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 30442
_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 4.468 8.715 1 T 8.058e+05 0.00e+00 a 0 20 18 0
2 4.135 8.349 1 T 1.861e+06 0.00e+00 a 0 39 37 0
4 4.677 7.598 1 T 5.246e+05 0.00e+00 a 0 353 351 0
5 4.049 7.500 1 T 2.854e+06 0.00e+00 a 0 335 333 0
6 4.394 3.406 1 T 1.379e+06 0.00e+00 a 0 4 13 0
7 4.395 3.384 1 T 1.352e+06 0.00e+00 a 0 4 14 0
8 4.162 7.585 1 T 1.517e+06 0.00e+00 a 0 91 89 0
9 3.978 7.848 1 T 1.161e+06 0.00e+00 a 0 113 111 0
10 4.118 7.567 1 T 1.405e+06 0.00e+00 a 0 139 137 0
11 4.024 7.964 1 T 5.178e+05 0.00e+00 a 0 161 159 0
12 4.086 8.030 1 T 9.256e+05 0.00e+00 a 0 171 169 0
14 4.088 7.721 1 T 1.371e+06 0.00e+00 a 0 193 191 0
15 4.337 3.665 1 T 4.420e+05 0.00e+00 a 0 319 328 0
16 4.338 3.537 1 T 4.814e+05 0.00e+00 a 0 319 329 0
17 4.524 7.859 1 T 9.734e+05 0.00e+00 a 0 309 307 0
18 4.163 7.657 1 T 2.312e+06 0.00e+00 a 0 288 286 0
19 4.230 7.752 1 T 1.619e+06 0.00e+00 a 0 262 260 0
20 4.171 7.680 1 T 7.267e+05 0.00e+00 a 0 252 250 0
21 4.091 8.054 1 T 7.353e+05 0.00e+00 a 0 242 240 0
23 4.137 8.046 1 T 2.047e+06 0.00e+00 a 0 65 63 0
24 4.155 8.030 1 T 1.211e+06 0.00e+00 a 0 220 218 0
25 4.089 7.158 1 T 2.503e+05 0.00e+00 a 0 193 207 0
26 4.397 2.470 1 T 5.533e+05 0.00e+00 a 0 4 6 0
27 4.396 2.078 1 T 4.309e+05 0.00e+00 a 0 4 10 0
28 4.396 2.040 1 T 4.880e+05 0.00e+00 a 0 4 11 0
29 4.396 1.993 1 T 2.334e+05 0.00e+00 a 0 4 7 0
30 3.383 2.471 1 T 5.955e+05 0.00e+00 a 0 14 6 0
31 3.409 2.471 1 T 6.079e+05 0.00e+00 a 0 13 6 0
32 3.382 2.077 1 T 5.503e+05 0.00e+00 a 0 14 10 0
33 3.410 2.078 1 T 6.056e+05 0.00e+00 a 0 13 10 0
34 3.382 2.042 1 T 1.711e+06 0.00e+00 a 0 14 11 0
35 3.410 2.041 1 T 1.712e+06 0.00e+00 a 0 13 11 0
36 3.383 1.993 1 T 4.576e+05 0.00e+00 a 0 14 7 0
37 3.410 1.994 1 T 4.911e+05 0.00e+00 a 0 13 7 0
38 2.463 3.384 1 T 8.428e+05 0.00e+00 a 0 6 14 0
39 2.077 3.383 1 T 9.020e+05 0.00e+00 a 0 10 14 0
40 2.042 3.384 1 T 1.805e+06 0.00e+00 a 0 11 14 0
41 1.993 3.383 1 T 7.676e+05 0.00e+00 a 0 7 14 0
42 2.464 3.406 1 T 9.376e+05 0.00e+00 a 0 6 13 0
43 2.076 3.405 1 T 9.919e+05 0.00e+00 a 0 10 13 0
44 2.042 3.406 1 T 1.947e+06 0.00e+00 a 0 11 13 0
45 1.993 3.406 1 T 7.992e+05 0.00e+00 a 0 7 13 0
46 2.589 8.715 1 T 4.869e+05 0.00e+00 a 0 26 18 0
47 2.555 8.716 1 T 4.541e+05 0.00e+00 a 0 27 18 0
48 2.111 8.715 1 T 2.499e+05 0.00e+00 a 0 22 18 0
49 2.037 8.714 1 T 2.589e+05 0.00e+00 a 0 23 18 0
51 2.961 8.348 1 T 5.987e+04 0.00e+00 a 0 53 37 0
52 2.938 8.348 1 T 6.640e+04 0.00e+00 a 0 54 37 0
53 1.819 8.349 1 T 4.995e+05 0.00e+00 a 0 41 37 0
54 1.772 8.349 1 T 8.140e+05 0.00e+00 a 0 42 37 0
55 1.693 8.349 1 T 2.115e+05 0.00e+00 a 0 49 37 0
56 1.670 8.349 1 T 2.567e+05 0.00e+00 a 0 50 37 0
57 1.481 8.349 1 T 2.703e+05 0.00e+00 a 0 45 37 0
58 1.395 8.349 1 T 2.753e+05 0.00e+00 a 0 46 37 0
59 1.677 7.586 1 T 6.369e+05 0.00e+00 a 0 93 89 0
60 1.655 7.587 1 T 7.612e+05 0.00e+00 a 0 94 89 0
61 1.592 7.587 1 T 7.371e+05 0.00e+00 a 0 97 89 0
62 0.904 7.587 1 T 2.171e+05 0.00e+00 a 0 98 89 0
63 0.860 7.586 1 T 2.199e+05 0.00e+00 a 0 99 89 0
64 2.946 8.047 1 T 4.351e+04 0.00e+00 a 0 80 63 0
65 2.920 8.048 1 T 4.384e+04 0.00e+00 a 0 79 63 0
66 1.807 8.047 1 T 7.063e+05 0.00e+00 a 0 67 63 0
67 1.758 8.046 1 T 6.287e+05 0.00e+00 a 0 68 63 0
68 1.680 8.046 1 T 2.378e+05 0.00e+00 a 0 75 63 0
69 1.655 8.048 1 T 2.700e+05 0.00e+00 a 0 76 63 0
70 1.471 8.047 1 T 5.333e+05 0.00e+00 a 0 72 63 0
71 1.373 8.047 1 T 4.319e+05 0.00e+00 a 0 71 63 0
74 1.666 7.849 1 T 9.994e+04 0.00e+00 a 0 123 111 0
75 1.645 7.848 1 T 1.234e+05 0.00e+00 a 0 124 111 0
76 1.511 7.850 1 T 1.723e+05 0.00e+00 a 0 120 111 0
77 1.373 7.848 1 T 1.633e+05 0.00e+00 a 0 119 111 0
78 1.842 7.852 1 T 2.919e+05 0.00e+00 a 0 115 111 0
79 1.794 7.851 1 T 3.944e+05 0.00e+00 a 0 116 111 0
80 1.689 7.566 1 T 6.483e+05 0.00e+00 a 0 141 137 0
81 1.666 7.565 1 T 1.031e+06 0.00e+00 a 0 142 137 0
82 1.619 7.565 1 T 8.861e+05 0.00e+00 a 0 145 137 0
83 0.893 7.566 1 T 2.203e+05 0.00e+00 a 0 146 137 0
84 0.847 7.566 1 T 2.404e+05 0.00e+00 a 0 147 137 0
85 1.443 7.964 1 T 1.325e+06 0.00e+00 a 0 162 159 0
86 0.846 8.029 1 T 1.857e+05 0.00e+00 a 0 178 169 0
87 0.810 8.030 1 T 2.360e+05 0.00e+00 a 0 179 169 0
88 1.787 8.029 1 T 1.159e+06 0.00e+00 a 0 173 169 0
89 1.764 8.029 1 T 1.206e+06 0.00e+00 a 0 174 169 0
91 3.154 7.721 1 T 8.419e+04 0.00e+00 a 0 203 191 0
92 3.114 7.721 1 T 8.652e+04 0.00e+00 a 0 204 191 0
93 1.946 7.721 1 T 7.734e+05 0.00e+00 a 0 195 191 0
94 1.741 7.721 1 T 2.209e+05 0.00e+00 a 0 196 191 0
95 1.663 7.721 1 T 1.782e+05 0.00e+00 a 0 199 191 0
96 1.634 7.721 1 T 1.979e+05 0.00e+00 a 0 200 191 0
97 1.809 8.030 1 T 6.729e+05 0.00e+00 a 0 222 218 0
98 1.777 8.030 1 T 1.259e+06 0.00e+00 a 0 223 218 0
99 1.572 8.030 1 T 2.998e+05 0.00e+00 a 0 226 218 0
100 0.837 8.029 1 T 2.413e+05 0.00e+00 a 0 227 218 0
101 0.819 8.029 1 T 2.360e+05 0.00e+00 a 0 228 218 0
102 1.426 8.054 1 T 1.671e+06 0.00e+00 a 0 243 240 0
103 1.436 7.680 1 T 2.240e+06 0.00e+00 a 0 253 250 0
104 2.968 7.754 1 T 6.375e+04 0.00e+00 a 0 276 260 0
105 2.935 7.752 1 T 6.110e+04 0.00e+00 a 0 277 260 0
106 1.921 7.752 1 T 7.372e+05 0.00e+00 a 0 264 260 0
107 1.864 7.752 1 T 6.171e+05 0.00e+00 a 0 265 260 0
108 1.676 7.753 1 T 3.502e+05 0.00e+00 a 0 272 260 0
109 1.645 7.753 1 T 3.478e+05 0.00e+00 a 0 273 260 0
110 1.483 7.753 1 T 3.457e+05 0.00e+00 a 0 268 260 0
111 1.421 7.752 1 T 2.987e+05 0.00e+00 a 0 269 260 0
112 1.855 7.656 1 T 5.302e+05 0.00e+00 a 0 290 286 0
113 1.151 7.655 1 T 1.491e+05 0.00e+00 a 0 297 286 0
115 0.865 7.656 1 T 9.523e+05 0.00e+00 a 0 291 286 0
116 0.804 7.656 1 T 1.919e+05 0.00e+00 a 0 300 286 0
117 1.311 7.860 1 T 3.011e+06 0.00e+00 a 0 310 307 0
118 4.341 2.016 1 T 7.161e+05 0.00e+00 a 0 319 321 0
119 4.342 1.922 1 T 8.926e+05 0.00e+00 a 0 319 325 0
120 4.341 1.907 1 T 6.859e+05 0.00e+00 a 0 319 326 0
121 4.340 1.710 1 T 5.352e+05 0.00e+00 a 0 319 322 0
122 3.541 2.014 1 T 4.090e+05 0.00e+00 a 0 329 321 0
123 3.670 2.015 1 T 3.438e+05 0.00e+00 a 0 328 321 0
124 3.537 1.923 1 T 7.626e+05 0.00e+00 a 0 329 325 0
125 3.538 1.907 1 T 8.973e+05 0.00e+00 a 0 329 326 0
126 3.667 1.923 1 T 8.098e+05 0.00e+00 a 0 328 325 0
127 3.666 1.907 1 T 9.464e+05 0.00e+00 a 0 328 326 0
128 3.536 1.708 1 T 2.694e+05 0.00e+00 a 0 329 322 0
129 3.667 1.709 1 T 2.664e+05 0.00e+00 a 0 328 322 0
130 2.016 3.666 1 T 3.109e+05 0.00e+00 a 0 321 328 0
131 2.017 3.536 1 T 4.240e+05 0.00e+00 a 0 321 329 0
132 1.922 3.537 1 T 8.797e+05 0.00e+00 a 0 325 329 0
133 1.905 3.536 1 T 8.702e+05 0.00e+00 a 0 326 329 0
134 1.924 3.665 1 T 6.904e+05 0.00e+00 a 0 325 328 0
135 1.905 3.664 1 T 7.540e+05 0.00e+00 a 0 326 328 0
136 1.704 3.666 1 T 3.669e+05 0.00e+00 a 0 322 328 0
137 1.703 3.537 1 T 3.629e+05 0.00e+00 a 0 322 329 0
138 1.981 7.500 1 T 5.339e+05 0.00e+00 a 0 337 333 0
139 0.821 7.501 1 T 1.221e+06 0.00e+00 a 0 338 333 0
140 0.800 7.501 1 T 1.705e+06 0.00e+00 a 0 339 333 0
141 3.310 7.600 1 T 2.250e+06 0.00e+00 a 0 355 351 0
142 3.219 7.601 1 T 2.395e+06 0.00e+00 a 0 356 351 0
143 7.149 7.149 1 T 1.711e+07 0.00e+00 a 0 364 369 0
144 7.076 7.593 1 T 5.944e+05 0.00e+00 a 0 371 351 0
146 7.404 7.596 1 T 2.775e+06 0.00e+00 a 0 372 351 0
147 7.602 7.600 1 T 3.804e+06 0.00e+00 a 0 365 351 0
148 7.151 7.599 1 T 8.021e+05 0.00e+00 a 0 369 351 0
149 2.066 8.715 1 T 3.881e+05 0.00e+00 a 0 30 18 0
150 1.567 8.030 1 T 3.927e+05 0.00e+00 a 0 177 169 0
151 4.713 8.718 1 T 3.521e+05 0.00e+00 a 0 0 0 0
152 3.156 7.157 1 T 1.031e+06 0.00e+00 a 0 203 207 0
153 3.114 7.156 1 T 9.643e+05 0.00e+00 a 0 204 207 0
154 1.946 7.158 1 T 8.146e+05 0.00e+00 a 0 195 207 0
155 1.740 7.159 1 T 4.579e+05 0.00e+00 a 0 196 207 0
156 1.666 7.157 1 T 3.136e+05 0.00e+00 a 0 199 207 0
157 1.629 7.158 1 T 3.207e+05 0.00e+00 a 0 200 207 0
159 1.260 7.639 1 T 2.798e+05 0.00e+00 a 0 0 0 0
160 1.600 7.789 1 T 4.041e+04 0.00e+00 a 0 0 0 0
161 1.843 7.788 1 T 9.793e+04 0.00e+00 a 0 0 0 0
162 2.004 7.850 1 T 7.684e+04 0.00e+00 a 0 0 0 0
163 4.173 7.789 1 T 1.529e+05 0.00e+00 a 0 0 0 0
164 4.209 7.614 1 T 2.970e+05 0.00e+00 a 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 CA . . 7211 Hz . . . 4.7 . . 30442 1
2 . . N 15 HN . . 3267 Hz . . . 4.7 . . 30442 1
3 . . H 1 H . . 7211 Hz . . . 4.7 . . 30442 1
stop_
save_