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 30493
_Spectral_peak_list.ID 1
_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.Experiment_ID 12
_Spectral_peak_list.Experiment_name '3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY'
_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
#INAME 1 13C
#INAME 2 1H
#INAME 3 1H
2 134.896 6.951 7.277 1 U -9.088e+04 0.00e+00 m 0 170 181 182 0
3 120.145 7.272 6.951 1 U -1.049e+05 0.00e+00 m 0 172 182 181 0
4 120.141 6.951 6.951 1 U -3.738e+05 0.00e+00 m 0 172 181 181 0
5 120.089 2.120 6.949 1 U -1.500e+04 0.00e+00 m 0 0 0 0 0
6 120.089 4.218 6.942 1 U -9.725e+03 0.00e+00 m 0 0 0 0 0
7 120.089 4.994 6.942 1 U -8.248e+03 0.00e+00 m 0 0 0 0 0
8 134.908 9.132 7.279 1 U -4.277e+03 0.00e+00 m 0 170 162 182 0
9 135.013 9.191 7.073 1 U -4.949e+03 0.00e+00 m 0 512 504 524 0
10 135.030 7.073 7.075 1 U -7.744e+04 0.00e+00 m 0 512 524 524 0
11 135.027 8.434 7.085 1 U -5.479e+03 0.00e+00 m 0 0 0 0 0
12 135.057 4.224 7.085 1 U -8.623e+03 0.00e+00 m 0 0 0 0 0
13 135.059 3.974 7.086 1 U -9.913e+03 0.00e+00 m 0 0 0 0 0
14 135.028 3.373 7.088 1 U -7.771e+03 0.00e+00 m 0 0 0 0 0
15 134.991 2.516 7.084 1 U -7.158e+03 0.00e+00 m 0 0 0 0 0
16 135.054 2.092 7.087 1 U -6.058e+03 0.00e+00 m 0 0 0 0 0
17 135.058 1.594 7.087 1 U -1.088e+04 0.00e+00 m 0 0 0 0 0
18 135.003 1.270 7.084 1 U -4.249e+03 0.00e+00 m 0 0 0 0 0
19 135.043 1.013 7.087 1 U -1.326e+04 0.00e+00 m 0 0 0 0 0
20 135.042 0.440 7.085 1 U -5.535e+03 0.00e+00 m 0 0 0 0 0
21 134.892 8.778 7.276 1 U -3.573e+03 0.00e+00 m 0 0 0 0 0
22 134.891 8.360 7.279 1 U -2.096e+03 0.00e+00 m 0 0 0 0 0
23 134.897 4.201 7.277 1 U -2.378e+04 0.00e+00 m 0 0 0 0 0
24 134.902 3.364 7.277 1 U -1.968e+04 0.00e+00 m 0 0 0 0 0
25 134.909 3.178 7.277 1 U -2.375e+04 0.00e+00 m 0 0 0 0 0
26 134.883 1.593 7.278 1 U -1.228e+04 0.00e+00 m 0 0 0 0 0
27 134.895 2.077 7.277 1 U -1.043e+04 0.00e+00 m 0 0 0 0 0
28 134.887 1.044 7.279 1 U -4.147e+03 0.00e+00 m 0 0 0 0 0
29 120.141 3.370 6.947 1 U -7.089e+03 0.00e+00 m 0 0 0 0 0
30 120.375 1.000 6.920 1 U -4.075e+04 0.00e+00 m 0 0 0 0 0
31 120.375 1.565 6.918 1 U -1.813e+04 0.00e+00 m 0 0 0 0 0
32 120.375 1.742 6.918 1 U -2.352e+04 0.00e+00 m 0 0 0 0 0
33 120.375 3.377 6.921 1 U -6.725e+03 0.00e+00 m 0 0 0 0 0
34 120.375 3.084 6.921 1 U -1.186e+04 0.00e+00 m 0 0 0 0 0
35 120.375 0.762 6.918 1 U -8.930e+03 0.00e+00 m 0 0 0 0 0
36 120.375 0.448 6.916 1 U -9.532e+03 0.00e+00 m 0 0 0 0 0
37 120.375 2.103 6.915 1 U -2.773e+04 0.00e+00 m 0 0 0 0 0
38 120.371 4.015 6.922 1 U -9.850e+03 0.00e+00 m 0 0 0 0 0
39 120.375 6.918 6.915 1 U -4.988e+05 0.00e+00 m 0 514 523 523 0
40 120.375 7.073 6.916 1 U -3.322e+04 0.00e+00 m 0 514 524 523 0
41 120.375 8.485 6.915 1 U -5.784e+03 0.00e+00 m 0 0 0 0 0
42 120.141 1.007 6.949 1 U -6.524e+03 0.00e+00 m 0 0 0 0 0
43 133.795 8.490 7.419 1 U -4.664e+03 0.00e+00 m 0 402 394 413 0
44 133.746 9.197 7.429 1 U -2.996e+03 0.00e+00 m 0 0 0 0 0
45 133.738 7.419 7.419 1 U -2.363e+05 0.00e+00 m 0 402 413 413 0
46 133.773 4.507 7.428 1 U -8.680e+03 0.00e+00 m 0 0 0 0 0
47 133.765 3.551 7.428 1 U -9.884e+03 0.00e+00 m 0 0 0 0 0
48 133.709 2.480 7.429 1 U -3.573e+03 0.00e+00 m 0 0 0 0 0
49 133.738 1.865 7.429 1 U -5.326e+03 0.00e+00 m 0 0 0 0 0
50 133.738 1.245 7.429 1 U -5.688e+03 0.00e+00 m 0 0 0 0 0
51 133.738 2.090 7.427 1 U -3.851e+03 0.00e+00 m 0 0 0 0 0
52 133.732 3.550 7.501 1 U -4.436e+03 0.00e+00 m 0 0 0 0 0
53 133.738 1.245 7.502 1 U -3.732e+03 0.00e+00 m 0 0 0 0 0
54 133.738 1.865 7.505 1 U -3.257e+03 0.00e+00 m 0 0 0 0 0
55 133.738 2.083 7.500 1 U -1.490e+03 0.00e+00 m 0 0 0 0 0
56 133.738 2.485 7.507 1 U -1.217e+03 0.00e+00 m 0 0 0 0 0
57 133.738 7.426 7.495 1 U -1.451e+05 0.00e+00 m 0 404 414 414 0
58 131.862 7.417 7.414 1 U -2.026e+05 0.00e+00 m 0 406 407 407 0
59 120.184 4.214 6.947 1 U -9.725e+03 0.00e+00 m 0 0 0 0 0
60 120.184 3.166 6.947 1 U -9.487e+03 0.00e+00 m 0 0 0 0 0
61 120.184 2.042 6.952 1 U -1.477e+04 0.00e+00 m 0 0 0 0 0
62 120.184 1.579 6.949 1 U -6.668e+03 0.00e+00 m 0 0 0 0 0
63 135.047 3.077 7.086 1 U -7.953e+03 0.00e+00 m 0 0 0 0 0
64 131.802 2.082 7.427 1 U -3.478e+03 0.00e+00 m 0 0 0 0 0
65 131.862 2.075 7.426 1 U -3.265e+03 0.00e+00 m 0 0 0 0 0
66 134.908 8.788 7.279 1 U -3.573e+03 0.00e+00 m 0 170 0 182 0
67 134.908 7.275 7.279 1 U -3.887e+05 0.00e+00 m 0 170 0 182 0
68 134.896 4.517 7.277 1 U -2.815e+03 0.00e+00 m 0 170 0 182 0
69 134.896 4.210 7.277 1 U -1.659e+04 0.00e+00 m 0 170 0 182 0
70 134.896 3.371 7.277 1 U -1.968e+04 0.00e+00 m 0 170 0 182 0
71 134.896 3.171 7.277 1 U -2.375e+04 0.00e+00 m 0 170 0 182 0
72 134.896 1.573 7.277 1 U -1.228e+04 0.00e+00 m 0 170 0 182 0
73 134.896 2.039 7.277 1 U -1.187e+04 0.00e+00 m 0 170 0 182 0
74 134.896 0.974 7.277 1 U -5.463e+03 0.00e+00 m 0 170 0 182 0
75 120.145 4.224 6.951 1 U -4.448e+03 0.00e+00 m 0 172 0 181 0
76 120.145 3.373 6.951 1 U -2.711e+03 0.00e+00 m 0 172 0 181 0
77 120.145 3.171 6.951 1 U -6.058e+03 0.00e+00 m 0 172 0 181 0
78 120.145 2.053 6.951 1 U -1.477e+04 0.00e+00 m 0 172 0 181 0
79 120.145 1.587 6.951 1 U -6.668e+03 0.00e+00 m 0 172 0 181 0
80 120.145 0.987 6.951 1 U -6.524e+03 0.00e+00 m 0 172 0 181 0
81 133.795 9.211 7.419 1 U -4.874e+03 0.00e+00 m 0 402 0 413 0
82 133.738 4.493 7.419 1 U -1.420e+04 0.00e+00 m 0 402 0 413 0
83 133.738 4.003 7.419 1 U -4.487e+03 0.00e+00 m 0 402 0 413 0
84 133.738 3.555 7.419 1 U -1.534e+04 0.00e+00 m 0 402 0 413 0
85 133.738 2.414 7.419 1 U -6.347e+03 0.00e+00 m 0 402 0 413 0
86 133.738 2.094 7.419 1 U -6.218e+03 0.00e+00 m 0 402 0 413 0
87 133.738 1.859 7.419 1 U -8.544e+03 0.00e+00 m 0 402 0 413 0
88 133.738 1.742 7.419 1 U -8.101e+03 0.00e+00 m 0 402 0 413 0
89 133.738 4.483 7.495 1 U -3.361e+03 0.00e+00 m 0 404 0 414 0
90 133.738 3.534 7.495 1 U -5.889e+03 0.00e+00 m 0 404 0 414 0
91 133.738 1.753 7.495 1 U -2.791e+03 0.00e+00 m 0 404 0 414 0
92 131.862 2.094 7.417 1 U -4.823e+03 0.00e+00 m 0 406 0 407 0
93 131.862 1.870 7.417 1 U -4.175e+03 0.00e+00 m 0 406 0 407 0
94 133.738 1.199 7.419 1 U -1.032e+04 0.00e+00 m 0 402 0 413 0
95 133.738 1.199 7.495 1 U -4.186e+03 0.00e+00 m 0 404 0 414 0
96 131.862 1.199 7.417 1 U -2.972e+03 0.00e+00 m 0 406 0 407 0
97 135.030 6.920 7.075 1 U -6.072e+04 0.00e+00 m 0 512 0 524 0
98 135.030 4.181 7.075 1 U -1.395e+04 0.00e+00 m 0 512 0 524 0
99 135.030 3.933 7.075 1 U -1.468e+04 0.00e+00 m 0 512 0 524 0
100 135.030 3.319 7.075 1 U -1.170e+04 0.00e+00 m 0 512 0 524 0
101 135.030 3.023 7.075 1 U -1.149e+04 0.00e+00 m 0 512 0 524 0
102 120.375 4.181 6.916 1 U -1.346e+04 0.00e+00 m 0 514 0 523 0
103 120.375 3.933 6.916 1 U -1.142e+04 0.00e+00 m 0 514 0 523 0
104 120.375 3.319 6.916 1 U -7.362e+03 0.00e+00 m 0 514 0 523 0
105 120.375 3.023 6.916 1 U -1.232e+04 0.00e+00 m 0 514 0 523 0
107 135.030 0.431 7.075 1 U -7.794e+03 0.00e+00 m 0 512 0 524 0
110 135.030 0.750 7.075 1 U -7.964e+03 0.00e+00 m 0 512 0 524 0
111 135.030 0.979 7.075 6 U -2.561e+04 0.00e+00 m 0 512 0 524 0
114 135.030 1.241 7.075 1 U -6.620e+03 0.00e+00 m 0 512 0 524 0
115 135.030 1.536 7.075 1 U -1.500e+04 0.00e+00 m 0 512 0 524 0
116 135.030 2.046 7.075 1 U -9.759e+03 0.00e+00 m 0 512 0 524 0
117 135.030 2.451 7.075 1 U -7.760e+03 0.00e+00 m 0 512 0 524 0
118 120.375 2.451 6.916 1 U -4.186e+03 0.00e+00 m 0 514 0 523 0
119 120.375 2.051 6.916 1 U -2.986e+04 0.00e+00 m 0 514 0 523 0
120 120.375 1.536 6.916 1 U -1.813e+04 0.00e+00 m 0 514 0 523 0
121 120.375 1.694 6.916 1 U -2.497e+04 0.00e+00 m 0 514 0 523 0
122 120.375 0.984 6.916 6 U -4.075e+04 0.00e+00 m 0 514 0 523 0
123 120.375 0.755 6.916 1 U -8.930e+03 0.00e+00 m 0 514 0 523 0
124 120.375 0.431 6.916 1 U -9.532e+03 0.00e+00 m 0 514 0 523 0
125 135.030 8.383 7.075 1 U -9.759e+03 0.00e+00 m 0 512 0 524 0
126 120.375 8.383 6.915 1 U -7.430e+03 0.00e+00 m 0 514 0 523 0
127 135.030 1.705 7.075 1 U -1.068e+04 0.00e+00 m 0 512 0 524 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 . . 14 ppm . . . 4.81 . . 30493 1
2 . . N 15 N . . 31 ppm . . . 118 . . 30493 1
3 . . H 1 HN . . 14 ppm . . . 4.81 . . 30493 1
stop_
save_