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 30441
_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 4.462 8.658 1 T 1.923e+06 0.00e+00 a 0 20 18 0
2 4.366 3.391 1 T 7.140e+05 0.00e+00 a 0 4 13 0
3 4.367 3.360 1 T 5.528e+05 0.00e+00 a 0 4 14 0
4 4.295 8.310 1 T 9.946e+05 0.00e+00 a 0 39 37 0
5 4.262 8.183 1 T 2.001e+06 0.00e+00 a 0 49 47 0
6 4.734 8.162 1 T 8.817e+05 0.00e+00 a 0 76 74 0
7 4.382 8.100 1 T 1.394e+06 0.00e+00 a 0 91 89 0
8 4.309 3.735 1 T 3.767e+05 0.00e+00 a 0 117 126 0
9 4.310 3.654 1 T 2.742e+05 0.00e+00 a 0 117 127 0
10 4.041 7.852 1 T 8.324e+05 0.00e+00 a 0 133 131 0
11 3.891 7.619 1 T 1.553e+06 0.00e+00 a 0 159 157 0
12 4.067 7.833 1 T 6.481e+05 0.00e+00 a 0 180 178 0
13 3.893 7.861 1 T 6.851e+05 0.00e+00 a 0 202 200 0
14 4.068 7.506 1 T 1.214e+06 0.00e+00 a 0 228 226 0
15 4.593 8.043 1 T 7.037e+05 0.00e+00 a 0 355 353 0
16 4.267 7.652 1 T 2.295e+06 0.00e+00 a 0 378 376 0
17 3.861 7.715 1 T 1.568e+06 0.00e+00 a 0 334 332 0
18 3.735 7.841 1 T 8.804e+05 0.00e+00 a 0 255 253 0
19 4.075 8.383 1 T 4.791e+05 0.00e+00 a 0 276 274 0
20 4.143 7.721 1 T 4.523e+05 0.00e+00 a 0 298 296 0
21 4.143 7.607 1 T 1.514e+06 0.00e+00 a 0 308 306 0
22 4.312 2.303 1 T 3.667e+05 0.00e+00 a 0 117 119 0
23 4.311 2.066 1 T 3.243e+05 0.00e+00 a 0 117 123 0
24 4.311 1.969 1 T 2.693e+05 0.00e+00 a 0 117 124 0
25 4.312 1.856 1 T 2.426e+05 0.00e+00 a 0 117 120 0
26 4.366 2.448 1 T 5.000e+05 0.00e+00 a 0 4 6 0
27 4.366 2.047 1 T 3.713e+05 0.00e+00 a 0 4 10 0
28 4.366 2.017 1 T 5.069e+05 0.00e+00 a 0 4 11 0
29 4.364 1.992 1 T 3.640e+05 0.00e+00 a 0 4 7 0
31 4.721 8.658 1 T 2.194e+05 0.00e+00 a 0 0 0 0
32 4.263 7.169 1 T 2.362e+05 0.00e+00 a 0 49 63 0
33 4.067 7.187 1 T 2.167e+05 0.00e+00 a 0 228 242 0
34 6.760 7.430 1 T 2.026e+06 0.00e+00 a 0 0 0 0
35 2.574 8.657 1 T 1.120e+06 0.00e+00 a 0 26 18 0
36 2.547 8.659 1 T 1.317e+06 0.00e+00 a 0 27 18 0
37 2.049 8.659 1 T 5.742e+05 0.00e+00 a 0 22 18 0
38 2.017 8.659 1 T 8.657e+05 0.00e+00 a 0 30 18 0
39 1.989 8.658 1 T 7.338e+05 0.00e+00 a 0 23 18 0
40 1.378 8.313 1 T 3.599e+06 0.00e+00 a 0 40 37 0
41 3.393 2.449 1 T 4.897e+05 0.00e+00 a 0 13 6 0
42 3.363 2.449 1 T 3.991e+05 0.00e+00 a 0 14 6 0
43 3.392 2.047 1 T 5.036e+05 0.00e+00 a 0 13 10 0
44 3.393 2.018 1 T 1.582e+06 0.00e+00 a 0 13 11 0
45 3.393 1.992 1 T 5.984e+05 0.00e+00 a 0 13 7 0
46 3.363 2.047 1 T 5.334e+05 0.00e+00 a 0 14 10 0
47 3.363 2.018 1 T 1.455e+06 0.00e+00 a 0 14 11 0
48 3.363 1.992 1 T 5.566e+05 0.00e+00 a 0 14 7 0
49 2.451 3.396 1 T 5.181e+05 0.00e+00 a 0 6 13 0
50 2.451 3.357 1 T 3.430e+05 0.00e+00 a 0 6 14 0
51 2.046 3.395 1 T 7.122e+05 0.00e+00 a 0 10 13 0
52 2.017 3.394 1 T 1.087e+06 0.00e+00 a 0 11 13 0
53 1.994 3.395 1 T 9.725e+05 0.00e+00 a 0 7 13 0
54 2.045 3.357 1 T 7.050e+05 0.00e+00 a 0 10 14 0
55 2.018 3.356 1 T 8.933e+05 0.00e+00 a 0 11 14 0
56 1.993 3.358 1 T 5.082e+05 0.00e+00 a 0 7 14 0
57 3.188 8.183 1 T 2.582e+05 0.00e+00 a 0 59 47 0
58 3.148 8.183 1 T 2.553e+05 0.00e+00 a 0 60 47 0
59 1.828 8.183 1 T 4.979e+05 0.00e+00 a 0 51 47 0
60 1.745 8.182 1 T 7.001e+05 0.00e+00 a 0 52 47 0
61 1.647 8.182 1 T 6.249e+05 0.00e+00 a 0 55 47 0
62 1.614 8.182 1 T 6.252e+05 0.00e+00 a 0 56 47 0
63 2.789 8.164 1 T 1.473e+06 0.00e+00 a 0 78 74 0
64 2.738 8.164 1 T 1.628e+06 0.00e+00 a 0 79 74 0
65 1.833 8.100 1 T 5.302e+05 0.00e+00 a 0 93 89 0
66 1.789 8.100 1 T 5.630e+05 0.00e+00 a 0 94 89 0
67 1.698 8.100 1 T 1.667e+05 0.00e+00 a 0 101 89 0
68 1.672 8.099 1 T 1.625e+05 0.00e+00 a 0 102 89 0
69 1.514 8.100 1 T 2.090e+05 0.00e+00 a 0 97 89 0
70 1.377 8.100 1 T 2.175e+05 0.00e+00 a 0 98 89 0
71 3.735 2.302 1 T 1.827e+05 0.00e+00 a 0 126 119 0
72 3.654 2.303 1 T 2.251e+05 0.00e+00 a 0 127 119 0
73 3.735 2.064 1 T 2.517e+05 0.00e+00 a 0 126 123 0
74 3.654 2.066 1 T 2.577e+05 0.00e+00 a 0 127 123 0
75 3.735 1.969 1 T 5.687e+05 0.00e+00 a 0 126 124 0
76 3.654 1.968 1 T 1.736e+05 0.00e+00 a 0 127 124 0
77 3.736 1.856 1 T 2.144e+05 0.00e+00 a 0 126 120 0
78 3.655 1.856 1 T 1.937e+05 0.00e+00 a 0 127 120 0
79 2.305 3.734 1 T 2.244e+05 0.00e+00 a 0 119 126 0
80 2.304 3.655 1 T 2.320e+05 0.00e+00 a 0 119 127 0
81 2.067 3.652 1 T 3.093e+05 0.00e+00 a 0 123 127 0
82 2.069 3.732 1 T 2.194e+05 0.00e+00 a 0 123 126 0
83 1.973 3.653 1 T 1.840e+05 0.00e+00 a 0 124 127 0
84 1.969 3.734 1 T 8.773e+05 0.00e+00 a 0 124 126 0
85 1.860 3.653 1 T 1.763e+05 0.00e+00 a 0 120 127 0
86 1.856 3.734 1 T 2.358e+05 0.00e+00 a 0 120 126 0
87 1.869 7.852 1 T 4.071e+05 0.00e+00 a 0 135 131 0
88 1.823 7.852 1 T 4.610e+05 0.00e+00 a 0 136 131 0
89 1.698 7.853 1 T 1.432e+05 0.00e+00 a 0 144 131 0
90 1.673 7.853 1 T 1.479e+05 0.00e+00 a 0 143 131 0
91 1.542 7.852 1 T 1.819e+05 0.00e+00 a 0 140 131 0
92 1.406 7.854 1 T 2.105e+05 0.00e+00 a 0 139 131 0
94 1.174 7.619 1 T 6.354e+04 0.00e+00 a 0 168 157 0
95 0.904 7.618 1 T 3.084e+05 0.00e+00 a 0 162 157 0
96 0.828 7.619 1 T 6.838e+04 0.00e+00 a 0 171 157 0
97 1.962 7.619 1 T 6.776e+05 0.00e+00 a 0 161 157 0
100 1.605 7.833 1 T 3.006e+05 0.00e+00 a 0 186 178 0
101 0.885 7.833 1 T 2.048e+05 0.00e+00 a 0 187 178 0
102 0.840 7.833 1 T 1.890e+05 0.00e+00 a 0 188 178 0
103 1.633 7.833 1 T 5.626e+05 0.00e+00 a 0 183 178 0
104 1.645 7.833 1 T 4.809e+05 0.00e+00 a 0 182 178 0
105 2.971 8.099 1 T 2.355e+04 0.00e+00 a 0 105 89 0
106 2.950 8.099 1 T 2.869e+04 0.00e+00 a 0 106 89 0
107 1.871 7.861 1 T 4.217e+05 0.00e+00 a 0 204 200 0
108 1.825 7.861 1 T 3.512e+05 0.00e+00 a 0 205 200 0
109 1.688 7.860 1 T 1.364e+05 0.00e+00 a 0 212 200 0
110 1.672 7.861 1 T 1.263e+05 0.00e+00 a 0 213 200 0
111 1.541 7.861 1 T 1.659e+05 0.00e+00 a 0 208 200 0
112 1.405 7.860 1 T 1.911e+05 0.00e+00 a 0 209 200 0
113 3.152 7.506 1 T 1.104e+05 0.00e+00 a 0 239 226 0
114 3.126 7.506 1 T 1.107e+05 0.00e+00 a 0 238 226 0
115 1.964 7.505 1 T 5.431e+05 0.00e+00 a 0 230 226 0
116 1.768 7.505 1 T 2.072e+05 0.00e+00 a 0 231 226 0
117 1.671 7.505 1 T 3.322e+05 0.00e+00 a 0 235 226 0
118 1.636 7.505 1 T 2.843e+05 0.00e+00 a 0 234 226 0
119 1.964 7.842 1 T 3.421e+05 0.00e+00 a 0 257 253 0
120 1.092 7.841 1 T 5.181e+04 0.00e+00 a 0 264 253 0
121 0.862 7.841 1 T 2.858e+05 0.00e+00 a 0 258 253 0
122 0.791 7.841 1 T 2.049e+04 0.00e+00 a 0 267 253 0
123 1.857 8.383 1 T 2.792e+05 0.00e+00 a 0 278 274 0
124 1.825 8.383 1 T 3.001e+05 0.00e+00 a 0 279 274 0
125 1.487 8.384 1 T 1.307e+05 0.00e+00 a 0 282 274 0
126 1.479 7.722 1 T 1.464e+06 0.00e+00 a 0 299 296 0
127 2.965 7.608 1 T 1.486e+05 0.00e+00 a 0 322 306 0
128 2.935 7.609 1 T 1.503e+05 0.00e+00 a 0 323 306 0
129 1.987 7.607 1 T 6.452e+05 0.00e+00 a 0 310 306 0
130 1.926 7.608 1 T 7.841e+05 0.00e+00 a 0 311 306 0
131 1.681 7.607 1 T 2.585e+05 0.00e+00 a 0 318 306 0
132 1.651 7.607 1 T 2.925e+05 0.00e+00 a 0 319 306 0
133 1.524 7.607 1 T 3.009e+05 0.00e+00 a 0 315 306 0
134 1.441 7.607 1 T 2.495e+05 0.00e+00 a 0 314 306 0
135 1.631 7.715 1 T 3.795e+05 0.00e+00 a 0 336 332 0
136 1.022 7.715 1 T 9.350e+04 0.00e+00 a 0 343 332 0
137 0.685 7.715 1 T 8.699e+04 0.00e+00 a 0 344 332 0
138 0.411 7.716 1 T 4.396e+05 0.00e+00 a 0 337 332 0
139 0.388 7.716 1 T 3.817e+05 0.00e+00 a 0 346 332 0
140 3.210 8.043 1 T 9.413e+05 0.00e+00 a 0 357 353 0
141 2.913 8.043 1 T 1.440e+06 0.00e+00 a 0 358 353 0
142 2.996 7.652 1 T 1.136e+05 0.00e+00 a 0 393 376 0
143 2.969 7.651 1 T 1.265e+05 0.00e+00 a 0 392 376 0
144 1.907 7.653 1 T 1.144e+06 0.00e+00 a 0 381 376 0
145 1.852 7.652 1 T 9.726e+05 0.00e+00 a 0 380 376 0
146 1.687 7.652 1 T 5.272e+05 0.00e+00 a 0 389 376 0
147 1.663 7.652 1 T 4.365e+05 0.00e+00 a 0 388 376 0
148 1.426 7.652 1 T 7.983e+05 0.00e+00 a 0 384 376 0
149 1.384 7.652 1 T 9.498e+05 0.00e+00 a 0 385 376 0
155 3.190 7.168 1 T 1.447e+06 0.00e+00 a 0 59 63 0
156 3.145 7.168 1 T 1.764e+06 0.00e+00 a 0 60 63 0
157 3.151 7.187 1 T 1.751e+06 0.00e+00 a 0 239 242 0
158 3.125 7.186 1 T 1.504e+06 0.00e+00 a 0 238 242 0
159 1.954 7.188 1 T 5.772e+05 0.00e+00 a 0 230 242 0
160 1.768 7.186 1 T 4.763e+05 0.00e+00 a 0 231 242 0
161 1.673 7.187 1 T 3.664e+05 0.00e+00 a 0 235 242 0
162 1.637 7.186 1 T 5.545e+05 0.00e+00 a 0 234 242 0
163 1.832 7.167 1 T 5.398e+05 0.00e+00 a 0 51 63 0
164 1.742 7.168 1 T 5.748e+05 0.00e+00 a 0 52 63 0
165 1.651 7.167 1 T 7.392e+05 0.00e+00 a 0 55 63 0
166 1.612 7.168 1 T 7.303e+05 0.00e+00 a 0 56 63 0
167 2.984 7.863 1 T 2.196e+04 0.00e+00 a 0 216 200 0
168 2.965 7.863 1 T 2.165e+04 0.00e+00 a 0 217 200 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 . . 30441 1
2 . . N 15 HN . . 3267 Hz . . . 4.7 . . 30441 1
3 . . H 1 H . . 7211 Hz . . . 4.7 . . 30441 1
stop_
save_