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 30303
_Spectral_peak_list.ID 3
_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 8
_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 .
_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
# Number of peaks 475
# FORMAT cyana3D
# INAME 1 C
# INAME 2 h
# INAME 3 H
# CYANAFORMAT ChH
1 133.212 4.781 6.465 1 U 6.34e+06 0 e 0 0 0 0 0
2 133.200 0.774 6.474 1 U 8.53e+06 0 e 0 0 0 0 0
3 133.108 7.087 6.463 1 U 1.51e+07 0 e 0 0 0 0 0
4 133.106 6.851 6.465 1 U 4.99e+07 0 e 0 0 0 0 0
5 133.077 6.461 6.464 1 U 2.46e+08 0 e 0 0 0 0 0
6 133.084 2.938 6.466 1 U 1.7e+07 0 e 0 0 0 0 0
7 133.107 2.261 6.466 1 U 2.11e+07 0 e 0 0 0 0 0
8 133.064 0.812 6.448 1 U 7e+06 0 e 0 0 0 0 0
9 133.057 0.779 6.464 1 U 1.06e+07 0 e 0 0 0 0 0
10 133.115 0.648 6.465 1 U 1.52e+07 0 e 0 0 0 0 0
11 133.150 0.483 6.465 1 U 4.2e+06 0 e 0 0 0 0 0
12 133.150 -1.160 6.448 1 U 4.5e+06 0 e 0 0 0 0 0
13 133.055 5.865 6.464 1 U 6.77e+06 0 e 0 0 0 0 0
14 132.878 1.975 7.161 1 U 7.45e+06 0 e 0 0 0 0 0
15 132.805 7.151 7.149 1 U 1.75e+08 0 e 0 0 0 0 0
16 132.753 3.211 7.149 1 U 1.08e+07 0 e 0 0 0 0 0
17 132.681 4.323 7.152 1 U 9.59e+06 0 e 0 0 0 0 0
18 132.704 2.954 7.152 1 U 1.49e+07 0 e 0 0 0 0 0
19 132.675 1.943 7.148 1 U 7.54e+06 0 e 0 0 0 0 0
20 132.666 0.774 7.153 1 U 1.49e+07 0 e 0 0 0 0 0
21 132.695 -0.341 7.153 1 U 1.04e+07 0 e 0 0 0 0 0
22 132.540 3.207 7.174 1 U 6e+06 0 e 0 0 0 0 0
23 131.205 0.785 7.102 1 U 9.9e+06 0 e 0 0 0 0 0
24 131.213 0.787 7.087 1 U 1.58e+07 0 e 0 0 0 0 0
25 131.145 7.088 7.088 1 U 2.09e+08 0 e 0 0 0 0 0
26 131.163 6.898 7.088 1 U 2.9e+07 0 e 0 0 0 0 0
27 131.114 0.433 7.089 1 U 1.49e+07 0 e 0 0 0 0 0
28 127.855 7.083 6.899 1 U 4.42e+07 0 e 0 0 0 0 0
29 127.853 6.129 6.901 1 U 5.57e+06 0 e 0 0 0 0 0
30 127.904 1.723 6.900 1 U 6.81e+06 0 e 0 0 0 0 0
31 127.832 0.780 6.900 1 U 2.8e+07 0 e 0 0 0 0 0
32 127.833 0.446 6.899 1 U 1.97e+07 0 e 0 0 0 0 0
33 120.734 2.940 7.340 1 U 4.98e+06 0 e 0 0 0 0 0
34 120.587 1.496 7.335 1 U 5.6e+06 0 e 0 0 0 0 0
35 120.557 1.444 7.329 1 U 5.08e+06 0 e 0 0 0 0 0
36 120.424 7.331 7.332 1 U 3.44e+08 0 e 0 0 0 0 0
37 120.438 4.775 7.333 1 U 2.09e+07 0 e 0 0 0 0 0
38 120.447 2.959 7.330 1 U 8.63e+06 0 e 0 0 0 0 0
39 133.168 4.102 7.400 1 U 1.7e+07 0 e 0 0 0 0 0
40 133.223 3.222 7.406 1 U 1.49e+07 0 e 0 0 0 0 0
41 133.105 7.402 7.403 1 U 2.13e+08 0 e 0 0 0 0 0
42 133.094 6.952 7.403 1 U 4.29e+07 0 e 0 0 0 0 0
43 133.130 4.946 7.403 1 U 2.53e+07 0 e 0 0 0 0 0
44 133.081 1.890 7.402 1 U 6.31e+06 0 e 0 0 0 0 0
45 133.084 0.468 7.406 1 U 8.68e+06 0 e 0 0 0 0 0
46 133.122 0.473 7.397 1 U 8.79e+06 0 e 0 0 0 0 0
47 133.031 4.767 7.410 1 U 6.41e+06 0 e 0 0 0 0 0
48 133.053 4.781 7.394 1 U 6.91e+06 0 e 0 0 0 0 0
49 133.031 3.540 7.400 1 U 1.23e+07 0 e 0 0 0 0 0
50 133.040 1.373 7.404 1 U 7.74e+06 0 e 0 0 0 0 0
51 133.010 3.841 6.789 1 U 1.44e+07 0 e 0 0 0 0 0
52 132.965 2.693 6.791 1 U 1.7e+07 0 e 0 0 0 0 0
53 133.021 1.723 6.810 1 U 5.44e+06 0 e 0 0 0 0 0
54 132.976 1.719 6.794 1 U 1.26e+07 0 e 0 0 0 0 0
55 133.006 1.504 6.793 1 U 4.43e+06 0 e 0 0 0 0 0
56 133.019 1.403 6.792 1 U 8.81e+06 0 e 0 0 0 0 0
57 132.888 6.788 6.789 1 U 2.29e+08 0 e 0 0 0 0 0
58 132.930 6.650 6.788 1 U 5.24e+06 0 e 0 0 0 0 0
59 132.902 6.251 6.789 1 U 3.64e+07 0 e 0 0 0 0 0
60 132.918 2.958 6.787 1 U 1.77e+07 0 e 0 0 0 0 0
61 132.883 1.709 6.785 1 U 1.19e+07 0 e 0 0 0 0 0
62 132.887 1.529 6.787 1 U 5.27e+06 0 e 0 0 0 0 0
63 117.781 4.781 6.250 1 U 1.05e+07 0 e 0 0 0 0 0
64 117.664 6.788 6.251 1 U 2.84e+07 0 e 0 0 0 0 0
65 117.654 6.252 6.253 1 U 1.26e+08 0 e 0 0 0 0 0
66 117.733 1.088 6.255 1 U 7.3e+06 0 e 0 0 0 0 0
67 117.631 4.783 6.252 1 U 1.05e+07 0 e 0 0 0 0 0
68 117.502 1.706 6.256 1 U 6.66e+06 0 e 0 0 0 0 0
69 119.939 7.386 7.388 1 U 5.26e+08 0 e 0 0 0 0 0
70 119.967 4.777 7.389 1 U 1.28e+07 0 e 0 0 0 0 0
71 120.027 4.188 7.391 1 U 4.36e+06 0 e 0 0 0 0 0
72 119.994 3.467 7.390 1 U 6.14e+06 0 e 0 0 0 0 0
73 119.959 3.405 7.388 1 U 6.75e+06 0 e 0 0 0 0 0
74 118.454 6.825 6.954 1 U 1.66e+07 0 e 0 0 0 0 0
75 118.470 6.473 6.951 1 U 1.08e+07 0 e 0 0 0 0 0
76 118.454 1.927 6.951 1 U 7.28e+06 0 e 0 0 0 0 0
77 118.497 0.790 6.956 1 U 5.5e+06 0 e 0 0 0 0 0
78 118.464 0.671 6.955 1 U 1.27e+07 0 e 0 0 0 0 0
79 118.463 0.465 6.954 1 U 6.81e+06 0 e 0 0 0 0 0
80 118.393 7.402 6.954 1 U 6.17e+07 0 e 0 0 0 0 0
81 118.384 6.952 6.954 1 U 3.73e+08 0 e 0 0 0 0 0
82 118.375 4.775 6.954 1 U 1.79e+07 0 e 0 0 0 0 0
83 118.386 1.926 6.961 1 U 5.67e+06 0 e 0 0 0 0 0
84 118.291 0.733 6.961 1 U 6.52e+06 0 e 0 0 0 0 0
85 118.324 0.477 6.962 1 U 6.04e+06 0 e 0 0 0 0 0
86 118.254 4.105 6.952 1 U 6.79e+06 0 e 0 0 0 0 0
87 118.214 3.156 6.943 1 U 4.53e+06 0 e 0 0 0 0 0
88 118.260 1.006 6.958 1 U 5.69e+06 0 e 0 0 0 0 0
89 132.843 8.339 6.436 1 U 5.67e+06 0 e 0 0 0 0 0
90 132.945 3.992 6.434 1 U 8.75e+06 0 e 0 0 0 0 0
91 132.803 6.427 6.426 1 U 1.9e+08 0 e 0 0 0 0 0
92 132.807 4.720 6.424 1 U 6.73e+06 0 e 0 0 0 0 0
93 132.786 4.715 6.431 1 U 6.58e+06 0 e 0 0 0 0 0
94 132.791 3.990 6.419 1 U 8.89e+06 0 e 0 0 0 0 0
95 132.788 2.151 6.427 1 U 1.34e+07 0 e 0 0 0 0 0
96 132.761 0.967 6.424 1 U 1.73e+07 0 e 0 0 0 0 0
97 132.775 0.824 6.426 1 U 1.89e+07 0 e 0 0 0 0 0
98 132.743 0.448 6.423 1 U 5.86e+06 0 e 0 0 0 0 0
99 117.831 7.243 6.535 1 U 5.93e+06 0 e 0 0 0 0 0
100 117.765 3.987 6.537 1 U 7.12e+06 0 e 0 0 0 0 0
101 117.750 1.358 6.541 1 U 1.32e+07 0 e 0 0 0 0 0
102 117.822 1.340 6.526 1 U 4.64e+06 0 e 0 0 0 0 0
103 117.770 0.452 6.535 1 U 7.83e+06 0 e 0 0 0 0 0
104 117.645 7.086 6.539 1 U 7.2e+06 0 e 0 0 0 0 0
105 117.701 6.537 6.539 1 U 2.6e+08 0 e 0 0 0 0 0
106 117.707 6.434 6.539 1 U 5.67e+07 0 e 0 0 0 0 0
107 117.735 4.769 6.540 1 U 1.68e+07 0 e 0 0 0 0 0
108 117.698 0.953 6.542 1 U 6.45e+06 0 e 0 0 0 0 0
109 117.648 0.927 6.526 1 U 5.08e+06 0 e 0 0 0 0 0
110 117.603 3.916 6.540 1 U 6.84e+06 0 e 0 0 0 0 0
111 117.610 1.680 6.544 1 U 8.21e+06 0 e 0 0 0 0 0
112 131.331 6.818 7.449 1 U 1.98e+07 0 e 0 0 0 0 0
113 131.224 0.766 7.448 1 U 1.35e+07 0 e 0 0 0 0 0
114 131.148 7.450 7.449 1 U 1.23e+08 0 e 0 0 0 0 0
115 131.185 7.167 7.448 1 U 1.17e+07 0 e 0 0 0 0 0
116 131.137 5.346 7.456 1 U 7.52e+06 0 e 0 0 0 0 0
117 131.128 5.345 7.446 1 U 1.06e+07 0 e 0 0 0 0 0
118 131.149 3.396 7.454 1 U 9.91e+06 0 e 0 0 0 0 0
119 131.106 2.947 7.452 1 U 1.38e+07 0 e 0 0 0 0 0
120 131.194 0.652 7.451 1 U 1.1e+07 0 e 0 0 0 0 0
121 131.113 0.517 7.439 1 U 4.65e+06 0 e 0 0 0 0 0
122 131.027 10.411 7.430 1 U 4.02e+06 0 e 0 0 0 0 0
123 131.008 7.029 7.462 1 U 4.33e+06 0 e 0 0 0 0 0
124 131.066 0.912 7.450 1 U 1.13e+07 0 e 0 0 0 0 0
125 131.078 0.901 7.440 1 U 7.3e+06 0 e 0 0 0 0 0
126 132.439 7.445 6.822 1 U 1.36e+07 0 e 0 0 0 0 0
127 132.436 2.935 6.822 1 U 7.34e+06 0 e 0 0 0 0 0
128 132.409 0.773 6.818 1 U 9.13e+06 0 e 0 0 0 0 0
129 132.345 6.816 6.819 1 U 1.34e+08 0 e 0 0 0 0 0
130 132.347 0.514 6.811 1 U 6.2e+06 0 e 0 0 0 0 0
131 132.313 -0.692 6.820 1 U 1.44e+07 0 e 0 0 0 0 0
132 132.232 6.113 6.822 1 U 2.2e+07 0 e 0 0 0 0 0
133 132.251 4.000 6.824 1 U 4.86e+06 0 e 0 0 0 0 0
134 132.250 0.773 6.828 1 U 8.02e+06 0 e 0 0 0 0 0
135 132.272 0.768 6.815 1 U 8.87e+06 0 e 0 0 0 0 0
136 132.283 0.502 6.826 1 U 5.17e+06 0 e 0 0 0 0 0
137 129.358 1.741 6.108 1 U 7.19e+06 0 e 0 0 0 0 0
138 129.152 6.818 6.116 1 U 3.05e+07 0 e 0 0 0 0 0
139 129.199 1.744 6.118 1 U 7.37e+06 0 e 0 0 0 0 0
140 129.034 6.113 6.116 1 U 1.02e+08 0 e 0 0 0 0 0
141 129.059 3.612 6.120 1 U 7.63e+06 0 e 0 0 0 0 0
142 129.079 1.004 6.113 1 U 5.62e+06 0 e 0 0 0 0 0
143 129.109 -0.691 6.110 1 U 7.21e+06 0 e 0 0 0 0 0
144 128.993 7.556 6.121 1 U 6.04e+06 0 e 0 0 0 0 0
145 128.995 0.780 6.115 1 U 1.49e+07 0 e 0 0 0 0 0
146 128.981 0.521 6.116 1 U 6.8e+06 0 e 0 0 0 0 0
147 128.967 -0.703 6.126 1 U 7.22e+06 0 e 0 0 0 0 0
148 120.039 10.964 7.226 1 U -4.2e+06 0 e 0 0 0 0 0
149 119.962 7.220 7.222 1 U 1.37e+09 0 e 0 0 0 0 0
150 114.309 2.861 7.451 1 U 4.52e+06 0 e 0 0 0 0 0
151 114.251 1.184 7.437 1 U 6.97e+06 0 e 0 0 0 0 0
152 114.237 10.561 7.450 1 U 4.9e+06 0 e 0 0 0 0 0
153 114.191 7.435 7.437 1 U 1.27e+08 0 e 0 0 0 0 0
154 114.134 7.017 7.433 1 U 2.06e+07 0 e 0 0 0 0 0
155 114.104 10.577 7.441 1 U 9.14e+06 0 e 0 0 0 0 0
156 114.106 7.016 7.446 1 U 1.38e+07 0 e 0 0 0 0 0
157 114.079 2.859 7.437 1 U 6.3e+06 0 e 0 0 0 0 0
158 125.047 10.577 6.882 1 U 1.26e+07 0 e 0 0 0 0 0
159 125.047 6.879 6.880 1 U 6.42e+07 0 e 0 0 0 0 0
160 124.936 1.917 6.871 1 U 6.32e+06 0 e 0 0 0 0 0
161 123.907 6.865 7.014 1 U 7.14e+06 0 e 0 0 0 0 0
162 123.809 7.441 7.020 1 U 2.44e+07 0 e 0 0 0 0 0
163 123.855 7.022 7.024 1 U 1.7e+08 0 e 0 0 0 0 0
164 123.854 0.964 7.021 1 U 8.33e+06 0 e 0 0 0 0 0
165 123.791 0.909 7.006 1 U 4.29e+06 0 e 0 0 0 0 0
166 123.686 6.452 7.018 1 U 1.79e+07 0 e 0 0 0 0 0
167 123.659 4.779 7.024 1 U 7e+06 0 e 0 0 0 0 0
168 123.694 4.772 7.018 1 U 7.11e+06 0 e 0 0 0 0 0
169 123.544 6.810 7.025 1 U 8.41e+06 0 e 0 0 0 0 0
170 123.559 2.844 7.025 1 U 5.19e+06 0 e 0 0 0 0 0
171 120.550 1.013 6.459 1 U 4.39e+06 0 e 0 0 0 0 0
172 120.376 3.195 6.433 1 U 5.07e+06 0 e 0 0 0 0 0
173 120.261 7.015 6.454 1 U 1.33e+07 0 e 0 0 0 0 0
174 120.278 7.015 6.449 1 U 1.34e+07 0 e 0 0 0 0 0
175 120.268 6.159 6.448 1 U 1.16e+07 0 e 0 0 0 0 0
176 120.351 0.998 6.440 1 U 5.97e+06 0 e 0 0 0 0 0
177 120.246 6.449 6.451 1 U 6.83e+07 0 e 0 0 0 0 0
178 120.227 3.185 6.435 1 U 4.83e+06 0 e 0 0 0 0 0
179 120.256 1.003 6.448 1 U 5.93e+06 0 e 0 0 0 0 0
180 122.923 3.930 6.143 1 U 5.15e+06 0 e 0 0 0 0 0
181 122.788 3.963 6.151 1 U 4.86e+06 0 e 0 0 0 0 0
182 122.697 6.453 6.155 1 U 5.42e+06 0 e 0 0 0 0 0
183 122.588 6.147 6.147 1 U 1.53e+07 0 e 0 0 0 0 0
184 122.482 6.437 6.135 1 U 5.28e+06 0 e 0 0 0 0 0
185 122.490 3.943 6.159 1 U 4.74e+06 0 e 0 0 0 0 0
186 126.890 10.063 6.899 1 U 4.51e+07 0 e 0 0 0 0 0
187 126.915 6.896 6.899 1 U 2.94e+08 0 e 0 0 0 0 0
188 126.825 4.342 6.900 1 U 8.63e+06 0 e 0 0 0 0 0
189 126.893 3.197 6.898 1 U 1.09e+07 0 e 0 0 0 0 0
190 126.876 1.276 6.901 1 U 6.99e+06 0 e 0 0 0 0 0
191 126.717 3.821 6.901 1 U 7.1e+06 0 e 0 0 0 0 0
192 126.801 0.992 6.899 1 U 1.89e+07 0 e 0 0 0 0 0
193 113.646 10.070 7.275 1 U 1.69e+07 0 e 0 0 0 0 0
194 113.653 7.279 7.275 1 U 1.6e+08 0 e 0 0 0 0 0
195 113.603 7.224 7.254 1 U 9.78e+06 0 e 0 0 0 0 0
196 113.623 7.053 7.274 1 U 3.19e+07 0 e 0 0 0 0 0
197 123.266 6.801 7.029 1 U 9.03e+06 0 e 0 0 0 0 0
198 123.105 7.270 7.045 1 U 2.17e+07 0 e 0 0 0 0 0
199 123.194 4.755 7.058 1 U 6.62e+06 0 e 0 0 0 0 0
200 123.166 4.753 7.037 1 U 8.54e+06 0 e 0 0 0 0 0
201 123.065 6.814 7.047 1 U 1.62e+07 0 e 0 0 0 0 0
202 123.058 6.817 7.038 1 U 1.38e+07 0 e 0 0 0 0 0
203 123.065 4.759 7.045 1 U 8e+06 0 e 0 0 0 0 0
204 123.014 4.596 7.045 1 U 1.03e+07 0 e 0 0 0 0 0
205 121.143 7.508 6.815 1 U 2e+07 0 e 0 0 0 0 0
206 121.091 7.046 6.829 1 U 4.35e+06 0 e 0 0 0 0 0
207 121.081 6.815 6.823 1 U 2.5e+07 0 e 0 0 0 0 0
208 120.718 -1.439 6.822 1 U 4.12e+06 0 e 0 0 0 0 0
209 121.035 7.508 7.509 1 U 4.27e+07 0 e 0 0 0 0 0
210 129.000 9.003 7.518 1 U 4.63e+06 0 e 0 0 0 0 0
211 128.907 3.106 7.511 1 U 1.03e+07 0 e 0 0 0 0 0
212 128.799 10.024 7.505 1 U 4.1e+07 0 e 0 0 0 0 0
213 128.816 9.007 7.502 1 U 8.72e+06 0 e 0 0 0 0 0
214 128.834 3.329 7.506 1 U 1.87e+07 0 e 0 0 0 0 0
215 128.839 1.265 7.511 1 U 7.83e+06 0 e 0 0 0 0 0
216 128.781 7.504 7.505 1 U 2.62e+08 0 e 0 0 0 0 0
217 128.715 1.265 7.499 1 U 5.46e+06 0 e 0 0 0 0 0
218 114.799 10.021 7.193 1 U 1.2e+07 0 e 0 0 0 0 0
219 114.795 7.191 7.195 1 U 1.28e+08 0 e 0 0 0 0 0
220 114.814 7.033 7.194 1 U 2.92e+07 0 e 0 0 0 0 0
221 114.775 0.504 7.193 1 U 1.3e+07 0 e 0 0 0 0 0
222 124.202 0.909 7.035 1 U 9.89e+06 0 e 0 0 0 0 0
223 124.117 7.178 7.029 1 U 3.76e+07 0 e 0 0 0 0 0
224 124.117 0.912 7.026 1 U 1.16e+07 0 e 0 0 0 0 0
225 124.187 0.528 7.029 1 U 1.45e+07 0 e 0 0 0 0 0
226 124.031 0.526 7.047 1 U 7.18e+06 0 e 0 0 0 0 0
227 131.195 8.849 7.446 1 U 6.09e+06 0 e 0 0 0 0 0
228 131.078 6.546 7.087 1 U 6.67e+06 0 e 0 0 0 0 0
229 129.090 1.733 6.114 1 U 8.06e+06 0 e 0 0 0 0 0
230 125.052 2.288 6.874 1 U 4.92e+06 0 e 0 0 0 0 0
231 125.067 2.276 6.887 1 U 5.17e+06 0 e 0 0 0 0 0
232 125.058 1.997 6.888 1 U 4.9e+06 0 e 0 0 0 0 0
233 125.057 1.908 6.887 1 U 7.28e+06 0 e 0 0 0 0 0
234 124.990 1.896 6.877 1 U 8.05e+06 0 e 0 0 0 0 0
235 125.201 3.286 6.877 1 U 5.47e+06 0 e 0 0 0 0 0
236 125.115 2.711 6.891 1 U 4.31e+06 0 e 0 0 0 0 0
237 122.898 6.473 6.144 1 U 5.48e+06 0 e 0 0 0 0 0
238 121.176 7.059 6.821 1 U 5.63e+06 0 e 0 0 0 0 0
239 118.560 1.227 6.956 1 U 4.77e+06 0 e 0 0 0 0 0
240 118.517 1.006 6.953 1 U 5.68e+06 0 e 0 0 0 0 0
241 133.345 10.447 6.483 1 U -4.93e+06 0 e 0 0 0 0 0
242 133.212 3.672 6.467 1 U 6.21e+06 0 e 0 0 0 0 0
243 133.214 2.446 6.465 1 U -4.29e+06 0 e 0 0 0 0 0
244 133.091 7.418 6.471 1 U 4.99e+06 0 e 0 0 0 0 0
245 133.104 4.009 6.470 1 U 5.69e+06 0 e 0 0 0 0 0
246 133.152 1.976 6.470 1 U 4.8e+06 0 e 0 0 0 0 0
247 133.075 0.910 6.470 1 U 4.35e+06 0 e 0 0 0 0 0
248 132.997 3.078 6.456 1 U -5.36e+06 0 e 0 0 0 0 0
249 133.055 2.441 6.464 1 U -4.44e+06 0 e 0 0 0 0 0
250 132.879 1.501 7.138 1 U -4.53e+06 0 e 0 0 0 0 0
251 132.806 10.661 7.145 1 U 4.48e+06 0 e 0 0 0 0 0
252 132.807 -0.061 7.138 1 U -4.79e+06 0 e 0 0 0 0 0
253 132.628 7.013 7.150 1 U 5.43e+06 0 e 0 0 0 0 0
254 132.623 2.683 7.168 1 U -4.15e+06 0 e 0 0 0 0 0
255 132.582 7.813 7.157 1 U 5.11e+06 0 e 0 0 0 0 0
256 131.526 1.450 7.235 1 U -4.41e+06 0 e 0 0 0 0 0
257 131.608 1.133 7.252 1 U 4.15e+06 0 e 0 0 0 0 0
258 131.453 6.459 7.248 1 U 4.13e+06 0 e 0 0 0 0 0
259 131.451 4.779 7.250 1 U 4.31e+06 0 e 0 0 0 0 0
260 131.442 2.799 7.255 1 U 4.25e+06 0 e 0 0 0 0 0
261 131.336 6.524 7.247 1 U 5.73e+06 0 e 0 0 0 0 0
262 131.336 1.596 7.250 1 U 4.27e+06 0 e 0 0 0 0 0
263 131.338 1.458 7.232 1 U -4.7e+06 0 e 0 0 0 0 0
264 131.241 7.244 7.247 1 U 3.34e+08 0 e 0 0 0 0 0
265 131.199 2.040 7.250 1 U 6.04e+06 0 e 0 0 0 0 0
266 131.276 0.913 7.249 1 U 7.83e+06 0 e 0 0 0 0 0
267 131.090 2.964 7.241 1 U 7.17e+06 0 e 0 0 0 0 0
268 131.108 2.829 7.243 1 U 4.14e+06 0 e 0 0 0 0 0
269 131.116 2.358 7.242 1 U 4.8e+06 0 e 0 0 0 0 0
270 131.140 1.972 7.251 1 U 5.96e+06 0 e 0 0 0 0 0
271 131.140 0.785 7.249 1 U 1.53e+07 0 e 0 0 0 0 0
272 131.089 0.419 7.244 1 U 1.12e+07 0 e 0 0 0 0 0
273 131.046 7.109 7.248 1 U 9.49e+07 0 e 0 0 0 0 0
274 130.998 2.041 7.225 1 U 5.51e+06 0 e 0 0 0 0 0
275 130.986 2.021 7.240 1 U 6.89e+06 0 e 0 0 0 0 0
276 131.070 1.659 7.243 1 U 4.93e+06 0 e 0 0 0 0 0
277 131.049 0.778 7.245 1 U 1.65e+07 0 e 0 0 0 0 0
278 130.962 6.897 7.247 1 U 1.48e+07 0 e 0 0 0 0 0
279 130.967 2.949 7.241 1 U 7.24e+06 0 e 0 0 0 0 0
280 130.923 1.947 7.247 1 U 5.74e+06 0 e 0 0 0 0 0
281 131.222 2.341 7.099 1 U -4.33e+06 0 e 0 0 0 0 0
282 131.302 1.716 7.091 1 U 4.78e+06 0 e 0 0 0 0 0
283 130.995 4.304 7.095 1 U -4.51e+06 0 e 0 0 0 0 0
284 128.055 3.112 6.900 1 U -4.16e+06 0 e 0 0 0 0 0
285 128.037 1.722 6.889 1 U 7.38e+06 0 e 0 0 0 0 0
286 127.917 7.246 6.900 1 U 4.64e+06 0 e 0 0 0 0 0
287 127.726 7.239 6.903 1 U 4.84e+06 0 e 0 0 0 0 0
288 127.609 6.775 6.910 1 U 4.41e+06 0 e 0 0 0 0 0
289 120.660 -1.455 7.354 1 U 4.45e+06 0 e 0 0 0 0 0
290 120.511 2.607 7.330 1 U 5.12e+06 0 e 0 0 0 0 0
291 120.455 7.439 7.329 1 U -1.11e+07 0 e 0 0 0 0 0
292 120.415 2.347 7.332 1 U -4.91e+06 0 e 0 0 0 0 0
293 120.360 7.511 7.331 1 U -5.01e+06 0 e 0 0 0 0 0
294 120.349 5.272 7.332 1 U 4.08e+06 0 e 0 0 0 0 0
295 120.309 3.671 7.330 1 U 4.13e+06 0 e 0 0 0 0 0
296 133.303 0.757 7.399 1 U 6.1e+06 0 e 0 0 0 0 0
297 133.223 7.515 7.398 1 U -4.18e+06 0 e 0 0 0 0 0
298 133.244 7.264 7.415 1 U 4.9e+06 0 e 0 0 0 0 0
299 133.271 6.703 7.403 1 U 4.47e+06 0 e 0 0 0 0 0
300 133.233 0.973 7.392 1 U -4.06e+06 0 e 0 0 0 0 0
301 133.156 7.722 7.397 1 U 6.63e+06 0 e 0 0 0 0 0
302 133.019 8.241 7.399 1 U 4.66e+06 0 e 0 0 0 0 0
303 133.121 1.849 6.787 1 U 4.79e+06 0 e 0 0 0 0 0
304 132.977 9.021 6.782 1 U 4.54e+06 0 e 0 0 0 0 0
305 132.872 3.196 6.787 1 U -4.21e+06 0 e 0 0 0 0 0
306 132.933 1.084 6.784 1 U 4.36e+06 0 e 0 0 0 0 0
307 132.814 8.498 6.799 1 U 4.36e+06 0 e 0 0 0 0 0
308 117.872 10.786 6.237 1 U 4.04e+06 0 e 0 0 0 0 0
309 120.123 7.154 7.392 1 U 4.05e+06 0 e 0 0 0 0 0
310 120.087 2.002 7.411 1 U -4.37e+06 0 e 0 0 0 0 0
311 119.972 7.491 7.388 1 U -1.94e+07 0 e 0 0 0 0 0
312 119.911 8.664 7.387 1 U 5.89e+06 0 e 0 0 0 0 0
313 119.863 7.668 7.391 1 U -4.63e+06 0 e 0 0 0 0 0
314 119.928 7.161 7.423 1 U 4.76e+06 0 e 0 0 0 0 0
315 119.889 7.064 7.388 1 U 5.3e+06 0 e 0 0 0 0 0
316 119.886 4.601 7.416 1 U -4.3e+06 0 e 0 0 0 0 0
317 119.896 4.444 7.387 1 U 1.37e+07 0 e 0 0 0 0 0
318 119.908 1.418 7.391 1 U 5.64e+06 0 e 0 0 0 0 0
319 119.901 0.762 7.387 1 U 6.62e+06 0 e 0 0 0 0 0
320 118.513 6.717 6.952 1 U 4.83e+06 0 e 0 0 0 0 0
321 118.423 7.064 6.961 1 U -5.48e+06 0 e 0 0 0 0 0
322 118.506 2.262 6.951 1 U 4.64e+06 0 e 0 0 0 0 0
323 118.457 2.097 6.960 1 U -4.2e+06 0 e 0 0 0 0 0
324 118.475 1.727 6.952 1 U 5.5e+06 0 e 0 0 0 0 0
325 118.340 4.952 6.954 1 U 5.41e+06 0 e 0 0 0 0 0
326 133.046 7.092 6.436 1 U 5.81e+06 0 e 0 0 0 0 0
327 133.005 0.468 6.435 1 U 6.4e+06 0 e 0 0 0 0 0
328 132.926 9.079 6.430 1 U 4.95e+06 0 e 0 0 0 0 0
329 132.915 7.092 6.420 1 U 4.35e+06 0 e 0 0 0 0 0
330 132.886 6.712 6.416 1 U -4.43e+06 0 e 0 0 0 0 0
331 132.857 0.988 6.447 1 U 5.2e+06 0 e 0 0 0 0 0
332 132.777 7.235 6.427 1 U 4.84e+06 0 e 0 0 0 0 0
333 132.772 6.119 6.428 1 U 4.19e+06 0 e 0 0 0 0 0
334 132.809 4.972 6.430 1 U 4.04e+06 0 e 0 0 0 0 0
335 132.766 1.377 6.425 1 U 4.6e+06 0 e 0 0 0 0 0
336 132.639 4.748 6.444 1 U 4.22e+06 0 e 0 0 0 0 0
337 117.866 4.762 6.523 1 U 6.66e+06 0 e 0 0 0 0 0
338 117.882 3.904 6.557 1 U 4.52e+06 0 e 0 0 0 0 0
339 117.726 6.652 6.535 1 U -5.1e+06 0 e 0 0 0 0 0
340 117.609 6.647 6.525 1 U -5.22e+06 0 e 0 0 0 0 0
341 117.605 6.311 6.537 1 U 5.05e+06 0 e 0 0 0 0 0
342 131.373 7.032 7.452 1 U 5.54e+06 0 e 0 0 0 0 0
343 131.292 8.295 7.452 1 U 4.98e+06 0 e 0 0 0 0 0
344 131.279 8.290 7.444 1 U 4.17e+06 0 e 0 0 0 0 0
345 131.216 7.038 7.444 1 U 5.59e+06 0 e 0 0 0 0 0
346 131.255 -0.711 7.454 1 U 6.24e+06 0 e 0 0 0 0 0
347 132.428 7.443 6.803 1 U 5.82e+06 0 e 0 0 0 0 0
348 132.409 2.445 6.818 1 U -4.08e+06 0 e 0 0 0 0 0
349 132.357 7.168 6.828 1 U 4.1e+06 0 e 0 0 0 0 0
350 132.382 3.276 6.822 1 U -4.93e+06 0 e 0 0 0 0 0
351 132.384 3.103 6.833 1 U 4.53e+06 0 e 0 0 0 0 0
352 132.179 4.021 6.833 1 U 4.59e+06 0 e 0 0 0 0 0
353 129.351 8.149 6.106 1 U -4.1e+06 0 e 0 0 0 0 0
354 129.363 7.417 6.119 1 U 4.25e+06 0 e 0 0 0 0 0
355 129.302 1.496 6.112 1 U 4.11e+06 0 e 0 0 0 0 0
356 129.107 1.485 6.113 1 U 4.12e+06 0 e 0 0 0 0 0
357 128.981 7.454 6.117 1 U 4.15e+06 0 e 0 0 0 0 0
358 120.215 7.036 7.220 1 U -4.58e+06 0 e 0 0 0 0 0
359 120.057 7.659 7.218 1 U -4.35e+06 0 e 0 0 0 0 0
360 120.064 4.229 7.215 1 U -4.19e+06 0 e 0 0 0 0 0
361 119.990 7.722 7.223 1 U -4.62e+06 0 e 0 0 0 0 0
362 119.961 7.321 7.222 1 U -7e+07 0 e 0 0 0 0 0
363 119.938 3.189 7.224 1 U 5.04e+06 0 e 0 0 0 0 0
364 119.886 7.688 7.220 1 U -4.92e+06 0 e 0 0 0 0 0
365 119.848 7.555 7.222 1 U -6.76e+06 0 e 0 0 0 0 0
366 119.908 7.487 7.223 1 U -9.69e+06 0 e 0 0 0 0 0
367 119.892 7.407 7.221 1 U -1.86e+07 0 e 0 0 0 0 0
368 119.846 7.114 7.256 1 U 1.55e+07 0 e 0 0 0 0 0
369 119.914 7.114 7.221 1 U -3.32e+07 0 e 0 0 0 0 0
370 119.890 6.989 7.225 1 U 7.33e+06 0 e 0 0 0 0 0
371 119.920 6.917 7.225 1 U 5.04e+06 0 e 0 0 0 0 0
372 119.920 7.845 7.262 1 U -4.71e+06 0 e 0 0 0 0 0
373 119.853 7.622 7.261 1 U -4.28e+06 0 e 0 0 0 0 0
374 119.810 7.697 7.254 1 U -5.04e+06 0 e 0 0 0 0 0
375 119.639 7.524 7.255 1 U -1.1e+07 0 e 0 0 0 0 0
376 119.615 7.438 7.256 1 U -2.08e+07 0 e 0 0 0 0 0
377 119.633 7.356 7.256 1 U -7.55e+07 0 e 0 0 0 0 0
378 119.670 7.255 7.256 1 U 1.43e+09 0 e 0 0 0 0 0
379 119.669 7.021 7.258 1 U 4.2e+06 0 e 0 0 0 0 0
380 114.152 10.578 7.427 1 U 8.31e+06 0 e 0 0 0 0 0
381 114.152 2.570 7.440 1 U -4.06e+06 0 e 0 0 0 0 0
382 114.045 6.757 7.423 1 U 4.88e+06 0 e 0 0 0 0 0
383 114.012 0.688 7.438 1 U 4.8e+06 0 e 0 0 0 0 0
384 113.936 -0.315 7.438 1 U 4.32e+06 0 e 0 0 0 0 0
385 125.199 7.810 6.874 1 U -4.31e+06 0 e 0 0 0 0 0
386 125.122 7.852 6.895 1 U 4.37e+06 0 e 0 0 0 0 0
387 125.089 2.710 6.879 1 U 6.65e+06 0 e 0 0 0 0 0
388 125.087 2.719 6.874 1 U 6.73e+06 0 e 0 0 0 0 0
389 123.811 3.228 7.010 1 U 4.06e+06 0 e 0 0 0 0 0
390 120.510 10.654 6.432 1 U 4.09e+06 0 e 0 0 0 0 0
391 120.148 1.956 6.447 1 U 4.35e+06 0 e 0 0 0 0 0
392 120.042 1.006 6.468 1 U 5.46e+06 0 e 0 0 0 0 0
393 120.054 -0.473 6.444 1 U -4.71e+06 0 e 0 0 0 0 0
394 122.914 5.537 6.144 1 U 4.27e+06 0 e 0 0 0 0 0
395 122.585 6.431 6.166 1 U 4.23e+06 0 e 0 0 0 0 0
396 122.525 3.945 6.135 1 U 5.06e+06 0 e 0 0 0 0 0
397 122.554 1.976 6.163 1 U 4.2e+06 0 e 0 0 0 0 0
398 127.056 6.754 6.909 1 U 5.05e+06 0 e 0 0 0 0 0
399 127.138 6.746 6.897 1 U 4.61e+06 0 e 0 0 0 0 0
400 126.902 2.807 6.892 1 U 4.11e+06 0 e 0 0 0 0 0
401 126.788 9.042 6.892 1 U 4.51e+06 0 e 0 0 0 0 0
402 126.765 7.002 6.903 1 U -5.12e+06 0 e 0 0 0 0 0
403 113.851 10.776 7.294 1 U -4.57e+06 0 e 0 0 0 0 0
404 113.748 6.895 7.281 1 U 4.32e+06 0 e 0 0 0 0 0
405 113.761 4.267 7.286 1 U 4.36e+06 0 e 0 0 0 0 0
406 113.776 2.146 7.255 1 U -9.75e+06 0 e 0 0 0 0 0
407 113.725 2.047 7.276 1 U 5.43e+06 0 e 0 0 0 0 0
408 113.650 3.475 7.267 1 U 6.89e+06 0 e 0 0 0 0 0
409 113.634 3.371 7.286 1 U -4.51e+06 0 e 0 0 0 0 0
410 113.486 6.895 7.281 1 U 4.35e+06 0 e 0 0 0 0 0
411 123.174 5.148 7.070 1 U -4.27e+06 0 e 0 0 0 0 0
412 123.026 -0.652 7.063 1 U -4e+06 0 e 0 0 0 0 0
413 121.078 4.733 6.829 1 U 4.26e+06 0 e 0 0 0 0 0
414 120.810 2.983 6.833 1 U 4.25e+06 0 e 0 0 0 0 0
415 121.261 3.403 7.494 1 U -4.18e+06 0 e 0 0 0 0 0
416 128.913 2.801 7.506 1 U 4.11e+06 0 e 0 0 0 0 0
417 128.913 1.387 7.505 1 U -4.07e+06 0 e 0 0 0 0 0
418 128.779 7.613 7.504 1 U -6.26e+06 0 e 0 0 0 0 0
419 128.732 7.358 7.503 1 U 4.24e+06 0 e 0 0 0 0 0
420 128.761 2.779 7.502 1 U 4.13e+06 0 e 0 0 0 0 0
421 128.709 -0.162 7.508 1 U 5.72e+06 0 e 0 0 0 0 0
422 128.770 -0.158 7.497 1 U 4.02e+06 0 e 0 0 0 0 0
423 128.612 7.179 7.508 1 U 5.46e+06 0 e 0 0 0 0 0
424 128.678 6.770 7.493 1 U -4.24e+06 0 e 0 0 0 0 0
425 128.648 5.043 7.505 1 U 4.6e+06 0 e 0 0 0 0 0
426 128.637 3.518 7.504 1 U -4.17e+06 0 e 0 0 0 0 0
427 114.944 1.474 7.200 1 U 4.48e+06 0 e 0 0 0 0 0
428 114.846 4.677 7.189 1 U -4.63e+06 0 e 0 0 0 0 0
429 114.773 6.821 7.192 1 U 4.58e+06 0 e 0 0 0 0 0
430 114.716 6.297 7.181 1 U 4.01e+06 0 e 0 0 0 0 0
431 114.721 3.494 7.188 1 U -4.09e+06 0 e 0 0 0 0 0
432 114.684 3.184 7.177 1 U 4.45e+06 0 e 0 0 0 0 0
433 114.679 0.939 7.188 1 U 4.86e+06 0 e 0 0 0 0 0
434 114.767 0.864 7.196 1 U 4.26e+06 0 e 0 0 0 0 0
435 114.760 -1.253 7.205 1 U 4.35e+06 0 e 0 0 0 0 0
436 114.737 -1.493 7.205 1 U 4.27e+06 0 e 0 0 0 0 0
437 124.207 -0.682 7.036 1 U 4.56e+06 0 e 0 0 0 0 0
438 124.164 -0.073 7.013 1 U -4.75e+06 0 e 0 0 0 0 0
439 123.982 2.279 7.036 1 U -4.71e+06 0 e 0 0 0 0 0
440 123.993 -0.669 7.037 1 U 4.33e+06 0 e 0 0 0 0 0
441 129.461 3.713 7.138 1 U -4.53e+06 0 e 0 0 0 0 0
442 129.458 2.357 7.133 1 U 4.43e+06 0 e 0 0 0 0 0
443 129.395 7.015 7.146 1 U 4.1e+06 0 e 0 0 0 0 0
444 129.394 2.035 7.152 1 U 7.47e+06 0 e 0 0 0 0 0
445 129.366 0.405 7.148 1 U 4.29e+06 0 e 0 0 0 0 0
446 129.285 8.319 7.150 1 U 4.77e+06 0 e 0 0 0 0 0
447 129.252 7.155 7.153 1 U 8.29e+07 0 e 0 0 0 0 0
448 129.323 2.392 7.156 1 U 4.98e+06 0 e 0 0 0 0 0
449 129.319 2.391 7.150 1 U 5.73e+06 0 e 0 0 0 0 0
450 129.336 2.034 7.164 1 U 5.97e+06 0 e 0 0 0 0 0
451 129.171 1.262 7.158 1 U -4.18e+06 0 e 0 0 0 0 0
452 119.031 3.511 6.857 1 U -4.13e+06 0 e 0 0 0 0 0
453 118.838 6.709 6.858 1 U 6.74e+06 0 e 0 0 0 0 0
454 118.908 6.717 6.841 1 U 4.52e+06 0 e 0 0 0 0 0
455 118.908 6.603 6.849 1 U 4.51e+06 0 e 0 0 0 0 0
456 118.892 4.124 6.849 1 U -4.57e+06 0 e 0 0 0 0 0
457 118.836 3.342 6.861 1 U 4.81e+06 0 e 0 0 0 0 0
458 118.904 1.965 6.861 1 U 6.35e+06 0 e 0 0 0 0 0
459 118.873 1.683 6.860 1 U 7.14e+06 0 e 0 0 0 0 0
460 118.735 6.851 6.852 1 U 3.8e+08 0 e 0 0 0 0 0
461 118.757 6.466 6.853 1 U 6.37e+07 0 e 0 0 0 0 0
462 118.779 4.773 6.853 1 U 1.71e+07 0 e 0 0 0 0 0
463 118.762 3.519 6.857 1 U -4.4e+06 0 e 0 0 0 0 0
464 118.784 2.269 6.850 1 U 9.41e+06 0 e 0 0 0 0 0
465 118.801 1.806 6.867 1 U 4.3e+06 0 e 0 0 0 0 0
466 118.732 1.792 6.854 1 U 5.07e+06 0 e 0 0 0 0 0
467 118.745 1.697 6.853 1 U 7.84e+06 0 e 0 0 0 0 0
468 118.787 0.647 6.855 1 U 1.26e+07 0 e 0 0 0 0 0
469 118.725 8.369 6.834 1 U -4.6e+06 0 e 0 0 0 0 0
470 118.663 6.989 6.853 1 U 6.02e+06 0 e 0 0 0 0 0
471 118.703 4.280 6.839 1 U -4.67e+06 0 e 0 0 0 0 0
472 118.670 3.335 6.864 1 U 5.18e+06 0 e 0 0 0 0 0
473 118.709 3.328 6.849 1 U 7.63e+06 0 e 0 0 0 0 0
474 118.712 1.950 6.852 1 U 5.68e+06 0 e 0 0 0 0 0
475 118.721 0.796 6.857 1 U 1.03e+07 0 e 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 . . C 13 C-aromatic . . 12 ppm . . . 128 . . 30303 3
2 . . H 1 H-aromatic . . 12 ppm . . . 8 . . 30303 3
3 . . H 1 H . . 12 ppm . . . 4.8 . . 30303 3
stop_
save_