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 34528
_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 2
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_2
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 11
_Spectral_peak_list.Experiment_name '3D 1H-13C 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
1 7.880 3.170 138.071 1 T 8.320e+05 0.00e+00 a 0 - - -
2 7.883 3.139 138.120 1 T 8.460e+05 0.00e+00 a 0 - - -
3 7.884 1.862 138.117 1 T 9.080e+05 0.00e+00 a 0 - - -
4 7.883 1.514 138.192 1 T 6.440e+05 0.00e+00 a 0 - - -
5 7.878 0.288 138.280 1 T 7.000e+05 0.00e+00 a 0 - - -
6 7.824 2.910 138.629 1 T 9.500e+05 0.00e+00 a 0 - - -
7 7.822 2.072 138.663 1 T 1.070e+06 0.00e+00 a 0 - - -
8 7.827 2.215 138.591 1 T 8.590e+05 0.00e+00 a 0 - - -
9 7.820 1.682 138.674 1 T 1.030e+06 0.00e+00 a 0 - - -
10 7.823 1.462 138.706 1 T 6.890e+05 0.00e+00 a 0 - - -
11 7.824 0.818 138.638 1 T 1.420e+06 0.00e+00 a 0 - - -
12 7.652 0.271 137.925 1 T 1.240e+06 0.00e+00 a 0 - - -
13 7.642 0.426 137.894 1 T 7.510e+05 0.00e+00 a 0 - - -
14 7.650 1.951 137.857 1 T 2.750e+06 0.00e+00 a 0 - - -
15 7.282 6.943 133.977 1 T 4.730e+06 0.00e+00 a 0 - - -
16 7.286 5.031 133.970 1 T 2.400e+06 0.00e+00 a 0 - - -
17 7.286 3.311 134.027 1 T 1.630e+06 0.00e+00 a 0 - - -
18 7.285 3.667 133.941 1 T 1.100e+06 0.00e+00 a 0 - - -
19 7.280 3.572 134.044 1 T 8.910e+05 0.00e+00 a 0 - - -
20 7.284 2.674 133.898 1 T 1.530e+06 0.00e+00 a 0 - - -
21 7.284 2.224 134.262 1 T 7.030e+05 0.00e+00 a 0 - - -
22 7.284 1.650 133.956 1 T 5.840e+05 0.00e+00 a 0 - - -
23 7.284 1.324 134.148 1 T 8.790e+05 0.00e+00 a 0 - - -
24 7.283 0.809 134.095 1 T 1.260e+06 0.00e+00 a 0 - - -
25 7.283 0.531 134.113 1 T 8.190e+05 0.00e+00 a 0 - - -
26 7.340 0.553 131.900 1 T 7.030e+05 0.00e+00 a 0 - - -
27 7.335 6.972 131.830 1 T 1.380e+06 0.00e+00 a 0 - - -
28 7.350 1.058 131.928 1 T 5.120e+05 0.00e+00 a 0 - - -
29 7.218 4.545 131.188 1 T 7.250e+05 0.00e+00 a 0 - - -
30 7.250 4.539 131.000 1 T 8.980e+05 0.00e+00 a 0 - - -
31 7.234 3.451 131.178 1 T 9.030e+05 0.00e+00 a 0 - - -
32 7.258 3.429 131.231 1 T 7.580e+05 0.00e+00 a 0 - - -
33 7.241 3.298 131.060 1 T 8.770e+05 0.00e+00 a 0 - - -
34 7.205 3.304 131.259 1 T 6.760e+05 0.00e+00 a 0 - - -
35 7.226 2.142 131.163 1 T 7.680e+05 0.00e+00 a 0 - - -
36 7.250 1.573 131.171 1 T 7.190e+05 0.00e+00 a 0 - - -
37 7.228 1.568 131.197 1 T 7.930e+05 0.00e+00 a 0 - - -
38 7.228 1.091 131.137 1 T 2.600e+06 0.00e+00 a 0 - - -
39 7.231 0.892 131.215 1 T 2.200e+06 0.00e+00 a 0 - - -
40 7.227 0.797 131.229 1 T 2.180e+06 0.00e+00 a 0 - - -
41 7.237 0.563 131.317 1 T 1.280e+06 0.00e+00 a 0 - - -
42 7.227 0.385 131.175 1 T 9.260e+05 0.00e+00 a 0 - - -
43 7.175 2.210 131.272 1 T 7.720e+05 0.00e+00 a 0 - - -
44 7.208 4.282 131.164 1 T 5.450e+05 0.00e+00 a 0 - - -
45 7.175 1.006 131.525 1 T 1.090e+06 0.00e+00 a 0 - - -
46 7.181 -0.263 131.550 1 T 6.370e+05 0.00e+00 a 0 - - -
47 7.123 0.793 129.704 1 T 1.060e+06 0.00e+00 a 0 - - -
48 7.132 1.089 129.766 1 T 1.070e+06 0.00e+00 a 0 - - -
49 7.018 3.651 131.433 1 T 5.960e+05 0.00e+00 a 0 - - -
50 6.966 0.554 131.793 1 T 1.170e+06 0.00e+00 a 0 - - -
51 6.968 -0.276 131.719 1 T 9.660e+05 0.00e+00 a 0 - - -
52 6.973 -0.062 131.881 1 T 8.000e+05 0.00e+00 a 0 - - -
53 6.976 4.156 131.997 1 T 6.580e+05 0.00e+00 a 0 - - -
54 6.972 7.338 131.803 1 T 2.150e+06 0.00e+00 a 0 - - -
55 6.970 6.719 131.743 1 T 7.110e+05 0.00e+00 a 0 - - -
56 6.643 7.187 129.556 1 T 9.540e+05 0.00e+00 a 0 - - -
57 6.642 4.798 129.542 1 T 1.510e+06 0.00e+00 a 0 - - -
58 6.651 3.748 129.474 1 T 1.210e+06 0.00e+00 a 0 - - -
59 6.644 3.322 129.489 1 T 7.970e+05 0.00e+00 a 0 - - -
60 6.646 3.458 129.575 1 T 5.470e+05 0.00e+00 a 0 - - -
61 6.651 2.238 129.456 1 T 8.420e+05 0.00e+00 a 0 - - -
62 6.646 2.049 129.555 1 T 6.260e+05 0.00e+00 a 0 - - -
63 6.644 1.280 129.521 1 T 7.060e+05 0.00e+00 a 0 - - -
64 6.650 1.506 129.603 1 T 5.220e+05 0.00e+00 a 0 - - -
65 6.650 0.798 129.552 1 T 1.150e+06 0.00e+00 a 0 - - -
66 6.649 0.537 129.558 1 T 1.040e+06 0.00e+00 a 0 - - -
67 6.638 0.969 129.512 1 T 5.060e+05 0.00e+00 a 0 - - -
68 6.647 -0.028 129.512 1 T 6.420e+05 0.00e+00 a 0 - - -
69 6.640 -0.289 129.690 1 T 4.930e+05 0.00e+00 a 0 - - -
70 6.652 2.708 129.800 1 T 5.460e+05 0.00e+00 a 0 - - -
71 6.718 2.902 131.537 1 T 7.960e+05 0.00e+00 a 0 - - -
72 6.933 1.912 126.561 1 T 7.570e+05 0.00e+00 a 0 - - -
73 6.938 1.982 126.296 1 T 7.550e+05 0.00e+00 a 0 - - -
74 6.942 0.909 126.451 1 T 6.720e+05 0.00e+00 a 0 - - -
75 6.941 3.353 126.609 1 T 1.490e+06 0.00e+00 a 0 - - -
76 6.926 2.283 126.520 1 T 7.060e+05 0.00e+00 a 0 - - -
77 6.929 3.787 126.525 1 T 8.720e+05 0.00e+00 a 0 - - -
78 6.934 3.650 126.457 1 T 6.210e+05 0.00e+00 a 0 - - -
79 6.932 4.322 126.538 1 T 5.580e+05 0.00e+00 a 0 - - -
80 7.007 0.681 125.119 1 T 6.200e+05 0.00e+00 a 0 - - -
81 7.029 1.603 124.367 1 T 6.990e+05 0.00e+00 a 0 - - -
82 7.023 3.226 124.393 1 T 7.580e+05 0.00e+00 a 0 - - -
83 7.022 3.604 124.381 1 T 6.120e+05 0.00e+00 a 0 - - -
84 7.025 3.899 124.312 1 T 5.370e+05 0.00e+00 a 0 - - -
85 7.028 4.560 124.275 1 T 2.470e+06 0.00e+00 a 0 - - -
86 7.011 6.680 124.767 1 T 1.380e+06 0.00e+00 a 0 - - -
87 7.031 4.233 124.372 1 T 5.610e+05 0.00e+00 a 0 - - -
88 6.814 7.263 123.233 1 T 1.160e+06 0.00e+00 a 0 - - -
89 6.822 0.789 123.159 1 T 9.290e+05 0.00e+00 a 0 - - -
90 6.838 0.271 121.667 1 T 9.860e+05 0.00e+00 a 0 - - -
91 6.839 0.435 121.478 1 T 1.010e+06 0.00e+00 a 0 - - -
92 6.844 0.958 121.420 1 T 6.100e+05 0.00e+00 a 0 - - -
93 6.845 1.418 121.442 1 T 5.890e+05 0.00e+00 a 0 - - -
94 6.837 3.176 121.598 1 T 1.260e+06 0.00e+00 a 0 - - -
95 6.833 1.968 121.593 1 T 7.170e+05 0.00e+00 a 0 - - -
96 6.838 1.578 121.552 1 T 8.890e+05 0.00e+00 a 0 - - -
97 6.843 3.926 121.713 1 T 9.760e+05 0.00e+00 a 0 - - -
98 6.844 4.243 121.581 1 T 6.280e+05 0.00e+00 a 0 - - -
99 6.671 0.744 121.913 1 T 6.450e+05 0.00e+00 a 0 - - -
100 6.989 3.898 119.391 1 T 1.030e+06 0.00e+00 a 0 - - -
101 6.990 4.262 119.392 1 T 1.980e+06 0.00e+00 a 0 - - -
102 6.987 3.181 119.330 1 T 2.400e+06 0.00e+00 a 0 - - -
103 6.987 0.272 119.305 1 T 9.230e+05 0.00e+00 a 0 - - -
104 6.991 1.545 119.342 1 T 8.630e+05 0.00e+00 a 0 - - -
105 6.987 1.441 119.182 1 T 7.440e+05 0.00e+00 a 0 - - -
106 6.987 1.821 119.275 1 T 6.940e+05 0.00e+00 a 0 - - -
107 6.987 1.969 119.323 1 T 6.440e+05 0.00e+00 a 0 - - -
108 6.994 8.425 119.242 1 T 6.340e+05 0.00e+00 a 0 - - -
109 6.943 7.282 118.194 1 T 6.660e+06 0.00e+00 a 0 - - -
110 6.945 5.030 118.135 1 T 1.280e+06 0.00e+00 a 0 - - -
111 6.945 3.679 118.152 1 T 2.040e+06 0.00e+00 a 0 - - -
112 6.941 3.484 118.095 1 T 1.210e+06 0.00e+00 a 0 - - -
113 6.945 2.696 118.337 1 T 7.720e+05 0.00e+00 a 0 - - -
114 6.923 3.259 118.441 1 T 2.830e+06 0.00e+00 a 0 - - -
115 6.933 2.223 118.427 1 T 9.420e+05 0.00e+00 a 0 - - -
116 6.925 2.028 118.394 1 T 1.450e+06 0.00e+00 a 0 - - -
117 6.949 1.802 118.226 1 T 9.360e+05 0.00e+00 a 0 - - -
118 6.922 1.693 118.429 1 T 2.100e+06 0.00e+00 a 0 - - -
119 6.930 1.310 118.345 1 T 1.840e+06 0.00e+00 a 0 - - -
120 6.936 0.941 118.337 1 T 1.280e+06 0.00e+00 a 0 - - -
121 6.924 0.820 118.420 1 T 1.970e+06 0.00e+00 a 0 - - -
122 6.942 0.536 118.216 1 T 6.650e+05 0.00e+00 a 0 - - -
123 6.939 3.005 118.385 1 T 8.730e+05 0.00e+00 a 0 - - -
124 6.923 2.892 118.535 1 T 1.490e+06 0.00e+00 a 0 - - -
125 6.932 3.957 118.365 1 T 6.090e+05 0.00e+00 a 0 - - -
126 6.923 4.559 118.439 1 T 1.380e+06 0.00e+00 a 0 - - -
127 6.919 4.437 118.441 1 T 1.450e+06 0.00e+00 a 0 - - -
128 6.926 4.235 118.488 1 T 6.780e+05 0.00e+00 a 0 - - -
129 7.372 0.900 114.239 1 T 1.650e+06 0.00e+00 a 0 - - -
130 7.373 1.840 113.947 1 T 6.560e+05 0.00e+00 a 0 - - -
131 7.372 2.118 114.242 1 T 1.180e+06 0.00e+00 a 0 - - -
132 7.366 3.926 114.122 1 T 6.940e+05 0.00e+00 a 0 - - -
133 7.369 7.005 114.198 1 T 2.500e+06 0.00e+00 a 0 - - -
134 7.275 0.800 113.657 1 T 9.310e+05 0.00e+00 a 0 - - -
135 7.256 0.794 113.564 1 T 1.010e+06 0.00e+00 a 0 - - -
136 7.264 -0.090 113.577 1 T 7.570e+05 0.00e+00 a 0 - - -
137 7.259 1.840 113.589 1 T 5.020e+05 0.00e+00 a 0 - - -
138 7.259 6.811 113.514 1 T 1.260e+06 0.00e+00 a 0 - - -
139 7.271 1.362 113.313 1 T 4.720e+05 0.00e+00 a 0 - - -
140 7.828 3.280 138.742 1 T 4.270e+05 0.00e+00 a 0 - - -
141 7.823 4.081 138.632 1 T 5.030e+05 0.00e+00 a 0 - - -
142 7.820 4.459 138.736 1 T 4.550e+05 0.00e+00 a 0 - - -
143 7.015 4.414 131.359 1 T 5.940e+05 0.00e+00 a 0 - - -
144 6.981 3.164 131.138 1 T 1.070e+06 0.00e+00 a 0 - - -
145 7.003 7.388 132.041 1 T 8.870e+05 0.00e+00 a 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 . . 18.023 ppm . . . 4.840 . . 34528 3
2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 3
3 . . C 13 C-aromatic . . 30.0 ppm . . . 127.0 . . 34528 3
stop_
save_