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 30204
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 3
_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 H
# INAME 2 h
# INAME 3 C
# CYANAFORMAT HhC
1 3.486 8.031 49.813 1 U 6.36e+04 0 e 0 0 0 0
2 3.487 3.702 49.948 1 U 1.74e+06 0 e 0 0 0 0
3 3.694 3.491 49.945 1 U 2.44e+06 0 e 0 0 0 0
4 3.694 2.040 49.941 1 U 3.87e+05 0 e 0 0 0 0
5 3.487 2.052 49.946 1 U 2.9e+05 0 e 0 0 0 0
6 3.489 2.271 49.916 1 U 9.47e+04 0 e 0 0 0 0
7 4.464 7.598 63.698 1 U 2.94e+05 0 e 0 0 0 0
8 4.464 2.276 63.697 1 U 2.46e+05 0 e 0 0 0 0
9 4.463 2.028 63.704 1 U 1.57e+05 0 e 0 0 0 0
10 4.463 0.959 63.692 1 U 1.89e+05 0 e 0 0 0 0
11 2.272 0.950 31.146 1 U 6.18e+04 0 e 0 0 0 0
12 2.271 2.027 31.104 1 U 2.35e+06 0 e 0 0 0 0
13 2.272 3.497 31.093 1 U 7.23e+04 0 e 0 0 0 0
14 2.005 3.492 31.057 1 U 6.71e+04 0 e 0 0 0 0
15 2.005 3.709 31.116 1 U 8.19e+04 0 e 0 0 0 0
16 2.008 4.468 31.087 1 U 1e+05 0 e 0 0 0 0
17 2.272 4.464 31.113 1 U 1.62e+05 0 e 0 0 0 0
18 1.994 5.563 30.999 1 U 1.04e+05 0 e 0 0 0 0
19 2.007 2.276 31.099 1 U 2.01e+06 0 e 0 0 0 0
20 2.055 3.489 27.272 1 U 1.61e+05 0 e 0 0 0 0
21 2.026 3.489 27.258 1 U 1.7e+05 0 e 0 0 0 0
22 2.025 3.702 27.260 1 U 1.45e+05 0 e 0 0 0 0
23 2.054 3.701 27.259 1 U 1.8e+05 0 e 0 0 0 0
24 2.025 2.274 27.253 1 U 5.84e+05 0 e 0 0 0 0
25 2.054 2.280 27.292 1 U 6.29e+05 0 e 0 0 0 0
26 3.782 7.667 64.184 1 U 1.65e+05 0 e 0 0 0 0
27 3.783 7.922 64.197 1 U 1.04e+05 0 e 0 0 0 0
28 3.784 8.211 64.184 1 U 9.47e+04 0 e 0 0 0 0
29 3.781 2.269 64.188 1 U 1.36e+05 0 e 0 0 0 0
30 3.784 2.151 64.198 1 U 9.3e+04 0 e 0 0 0 0
31 3.783 1.716 64.186 1 U 1.45e+05 0 e 0 0 0 0
32 3.783 1.091 64.203 1 U 2.35e+05 0 e 0 0 0 0
33 3.782 0.882 64.206 1 U 3.35e+05 0 e 0 0 0 0
34 1.912 8.200 37.667 1 U 1.62e+05 0 e 0 0 0 0
35 1.913 7.668 37.662 1 U 3.33e+05 0 e 0 0 0 0
36 1.913 4.460 37.643 1 U 1.12e+05 0 e 0 0 0 0
37 1.910 1.715 37.660 1 U 3.1e+05 0 e 0 0 0 0
38 1.912 0.882 37.667 1 U 5.41e+05 0 e 0 0 0 0
39 1.906 1.097 37.705 1 U 6.65e+04 0 e 0 0 0 0
40 1.707 0.854 28.404 1 U 4.4e+05 0 e 0 0 0 0
41 1.707 1.089 28.398 1 U 1.67e+06 0 e 0 0 0 0
42 1.705 3.792 28.380 1 U 1.02e+05 0 e 0 0 0 0
43 1.708 7.666 28.399 1 U 2.77e+05 0 e 0 0 0 0
44 1.078 7.670 28.399 1 U 1e+05 0 e 0 0 0 0
45 1.079 3.790 28.397 1 U 1.42e+05 0 e 0 0 0 0
46 1.082 1.909 28.386 1 U 1.08e+05 0 e 0 0 0 0
47 1.080 1.716 28.400 1 U 1.51e+06 0 e 0 0 0 0
48 1.080 0.855 28.405 1 U 5.64e+05 0 e 0 0 0 0
49 0.872 8.201 18.610 1 U 1.25e+05 0 e 0 0 0 0
50 0.869 7.672 18.575 1 U 6.59e+04 0 e 0 0 0 0
51 0.873 4.080 18.613 1 U 1.76e+05 0 e 0 0 0 0
52 0.873 3.790 18.618 1 U 2.88e+05 0 e 0 0 0 0
53 0.873 1.918 18.617 1 U 7.9e+05 0 e 0 0 0 0
54 0.829 7.666 13.807 1 U 6.1e+04 0 e 0 0 0 0
55 0.832 4.461 13.777 1 U 1.44e+05 0 e 0 0 0 0
56 0.833 4.080 13.805 1 U 8.08e+04 0 e 0 0 0 0
57 0.829 3.794 13.758 1 U 9.55e+04 0 e 0 0 0 0
58 0.829 3.295 13.788 1 U 6.27e+04 0 e 0 0 0 0
59 0.830 3.182 13.785 1 U 1.29e+05 0 e 0 0 0 0
60 0.829 2.046 13.743 1 U 1.41e+05 0 e 0 0 0 0
61 0.831 1.915 13.788 1 U 4.47e+05 0 e 0 0 0 0
62 0.832 1.711 13.780 1 U 5.47e+05 0 e 0 0 0 0
63 0.831 1.077 13.777 1 U 7.96e+05 0 e 0 0 0 0
64 0.895 3.867 12.619 1 U 2.14e+05 0 e 0 0 0 0
65 0.890 1.645 12.603 1 U 2.67e+05 0 e 0 0 0 0
66 0.896 1.952 12.583 1 U 2.48e+05 0 e 0 0 0 0
67 0.895 2.145 12.637 1 U 1.36e+05 0 e 0 0 0 0
68 0.896 1.275 12.624 1 U 4.14e+05 0 e 0 0 0 0
69 0.955 3.871 18.685 1 U 2.54e+05 0 e 0 0 0 0
70 0.960 4.042 18.692 1 U 1.3e+05 0 e 0 0 0 0
71 0.956 1.950 18.683 1 U 6.59e+05 0 e 0 0 0 0
72 0.956 1.640 18.674 1 U 4.26e+05 0 e 0 0 0 0
73 0.960 7.948 18.692 1 U 8.15e+04 0 e 0 0 0 0
74 0.957 8.256 18.675 1 U 1.55e+05 0 e 0 0 0 0
75 1.945 8.260 37.079 1 U 2.91e+05 0 e 0 0 0 0
76 1.944 7.943 37.092 1 U 1.38e+05 0 e 0 0 0 0
77 1.946 7.596 37.046 1 U 5.22e+04 0 e 0 0 0 0
78 1.941 3.866 37.049 1 U 7.55e+04 0 e 0 0 0 0
79 1.945 1.656 37.076 1 U 1.86e+05 0 e 0 0 0 0
80 1.947 1.296 37.078 1 U 8.63e+04 0 e 0 0 0 0
81 1.944 0.961 37.079 1 U 4.64e+05 0 e 0 0 0 0
82 1.638 8.259 28.489 1 U 1.59e+05 0 e 0 0 0 0
83 1.283 8.259 28.476 1 U 1.2e+05 0 e 0 0 0 0
84 1.284 3.867 28.456 1 U 9.25e+04 0 e 0 0 0 0
85 1.633 3.869 28.466 1 U 7.43e+04 0 e 0 0 0 0
86 1.641 1.947 28.453 1 U 1.81e+05 0 e 0 0 0 0
87 1.283 1.953 28.463 1 U 9.83e+04 0 e 0 0 0 0
88 1.284 1.644 28.479 1 U 1.6e+06 0 e 0 0 0 0
89 1.283 0.934 28.505 1 U 2.15e+05 0 e 0 0 0 0
90 1.638 0.937 28.485 1 U 2.07e+05 0 e 0 0 0 0
91 1.638 1.291 28.478 1 U 1.73e+06 0 e 0 0 0 0
92 3.860 8.260 63.214 1 U 1.79e+05 0 e 0 0 0 0
93 3.861 7.940 63.254 1 U 8.77e+04 0 e 0 0 0 0
94 3.860 7.783 63.198 1 U 9.74e+04 0 e 0 0 0 0
95 3.861 2.040 63.199 1 U 1.51e+05 0 e 0 0 0 0
96 3.861 1.931 63.198 1 U 1.09e+05 0 e 0 0 0 0
97 3.861 1.670 63.212 1 U 1.93e+05 0 e 0 0 0 0
98 3.859 1.290 63.221 1 U 1.51e+05 0 e 0 0 0 0
99 3.860 0.954 63.223 1 U 2.47e+05 0 e 0 0 0 0
100 4.147 8.810 51.751 1 U 2.48e+05 0 e 0 0 0 0
101 4.146 1.580 51.742 1 U 6.36e+05 0 e 0 0 0 0
102 1.572 8.809 19.374 1 U 9.35e+04 0 e 0 0 0 0
103 1.571 4.150 19.359 1 U 8.96e+05 0 e 0 0 0 0
104 1.398 7.904 19.738 1 U 2.64e+05 0 e 0 0 0 0
105 1.397 4.144 19.735 1 U 4.9e+05 0 e 0 0 0 0
106 4.141 7.904 53.946 1 U 1e+05 0 e 0 0 0 0
107 4.139 1.407 53.925 1 U 3.03e+05 0 e 0 0 0 0
108 4.500 8.261 57.866 1 U 1.21e+05 0 e 0 0 0 0
109 4.506 7.838 57.826 1 U 6.39e+04 0 e 0 0 0 0
110 4.502 3.304 57.864 1 U 9.12e+04 0 e 0 0 0 0
111 4.504 3.191 57.821 1 U 8.09e+04 0 e 0 0 0 0
112 3.298 7.841 41.588 1 U 1.69e+05 0 e 0 0 0 0
113 3.294 8.262 41.604 1 U 6.54e+04 0 e 0 0 0 0
114 3.297 4.506 41.587 1 U 1.18e+05 0 e 0 0 0 0
115 3.298 4.083 41.614 1 U 1e+05 0 e 0 0 0 0
116 3.296 3.185 41.581 1 U 2.76e+06 0 e 0 0 0 0
117 3.296 0.857 41.597 1 U 9.74e+04 0 e 0 0 0 0
118 3.297 0.922 41.588 1 U 4.91e+04 0 e 0 0 0 0
119 3.180 0.928 41.541 1 U 5.18e+04 0 e 0 0 0 0
120 3.183 0.853 41.576 1 U 8.64e+04 0 e 0 0 0 0
121 3.181 3.303 41.576 1 U 2.29e+06 0 e 0 0 0 0
122 3.180 4.089 41.588 1 U 6.87e+04 0 e 0 0 0 0
123 3.180 4.506 41.583 1 U 1.15e+05 0 e 0 0 0 0
124 3.179 7.837 41.594 1 U 1.75e+05 0 e 0 0 0 0
125 3.179 8.266 41.625 1 U 4.62e+04 0 e 0 0 0 0
126 3.132 8.459 39.224 1 U 6.48e+04 0 e 0 0 0 0
127 3.130 4.461 39.234 1 U 1.39e+05 0 e 0 0 0 0
128 3.131 8.643 39.194 1 U 9.94e+04 0 e 0 0 0 0
129 3.003 8.643 39.231 1 U 1.71e+05 0 e 0 0 0 0
130 3.006 8.460 39.194 1 U 5.47e+04 0 e 0 0 0 0
131 3.001 4.459 39.211 1 U 1.24e+05 0 e 0 0 0 0
132 3.002 3.135 39.225 1 U 2.46e+06 0 e 0 0 0 0
133 3.130 3.009 39.228 1 U 3.13e+06 0 e 0 0 0 0
134 3.134 0.932 39.194 1 U 7.77e+04 0 e 0 0 0 0
135 4.456 0.850 57.074 1 U 8.61e+04 0 e 0 0 0 0
136 4.450 1.921 57.102 1 U 1.59e+05 0 e 0 0 0 0
137 4.455 3.002 57.102 1 U 1.02e+05 0 e 0 0 0 0
138 4.455 3.139 57.102 1 U 1.51e+05 0 e 0 0 0 0
139 4.459 7.662 57.102 1 U 6.42e+04 0 e 0 0 0 0
140 4.457 8.455 57.102 1 U 6.53e+04 0 e 0 0 0 0
141 4.454 8.646 57.075 1 U 1.12e+05 0 e 0 0 0 0
142 2.981 8.735 39.812 1 U 8.06e+04 0 e 0 0 0 0
143 2.984 7.614 39.820 1 U 1.52e+05 0 e 0 0 0 0
144 2.988 2.911 39.825 1 U 4.41e+06 0 e 0 0 0 0
145 2.904 2.996 39.813 1 U 4.04e+06 0 e 0 0 0 0
146 2.906 7.613 39.829 1 U 1.47e+05 0 e 0 0 0 0
147 2.901 8.733 39.830 1 U 9.75e+04 0 e 0 0 0 0
148 2.854 8.650 40.694 1 U 1.99e+05 0 e 0 0 0 0
149 2.754 8.650 40.716 1 U 1.81e+05 0 e 0 0 0 0
150 2.752 2.856 40.707 1 U 3.83e+06 0 e 0 0 0 0
151 2.853 2.760 40.711 1 U 4.03e+06 0 e 0 0 0 0
152 2.854 1.938 40.700 1 U 3.74e+04 0 e 0 0 0 0
153 2.754 1.938 40.700 1 U 4.54e+04 0 e 0 0 0 0
154 2.827 8.009 39.286 1 U 7.39e+04 0 e 0 0 0 0
155 2.834 7.716 39.335 1 U 9.83e+04 0 e 0 0 0 0
156 2.831 2.672 39.326 1 U 2.81e+06 0 e 0 0 0 0
157 2.667 2.840 39.332 1 U 2.58e+06 0 e 0 0 0 0
158 2.669 7.717 39.347 1 U 9.31e+04 0 e 0 0 0 0
159 2.668 8.014 39.311 1 U 6.81e+04 0 e 0 0 0 0
160 2.667 5.047 39.336 1 U 3.99e+04 0 e 0 0 0 0
161 2.830 5.048 39.305 1 U 4.66e+04 0 e 0 0 0 0
162 2.681 8.736 40.868 1 U 3.16e+05 0 e 0 0 0 0
163 2.682 4.401 40.824 1 U 1.92e+05 0 e 0 0 0 0
164 2.681 8.417 40.842 1 U 1.38e+05 0 e 0 0 0 0
165 4.402 8.414 57.119 1 U 1.04e+05 0 e 0 0 0 0
166 4.399 2.690 57.120 1 U 2.1e+05 0 e 0 0 0 0
167 4.399 1.944 57.095 1 U 1.83e+05 0 e 0 0 0 0
168 4.400 8.743 57.114 1 U 9.47e+04 0 e 0 0 0 0
169 5.045 2.667 51.103 1 U 5.75e+04 0 e 0 0 0 0
170 5.045 3.704 51.121 1 U 9.28e+04 0 e 0 0 0 0
171 4.022 8.247 56.949 1 U 1.34e+05 0 e 0 0 0 0
172 4.019 7.676 56.920 1 U 6.49e+04 0 e 0 0 0 0
173 4.021 1.875 56.929 1 U 1.32e+05 0 e 0 0 0 0
174 4.021 1.611 56.913 1 U 2.55e+05 0 e 0 0 0 0
175 4.023 0.949 56.915 1 U 3.43e+05 0 e 0 0 0 0
176 4.078 8.188 57.169 1 U 1.68e+05 0 e 0 0 0 0
177 4.076 7.834 57.199 1 U 5.6e+04 0 e 0 0 0 0
178 4.078 7.970 57.196 1 U 6.65e+04 0 e 0 0 0 0
179 4.079 1.948 57.173 1 U 1.4e+05 0 e 0 0 0 0
180 4.075 1.637 57.196 1 U 7.79e+04 0 e 0 0 0 0
181 4.077 1.556 57.166 1 U 2.53e+05 0 e 0 0 0 0
182 4.077 0.918 57.160 1 U 4.22e+05 0 e 0 0 0 0
183 4.075 1.637 57.126 1 U 7.79e+04 0 e 0 0 0 0
184 1.870 8.243 41.813 1 U 1.61e+05 0 e 0 0 0 0
185 1.870 7.678 41.845 1 U 9.5e+04 0 e 0 0 0 0
186 1.869 4.028 41.802 1 U 1.5e+05 0 e 0 0 0 0
187 1.871 3.865 41.802 1 U 8.61e+04 0 e 0 0 0 0
188 1.868 1.609 41.785 1 U 1.88e+06 0 e 0 0 0 0
189 1.870 0.939 41.802 1 U 2.93e+05 0 e 0 0 0 0
190 1.600 0.945 41.815 1 U 3.46e+05 0 e 0 0 0 0
191 1.600 1.876 41.785 1 U 1.96e+06 0 e 0 0 0 0
192 1.607 3.862 41.803 1 U 6.78e+04 0 e 0 0 0 0
193 1.598 4.030 41.809 1 U 1.54e+05 0 e 0 0 0 0
194 1.599 8.245 41.789 1 U 2.51e+05 0 e 0 0 0 0
195 1.599 7.681 41.800 1 U 5.07e+04 0 e 0 0 0 0
196 1.944 8.187 41.314 1 U 2.02e+05 0 e 0 0 0 0
197 1.943 7.975 41.299 1 U 1.34e+05 0 e 0 0 0 0
198 1.941 4.091 41.331 1 U 1.21e+05 0 e 0 0 0 0
199 1.942 3.910 41.325 1 U 8.08e+04 0 e 0 0 0 0
200 1.942 1.555 41.316 1 U 1.87e+06 0 e 0 0 0 0
201 1.942 0.906 41.310 1 U 3.51e+05 0 e 0 0 0 0
202 1.543 0.908 41.304 1 U 4.2e+05 0 e 0 0 0 0
203 1.543 1.950 41.313 1 U 1.88e+06 0 e 0 0 0 0
204 1.543 3.897 41.308 1 U 5.6e+04 0 e 0 0 0 0
205 1.545 4.072 41.331 1 U 1.72e+05 0 e 0 0 0 0
206 1.543 7.973 41.336 1 U 5.99e+04 0 e 0 0 0 0
207 1.544 8.187 41.329 1 U 2.25e+05 0 e 0 0 0 0
208 1.686 8.244 26.815 1 U 7.48e+04 0 e 0 0 0 0
209 1.682 4.020 26.792 1 U 7.43e+04 0 e 0 0 0 0
210 1.683 1.875 26.813 1 U 7.02e+05 0 e 0 0 0 0
211 1.649 8.193 26.735 1 U 6.09e+04 0 e 0 0 0 0
212 1.653 4.069 26.698 1 U 5.71e+04 0 e 0 0 0 0
213 1.651 1.950 26.698 1 U 2.28e+05 0 e 0 0 0 0
214 0.948 7.596 25.436 1 U 7.36e+04 0 e 0 0 0 0
215 0.948 7.941 25.398 1 U 6.97e+04 0 e 0 0 0 0
216 0.948 8.249 25.398 1 U 5.64e+04 0 e 0 0 0 0
217 0.950 4.463 25.440 1 U 1.06e+05 0 e 0 0 0 0
218 0.950 4.040 25.398 1 U 1.81e+05 0 e 0 0 0 0
219 0.950 3.903 25.398 1 U 1.37e+05 0 e 0 0 0 0
220 0.952 1.955 25.398 1 U 2.08e+05 0 e 0 0 0 0
221 0.893 4.078 25.728 1 U 7.89e+04 0 e 0 0 0 0
222 0.893 3.873 25.700 1 U 9.27e+04 0 e 0 0 0 0
223 0.891 1.940 25.731 1 U 2.33e+05 0 e 0 0 0 0
224 0.916 4.025 25.617 1 U 1.39e+05 0 e 0 0 0 0
225 0.916 3.898 25.641 1 U 1.02e+05 0 e 0 0 0 0
226 0.921 7.950 25.622 1 U 5.73e+04 0 e 0 0 0 0
227 0.913 1.918 25.624 1 U 1.68e+05 0 e 0 0 0 0
228 0.926 4.080 24.551 1 U 3.5e+05 0 e 0 0 0 0
229 0.925 3.876 24.546 1 U 1.18e+05 0 e 0 0 0 0
230 0.925 8.198 24.586 1 U 6.89e+04 0 e 0 0 0 0
231 0.925 3.145 24.544 1 U 1.73e+05 0 e 0 0 0 0
232 0.925 3.309 24.543 1 U 8.35e+04 0 e 0 0 0 0
233 0.924 3.002 24.573 1 U 7.5e+04 0 e 0 0 0 0
234 0.925 1.922 24.554 1 U 4.8e+05 0 e 0 0 0 0
235 0.927 1.571 24.586 1 U 3.14e+05 0 e 0 0 0 0
236 3.858 8.214 60.119 1 U 1.94e+05 0 e 0 0 0 0
237 3.855 7.943 60.077 1 U 8.27e+04 0 e 0 0 0 0
238 3.859 1.909 60.126 1 U 4.09e+05 0 e 0 0 0 0
239 3.859 1.750 60.114 1 U 1.36e+05 0 e 0 0 0 0
240 3.858 1.601 60.118 1 U 2.51e+05 0 e 0 0 0 0
241 3.858 0.916 60.139 1 U 2.06e+05 0 e 0 0 0 0
242 1.909 8.204 29.857 1 U 2.81e+05 0 e 0 0 0 0
243 1.908 0.925 29.886 1 U 1.25e+05 0 e 0 0 0 0
244 1.908 4.086 29.886 1 U 1.15e+05 0 e 0 0 0 0
245 1.908 3.861 29.886 1 U 1.67e+05 0 e 0 0 0 0
246 1.908 3.225 29.886 1 U 2.2e+05 0 e 0 0 0 0
247 1.923 7.916 29.792 1 U 4.58e+05 0 e 0 0 0 0
248 1.923 7.667 29.792 1 U 1.86e+05 0 e 0 0 0 0
249 1.925 4.030 29.792 1 U 2.56e+05 0 e 0 0 0 0
250 1.924 3.242 29.792 1 U 3.07e+05 0 e 0 0 0 0
251 1.922 2.870 29.792 1 U 7.24e+04 0 e 0 0 0 0
252 3.900 7.940 59.984 1 U 1.82e+05 0 e 0 0 0 0
253 3.903 8.203 60.008 1 U 6.42e+04 0 e 0 0 0 0
254 3.902 1.940 59.976 1 U 4.11e+05 0 e 0 0 0 0
255 3.901 0.939 60.025 1 U 3.02e+05 0 e 0 0 0 0
256 3.901 1.525 59.987 1 U 1.45e+05 0 e 0 0 0 0
257 3.899 1.678 59.962 1 U 7.72e+04 0 e 0 0 0 0
258 3.904 1.451 60.008 1 U 8.29e+04 0 e 0 0 0 0
259 1.740 8.200 28.317 1 U 6.02e+04 0 e 0 0 0 0
260 1.738 3.865 28.248 1 U 8.98e+04 0 e 0 0 0 0
261 1.740 3.213 28.273 1 U 1.48e+05 0 e 0 0 0 0
262 1.737 1.913 28.294 1 U 1.2e+06 0 e 0 0 0 0
263 1.737 1.596 28.285 1 U 1.39e+06 0 e 0 0 0 0
264 1.584 1.742 28.275 1 U 1.08e+06 0 e 0 0 0 0
265 1.584 3.219 28.273 1 U 1.91e+05 0 e 0 0 0 0
266 1.583 3.861 28.292 1 U 6.1e+04 0 e 0 0 0 0
267 1.583 1.921 28.292 1 U 4.48e+05 0 e 0 0 0 0
268 4.033 7.913 59.089 1 U 2.16e+05 0 e 0 0 0 0
269 4.035 7.669 59.102 1 U 5.99e+04 0 e 0 0 0 0
270 4.039 1.931 59.080 1 U 4.8e+05 0 e 0 0 0 0
271 4.039 1.730 59.102 1 U 1.16e+05 0 e 0 0 0 0
272 4.039 1.637 59.102 1 U 1.45e+05 0 e 0 0 0 0
273 1.618 7.914 27.417 1 U 4.43e+04 0 e 0 0 0 0
274 1.733 7.906 27.392 1 U 4.94e+04 0 e 0 0 0 0
275 1.624 4.033 27.353 1 U 7.32e+04 0 e 0 0 0 0
276 1.736 4.035 27.392 1 U 4.43e+04 0 e 0 0 0 0
277 1.732 3.245 27.361 1 U 1.4e+05 0 e 0 0 0 0
278 1.620 3.246 27.355 1 U 2.36e+05 0 e 0 0 0 0
279 1.732 1.931 27.392 1 U 1.03e+06 0 e 0 0 0 0
280 1.620 1.931 27.392 1 U 8.37e+05 0 e 0 0 0 0
281 1.731 1.635 27.352 1 U 3.46e+06 0 e 0 0 0 0
282 1.622 1.745 27.392 1 U 2.39e+06 0 e 0 0 0 0
283 3.217 7.601 43.100 1 U 1.57e+05 0 e 0 0 0 0
284 3.226 1.916 43.129 1 U 3.06e+05 0 e 0 0 0 0
285 3.227 1.748 43.128 1 U 2.88e+05 0 e 0 0 0 0
286 3.222 1.599 43.111 1 U 2.67e+05 0 e 0 0 0 0
287 3.237 7.404 43.293 1 U 7.24e+04 0 e 0 0 0 0
288 3.238 1.926 43.281 1 U 2.38e+05 0 e 0 0 0 0
289 3.240 1.735 43.281 1 U 1.64e+05 0 e 0 0 0 0
290 3.240 1.617 43.281 1 U 1.73e+05 0 e 0 0 0 0
291 3.980 7.680 58.170 1 U 1.87e+05 0 e 0 0 0 0
292 3.980 7.387 58.162 1 U 9.47e+04 0 e 0 0 0 0
293 3.979 2.307 58.180 1 U 1.28e+05 0 e 0 0 0 0
294 3.977 2.503 58.208 1 U 5.91e+04 0 e 0 0 0 0
295 3.982 2.102 58.208 1 U 2.58e+05 0 e 0 0 0 0
296 2.102 7.678 29.385 1 U 2.24e+05 0 e 0 0 0 0
297 2.103 7.388 29.368 1 U 8.75e+04 0 e 0 0 0 0
298 2.100 3.991 29.354 1 U 1.49e+05 0 e 0 0 0 0
299 2.102 2.513 29.354 1 U 2.13e+05 0 e 0 0 0 0
300 2.099 2.327 29.354 1 U 1.1e+06 0 e 0 0 0 0
301 2.307 7.686 35.563 1 U 5.98e+04 0 e 0 0 0 0
302 2.513 7.680 35.606 1 U 1e+05 0 e 0 0 0 0
303 2.311 3.995 35.622 1 U 8.81e+04 0 e 0 0 0 0
304 2.312 2.124 35.600 1 U 2.01e+06 0 e 0 0 0 0
305 2.515 2.124 35.600 1 U 9.76e+05 0 e 0 0 0 0
306 4.256 7.392 57.149 1 U 1.68e+05 0 e 0 0 0 0
307 4.256 8.013 57.160 1 U 9.48e+04 0 e 0 0 0 0
308 4.258 1.882 57.114 1 U 5.64e+05 0 e 0 0 0 0
309 4.259 1.559 57.114 1 U 6e+04 0 e 0 0 0 0
310 4.259 1.505 57.114 1 U 5.31e+04 0 e 0 0 0 0
311 4.325 7.671 56.701 1 U 1.27e+05 0 e 0 0 0 0
312 4.324 7.843 56.739 1 U 6.48e+04 0 e 0 0 0 0
313 4.324 1.994 56.739 1 U 1.82e+05 0 e 0 0 0 0
314 4.324 1.847 56.739 1 U 1.7e+05 0 e 0 0 0 0
315 4.325 1.696 56.739 1 U 5.7e+04 0 e 0 0 0 0
316 4.325 1.515 56.739 1 U 7.53e+04 0 e 0 0 0 0
317 1.890 8.020 33.434 1 U 7.51e+04 0 e 0 0 0 0
318 1.844 8.014 33.457 1 U 6.16e+04 0 e 0 0 0 0
319 1.885 7.391 33.452 1 U 1.77e+05 0 e 0 0 0 0
320 1.854 7.394 33.420 1 U 1.29e+05 0 e 0 0 0 0
321 1.844 4.262 33.232 1 U 3e+05 0 e 0 0 0 0
322 1.887 4.261 33.331 1 U 2.12e+05 0 e 0 0 0 0
323 1.886 1.544 33.392 1 U 1.42e+05 0 e 0 0 0 0
324 1.840 1.543 33.408 1 U 9.62e+04 0 e 0 0 0 0
325 1.534 1.843 24.838 1 U 2.94e+05 0 e 0 0 0 0
326 1.470 1.842 24.830 1 U 2.94e+05 0 e 0 0 0 0
327 1.534 3.005 24.792 1 U 5.03e+04 0 e 0 0 0 0
328 1.473 2.995 24.792 1 U 4.35e+04 0 e 0 0 0 0
329 1.536 1.701 24.792 1 U 2.24e+06 0 e 0 0 0 0
330 1.470 1.696 24.792 1 U 2.76e+06 0 e 0 0 0 0
331 2.041 8.263 29.716 1 U 1.14e+05 0 e 0 0 0 0
332 2.167 8.268 29.700 1 U 9.15e+04 0 e 0 0 0 0
333 2.168 4.371 29.664 1 U 1.45e+05 0 e 0 0 0 0
334 2.043 4.380 29.686 1 U 9.05e+04 0 e 0 0 0 0
335 2.044 2.395 29.666 1 U 2.35e+05 0 e 0 0 0 0
336 2.167 2.397 29.675 1 U 2.96e+05 0 e 0 0 0 0
337 2.167 2.059 29.664 1 U 3.48e+06 0 e 0 0 0 0
338 2.046 2.177 29.694 1 U 2.77e+06 0 e 0 0 0 0
339 2.399 4.377 34.131 1 U 5.97e+04 0 e 0 0 0 0
340 2.471 4.371 34.112 1 U 5.75e+04 0 e 0 0 0 0
341 2.470 8.259 34.166 1 U 5.21e+04 0 e 0 0 0 0
342 2.394 8.264 34.156 1 U 4.74e+04 0 e 0 0 0 0
343 2.401 2.064 34.187 1 U 1.21e+05 0 e 0 0 0 0
344 2.474 2.065 34.153 1 U 1.63e+05 0 e 0 0 0 0
345 2.475 2.182 34.142 1 U 3.66e+05 0 e 0 0 0 0
346 2.395 2.183 34.138 1 U 2.89e+05 0 e 0 0 0 0
347 2.392 2.470 34.139 1 U 5.78e+06 0 e 0 0 0 0
348 2.475 2.400 34.152 1 U 6.15e+06 0 e 0 0 0 0
349 4.370 2.057 31.989 1 U 2.51e+05 0 e 0 0 0 0
350 4.369 8.266 55.889 1 U 1.32e+05 0 e 0 0 0 0
351 4.367 7.903 55.885 1 U 1.91e+05 0 e 0 0 0 0
352 4.368 2.382 55.893 1 U 1.17e+05 0 e 0 0 0 0
353 4.366 2.179 55.901 1 U 1.7e+05 0 e 0 0 0 0
354 4.368 2.058 55.914 1 U 2.47e+05 0 e 0 0 0 0
355 4.376 8.652 56.146 1 U 4.98e+05 0 e 0 0 0 0
356 4.374 1.992 56.119 1 U 2.17e+05 0 e 0 0 0 0
357 4.375 2.347 56.102 1 U 9.03e+04 0 e 0 0 0 0
358 4.374 2.058 56.102 1 U 1.96e+05 0 e 0 0 0 0
359 4.378 8.819 56.102 1 U 4.36e+04 0 e 0 0 0 0
360 2.059 4.381 30.329 1 U 1.57e+05 0 e 0 0 0 0
361 1.972 4.381 30.336 1 U 1.44e+05 0 e 0 0 0 0
362 1.971 2.334 30.340 1 U 4.28e+05 0 e 0 0 0 0
363 2.060 2.329 30.298 1 U 2.84e+05 0 e 0 0 0 0
364 1.964 8.651 30.270 1 U 6.51e+04 0 e 0 0 0 0
365 1.969 8.805 30.336 1 U 5.9e+04 0 e 0 0 0 0
366 2.060 8.802 30.298 1 U 4.45e+04 0 e 0 0 0 0
367 2.063 8.650 30.298 1 U 5.89e+04 0 e 0 0 0 0
368 2.327 8.653 35.519 1 U 5.42e+04 0 e 0 0 0 0
369 2.327 8.817 35.519 1 U 4.14e+04 0 e 0 0 0 0
370 2.327 4.373 35.519 1 U 9.47e+04 0 e 0 0 0 0
371 2.329 1.994 35.519 1 U 2.81e+05 0 e 0 0 0 0
372 1.837 7.673 32.318 1 U 1.49e+05 0 e 0 0 0 0
373 1.988 7.670 32.313 1 U 1.11e+05 0 e 0 0 0 0
374 1.835 4.339 32.294 1 U 1.34e+05 0 e 0 0 0 0
375 1.987 4.329 32.294 1 U 1.8e+05 0 e 0 0 0 0
376 1.836 1.993 32.302 1 U 2.37e+06 0 e 0 0 0 0
377 1.985 1.530 32.318 1 U 1.65e+05 0 e 0 0 0 0
378 1.836 1.545 32.296 1 U 1.62e+05 0 e 0 0 0 0
379 1.541 4.321 24.879 1 U 4.88e+04 0 e 0 0 0 0
380 1.473 4.321 24.879 1 U 3.62e+04 0 e 0 0 0 0
381 2.033 8.185 32.608 1 U 7.46e+04 0 e 0 0 0 0
382 1.891 8.186 32.578 1 U 6.01e+04 0 e 0 0 0 0
383 1.891 7.777 32.600 1 U 9.7e+04 0 e 0 0 0 0
384 2.038 7.767 32.600 1 U 2.11e+05 0 e 0 0 0 0
385 2.033 4.067 32.487 1 U 9.92e+04 0 e 0 0 0 0
386 2.040 4.064 32.600 1 U 7.86e+04 0 e 0 0 0 0
387 2.040 3.859 32.600 1 U 9.83e+04 0 e 0 0 0 0
388 1.892 4.064 32.600 1 U 1.05e+05 0 e 0 0 0 0
389 1.892 3.878 32.600 1 U 6.63e+04 0 e 0 0 0 0
390 1.894 0.863 32.582 1 U 1.39e+05 0 e 0 0 0 0
391 2.041 0.870 32.563 1 U 9.17e+04 0 e 0 0 0 0
392 2.038 1.692 32.566 1 U 3.74e+05 0 e 0 0 0 0
393 1.891 1.696 32.600 1 U 7.04e+05 0 e 0 0 0 0
394 1.891 2.048 32.600 1 U 1.97e+06 0 e 0 0 0 0
395 2.038 1.906 32.600 1 U 2.02e+06 0 e 0 0 0 0
396 1.952 7.946 32.506 1 U 1.07e+05 0 e 0 0 0 0
397 1.913 7.936 32.506 1 U 1.2e+05 0 e 0 0 0 0
398 1.914 4.397 32.506 1 U 5.74e+04 0 e 0 0 0 0
399 1.950 4.407 32.506 1 U 4.13e+04 0 e 0 0 0 0
400 1.951 3.908 32.506 1 U 8.95e+04 0 e 0 0 0 0
401 1.917 3.903 32.506 1 U 8e+04 0 e 0 0 0 0
402 1.951 0.937 32.506 1 U 5.11e+04 0 e 0 0 0 0
403 1.917 0.932 32.506 1 U 4.91e+04 0 e 0 0 0 0
404 2.510 7.938 35.312 1 U 1.18e+05 0 e 0 0 0 0
405 2.366 7.929 35.312 1 U 6.8e+04 0 e 0 0 0 0
406 2.518 4.082 35.312 1 U 6.94e+04 0 e 0 0 0 0
407 2.354 4.082 35.312 1 U 1.42e+05 0 e 0 0 0 0
408 2.513 2.146 35.312 1 U 5.59e+05 0 e 0 0 0 0
410 2.266 7.919 28.838 1 U 1.56e+05 0 e 0 0 0 0
411 2.266 8.254 28.798 1 U 8.16e+04 0 e 0 0 0 0
412 2.267 4.094 28.798 1 U 7.42e+04 0 e 0 0 0 0
413 2.267 3.790 28.798 1 U 6.63e+04 0 e 0 0 0 0
414 2.144 3.790 28.798 1 U 8.33e+04 0 e 0 0 0 0
415 2.144 4.099 28.798 1 U 2.68e+05 0 e 0 0 0 0
416 2.266 2.508 28.798 1 U 1.95e+05 0 e 0 0 0 0
417 2.144 2.503 28.798 1 U 2.44e+05 0 e 0 0 0 0
418 2.264 2.149 28.830 1 U 3.22e+06 0 e 0 0 0 0
419 2.143 7.916 28.798 1 U 1.94e+05 0 e 0 0 0 0
420 2.142 8.254 28.798 1 U 1.53e+05 0 e 0 0 0 0
422 2.071 8.455 28.567 1 U 2.03e+05 0 e 0 0 0 0
423 2.142 8.455 28.567 1 U 1.96e+05 0 e 0 0 0 0
424 2.142 7.911 28.567 1 U 1.3e+05 0 e 0 0 0 0
425 2.072 7.921 28.567 1 U 6.52e+04 0 e 0 0 0 0
426 2.075 4.109 28.567 1 U 1.18e+05 0 e 0 0 0 0
427 2.141 4.094 28.567 1 U 1.75e+05 0 e 0 0 0 0
428 2.076 2.361 28.567 1 U 7.33e+05 0 e 0 0 0 0
429 2.355 8.445 35.106 1 U 8.6e+04 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 . . H 1 H . . 8012 Hz . . . 4.85 . . 30204 2
2 . . H 1 H . . 8012 Hz . . . 4.85 . . 30204 2
3 . . C 13 CA . aliased 4824 Hz . . . 43 . . 30204 2
stop_
save_