Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 30439
_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.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY'
_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 2
# INAME 1 H
# INAME 2 h
1 4.451 8.807 1 T 3.058e+05 0.00e+00 a 0 20 18 0
2 4.414 3.417 1 T 9.589e+05 0.00e+00 a 0 4 13 0
3 4.415 3.392 1 T 1.145e+06 0.00e+00 a 0 4 14 0
4 4.152 8.451 1 T 1.878e+06 0.00e+00 a 0 39 37 0
5 4.229 7.782 1 T 1.497e+06 0.00e+00 a 0 65 63 0
6 4.159 7.662 1 T 1.246e+06 0.00e+00 a 0 87 85 0
7 4.577 7.735 1 T 7.274e+05 0.00e+00 a 0 343 341 0
8 4.246 7.703 1 T 2.937e+06 0.00e+00 a 0 366 364 0
9 4.203 7.705 1 T 2.054e+06 0.00e+00 a 0 333 331 0
10 3.950 7.953 1 T 1.827e+06 0.00e+00 a 0 243 241 0
11 4.156 7.886 1 T 1.521e+06 0.00e+00 a 0 264 262 0
12 4.210 7.860 1 T 1.650e+06 0.00e+00 a 0 135 133 0
13 3.900 8.137 1 T 1.062e+06 0.00e+00 a 0 184 182 0
14 3.820 8.136 1 T 1.199e+06 0.00e+00 a 0 185 182 0
15 4.138 7.937 1 T 2.804e+06 0.00e+00 a 0 191 189 0
16 4.247 8.064 1 T 1.296e+06 0.00e+00 a 0 162 160 0
17 4.242 7.935 1 T 1.438e+06 0.00e+00 a 0 291 289 0
18 4.167 7.963 1 T 6.613e+05 0.00e+00 a 0 313 311 0
19 4.179 7.903 1 T 8.599e+05 0.00e+00 a 0 323 321 0
22 4.160 7.930 1 T 2.389e+06 0.00e+00 a 0 217 215 0
23 4.121 7.918 1 T 2.495e+06 0.00e+00 a 0 109 107 0
24 4.202 7.208 1 T 2.020e+05 0.00e+00 a 0 135 149 0
25 4.159 7.163 1 T 2.645e+05 0.00e+00 a 0 264 278 0
26 2.581 8.806 1 T 2.455e+05 0.00e+00 a 0 26 18 0
28 2.071 8.815 1 T 1.573e+05 0.00e+00 a 0 22 18 0
29 2.074 8.802 1 T 2.320e+05 0.00e+00 a 0 30 18 0
30 2.040 8.806 1 T 8.889e+04 0.00e+00 a 0 23 18 0
31 2.962 8.451 1 T 6.604e+04 0.00e+00 a 0 53 37 0
33 1.680 8.451 1 T 2.619e+05 0.00e+00 a 0 49 37 0
34 1.477 8.451 1 T 2.768e+05 0.00e+00 a 0 45 37 0
35 1.386 8.452 1 T 2.728e+05 0.00e+00 a 0 46 37 0
36 4.413 2.474 1 T 5.672e+05 0.00e+00 a 0 4 6 0
37 4.416 2.098 1 T 4.364e+05 0.00e+00 a 0 4 10 0
38 4.416 2.058 1 T 9.919e+05 0.00e+00 a 0 4 11 0
39 4.415 2.011 1 T 1.526e+05 0.00e+00 a 0 4 7 0
41 0.908 7.782 1 T 2.738e+05 0.00e+00 a 0 72 63 0
42 0.864 7.781 1 T 2.483e+05 0.00e+00 a 0 73 63 0
43 1.708 7.660 1 T 7.134e+05 0.00e+00 a 0 89 85 0
44 1.605 7.660 1 T 4.923e+05 0.00e+00 a 0 93 85 0
45 0.920 7.662 1 T 1.587e+05 0.00e+00 a 0 94 85 0
46 0.845 7.662 1 T 1.346e+05 0.00e+00 a 0 95 85 0
48 2.945 7.915 1 T 7.751e+04 0.00e+00 a 0 123 107 0
50 1.672 7.918 1 T 4.830e+05 0.00e+00 a 0 119 107 0
52 3.157 7.859 1 T 2.560e+05 0.00e+00 a 0 145 133 0
53 1.884 7.859 1 T 7.365e+05 0.00e+00 a 0 137 133 0
54 1.707 7.860 1 T 3.176e+05 0.00e+00 a 0 138 133 0
55 1.628 7.859 1 T 3.262e+05 0.00e+00 a 0 142 133 0
56 1.694 8.063 1 T 9.234e+05 0.00e+00 a 0 164 160 0
57 1.604 8.065 1 T 5.177e+05 0.00e+00 a 0 168 160 0
58 0.892 8.063 1 T 1.399e+05 0.00e+00 a 0 169 160 0
59 0.830 8.064 1 T 1.610e+05 0.00e+00 a 0 170 160 0
60 2.948 7.937 1 T 1.010e+05 0.00e+00 a 0 205 189 0
64 1.596 7.936 1 T 5.705e+05 0.00e+00 a 0 297 289 0
67 1.685 7.919 1 T 4.681e+05 0.00e+00 a 0 120 107 0
71 1.832 8.449 1 T 2.134e+05 0.00e+00 a 0 42 37 0
72 1.757 8.450 1 T 5.008e+05 0.00e+00 a 0 41 37 0
73 1.693 8.450 1 T 2.408e+05 0.00e+00 a 0 50 37 0
74 2.943 8.451 1 T 5.470e+04 0.00e+00 a 0 54 37 0
76 1.629 7.780 1 T 1.524e+06 0.00e+00 a 0 67 63 0
77 1.622 7.781 1 T 1.524e+06 0.00e+00 a 0 68 63 0
78 1.575 7.782 1 T 9.701e+05 0.00e+00 a 0 71 63 0
79 1.695 7.661 1 T 6.938e+05 0.00e+00 a 0 90 85 0
80 3.144 7.860 1 T 2.226e+05 0.00e+00 a 0 146 133 0
81 1.618 7.860 1 T 3.262e+05 0.00e+00 a 0 141 133 0
82 1.717 8.061 1 T 6.728e+05 0.00e+00 a 0 165 160 0
87 1.679 7.936 1 T 1.030e+06 0.00e+00 a 0 293 289 0
89 0.899 7.936 1 T 4.464e+05 0.00e+00 a 0 298 289 0
90 0.849 7.936 1 T 3.687e+05 0.00e+00 a 0 299 289 0
91 1.734 7.935 1 T 9.553e+05 0.00e+00 a 0 294 289 0
92 1.891 7.935 1 T 8.624e+05 0.00e+00 a 0 193 189 0
93 1.831 7.935 1 T 1.047e+06 0.00e+00 a 0 194 189 0
94 1.695 7.936 1 T 1.109e+06 0.00e+00 a 0 201 189 0
95 1.709 7.935 1 T 1.117e+06 0.00e+00 a 0 202 189 0
98 1.867 7.917 1 T 7.676e+05 0.00e+00 a 0 111 107 0
99 1.810 7.917 1 T 8.211e+05 0.00e+00 a 0 112 107 0
100 1.844 7.952 1 T 4.305e+05 0.00e+00 a 0 245 241 0
104 1.150 7.952 1 T 6.645e+04 0.00e+00 a 0 252 241 0
105 1.541 7.951 1 T 6.423e+04 0.00e+00 a 0 253 241 0
108 0.888 7.952 1 T 4.570e+05 0.00e+00 a 0 246 241 0
109 0.826 7.953 1 T 9.036e+04 0.00e+00 a 0 255 241 0
110 3.168 7.885 1 T 1.425e+05 0.00e+00 a 0 274 262 0
111 3.134 7.885 1 T 1.694e+05 0.00e+00 a 0 275 262 0
112 1.837 7.884 1 T 6.998e+05 0.00e+00 a 0 267 262 0
113 1.702 7.884 1 T 2.688e+05 0.00e+00 a 0 266 262 0
115 1.608 7.885 1 T 2.435e+05 0.00e+00 a 0 271 262 0
116 1.579 7.885 1 T 2.043e+05 0.00e+00 a 0 270 262 0
117 1.419 7.965 1 T 2.549e+06 0.00e+00 a 0 314 311 0
118 1.380 7.902 1 T 3.329e+06 0.00e+00 a 0 324 321 0
119 1.268 7.705 1 T 4.111e+06 0.00e+00 a 0 334 331 0
120 3.217 7.735 1 T 1.883e+06 0.00e+00 a 0 345 341 0
121 2.998 7.733 1 T 2.502e+06 0.00e+00 a 0 346 341 0
122 2.956 7.704 1 T 6.787e+04 0.00e+00 a 0 381 364 0
123 2.935 7.702 1 T 6.535e+04 0.00e+00 a 0 380 364 0
124 1.849 7.704 1 T 9.380e+05 0.00e+00 a 0 369 364 0
125 1.757 7.704 1 T 1.144e+06 0.00e+00 a 0 368 364 0
126 1.681 7.704 1 T 6.351e+05 0.00e+00 a 0 377 364 0
127 1.656 7.703 1 T 6.198e+05 0.00e+00 a 0 376 364 0
128 1.427 7.703 1 T 7.718e+05 0.00e+00 a 0 373 364 0
129 1.371 7.703 1 T 6.325e+05 0.00e+00 a 0 372 364 0
131 1.499 7.916 1 T 3.247e+05 0.00e+00 a 0 115 107 0
132 1.419 7.918 1 T 4.299e+05 0.00e+00 a 0 116 107 0
133 2.960 7.917 1 T 8.489e+04 0.00e+00 a 0 124 107 0
134 2.959 7.937 1 T 7.468e+04 0.00e+00 a 0 206 189 0
135 1.499 7.938 1 T 3.645e+05 0.00e+00 a 0 198 189 0
136 1.419 7.937 1 T 2.187e+05 0.00e+00 a 0 197 189 0
137 2.964 7.929 1 T 1.144e+05 0.00e+00 a 0 232 215 0
138 2.935 7.929 1 T 1.204e+05 0.00e+00 a 0 231 215 0
139 1.907 7.930 1 T 8.226e+05 0.00e+00 a 0 220 215 0
140 1.819 7.930 1 T 1.045e+06 0.00e+00 a 0 219 215 0
141 1.709 7.930 1 T 1.021e+06 0.00e+00 a 0 228 215 0
142 1.695 7.929 1 T 1.067e+06 0.00e+00 a 0 227 215 0
143 1.501 7.930 1 T 5.668e+05 0.00e+00 a 0 224 215 0
144 1.419 7.929 1 T 3.535e+05 0.00e+00 a 0 223 215 0
149 7.274 7.398 1 T 8.764e+04 0.00e+00 a 0 0 0 0
151 3.180 7.207 1 T 8.393e+05 0.00e+00 a 0 145 149 0
152 3.136 7.207 1 T 1.277e+06 0.00e+00 a 0 146 149 0
153 3.179 7.159 1 T 1.229e+06 0.00e+00 a 0 274 278 0
154 3.134 7.161 1 T 1.442e+06 0.00e+00 a 0 275 278 0
155 1.893 7.209 1 T 6.103e+05 0.00e+00 a 0 137 149 0
156 1.704 7.207 1 T 4.305e+05 0.00e+00 a 0 138 149 0
157 1.647 7.209 1 T 3.621e+05 0.00e+00 a 0 142 149 0
158 1.610 7.207 1 T 3.434e+05 0.00e+00 a 0 141 149 0
159 1.842 7.162 1 T 8.499e+05 0.00e+00 a 0 267 278 0
160 1.704 7.161 1 T 4.603e+05 0.00e+00 a 0 266 278 0
161 1.618 7.162 1 T 3.413e+05 0.00e+00 a 0 271 278 0
162 1.584 7.163 1 T 4.335e+05 0.00e+00 a 0 270 278 0
164 4.725 8.807 1 T 3.278e+05 0.00e+00 a 0 0 0 0
165 1.240 7.788 1 T 5.545e+04 0.00e+00 a 0 0 0 0
166 1.371 8.029 1 T 4.521e+04 0.00e+00 a 0 0 0 0
170 4.738 7.261 1 T 8.507e+05 0.00e+00 a 0 0 0 0
171 4.735 7.205 1 T 4.286e+05 0.00e+00 a 0 0 0 0
172 3.420 2.474 1 T 5.074e+05 0.00e+00 a 0 13 6 0
173 3.391 2.476 1 T 7.096e+05 0.00e+00 a 0 14 6 0
174 3.419 2.100 1 T 4.999e+05 0.00e+00 a 0 13 10 0
175 3.390 2.099 1 T 4.813e+05 0.00e+00 a 0 14 10 0
176 3.390 2.058 1 T 1.486e+06 0.00e+00 a 0 14 11 0
177 3.421 2.059 1 T 1.397e+06 0.00e+00 a 0 13 11 0
178 3.420 2.010 1 T 4.573e+05 0.00e+00 a 0 13 7 0
179 3.391 2.010 1 T 5.388e+05 0.00e+00 a 0 14 7 0
180 2.472 3.419 1 T 7.151e+05 0.00e+00 a 0 6 13 0
181 2.475 3.389 1 T 8.153e+05 0.00e+00 a 0 6 14 0
182 2.010 3.432 1 T 1.380e+05 0.00e+00 a 0 7 13 0
183 2.010 3.389 1 T 8.513e+05 0.00e+00 a 0 7 14 0
184 2.057 3.390 1 T 1.541e+06 0.00e+00 a 0 11 14 0
185 2.101 3.390 1 T 4.744e+05 0.00e+00 a 0 10 14 0
186 2.056 3.432 1 T 3.138e+05 0.00e+00 a 0 11 13 0
187 2.100 3.430 1 T 2.812e+05 0.00e+00 a 0 10 13 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 CA . . 7211 Hz . . . 4.7 . . 30439 1
2 . . N 15 HN . . 3267 Hz . . . 4.7 . . 30439 1
3 . . H 1 H . . 7211 Hz . . . 4.7 . . 30439 1
stop_
save_