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 34552
_Spectral_peak_list.ID 2
_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 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-HSQC 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 C
#INAME 2 H
#INAME 3 HC
#CYANAFORMAT ChH
1 132.161 3.012 7.136 1 U 3.76e+04 0 e 0 1687 1693 1695
2 132.153 7.135 7.136 1 U 3.07e+06 0 e 0 1687 1695 1695
3 132.200 8.568 7.135 1 U 4.43e+04 0 e 0 0 0 0
4 132.200 8.141 7.136 1 U 2.78e+04 0 e 0 0 0 0
5 132.144 5.553 7.136 1 U 3.82e+04 0 e 0 0 0 0
6 132.157 3.824 7.136 1 U 7.39e+04 0 e 0 0 0 0
7 132.114 1.844 7.134 1 U 3.21e+04 0 e 0 0 0 0
8 132.200 1.958 7.136 1 U 3e+04 0 e 0 0 0 0
9 132.160 1.236 7.136 1 U 7.76e+04 0 e 0 0 0 0
10 132.170 2.787 7.137 1 U 3.07e+04 0 e 0 1688 1694 1696
11 130.280 7.139 7.315 1 U 1.66e+05 0 e 0 1689 1695 1697
12 130.304 7.309 7.316 1 U 2.92e+05 0 e 0 1689 1697 1697
13 130.325 1.233 7.315 1 U 1.52e+04 0 e 0 0 0 0
14 130.249 1.392 7.315 1 U 1.18e+04 0 e 0 0 0 0
15 132.156 7.318 7.136 1 U 2.25e+05 0 e 0 1687 1697 1695
16 128.109 1.276 7.294 1 U 7.97e+03 0 e 0 0 0 0
17 128.206 3.438 7.292 1 U 9.57e+03 0 e 0 0 0 0
18 128.163 3.291 7.297 1 U 1.25e+04 0 e 0 0 0 0
19 128.211 3.622 7.294 1 U 1.21e+04 0 e 0 0 0 0
20 128.243 3.725 7.290 1 U 8.34e+03 0 e 0 1067 1073 1074
21 128.250 4.392 7.293 1 U 8.67e+03 0 e 0 0 0 0
22 128.188 7.859 7.296 1 U 1.94e+04 0 e 0 0 0 0
23 128.237 8.748 7.292 1 U 9.53e+03 0 e 0 0 0 0
24 133.999 6.785 7.079 1 U 3.69e+05 0 e 0 554 564 562
25 133.979 3.047 7.078 1 U 4.22e+04 0 e 0 554 561 562
26 132.176 7.135 7.136 1 U 3.07e+06 0 e 0 1688 1696 1696
27 130.297 7.310 7.315 1 U 2.92e+05 0 e 0 1690 1698 1698
28 115.262 7.457 7.459 1 U 6.68e+05 0 e 0 1069 1077 1077
29 134.045 2.758 7.079 1 U 2.47e+04 0 e 0 554 560 562
30 134.037 7.078 7.078 1 U 9.8e+05 0 e 0 554 562 562
31 134.080 6.527 7.079 1 U 1.18e+04 0 e 0 0 0 0
32 134.038 4.767 7.079 1 U 1.98e+04 0 e 0 0 0 0
33 134.019 1.944 7.081 1 U 2.21e+04 0 e 0 0 0 0
34 133.987 1.758 7.079 1 U 5.52e+04 0 e 0 0 0 0
35 134.003 1.688 7.079 1 U 4.14e+04 0 e 0 0 0 0
36 134.079 1.296 7.078 1 U 1.45e+04 0 e 0 0 0 0
37 133.946 1.395 7.078 1 U 1.96e+04 0 e 0 0 0 0
38 132.162 6.860 7.135 1 U 3.3e+04 0 e 0 0 0 0
39 134.039 8.900 7.078 1 U 1.09e+04 0 e 0 0 0 0
40 129.868 6.807 6.807 1 U 3.62e+04 0 e 0 1775 1779 1779
41 134.031 6.782 7.192 1 U 2.82e+04 0 e 0 0 0 0
42 119.323 6.784 6.785 1 U 1.57e+06 0 e 0 556 564 564
43 119.266 6.781 6.982 1 U 4.76e+04 0 e 0 0 0 0
44 119.320 6.785 6.587 1 U 5.44e+04 0 e 0 0 0 0
45 119.308 6.782 7.252 1 U 2.49e+04 0 e 0 0 0 0
46 119.326 6.790 6.323 1 U 2.91e+04 0 e 0 0 0 0
47 119.465 3.051 6.785 1 U 1.48e+04 0 e 0 556 561 564
48 119.427 4.765 6.785 1 U 5.49e+04 0 e 0 0 0 0
49 119.413 7.543 6.785 1 U 2.42e+04 0 e 0 0 0 0
50 119.451 8.069 6.785 1 U 9.31e+03 0 e 0 0 0 0
51 119.420 6.542 6.785 1 U 2.8e+04 0 e 0 0 0 0
52 119.414 1.768 6.785 1 U 4.17e+04 0 e 0 0 0 0
53 119.433 1.667 6.786 1 U 2.9e+04 0 e 0 0 0 0
54 119.411 1.574 6.787 1 U 3.42e+04 0 e 0 0 0 0
55 119.403 1.296 6.786 1 U 1.57e+04 0 e 0 0 0 0
56 119.096 4.768 6.646 1 U 3.6e+04 0 e 0 0 0 0
57 119.090 4.004 6.644 1 U 1.04e+04 0 e 0 0 0 0
58 119.068 3.066 6.647 1 U 1.37e+04 0 e 0 0 0 0
59 119.081 7.952 6.646 1 U 1.22e+04 0 e 0 0 0 0
60 119.011 8.166 6.646 1 U 1.04e+04 0 e 0 0 0 0
61 118.979 8.381 6.643 1 U 1.78e+04 0 e 0 0 0 0
62 133.700 2.979 6.968 1 U 1.67e+04 0 e 0 0 0 0
63 133.614 1.944 6.968 1 U 1.03e+04 0 e 0 0 0 0
64 133.644 1.369 6.968 1 U 1.41e+04 0 e 0 0 0 0
65 132.189 1.383 7.135 1 U 8.65e+04 0 e 0 0 0 0
66 119.385 7.079 6.784 1 U 4.67e+05 0 e 0 556 562 564
67 119.061 6.374 6.646 1 U 1.45e+04 0 e 0 0 0 0
68 119.054 1.946 6.646 1 U 3.95e+04 0 e 0 0 0 0
69 119.063 1.782 6.647 1 U 4.21e+04 0 e 0 0 0 0
70 119.034 1.673 6.648 1 U 4.64e+04 0 e 0 0 0 0
71 119.045 1.506 6.647 1 U 4e+04 0 e 0 0 0 0
72 119.017 1.348 6.647 1 U 2.33e+04 0 e 0 0 0 0
73 119.048 2.056 6.647 1 U 1.95e+04 0 e 0 0 0 0
74 125.272 7.456 7.197 1 U 1.42e+05 0 e 0 1068 1077 1076
75 125.290 7.194 7.196 1 U 6.37e+05 0 e 0 1068 1076 1076
76 115.288 1.317 7.456 1 U 1.33e+04 0 e 0 0 0 0
77 125.268 3.894 7.197 1 U 1.68e+04 0 e 0 0 0 0
78 125.235 1.051 7.196 1 U 1.2e+04 0 e 0 0 0 0
79 125.312 0.902 7.201 1 U 1.36e+04 0 e 0 0 0 0
80 122.524 7.184 7.626 1 U 6.43e+04 0 e 0 0 0 0
81 115.251 7.195 7.459 1 U 2.09e+05 0 e 0 1069 1076 1077
82 125.300 7.604 7.197 1 U 2.31e+04 0 e 0 0 0 0
83 120.661 7.117 7.117 1 U 7.3e+06 0 e 0 0 0 0
84 119.073 6.965 6.647 1 U 4.31e+05 0 e 0 892 894 896
85 119.062 6.646 6.647 1 U 1.34e+06 0 e 0 892 896 896
86 119.031 2.061 6.647 1 U 1.71e+04 0 e 0 0 0 0
87 133.686 6.970 6.968 1 U 4.41e+05 0 e 0 890 894 894
88 129.879 7.029 6.809 1 U 3.21e+04 0 e 0 1775 1781 1779
89 122.461 7.622 7.624 1 U 1.01e+05 0 e 0 0 0 0
90 119.408 1.430 6.787 1 U 2.05e+04 0 e 0 0 0 0
91 119.289 6.781 6.786 1 U 1.57e+06 0 e 0 557 565 565
92 119.289 7.073 6.784 1 U 4.67e+05 0 e 0 557 562 565
93 119.289 7.073 6.784 1 U 4.67e+05 0 e 0 556 563 564
94 119.289 7.065 6.786 1 U 4.67e+05 0 e 0 557 563 565
95 119.289 6.789 6.786 1 U 1.49e+06 0 e 0 556 565 564
96 119.289 6.772 6.788 1 U 1.55e+06 0 e 0 557 564 565
97 119.289 4.912 7.167 1 U 1.36e+03 0 e 0 0 0 0
98 119.408 3.051 6.786 1 U 1.48e+04 0 e 0 557 561 565
99 134.018 6.781 7.079 1 U 3.69e+05 0 e 0 555 564 563
100 134.018 6.781 7.081 1 U 3.67e+05 0 e 0 554 565 562
101 134.018 6.781 7.081 1 U 3.67e+05 0 e 0 555 565 563
102 134.018 7.082 7.077 1 U 9.4e+05 0 e 0 555 563 563
103 134.018 7.073 7.077 1 U 9.8e+05 0 e 0 555 562 563
104 134.018 7.082 7.077 1 U 9.4e+05 0 e 0 554 563 562
105 134.018 2.759 7.083 1 U 2.45e+04 0 e 0 555 560 563
106 134.018 3.043 7.079 1 U 4.22e+04 0 e 0 555 561 563
107 133.700 6.645 6.968 1 U 2.42e+05 0 e 0 890 896 894
108 133.671 1.769 6.972 1 U 1.05e+04 0 e 0 0 0 0
109 133.700 1.503 6.968 1 U 9.1e+03 0 e 0 0 0 0
110 133.700 1.210 6.969 1 U 7.01e+03 0 e 0 0 0 0
111 133.700 6.964 6.967 1 U 4.28e+05 0 e 0 891 895 895
112 133.700 6.964 6.968 1 U 4.41e+05 0 e 0 890 895 894
113 133.700 6.972 6.967 1 U 4.28e+05 0 e 0 891 894 895
114 133.700 6.641 6.969 1 U 2.42e+05 0 e 0 890 897 894
115 133.700 6.645 6.969 1 U 2.42e+05 0 e 0 891 896 895
116 133.700 6.641 6.969 1 U 2.42e+05 0 e 0 891 897 895
117 132.557 2.294 7.093 1 U 8.8e+03 0 e 0 1666 1670 1672
118 132.557 2.336 7.093 1 U 8.6e+03 0 e 0 1666 1671 1672
119 130.300 7.313 7.316 1 U 2.92e+05 0 e 0 1690 1697 1698
120 130.300 7.308 7.316 1 U 2.92e+05 0 e 0 1689 1698 1697
121 130.300 7.135 7.314 1 U 1.72e+05 0 e 0 1690 1696 1698
122 130.300 7.140 7.314 1 U 1.64e+05 0 e 0 1690 1695 1698
123 130.300 7.140 7.316 1 U 1.66e+05 0 e 0 1689 1696 1697
124 132.082 7.322 7.136 1 U 2.25e+05 0 e 0 1688 1698 1696
125 132.082 7.322 7.137 1 U 2.25e+05 0 e 0 1687 1698 1695
126 132.082 7.322 7.137 1 U 2.25e+05 0 e 0 1688 1697 1696
127 132.082 7.135 7.136 1 U 3.07e+06 0 e 0 1687 1696 1695
128 132.082 7.135 7.137 1 U 3.07e+06 0 e 0 1688 1695 1696
129 132.082 2.785 7.136 1 U 3.07e+04 0 e 0 1687 1694 1695
130 132.082 3.013 7.135 1 U 3.76e+04 0 e 0 1688 1693 1696
131 132.104 4.293 7.138 1 U 1.07e+04 0 e 0 0 0 0
132 132.104 4.033 7.133 1 U 9.35e+03 0 e 0 0 0 0
133 132.107 3.264 7.129 1 U 7.88e+03 0 e 0 0 0 0
134 132.218 8.247 7.131 1 U 2.34e+04 0 e 0 0 0 0
135 132.121 8.004 7.135 1 U 1.27e+04 0 e 0 0 0 0
136 132.071 7.524 7.137 1 U 1.77e+04 0 e 0 0 0 0
137 132.619 7.091 7.093 1 U 7.58e+04 0 e 0 1666 1672 1672
138 132.619 7.082 7.093 1 U 7.58e+04 0 e 0 1667 1673 1673
139 132.619 7.077 7.094 1 U 5.94e+04 0 e 0 1666 1673 1672
140 132.637 7.091 7.094 1 U 7.58e+04 0 e 0 1667 1672 1673
141 132.600 2.339 7.093 1 U 8.6e+03 0 e 0 1667 1671 1673
142 132.600 2.292 7.093 1 U 8.8e+03 0 e 0 1667 1670 1673
143 128.258 3.367 7.293 1 U 9.24e+03 0 e 0 1067 1072 1074
144 128.185 7.290 7.292 1 U 7.63e+05 0 e 0 1067 1074 1074
145 128.238 3.985 7.290 1 U 6.57e+03 0 e 0 0 0 0
146 115.227 7.314 7.459 1 U 4.89e+04 0 e 0 1069 1074 1077
147 115.282 1.400 7.457 1 U 1.25e+04 0 e 0 0 0 0
148 120.744 3.057 7.116 1 U 4.44e+04 0 e 0 0 0 0
149 125.300 1.312 7.197 1 U 5.75e+03 0 e 0 0 0 0
150 119.419 0.893 6.778 1 U 7.92e+03 0 e 0 0 0 0
151 119.433 7.273 6.781 1 U 1.84e+04 0 e 0 0 0 0
152 119.459 8.834 6.792 1 U 6.07e+03 0 e 0 0 0 0
153 119.545 8.270 6.792 1 U 6.68e+03 0 e 0 0 0 0
154 119.541 8.264 6.786 1 U 6.56e+03 0 e 0 0 0 0
155 134.017 7.518 7.079 1 U 9.54e+03 0 e 0 0 0 0
156 134.066 8.262 7.077 1 U 7.05e+03 0 e 0 0 0 0
157 133.964 2.071 7.078 1 U 1.11e+04 0 e 0 0 0 0
158 132.619 8.001 7.087 1 U 6.24e+03 0 e 0 0 0 0
159 132.485 8.810 7.090 1 U 7.24e+03 0 e 0 0 0 0
160 132.619 1.382 7.088 1 U 9.88e+03 0 e 0 0 0 0
161 132.619 1.237 7.088 1 U 6.87e+03 0 e 0 0 0 0
162 130.322 8.002 7.312 1 U 7.12e+03 0 e 0 0 0 0
163 129.935 6.811 6.808 1 U 3.62e+04 0 e 0 1776 1780 1780
164 129.935 6.806 6.808 1 U 3.59e+04 0 e 0 1775 1780 1779
165 129.935 6.806 6.807 1 U 3.61e+04 0 e 0 1776 1779 1780
166 129.935 7.026 6.809 1 U 3.21e+04 0 e 0 1775 1782 1779
167 129.935 7.030 6.809 1 U 3.21e+04 0 e 0 1776 1781 1780
168 129.935 7.035 6.810 1 U 3.21e+04 0 e 0 1776 1782 1780
169 129.880 7.904 6.810 1 U 7.3e+03 0 e 0 0 0 0
170 129.832 0.596 6.801 1 U 1.26e+04 0 e 0 0 0 0
171 129.886 0.749 6.804 1 U 1.72e+04 0 e 0 0 0 0
172 129.916 0.895 6.801 1 U 1.74e+04 0 e 0 0 0 0
173 129.863 1.350 6.805 1 U 1.24e+04 0 e 0 0 0 0
174 129.869 1.502 6.805 1 U 8.27e+03 0 e 0 0 0 0
175 131.933 0.747 7.013 1 U 1.54e+04 0 e 0 0 0 0
176 132.058 0.899 7.013 1 U 1.24e+04 0 e 0 0 0 0
177 132.049 1.373 7.013 1 U 1.09e+04 0 e 0 0 0 0
178 131.870 0.607 7.014 1 U 4.76e+03 0 e 0 0 0 0
179 131.946 6.807 7.020 1 U 1.91e+04 0 e 0 1777 1779 1781
180 131.950 6.806 7.019 1 U 1.91e+04 0 e 0 1777 1780 1781
181 131.950 6.801 7.019 1 U 1.91e+04 0 e 0 1778 1779 1782
182 131.950 6.801 7.019 1 U 1.91e+04 0 e 0 1778 1780 1782
183 131.950 7.012 7.017 1 U 5.29e+04 0 e 0 1777 1781 1781
184 131.950 7.016 7.017 1 U 5.29e+04 0 e 0 1777 1782 1781
185 131.950 7.021 7.018 1 U 5.38e+04 0 e 0 1778 1781 1782
186 131.950 7.016 7.018 1 U 5.38e+04 0 e 0 1778 1782 1782
187 131.892 8.375 7.016 1 U 5.08e+03 0 e 0 0 0 0
188 131.796 8.235 7.018 1 U 5.31e+03 0 e 0 0 0 0
189 132.022 8.101 7.020 1 U 3.87e+03 0 e 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 . . C 13 C-aromatic . folded 6099.886 Hz . . . 126.567 . . 34552 2
2 . . H 1 H . . 8000 Hz . . . 4.76 . . 34552 2
3 . . H 1 H . . 6862.241 Hz . . . 4.76 . . 34552 2
stop_
save_