Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 34526
_Spectral_peak_list.ID 2
_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 10
_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
67 6.924 4.571 118.616 1 T 1.366e+06 0.00e+00 a 0 - - -
68 6.924 4.428 118.584 1 T 1.445e+06 0.00e+00 a 0 - - -
69 6.927 4.116 118.630 1 T 5.678e+05 0.00e+00 a 0 - - -
70 6.925 3.265 118.588 1 T 2.848e+06 0.00e+00 a 0 - - -
71 6.926 2.905 118.526 1 T 2.106e+06 0.00e+00 a 0 - - -
72 6.925 2.058 118.537 1 T 1.282e+06 0.00e+00 a 0 - - -
73 6.925 1.896 118.540 1 T 9.890e+05 0.00e+00 a 0 - - -
74 6.929 1.685 118.493 1 T 2.472e+06 0.00e+00 a 0 - - -
75 6.928 1.431 118.473 1 T 1.366e+06 0.00e+00 a 0 - - -
76 6.930 1.276 118.505 1 T 1.377e+06 0.00e+00 a 0 - - -
77 6.928 0.853 118.532 1 T 2.488e+06 0.00e+00 a 0 - - -
78 7.891 1.681 138.101 1 T 5.051e+05 0.00e+00 a 0 - - -
79 7.897 1.855 138.123 1 T 7.978e+05 0.00e+00 a 0 - - -
80 7.893 3.125 138.004 1 T 9.321e+05 0.00e+00 a 0 - - -
81 6.832 3.177 121.650 1 T 1.540e+06 0.00e+00 a 0 - - -
82 6.830 3.473 121.591 1 T 5.773e+05 0.00e+00 a 0 - - -
83 6.832 3.931 121.692 1 T 1.095e+06 0.00e+00 a 0 - - -
85 6.834 1.957 121.595 1 T 8.676e+05 0.00e+00 a 0 - - -
86 6.831 1.553 121.599 1 T 1.385e+06 0.00e+00 a 0 - - -
87 6.830 0.428 121.619 1 T 1.092e+06 0.00e+00 a 0 - - -
88 6.828 0.291 121.671 1 T 1.254e+06 0.00e+00 a 0 - - -
89 7.640 1.957 137.908 1 T 2.964e+06 0.00e+00 a 0 - - -
90 7.637 0.415 137.822 1 T 1.108e+06 0.00e+00 a 0 - - -
91 7.636 0.287 137.890 1 T 1.487e+06 0.00e+00 a 0 - - -
92 7.640 7.882 138.019 1 T 1.179e+06 0.00e+00 a 0 - - -
94 7.277 6.948 134.035 1 T 7.092e+06 0.00e+00 a 0 - - -
95 7.278 4.982 134.078 1 T 2.332e+06 0.00e+00 a 0 - - -
96 7.284 2.968 134.133 1 T 8.876e+05 0.00e+00 a 0 - - -
97 7.279 2.835 133.997 1 T 1.989e+06 0.00e+00 a 0 - - -
98 7.276 3.275 134.050 1 T 1.957e+06 0.00e+00 a 0 - - -
99 7.273 1.615 134.038 1 T 1.013e+06 0.00e+00 a 0 - - -
101 7.275 1.306 133.927 1 T 7.487e+05 0.00e+00 a 0 - - -
102 7.278 1.098 134.006 1 T 7.035e+05 0.00e+00 a 0 - - -
103 7.278 0.901 134.000 1 T 2.499e+06 0.00e+00 a 0 - - -
104 7.271 0.424 134.030 1 T 6.301e+05 0.00e+00 a 0 - - -
105 6.983 3.925 119.432 1 T 1.148e+06 0.00e+00 a 0 - - -
106 6.984 3.186 119.404 1 T 2.339e+06 0.00e+00 a 0 - - -
107 6.987 1.531 119.315 1 T 1.043e+06 0.00e+00 a 0 - - -
108 6.984 0.295 119.438 1 T 9.902e+05 0.00e+00 a 0 - - -
109 7.819 6.939 138.690 1 T 5.447e+05 0.00e+00 a 0 - - -
110 7.821 4.435 138.630 1 T 4.975e+05 0.00e+00 a 0 - - -
111 7.820 4.087 138.718 1 T 4.355e+05 0.00e+00 a 0 - - -
112 7.822 3.296 138.710 1 T 4.341e+05 0.00e+00 a 0 - - -
113 7.818 2.910 138.745 1 T 1.021e+06 0.00e+00 a 0 - - -
114 7.823 2.070 138.685 1 T 8.358e+05 0.00e+00 a 0 - - -
115 7.822 1.893 138.757 1 T 4.898e+05 0.00e+00 a 0 - - -
116 7.822 2.247 138.691 1 T 1.046e+06 0.00e+00 a 0 - - -
117 7.818 1.696 138.695 1 T 7.893e+05 0.00e+00 a 0 - - -
118 7.823 1.660 138.707 1 T 8.772e+05 0.00e+00 a 0 - - -
119 7.822 0.825 138.726 1 T 1.234e+06 0.00e+00 a 0 - - -
120 7.234 4.138 131.147 1 T 7.186e+05 0.00e+00 a 0 - - -
121 7.243 4.070 131.323 1 T 7.154e+05 0.00e+00 a 0 - - -
123 7.243 3.426 131.181 1 T 1.024e+06 0.00e+00 a 0 - - -
124 6.813 4.737 130.511 1 T 8.450e+05 0.00e+00 a 0 - - -
125 6.803 3.351 130.461 1 T 7.867e+05 0.00e+00 a 0 - - -
127 6.800 3.812 130.414 1 T 5.517e+05 0.00e+00 a 0 - - -
128 6.805 1.597 130.450 1 T 5.010e+05 0.00e+00 a 0 - - -
129 7.052 4.252 132.330 1 T 1.715e+06 0.00e+00 a 0 - - -
130 7.059 3.646 132.389 1 T 7.163e+05 0.00e+00 a 0 - - -
131 7.055 3.414 132.202 1 T 1.431e+06 0.00e+00 a 0 - - -
132 7.057 3.115 132.214 1 T 1.801e+06 0.00e+00 a 0 - - -
133 7.052 1.722 132.204 1 T 1.206e+06 0.00e+00 a 0 - - -
134 7.051 0.766 132.307 1 T 1.795e+06 0.00e+00 a 0 - - -
135 7.052 0.417 132.223 1 T 9.476e+05 0.00e+00 a 0 - - -
136 7.051 -0.252 132.382 1 T 5.932e+05 0.00e+00 a 0 - - -
137 7.130 3.908 131.579 1 T 8.203e+05 0.00e+00 a 0 - - -
138 7.164 3.952 131.660 1 T 4.015e+05 0.00e+00 a 0 - - -
139 7.127 2.643 131.761 1 T 9.035e+05 0.00e+00 a 0 - - -
140 7.134 -0.228 131.343 1 T 1.050e+06 0.00e+00 a 0 - - -
141 6.943 4.322 126.527 1 T 1.065e+06 0.00e+00 a 0 - - -
142 6.944 3.349 126.531 1 T 2.128e+06 0.00e+00 a 0 - - -
143 6.945 3.696 126.433 1 T 9.712e+05 0.00e+00 a 0 - - -
145 6.944 3.830 126.560 1 T 8.370e+05 0.00e+00 a 0 - - -
147 6.940 0.807 126.595 1 T 1.226e+06 0.00e+00 a 0 - - -
148 6.947 -0.080 126.595 1 T 8.164e+05 0.00e+00 a 0 - - -
151 7.022 6.717 120.739 1 T 1.071e+06 0.00e+00 a 0 - - -
152 7.016 7.370 124.758 1 T 2.533e+06 0.00e+00 a 0 - - -
153 7.015 6.697 124.690 1 T 1.921e+06 0.00e+00 a 0 - - -
154 7.007 3.903 124.792 1 T 7.431e+05 0.00e+00 a 0 - - -
155 7.015 2.169 124.726 1 T 1.385e+06 0.00e+00 a 0 - - -
156 7.010 0.904 124.737 1 T 1.420e+06 0.00e+00 a 0 - - -
157 7.013 1.077 124.721 1 T 6.080e+05 0.00e+00 a 0 - - -
159 7.005 0.695 124.962 1 T 7.615e+05 0.00e+00 a 0 - - -
160 7.375 6.702 114.262 1 T 7.715e+05 0.00e+00 a 0 - - -
161 7.373 7.015 114.272 1 T 3.427e+06 0.00e+00 a 0 - - -
162 7.381 4.115 114.390 1 T 6.214e+05 0.00e+00 a 0 - - -
163 7.377 3.882 114.205 1 T 5.834e+05 0.00e+00 a 0 - - -
164 7.372 3.632 114.314 1 T 5.153e+05 0.00e+00 a 0 - - -
165 7.375 2.091 114.269 1 T 1.405e+06 0.00e+00 a 0 - - -
167 7.372 1.860 114.304 1 T 7.181e+05 0.00e+00 a 0 - - -
168 7.371 0.712 114.258 1 T 7.239e+05 0.00e+00 a 0 - - -
169 7.371 0.898 114.143 1 T 1.979e+06 0.00e+00 a 0 - - -
170 7.361 1.100 114.150 1 T 5.800e+05 0.00e+00 a 0 - - -
171 7.374 -0.077 114.358 1 T 7.045e+05 0.00e+00 a 0 - - -
172 6.700 7.011 121.971 1 T 2.101e+06 0.00e+00 a 0 - - -
173 6.701 7.372 122.014 1 T 6.777e+05 0.00e+00 a 0 - - -
174 6.704 1.051 122.135 1 T 7.995e+05 0.00e+00 a 0 - - -
175 6.693 0.676 122.020 1 T 7.268e+05 0.00e+00 a 0 - - -
176 6.705 0.931 121.910 1 T 8.542e+05 0.00e+00 a 0 - - -
177 7.018 3.638 124.427 1 T 7.839e+05 0.00e+00 a 0 - - -
178 7.022 3.187 124.133 1 T 9.652e+05 0.00e+00 a 0 - - -
179 7.545 7.311 121.766 1 T 8.128e+05 0.00e+00 a 0 - - -
180 6.829 7.304 123.103 1 T 1.444e+06 0.00e+00 a 0 - - -
181 6.826 0.799 123.185 1 T 1.115e+06 0.00e+00 a 0 - - -
182 7.309 6.838 113.820 1 T 1.437e+06 0.00e+00 a 0 - - -
183 7.297 2.230 113.923 1 T 6.855e+05 0.00e+00 a 0 - - -
184 7.297 1.326 113.960 1 T 5.945e+05 0.00e+00 a 0 - - -
185 7.302 0.838 113.795 1 T 1.197e+06 0.00e+00 a 0 - - -
186 7.320 -0.083 113.961 1 T 6.861e+05 0.00e+00 a 0 - - -
187 7.321 7.135 132.355 1 T 7.731e+06 0.00e+00 a 0 - - -
188 7.319 4.419 132.367 1 T 2.251e+06 0.00e+00 a 0 - - -
189 7.321 3.382 132.378 1 T 2.060e+06 0.00e+00 a 0 - - -
190 7.319 3.129 132.365 1 T 2.191e+06 0.00e+00 a 0 - - -
191 7.318 2.845 132.331 1 T 5.926e+05 0.00e+00 a 0 - - -
193 7.316 2.559 132.489 1 T 7.098e+05 0.00e+00 a 0 - - -
194 7.323 2.129 132.422 1 T 8.309e+05 0.00e+00 a 0 - - -
195 7.323 1.677 132.331 1 T 1.085e+06 0.00e+00 a 0 - - -
196 7.320 0.918 132.344 1 T 1.232e+06 0.00e+00 a 0 - - -
197 7.322 0.404 132.352 1 T 1.988e+06 0.00e+00 a 0 - - -
199 7.131 7.311 131.348 1 T 5.505e+06 0.00e+00 a 0 - - -
200 7.137 5.120 131.562 1 T 9.039e+05 0.00e+00 a 0 - - -
201 7.138 4.195 131.250 1 T 8.930e+05 0.00e+00 a 0 - - -
202 7.126 3.975 131.291 1 T 8.436e+05 0.00e+00 a 0 - - -
203 7.130 3.118 131.325 1 T 1.564e+06 0.00e+00 a 0 - - -
204 7.140 2.447 131.322 1 T 8.395e+05 0.00e+00 a 0 - - -
206 7.132 1.660 131.301 1 T 1.360e+06 0.00e+00 a 0 - - -
207 7.129 0.884 131.315 1 T 1.412e+06 0.00e+00 a 0 - - -
208 7.131 0.425 131.301 1 T 1.605e+06 0.00e+00 a 0 - - -
209 7.111 -0.238 131.271 1 T 9.503e+05 0.00e+00 a 0 - - -
210 6.946 7.276 118.236 1 T 9.582e+06 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 . . . 4.84 . . 34526 2
2 . . H 1 H . . 11.992 ppm . . . 4.84 . . 34526 2
3 . . C 13 C-aromatic . . 30.009 ppm . . . 127.0 . . 34526 2
stop_
save_