 0.00e+00 a 0 0 0 0 0
97 7.111 0.993 124.500 1 T 1.090e+08 0.00e+00 a 0 0 0 0 0
98 7.167 2.208 130.832 1 T 1.568e+08 0.00e+00 a 0 0 0 0 0
99 6.923 5.271 132.440 1 T 1.219e+08 0.00e+00 a 0 0 0 0 0
100 7.087 4.982 128.019 1 T 1.169e+08 0.00e+00 a 0 0 0 0 0
101 7.090 3.502 128.021 1 T 1.327e+08 0.00e+00 a 0 0 0 0 0
102 7.149 7.141 133.333 1 T 2.266e+08 0.00e+00 a 0 0 0 0 0
103 6.957 2.774 131.653 1 T 1.647e+08 0.00e+00 a 0 0 0 0 0
104 6.950 1.983 131.622 1 T 1.513e+08 0.00e+00 a 0 0 0 0 0
105 6.963 4.814 131.612 1 T 9.823e+07 0.00e+00 a 0 0 0 0 0
106 7.196 6.695 114.782 1 T 1.174e+08 0.00e+00 a 0 0 0 0 0
107 6.690 6.557 121.941 1 T 1.784e+08 0.00e+00 a 0 0 0 0 0
108 6.700 6.695 121.931 1 T 2.955e+08 0.00e+00 a 0 0 0 0 0
109 6.718 6.975 122.042 1 T 2.303e+08 0.00e+00 a 0 0 0 0 0
110 6.556 0.744 122.137 1 T 7.854e+07 0.00e+00 a 0 0 0 0 0
111 6.558 6.978 122.152 1 T 9.350e+07 0.00e+00 a 0 0 0 0 0
112 7.019 3.575 126.730 1 T 9.543e+07 0.00e+00 a 0 0 0 0 0
113 7.024 5.131 126.762 1 T 8.665e+07 0.00e+00 a 0 0 0 0 0
114 7.028 1.349 126.675 1 T 8.348e+07 0.00e+00 a 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 . . H 1 H . . 18.03 ppm . . . 4.773 . . 34243 3
2 . . C 13 C-aromatic . . 30 ppm . . . 125 . . 34243 3
3 . . H 1 H . . 10.16 ppm . . . 4.773 . . 34243 3
stop_
save_