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 30543
_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 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 16
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic'
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_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 C
# INAME 3 H
# SPECTRUM C13NOESY HC C H
10 2.123 18.578 7.154 9 T 1.145e+07 0.000e+00 a 0 0 0 0 0
12 2.122 18.671 6.749 9 T 5.483e+06 0.000e+00 a 0 0 0 0 0
16 2.118 18.503 3.951 9 T 5.130e+06 0.000e+00 a 0 0 0 0 0
5016 2.118 18.503 3.951 9 T 5.130e+06 0.000e+00 a 0 0 0 0 0
19 2.118 18.537 0.990 9 T 3.608e+06 0.000e+00 a 0 0 0 0 0
5019 2.118 18.537 0.990 9 T 3.608e+06 0.000e+00 a 0 0 0 0 0
20 2.117 18.608 1.143 9 T 2.958e+06 0.000e+00 a 0 0 0 0 0
5020 2.117 18.608 1.143 9 T 2.958e+06 0.000e+00 a 0 0 0 0 0
21 2.119 18.556 0.774 9 T 1.242e+07 0.000e+00 a 0 0 0 0 0
22 2.121 18.624 0.648 9 T 1.063e+07 0.000e+00 a 0 0 0 0 0
23 2.123 18.562 0.439 9 T 1.567e+07 0.000e+00 a 0 0 0 0 0
24 2.120 18.562 0.203 9 T 7.370e+06 0.000e+00 a 0 0 0 0 0
33 0.906 24.399 2.047 9 T 1.422e+07 0.000e+00 a 0 0 0 0 0
35 0.882 22.840 1.310 9 T 5.765e+06 0.000e+00 a 0 0 0 0 0
5035 0.882 22.840 1.310 9 T 5.765e+06 0.000e+00 a 0 0 0 0 0
36 0.880 22.998 0.967 9 T 6.067e+07 0.000e+00 a 0 0 0 0 0
37 0.888 23.061 2.241 9 T 9.249e+06 0.000e+00 a 0 0 0 0 0
38 0.884 23.020 2.023 9 T 1.061e+07 0.000e+00 a 0 0 0 0 0
39 0.882 22.981 3.491 9 T 9.268e+06 0.000e+00 a 0 0 0 0 0
40 0.881 22.934 3.879 9 T 1.924e+07 0.000e+00 a 0 0 0 0 0
41 0.881 22.983 4.149 9 T 1.238e+07 0.000e+00 a 0 0 0 0 0
42 0.906 24.449 1.763 9 T 1.892e+07 0.000e+00 a 0 0 0 0 0
5042 0.906 24.449 1.763 9 T 1.892e+07 0.000e+00 a 0 0 0 0 0
43 0.909 24.448 4.154 9 T 3.890e+07 0.000e+00 a 0 0 0 0 0
46 1.096 22.402 3.525 9 T 1.158e+07 0.000e+00 a 0 0 0 0 0
47 0.808 26.428 1.111 9 T 1.547e+07 0.000e+00 a 0 0 0 0 0
49 0.905 24.229 3.051 9 T 5.327e+06 0.000e+00 a 0 0 0 0 0
50 1.496 24.839 3.038 9 T 6.345e+06 0.000e+00 a 0 0 0 0 0
52 0.904 24.395 4.426 9 T 7.404e+06 0.000e+00 a 0 0 0 0 0
57 0.423 22.978 0.746 9 T 8.972e+06 0.000e+00 a 0 0 0 0 0
58 0.410 22.952 1.005 9 T 6.952e+06 0.000e+00 a 0 0 0 0 0
59 0.410 23.084 2.128 9 T 1.019e+07 0.000e+00 a 0 0 0 0 0
67 0.610 23.797 0.986 9 T 8.746e+06 0.000e+00 a 0 0 0 0 0
73 0.178 25.231 2.153 9 T 2.932e+06 0.000e+00 a 0 0 0 0 0
5073 0.178 25.231 2.153 9 T 2.932e+06 0.000e+00 a 0 0 0 0 0
78 0.526 21.267 1.117 9 T 5.603e+06 0.000e+00 a 0 0 0 0 0
84 0.613 23.646 0.762 9 T 9.926e+06 0.000e+00 a 0 0 0 0 0
85 0.617 23.735 2.129 9 T 7.539e+06 0.000e+00 a 0 0 0 0 0
86 0.620 23.736 4.152 9 T 5.854e+06 0.000e+00 a 0 0 0 0 0
87 0.619 23.809 2.463 9 T 3.533e+06 0.000e+00 a 0 0 0 0 0
91 1.067 28.335 0.765 9 T 7.828e+06 0.000e+00 a 0 0 0 0 0
92 1.064 28.394 1.102 9 T 9.134e+06 0.000e+00 a 0 0 0 0 0
93 1.082 28.285 0.961 9 T 9.287e+06 0.000e+00 a 0 0 0 0 0
94 1.063 28.341 3.446 9 T 6.364e+06 0.000e+00 a 0 0 0 0 0
95 1.062 28.345 4.112 9 T 7.127e+06 0.000e+00 a 0 0 0 0 0
96 1.072 28.376 3.919 9 T 5.679e+06 0.000e+00 a 0 0 0 0 0
103 0.967 27.731 1.312 9 T 6.234e+06 0.000e+00 a 0 0 0 0 0
105 0.962 27.718 2.037 9 T 7.546e+06 0.000e+00 a 0 0 0 0 0
106 0.962 27.728 3.497 9 T 9.942e+06 0.000e+00 a 0 0 0 0 0
107 0.966 27.852 3.886 9 T 5.409e+06 0.000e+00 a 0 0 0 0 0
108 0.968 27.853 4.163 9 T 2.859e+06 0.000e+00 a 0 0 0 0 0
5108 0.968 27.853 4.163 9 T 2.859e+06 0.000e+00 a 0 0 0 0 0
110 0.958 27.589 2.238 9 T 4.609e+06 0.000e+00 a 0 0 0 0 0
116 1.085 25.097 0.937 9 T 2.048e+07 0.000e+00 a 0 0 0 0 0
118 0.985 25.818 2.046 9 T 1.604e+07 0.000e+00 a 0 0 0 0 0
119 0.986 25.831 4.156 9 T 1.388e+07 0.000e+00 a 0 0 0 0 0
5119 0.986 25.831 4.156 9 T 1.388e+07 0.000e+00 a 0 0 0 0 0
120 0.987 25.637 3.926 9 T 8.908e+06 0.000e+00 a 0 0 0 0 0
124 0.975 26.058 3.019 9 T 7.194e+06 0.000e+00 a 0 0 0 0 0
125 0.981 25.818 3.457 9 T 2.678e+06 0.000e+00 a 0 0 0 0 0
5125 0.981 25.818 3.457 9 T 2.678e+06 0.000e+00 a 0 0 0 0 0
128 1.285 21.113 0.940 9 T 1.546e+07 0.000e+00 a 0 0 0 0 0
130 1.097 22.373 1.674 9 T 4.903e+06 0.000e+00 a 0 0 0 0 0
132 1.102 22.459 0.816 9 T 2.615e+07 0.000e+00 a 0 0 0 0 0
134 1.097 22.374 3.916 9 T 5.170e+06 0.000e+00 a 0 0 0 0 0
5134 1.097 22.374 3.916 9 T 5.170e+06 0.000e+00 a 0 0 0 0 0
135 1.101 22.358 4.148 9 T 7.168e+06 0.000e+00 a 0 0 0 0 0
138 0.920 21.420 1.636 9 T 1.077e+07 0.000e+00 a 0 0 0 0 0
139 0.926 21.474 1.833 9 T 1.237e+07 0.000e+00 a 0 0 0 0 0
140 0.929 21.467 2.048 9 T 7.811e+06 0.000e+00 a 0 0 0 0 0
141 0.923 21.424 2.207 9 T 4.296e+06 0.000e+00 a 0 0 0 0 0
5141 0.923 21.424 2.207 9 T 4.296e+06 0.000e+00 a 0 0 0 0 0
142 0.931 21.432 3.022 9 T 1.253e+07 0.000e+00 a 0 0 0 0 0
146 1.819 28.710 0.960 9 T 1.421e+07 0.000e+00 a 0 0 0 0 0
150 1.088 25.094 3.021 9 T 7.703e+06 0.000e+00 a 0 0 0 0 0
153 0.733 21.064 1.054 9 T 1.164e+07 0.000e+00 a 0 0 0 0 0
154 0.724 21.175 0.444 9 T 5.817e+06 0.000e+00 a 0 0 0 0 0
156 0.734 21.298 2.267 9 T 6.048e+06 0.000e+00 a 0 0 0 0 0
158 0.741 21.059 3.460 9 T 4.535e+06 0.000e+00 a 0 0 0 0 0
159 0.740 21.069 3.934 9 T 6.644e+06 0.000e+00 a 0 0 0 0 0
162 1.085 25.086 1.638 9 T 1.179e+07 0.000e+00 a 0 0 0 0 0
163 1.086 25.135 1.846 9 T 5.525e+06 0.000e+00 a 0 0 0 0 0
5163 1.086 25.135 1.846 9 T 5.525e+06 0.000e+00 a 0 0 0 0 0
164 1.075 25.142 2.051 9 T 6.568e+06 0.000e+00 a 0 0 0 0 0
165 1.088 25.061 2.206 9 T 5.672e+06 0.000e+00 a 0 0 0 0 0
166 1.092 25.129 3.486 9 T 5.904e+06 0.000e+00 a 0 0 0 0 0
169 1.493 24.586 0.960 9 T 7.834e+06 0.000e+00 a 0 0 0 0 0
170 1.504 24.780 1.764 9 T 9.469e+06 0.000e+00 a 0 0 0 0 0
171 1.589 24.930 1.107 9 T 5.834e+06 0.000e+00 a 0 0 0 0 0
172 1.599 25.063 0.950 9 T 8.634e+06 0.000e+00 a 0 0 0 0 0
173 1.625 25.084 0.955 9 T 7.754e+06 0.000e+00 a 0 0 0 0 0
174 1.633 25.003 1.103 9 T 6.541e+06 0.000e+00 a 0 0 0 0 0
180 1.763 27.314 0.944 9 T 1.559e+07 0.000e+00 a 0 0 0 0 0
182 1.746 27.366 4.134 9 T 3.968e+06 0.000e+00 a 0 0 0 0 0
183 1.819 28.650 1.107 9 T 1.005e+07 0.000e+00 a 0 0 0 0 0
188 1.819 26.776 0.956 9 T 4.726e+06 0.000e+00 a 0 0 0 0 0
5188 1.819 26.776 0.956 9 T 4.726e+06 0.000e+00 a 0 0 0 0 0
201 2.227 37.437 1.113 9 T 2.680e+06 0.000e+00 a 0 0 0 0 0
5201 2.227 37.437 1.113 9 T 2.680e+06 0.000e+00 a 0 0 0 0 0
203 3.030 41.914 0.954 9 T 1.565e+07 0.000e+00 a 0 0 0 0 0
204 2.966 41.848 0.957 9 T 1.302e+07 0.000e+00 a 0 0 0 0 0
211 2.028 42.488 0.960 9 T 9.791e+06 0.000e+00 a 0 0 0 0 0
212 1.838 42.668 0.954 9 T 7.564e+06 0.000e+00 a 0 0 0 0 0
213 1.743 42.529 0.954 9 T 9.996e+06 0.000e+00 a 0 0 0 0 0
214 1.679 42.515 0.953 9 T 5.130e+06 0.000e+00 a 0 0 0 0 0
5214 1.679 42.515 0.953 9 T 5.130e+06 0.000e+00 a 0 0 0 0 0
219 1.699 28.932 4.121 9 T 2.586e+06 0.000e+00 a 0 0 0 0 0
5219 1.699 28.932 4.121 9 T 2.586e+06 0.000e+00 a 0 0 0 0 0
220 1.704 28.994 1.955 9 T 7.236e+06 0.000e+00 a 0 0 0 0 0
221 1.693 29.174 4.427 9 T 4.222e+06 0.000e+00 a 0 0 0 0 0
229 1.107 22.342 1.074 9 T 1.044e+07 0.000e+00 a 0 0 0 0 0
5229 1.107 22.342 1.074 9 T 1.044e+07 0.000e+00 a 0 0 0 0 0
230 1.095 25.079 1.099 9 T 7.420e+06 0.000e+00 a 0 0 0 0 0
5230 1.095 25.079 1.099 9 T 7.420e+06 0.000e+00 a 0 0 0 0 0
244 1.083 24.969 4.147 9 T 6.623e+06 0.000e+00 a 0 0 0 0 0
245 0.183 25.063 0.769 9 T 4.661e+06 0.000e+00 a 0 0 0 0 0
247 1.103 22.377 0.567 9 T 9.457e+06 0.000e+00 a 0 0 0 0 0
249 0.734 27.816 2.136 9 T 5.696e+06 0.000e+00 a 0 0 0 0 0
250 0.737 27.637 1.113 9 T 1.280e+07 0.000e+00 a 0 0 0 0 0
251 0.723 27.798 2.444 9 T 4.608e+06 0.000e+00 a 0 0 0 0 0
253 0.724 27.575 3.526 9 T 3.310e+06 0.000e+00 a 0 0 0 0 0
5253 0.724 27.575 3.526 9 T 3.310e+06 0.000e+00 a 0 0 0 0 0
254 0.736 27.685 4.154 9 T 8.639e+06 0.000e+00 a 0 0 0 0 0
255 0.616 23.566 2.831 9 T 3.514e+06 0.000e+00 a 0 0 0 0 0
260 0.986 25.784 0.443 9 T 6.238e+06 0.000e+00 a 0 0 0 0 0
265 1.096 22.405 7.165 9 T 4.723e+06 0.000e+00 a 0 0 0 0 0
273 0.736 20.952 0.199 9 T 3.953e+06 0.000e+00 a 0 0 0 0 0
280 1.697 29.038 3.056 9 T 7.160e+06 0.000e+00 a 0 0 0 0 0
283 1.098 22.477 2.284 9 T 7.589e+06 0.000e+00 a 0 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 . . H 1 H-aliphatic 2 aliased 13.9505 ppm . . . 4.7 . . 30543 3
2 . . C 13 C-aliphatic 1 aliased 40.5 ppm . . . 25.75 . . 30543 3
3 . . H 1 H . aliased 10.0 ppm . . . 4.7 . . 30543 3
stop_
save_