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 30523
_Spectral_peak_list.ID 2
_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 15
_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 H
# INAME 2 N
# INAME 3 h
# SPECTRUM N15NOESY HN N H
1 10.519 123.258 7.871 1 T 1.793e+07 0.00e+00 a 0 0 0 0 0
2 7.504 120.205 4.071 1 T 2.602e+07 0.00e+00 a 0 0 0 0 0
3 7.504 120.203 3.712 1 T 6.928e+06 0.00e+00 a 0 0 0 0 0
4 7.504 120.216 3.505 1 T 5.405e+06 0.00e+00 a 0 0 0 0 0
5 7.503 120.205 7.477 1 T 5.243e+07 0.00e+00 a 0 0 0 0 0
6 7.504 120.204 7.174 1 T 1.516e+07 0.00e+00 a 0 0 0 0 0
7 7.504 120.203 8.270 1 T 1.443e+07 0.00e+00 a 0 0 0 0 0
8 8.873 116.695 7.170 1 T 1.075e+07 0.00e+00 a 0 0 0 0 0
9 8.872 116.687 7.890 1 T 8.508e+06 0.00e+00 a 0 0 0 0 0
10 8.875 116.694 7.470 1 T 3.544e+06 0.00e+00 a 0 0 0 0 0
11 8.873 116.692 4.029 1 T 1.843e+07 0.00e+00 a 0 0 0 0 0
12 8.873 116.690 3.509 1 T 7.105e+06 0.00e+00 a 0 0 0 0 0
13 8.560 129.496 4.128 1 T 4.037e+07 0.00e+00 a 0 0 0 0 0
14 8.561 129.496 4.766 1 T 1.411e+07 0.00e+00 a 0 0 0 0 0
15 8.562 129.500 4.567 1 T 2.643e+06 0.00e+00 a 0 0 0 0 0
16 8.562 129.495 2.393 1 T 5.664e+06 0.00e+00 a 0 0 0 0 0
17 8.561 129.496 2.172 1 T 2.855e+07 0.00e+00 a 0 0 0 0 0
18 8.561 129.498 1.885 1 T 1.564e+07 0.00e+00 a 0 0 0 0 0
19 8.561 129.497 1.020 1 T 2.622e+07 0.00e+00 a 0 0 0 0 0
20 8.561 129.494 0.824 1 T 5.784e+06 0.00e+00 a 0 0 0 0 0
21 8.561 129.495 7.767 1 T 8.750e+06 0.00e+00 a 0 0 0 0 0
22 8.561 129.497 8.538 1 T 7.581e+07 0.00e+00 a 0 0 0 0 0
23 8.561 129.503 7.312 1 T 2.159e+06 0.00e+00 a 0 0 0 0 0
24 8.527 113.861 4.601 1 T 2.134e+07 0.00e+00 a 0 0 0 0 0
25 8.527 113.860 4.285 1 T 1.848e+07 0.00e+00 a 0 0 0 0 0
26 8.528 113.863 3.285 1 T 3.378e+06 0.00e+00 a 0 0 0 0 0
27 8.527 113.860 3.000 1 T 1.298e+07 0.00e+00 a 0 0 0 0 0
28 8.527 113.865 2.627 1 T 1.622e+07 0.00e+00 a 0 0 0 0 0
29 8.527 113.868 2.409 1 T 4.489e+06 0.00e+00 a 0 0 0 0 0
30 8.526 113.862 2.128 1 T 1.250e+07 0.00e+00 a 0 0 0 0 0
31 8.527 113.862 1.813 1 T 2.045e+07 0.00e+00 a 0 0 0 0 0
32 8.527 113.863 1.558 1 T 1.503e+07 0.00e+00 a 0 0 0 0 0
33 8.528 113.853 1.237 1 T 1.851e+06 0.00e+00 a 0 0 0 0 0
34 8.527 113.861 1.007 1 T 9.822e+06 0.00e+00 a 0 0 0 0 0
35 8.527 113.808 4.103 1 T 9.555e+06 0.00e+00 a 0 0 0 0 0
36 8.527 113.868 7.739 1 T 2.245e+07 0.00e+00 a 0 0 0 0 0
37 8.527 113.861 8.504 1 T 1.090e+08 0.00e+00 a 0 0 0 0 0
38 7.433 122.054 4.967 1 T 1.192e+07 0.00e+00 a 0 0 0 0 0
39 7.432 122.061 4.394 1 T 1.931e+07 0.00e+00 a 0 0 0 0 0
40 7.433 122.061 3.005 1 T 8.325e+06 0.00e+00 a 0 0 0 0 0
41 7.432 122.048 2.693 1 T 5.135e+06 0.00e+00 a 0 0 0 0 0
43 9.091 125.408 4.965 1 T 3.453e+07 0.00e+00 a 0 0 0 0 0
44 9.091 125.407 4.357 1 T 1.204e+07 0.00e+00 a 0 0 0 0 0
45 9.091 125.402 3.014 1 T 4.054e+06 0.00e+00 a 0 0 0 0 0
46 9.091 125.405 2.151 1 T 1.002e+07 0.00e+00 a 0 0 0 0 0
47 9.091 125.406 1.709 1 T 2.517e+07 0.00e+00 a 0 0 0 0 0
48 9.091 125.405 1.339 1 T 1.357e+07 0.00e+00 a 0 0 0 0 0
49 9.091 125.409 0.831 1 T 3.242e+07 0.00e+00 a 0 0 0 0 0
50 9.091 125.409 7.403 1 T 4.004e+06 0.00e+00 a 0 0 0 0 0
51 9.091 125.409 9.070 1 T 6.055e+07 0.00e+00 a 0 0 0 0 0
52 9.091 125.403 9.651 1 T 6.622e+06 0.00e+00 a 0 0 0 0 0
53 8.866 127.277 8.844 1 T 8.247e+07 0.00e+00 a 0 0 0 0 0
54 8.867 127.277 4.367 1 T 5.132e+07 0.00e+00 a 0 0 0 0 0
55 8.867 127.270 5.063 1 T 3.895e+06 0.00e+00 a 0 0 0 0 0
56 8.867 127.280 4.800 1 T 1.017e+07 0.00e+00 a 0 0 0 0 0
57 8.867 127.277 2.374 1 T 5.613e+06 0.00e+00 a 0 0 0 0 0
58 8.867 127.278 2.217 1 T 7.427e+06 0.00e+00 a 0 0 0 0 0
59 8.866 127.274 2.022 1 T 5.994e+06 0.00e+00 a 0 0 0 0 0
60 8.867 127.279 1.759 1 T 2.628e+07 0.00e+00 a 0 0 0 0 0
61 8.866 127.286 2.763 1 T 2.199e+06 0.00e+00 a 0 0 0 0 0
63 8.866 127.278 1.357 1 T 4.416e+06 0.00e+00 a 0 0 0 0 0
64 8.867 127.277 0.716 1 T 5.251e+07 0.00e+00 a 0 0 0 0 0
65 8.867 127.275 0.124 1 T 1.052e+07 0.00e+00 a 0 0 0 0 0
66 9.008 128.411 0.777 1 T 4.623e+07 0.00e+00 a 0 0 0 0 0
67 9.006 128.405 0.443 1 T 3.878e+06 0.00e+00 a 0 0 0 0 0
68 9.008 128.411 0.124 1 T 1.666e+07 0.00e+00 a 0 0 0 0 0
69 9.008 128.411 2.580 1 T 2.606e+06 0.00e+00 a 0 0 0 0 0
70 9.008 128.410 2.141 1 T 1.894e+07 0.00e+00 a 0 0 0 0 0
71 9.008 128.410 1.770 1 T 6.269e+06 0.00e+00 a 0 0 0 0 0
72 9.012 128.401 1.316 1 T 2.839e+06 0.00e+00 a 0 0 0 0 0
73 9.008 128.398 5.288 1 T 2.095e+06 0.00e+00 a 0 0 0 0 0
74 9.006 128.408 5.077 1 T 3.689e+06 0.00e+00 a 0 0 0 0 0
75 9.008 128.411 4.420 1 T 3.378e+07 0.00e+00 a 0 0 0 0 0
76 9.006 128.391 6.747 1 T 1.967e+06 0.00e+00 a 0 0 0 0 0
77 9.007 128.414 9.644 1 T 4.170e+06 0.00e+00 a 0 0 0 0 0
78 9.008 128.411 8.980 1 T 5.799e+07 0.00e+00 a 0 0 0 0 0
79 7.876 110.927 4.766 1 T 1.368e+07 0.00e+00 a 0 0 0 0 0
80 7.875 110.927 4.273 1 T 4.414e+07 0.00e+00 a 0 0 0 0 0
81 8.631 125.017 4.467 1 T 4.409e+07 0.00e+00 a 0 0 0 0 0
82 8.630 125.018 4.090 1 T 2.076e+07 0.00e+00 a 0 0 0 0 0
83 8.630 125.023 3.340 1 T 1.188e+07 0.00e+00 a 0 0 0 0 0
84 9.801 121.879 4.004 1 T 2.125e+07 0.00e+00 a 0 0 0 0 0
85 9.803 121.877 4.596 1 T 6.205e+06 0.00e+00 a 0 0 0 0 0
86 9.801 121.876 9.777 1 T 2.395e+07 0.00e+00 a 0 0 0 0 0
87 8.581 121.863 3.958 1 T 2.541e+07 0.00e+00 a 0 0 0 0 0
88 8.208 120.463 4.265 1 T 3.172e+07 0.00e+00 a 0 0 0 0 0
89 8.205 120.613 3.902 1 T 3.800e+07 0.00e+00 a 0 0 0 0 0
90 8.124 120.353 3.154 1 T 2.766e+07 0.00e+00 a 0 0 0 0 0
91 7.881 118.824 4.089 1 T 2.963e+07 0.00e+00 a 0 0 0 0 0
92 7.885 118.789 3.943 1 T 1.988e+07 0.00e+00 a 0 0 0 0 0
94 7.910 112.806 2.122 1 T 8.734e+06 0.00e+00 a 0 0 0 0 0
95 7.910 112.801 1.835 1 T 6.930e+06 0.00e+00 a 0 0 0 0 0
96 7.910 112.801 1.539 1 T 1.799e+07 0.00e+00 a 0 0 0 0 0
97 7.910 112.803 1.128 1 T 1.221e+07 0.00e+00 a 0 0 0 0 0
98 7.910 112.803 0.950 1 T 2.621e+07 0.00e+00 a 0 0 0 0 0
99 7.911 112.801 0.701 1 T 9.603e+06 0.00e+00 a 0 0 0 0 0
100 7.912 112.804 3.187 1 T 2.122e+06 0.00e+00 a 0 0 0 0 0
101 7.912 112.805 4.762 1 T 3.985e+06 0.00e+00 a 0 0 0 0 0
102 7.910 112.801 3.932 1 T 3.742e+07 0.00e+00 a 0 0 0 0 0
103 7.911 112.802 7.897 1 T 1.203e+08 0.00e+00 a 0 0 0 0 0
104 7.910 112.812 7.619 1 T 1.730e+07 0.00e+00 a 0 0 0 0 0
105 7.651 121.858 4.046 1 T 5.326e+07 0.00e+00 a 0 0 0 0 0
106 7.651 121.859 2.334 1 T 1.581e+07 0.00e+00 a 0 0 0 0 0
107 7.650 121.857 2.116 1 T 6.665e+07 0.00e+00 a 0 0 0 0 0
108 7.648 121.866 1.830 1 T 8.007e+06 0.00e+00 a 0 0 0 0 0
109 7.651 121.861 1.526 1 T 7.241e+06 0.00e+00 a 0 0 0 0 0
110 7.652 121.860 1.177 1 T 4.059e+06 0.00e+00 a 0 0 0 0 0
111 7.653 121.859 0.929 1 T 1.114e+07 0.00e+00 a 0 0 0 0 0
112 7.653 121.867 4.766 1 T 3.057e+06 0.00e+00 a 0 0 0 0 0
113 7.651 121.866 8.191 1 T 3.063e+06 0.00e+00 a 0 0 0 0 0
114 7.649 121.862 7.900 1 T 1.956e+07 0.00e+00 a 0 0 0 0 0
115 7.652 121.858 7.623 1 T 1.509e+08 0.00e+00 a 0 0 0 0 0
116 7.585 116.342 4.016 1 T 4.506e+07 0.00e+00 a 0 0 0 0 0
117 8.228 118.247 4.390 1 T 1.974e+07 0.00e+00 a 0 0 0 0 0
118 8.225 118.246 3.996 1 T 2.589e+07 0.00e+00 a 0 0 0 0 0
119 8.226 118.248 2.296 1 T 1.927e+07 0.00e+00 a 0 0 0 0 0
120 8.227 118.247 1.823 1 T 5.480e+07 0.00e+00 a 0 0 0 0 0
121 8.225 118.248 1.510 1 T 1.075e+07 0.00e+00 a 0 0 0 0 0
122 8.226 118.244 1.183 1 T 7.309e+06 0.00e+00 a 0 0 0 0 0
123 8.226 118.246 0.822 1 T 1.710e+07 0.00e+00 a 0 0 0 0 0
124 8.226 118.255 3.232 1 T 3.335e+06 0.00e+00 a 0 0 0 0 0
125 8.226 118.248 8.210 1 T 1.065e+08 0.00e+00 a 0 0 0 0 0
126 8.228 118.247 7.931 1 T 1.966e+07 0.00e+00 a 0 0 0 0 0
127 8.228 118.247 7.570 1 T 2.880e+07 0.00e+00 a 0 0 0 0 0
128 7.877 118.280 4.765 1 T 1.989e+07 0.00e+00 a 0 0 0 0 0
129 7.878 118.279 4.501 1 T 9.781e+06 0.00e+00 a 0 0 0 0 0
130 7.878 118.280 2.560 1 T 2.444e+07 0.00e+00 a 0 0 0 0 0
131 7.876 118.413 2.164 1 T 1.479e+07 0.00e+00 a 0 0 0 0 0
132 7.955 108.969 4.765 1 T 5.341e+06 0.00e+00 a 0 0 0 0 0
133 7.954 108.971 4.391 1 T 1.487e+07 0.00e+00 a 0 0 0 0 0
134 7.954 108.969 4.106 1 T 3.916e+07 0.00e+00 a 0 0 0 0 0
135 7.954 108.969 3.904 1 T 5.054e+07 0.00e+00 a 0 0 0 0 0
136 7.954 108.965 3.223 1 T 3.491e+06 0.00e+00 a 0 0 0 0 0
137 7.956 108.973 2.761 1 T 1.073e+06 0.00e+00 a 0 0 0 0 0
139 7.953 108.967 2.290 1 T 4.459e+06 0.00e+00 a 0 0 0 0 0
140 7.954 108.968 1.827 1 T 1.934e+07 0.00e+00 a 0 0 0 0 0
141 7.956 108.970 1.511 1 T 2.912e+06 0.00e+00 a 0 0 0 0 0
142 7.957 108.961 8.471 1 T 2.191e+06 0.00e+00 a 0 0 0 0 0
143 7.954 108.969 8.212 1 T 2.140e+07 0.00e+00 a 0 0 0 0 0
144 7.954 108.969 7.933 1 T 1.218e+08 0.00e+00 a 0 0 0 0 0
145 7.955 108.972 7.582 1 T 7.671e+06 0.00e+00 a 0 0 0 0 0
146 7.955 108.995 1.170 1 T 1.857e+06 0.00e+00 a 0 0 0 0 0
147 7.955 108.974 0.897 1 T 5.793e+06 0.00e+00 a 0 0 0 0 0
148 8.493 120.421 2.617 1 T 1.457e+07 0.00e+00 a 0 0 0 0 0
149 8.470 120.073 2.641 1 T 2.020e+07 0.00e+00 a 0 0 0 0 0
150 8.492 120.403 4.132 1 T 1.235e+07 0.00e+00 a 0 0 0 0 0
151 8.491 120.417 3.899 1 T 1.079e+07 0.00e+00 a 0 0 0 0 0
152 8.493 120.404 4.769 1 T 8.213e+06 0.00e+00 a 0 0 0 0 0
153 8.491 120.387 4.508 1 T 6.884e+06 0.00e+00 a 0 0 0 0 0
154 8.493 120.354 8.468 1 T 1.450e+07 0.00e+00 a 0 0 0 0 0
155 8.497 120.467 7.916 1 T 4.849e+06 0.00e+00 a 0 0 0 0 0
156 8.640 120.154 3.890 1 T 3.566e+07 0.00e+00 a 0 0 0 0 0
157 8.641 120.154 4.682 1 T 6.765e+07 0.00e+00 a 0 0 0 0 0
158 8.641 120.155 2.284 1 T 1.199e+07 0.00e+00 a 0 0 0 0 0
159 8.640 120.155 2.054 1 T 2.021e+07 0.00e+00 a 0 0 0 0 0
160 8.640 120.155 1.072 1 T 1.329e+07 0.00e+00 a 0 0 0 0 0
161 8.640 120.155 0.848 1 T 5.902e+06 0.00e+00 a 0 0 0 0 0
162 8.639 120.162 7.759 1 T 4.852e+06 0.00e+00 a 0 0 0 0 0
163 8.640 120.153 8.618 1 T 1.308e+08 0.00e+00 a 0 0 0 0 0
164 8.641 120.155 9.240 1 T 4.614e+06 0.00e+00 a 0 0 0 0 0
165 8.425 117.089 1.827 1 T 2.532e+06 0.00e+00 a 0 0 0 0 0
166 8.422 117.140 2.795 1 T 2.008e+07 0.00e+00 a 0 0 0 0 0
167 8.422 117.134 3.224 1 T 2.723e+06 0.00e+00 a 0 0 0 0 0
168 8.422 117.122 3.903 1 T 2.253e+06 0.00e+00 a 0 0 0 0 0
169 8.421 117.119 4.109 1 T 2.461e+06 0.00e+00 a 0 0 0 0 0
170 8.421 117.144 4.740 1 T 1.197e+07 0.00e+00 a 0 0 0 0 0
171 8.422 117.136 4.546 1 T 1.695e+07 0.00e+00 a 0 0 0 0 0
172 8.423 117.152 7.713 1 T 9.261e+06 0.00e+00 a 0 0 0 0 0
173 8.420 117.143 8.398 1 T 2.832e+07 0.00e+00 a 0 0 0 0 0
174 7.737 120.205 8.404 1 T 9.844e+06 0.00e+00 a 0 0 0 0 0
175 7.737 120.205 7.716 1 T 1.647e+08 0.00e+00 a 0 0 0 0 0
177 7.738 120.204 4.515 1 T 3.383e+07 0.00e+00 a 0 0 0 0 0
178 7.736 120.206 4.078 1 T 2.946e+06 0.00e+00 a 0 0 0 0 0
179 7.737 120.203 3.904 1 T 5.724e+06 0.00e+00 a 0 0 0 0 0
180 7.856 119.849 4.798 1 T 4.058e+06 0.00e+00 a 0 0 0 0 0
181 7.858 119.845 4.336 1 T 3.354e+07 0.00e+00 a 0 0 0 0 0
182 7.858 119.839 4.005 1 T 9.343e+06 0.00e+00 a 0 0 0 0 0
183 7.738 120.205 3.222 1 T 6.490e+07 0.00e+00 a 0 0 0 0 0
184 7.738 120.206 2.801 1 T 1.358e+07 0.00e+00 a 0 0 0 0 0
185 7.736 120.204 1.828 1 T 1.035e+07 0.00e+00 a 0 0 0 0 0
186 7.736 120.201 1.488 1 T 5.642e+06 0.00e+00 a 0 0 0 0 0
187 7.738 120.210 0.944 1 T 6.163e+06 0.00e+00 a 0 0 0 0 0
188 7.739 120.208 0.691 1 T 3.561e+06 0.00e+00 a 0 0 0 0 0
189 7.737 120.183 4.758 1 T 1.041e+07 0.00e+00 a 0 0 0 0 0
190 7.594 121.695 0.655 1 T 3.246e+06 0.00e+00 a 0 0 0 0 0
191 7.594 121.772 1.466 1 T 3.414e+07 0.00e+00 a 0 0 0 0 0
192 7.592 121.770 0.949 1 T 1.866e+07 0.00e+00 a 0 0 0 0 0
193 7.593 121.777 2.821 1 T 3.369e+06 0.00e+00 a 0 0 0 0 0
194 7.593 121.772 3.222 1 T 1.440e+07 0.00e+00 a 0 0 0 0 0
195 7.593 121.759 3.903 1 T 1.648e+07 0.00e+00 a 0 0 0 0 0
196 7.593 121.765 4.754 1 T 5.862e+06 0.00e+00 a 0 0 0 0 0
197 7.594 121.776 4.494 1 T 2.602e+07 0.00e+00 a 0 0 0 0 0
198 7.592 121.767 7.566 1 T 1.005e+08 0.00e+00 a 0 0 0 0 0
199 7.841 121.383 4.597 1 T 1.843e+07 0.00e+00 a 0 0 0 0 0
200 7.843 121.380 3.890 1 T 3.539e+07 0.00e+00 a 0 0 0 0 0
201 7.842 121.390 3.147 1 T 1.652e+07 0.00e+00 a 0 0 0 0 0
202 7.842 121.379 2.878 1 T 2.294e+07 0.00e+00 a 0 0 0 0 0
203 7.845 121.345 2.603 1 T 2.978e+06 0.00e+00 a 0 0 0 0 0
204 7.849 121.316 2.169 1 T 2.370e+06 0.00e+00 a 0 0 0 0 0
205 7.839 121.354 1.848 1 T 3.619e+06 0.00e+00 a 0 0 0 0 0
206 7.844 121.367 1.603 1 T 1.440e+07 0.00e+00 a 0 0 0 0 0
207 7.844 121.361 1.117 1 T 4.969e+06 0.00e+00 a 0 0 0 0 0
208 7.846 121.350 0.924 1 T 7.311e+06 0.00e+00 a 0 0 0 0 0
209 7.842 121.395 0.595 1 T 1.316e+07 0.00e+00 a 0 0 0 0 0
210 7.842 121.383 7.821 1 T 1.358e+08 0.00e+00 a 0 0 0 0 0
211 7.843 121.388 7.538 1 T 2.056e+07 0.00e+00 a 0 0 0 0 0
212 7.843 121.378 7.157 1 T 9.116e+06 0.00e+00 a 0 0 0 0 0
213 8.127 121.348 4.603 1 T 2.683e+07 0.00e+00 a 0 0 0 0 0
214 8.128 121.348 4.134 1 T 1.644e+07 0.00e+00 a 0 0 0 0 0
215 8.127 121.347 3.894 1 T 6.649e+06 0.00e+00 a 0 0 0 0 0
216 8.127 121.362 3.144 1 T 9.313e+06 0.00e+00 a 0 0 0 0 0
217 8.127 121.353 2.877 1 T 8.377e+06 0.00e+00 a 0 0 0 0 0
218 8.126 121.360 2.147 1 T 1.525e+07 0.00e+00 a 0 0 0 0 0
219 8.127 121.350 1.857 1 T 2.750e+07 0.00e+00 a 0 0 0 0 0
220 8.128 121.368 0.595 1 T 2.623e+06 0.00e+00 a 0 0 0 0 0
221 8.126 121.328 1.562 1 T 2.621e+06 0.00e+00 a 0 0 0 0 0
222 8.128 121.371 1.312 1 T 2.064e+06 0.00e+00 a 0 0 0 0 0
223 8.127 121.353 8.111 1 T 9.888e+07 0.00e+00 a 0 0 0 0 0
224 8.129 121.361 7.821 1 T 1.272e+07 0.00e+00 a 0 0 0 0 0
225 8.128 121.316 7.550 1 T 2.845e+06 0.00e+00 a 0 0 0 0 0
226 8.126 121.340 7.181 1 T 3.832e+06 0.00e+00 a 0 0 0 0 0
227 8.191 110.311 8.167 1 T 3.684e+07 0.00e+00 a 0 0 0 0 0
228 8.191 110.311 4.763 1 T 8.873e+06 0.00e+00 a 0 0 0 0 0
229 8.191 110.311 4.129 1 T 2.216e+07 0.00e+00 a 0 0 0 0 0
230 8.192 110.311 3.854 1 T 2.440e+07 0.00e+00 a 0 0 0 0 0
231 8.191 110.310 1.892 1 T 6.413e+06 0.00e+00 a 0 0 0 0 0
232 8.192 110.311 2.155 1 T 4.251e+06 0.00e+00 a 0 0 0 0 0
233 7.605 110.185 6.226 1 T 3.868e+07 0.00e+00 a 0 0 0 0 0
234 7.607 110.112 7.585 1 T 5.454e+07 0.00e+00 a 0 0 0 0 0
235 7.604 110.158 8.152 1 T 3.013e+06 0.00e+00 a 0 0 0 0 0
236 7.605 110.152 4.535 1 T 2.773e+06 0.00e+00 a 0 0 0 0 0
237 7.604 110.143 3.951 1 T 6.752e+06 0.00e+00 a 0 0 0 0 0
238 7.604 110.148 3.152 1 T 7.868e+06 0.00e+00 a 0 0 0 0 0
239 7.604 110.104 2.670 1 T 9.299e+06 0.00e+00 a 0 0 0 0 0
240 7.605 110.110 2.484 1 T 1.160e+07 0.00e+00 a 0 0 0 0 0
241 7.605 110.147 2.182 1 T 3.702e+06 0.00e+00 a 0 0 0 0 0
242 7.602 110.112 1.949 1 T 2.334e+06 0.00e+00 a 0 0 0 0 0
243 7.604 110.148 1.582 1 T 7.276e+06 0.00e+00 a 0 0 0 0 0
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1001 8.391 122.422 3.935 1 T 5.031e+07 0.00e+00 a 0 0 0 0 0
1002 8.391 122.425 3.285 1 T 1.992e+07 0.00e+00 a 0 0 0 0 0
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1004 8.391 122.427 8.944 1 T 6.163e+06 0.00e+00 a 0 0 0 0 0
1005 8.441 118.231 1.090 1 T 1.809e+07 0.00e+00 a 0 0 0 0 0
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1007 8.441 118.232 2.219 1 T 4.804e+07 0.00e+00 a 0 0 0 0 0
1008 8.441 118.228 3.930 1 T 6.316e+07 0.00e+00 a 0 0 0 0 0
1009 8.440 118.231 4.709 1 T 6.693e+07 0.00e+00 a 0 0 0 0 0
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1015 9.263 122.944 0.776 1 T 3.070e+07 0.00e+00 a 0 0 0 0 0
1016 9.262 122.943 4.990 1 T 1.144e+07 0.00e+00 a 0 0 0 0 0
1017 9.263 122.944 4.675 1 T 4.101e+07 0.00e+00 a 0 0 0 0 0
1018 9.263 122.946 3.924 1 T 9.226e+06 0.00e+00 a 0 0 0 0 0
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1290 8.753 124.589 4.038 1 T 2.696e+06 0.00e+00 a 0 0 0 0 0
1291 8.748 124.600 3.327 1 T 2.739e+07 0.00e+00 a 0 0 0 0 0
1292 8.748 124.603 2.987 1 T 6.246e+06 0.00e+00 a 0 0 0 0 0
1293 8.748 124.600 2.609 1 T 3.855e+06 0.00e+00 a 0 0 0 0 0
1294 8.751 124.600 2.179 1 T 3.633e+06 0.00e+00 a 0 0 0 0 0
1295 8.753 124.588 1.896 1 T 1.978e+06 0.00e+00 a 0 0 0 0 0
1296 8.745 124.597 1.620 1 T 1.938e+06 0.00e+00 a 0 0 0 0 0
1297 8.748 124.590 1.347 1 T 4.455e+06 0.00e+00 a 0 0 0 0 0
1298 8.747 124.592 1.078 1 T 2.607e+06 0.00e+00 a 0 0 0 0 0
1299 8.751 124.599 0.799 1 T 1.090e+07 0.00e+00 a 0 0 0 0 0
1300 8.747 124.598 0.478 1 T 2.123e+06 0.00e+00 a 0 0 0 0 0
1301 8.747 124.601 6.784 1 T 1.606e+07 0.00e+00 a 0 0 0 0 0
1302 8.748 124.597 7.837 1 T 5.501e+06 0.00e+00 a 0 0 0 0 0
1303 8.748 124.603 8.724 1 T 7.128e+07 0.00e+00 a 0 0 0 0 0
1304 8.748 124.600 9.576 1 T 5.429e+06 0.00e+00 a 0 0 0 0 0
1305 8.630 125.030 2.178 1 T 1.861e+07 0.00e+00 a 0 0 0 0 0
1306 8.630 124.938 1.564 1 T 2.623e+06 0.00e+00 a 0 0 0 0 0
1307 8.629 125.033 6.993 1 T 4.698e+06 0.00e+00 a 0 0 0 0 0
1308 8.630 125.047 9.777 1 T 3.161e+06 0.00e+00 a 0 0 0 0 0
1309 8.630 125.023 8.611 1 T 7.095e+07 0.00e+00 a 0 0 0 0 0
1310 9.802 121.876 3.003 1 T 2.393e+06 0.00e+00 a 0 0 0 0 0
1311 9.800 121.896 2.666 1 T 3.844e+06 0.00e+00 a 0 0 0 0 0
1312 9.803 121.900 2.168 1 T 4.168e+06 0.00e+00 a 0 0 0 0 0
1313 9.805 121.887 1.951 1 T 2.975e+06 0.00e+00 a 0 0 0 0 0
1314 9.801 121.875 1.561 1 T 2.589e+07 0.00e+00 a 0 0 0 0 0
1315 9.801 121.880 1.098 1 T 6.979e+06 0.00e+00 a 0 0 0 0 0
1316 9.803 121.873 0.861 1 T 3.398e+06 0.00e+00 a 0 0 0 0 0
1317 9.803 121.881 8.564 1 T 7.930e+06 0.00e+00 a 0 0 0 0 0
1318 9.801 121.876 8.199 1 T 2.481e+06 0.00e+00 a 0 0 0 0 0
1319 9.802 121.895 7.843 1 T 3.071e+06 0.00e+00 a 0 0 0 0 0
1320 9.800 121.882 7.415 1 T 2.014e+06 0.00e+00 a 0 0 0 0 0
1321 9.800 121.900 7.073 1 T 2.603e+06 0.00e+00 a 0 0 0 0 0
1322 9.798 121.872 6.506 1 T 1.859e+06 0.00e+00 a 0 0 0 0 0
1323 8.200 123.209 8.565 1 T 1.348e+07 0.00e+00 a 0 0 0 0 0
1324 8.262 118.759 2.376 1 T 1.772e+07 0.00e+00 a 0 0 0 0 0
1325 8.263 118.759 2.149 1 T 5.241e+07 0.00e+00 a 0 0 0 0 0
1326 8.265 118.721 1.589 1 T 7.558e+06 0.00e+00 a 0 0 0 0 0
1328 8.262 118.732 0.885 1 T 7.358e+06 0.00e+00 a 0 0 0 0 0
1329 8.264 118.767 3.158 1 T 4.764e+06 0.00e+00 a 0 0 0 0 0
1330 8.263 118.753 3.896 1 T 2.363e+07 0.00e+00 a 0 0 0 0 0
1331 8.262 118.760 6.512 1 T 4.643e+06 0.00e+00 a 0 0 0 0 0
1332 8.262 118.749 8.224 1 T 8.043e+07 0.00e+00 a 0 0 0 0 0
1333 8.259 118.649 7.435 1 T 5.296e+06 0.00e+00 a 0 0 0 0 0
1334 8.210 120.477 6.225 1 T 3.466e+06 0.00e+00 a 0 0 0 0 0
1335 8.124 120.376 2.401 1 T 1.864e+07 0.00e+00 a 0 0 0 0 0
1336 8.124 120.362 2.150 1 T 6.062e+07 0.00e+00 a 0 0 0 0 0
1337 8.124 120.378 1.872 1 T 8.560e+06 0.00e+00 a 0 0 0 0 0
1338 8.124 120.394 1.527 1 T 7.158e+06 0.00e+00 a 0 0 0 0 0
1339 8.124 120.364 3.943 1 T 3.775e+07 0.00e+00 a 0 0 0 0 0
1341 8.125 120.361 0.910 1 T 5.785e+06 0.00e+00 a 0 0 0 0 0
1342 8.126 120.402 7.049 1 T 4.767e+06 0.00e+00 a 0 0 0 0 0
1343 8.124 120.366 8.109 1 T 1.297e+08 0.00e+00 a 0 0 0 0 0
1344 8.121 120.371 7.860 1 T 2.142e+07 0.00e+00 a 0 0 0 0 0
1345 7.881 118.824 1.842 1 T 5.261e+07 0.00e+00 a 0 0 0 0 0
1346 7.881 118.826 1.508 1 T 3.066e+07 0.00e+00 a 0 0 0 0 0
1347 7.880 118.827 8.111 1 T 2.090e+07 0.00e+00 a 0 0 0 0 0
1348 7.882 118.823 7.874 1 T 1.222e+08 0.00e+00 a 0 0 0 0 0
1349 7.966 119.900 2.129 1 T 7.060e+06 0.00e+00 a 0 0 0 0 0
1350 7.966 119.900 1.837 1 T 2.434e+07 0.00e+00 a 0 0 0 0 0
1351 7.965 119.897 1.532 1 T 4.943e+07 0.00e+00 a 0 0 0 0 0
1352 7.965 119.900 1.144 1 T 2.093e+07 0.00e+00 a 0 0 0 0 0
1353 7.967 119.904 0.889 1 T 7.188e+06 0.00e+00 a 0 0 0 0 0
1354 7.965 119.900 0.705 1 T 2.020e+07 0.00e+00 a 0 0 0 0 0
1355 7.968 119.913 3.163 1 T 3.179e+06 0.00e+00 a 0 0 0 0 0
1356 7.966 119.899 3.974 1 T 3.125e+07 0.00e+00 a 0 0 0 0 0
1357 7.967 119.905 7.932 1 T 1.152e+08 0.00e+00 a 0 0 0 0 0
1358 7.969 119.922 7.619 1 T 5.406e+06 0.00e+00 a 0 0 0 0 0
1359 7.907 112.780 4.103 1 T 2.778e+07 0.00e+00 a 0 0 0 0 0
1360 7.586 116.342 2.319 1 T 7.596e+06 0.00e+00 a 0 0 0 0 0
1361 7.585 116.339 2.112 1 T 3.090e+07 0.00e+00 a 0 0 0 0 0
1362 7.586 116.342 1.808 1 T 3.974e+07 0.00e+00 a 0 0 0 0 0
1363 7.585 116.343 1.506 1 T 2.675e+07 0.00e+00 a 0 0 0 0 0
1364 7.585 116.341 1.186 1 T 2.175e+07 0.00e+00 a 0 0 0 0 0
1365 7.586 116.341 0.813 1 T 2.791e+07 0.00e+00 a 0 0 0 0 0
1367 7.586 116.344 8.210 1 T 2.521e+07 0.00e+00 a 0 0 0 0 0
1369 7.585 116.341 7.569 1 T 1.491e+08 0.00e+00 a 0 0 0 0 0
1371 7.550 119.061 1.583 1 T 3.793e+07 0.00e+00 a 0 0 0 0 0
1372 7.549 119.059 0.946 1 T 2.779e+07 0.00e+00 a 0 0 0 0 0
1373 7.549 119.059 0.608 1 T 2.426e+07 0.00e+00 a 0 0 0 0 0
1374 7.550 119.050 3.185 1 T 3.526e+06 0.00e+00 a 0 0 0 0 0
1375 7.551 119.064 2.849 1 T 3.794e+06 0.00e+00 a 0 0 0 0 0
1376 7.549 119.061 3.901 1 T 6.231e+07 0.00e+00 a 0 0 0 0 0
1377 7.550 119.063 4.681 1 T 4.334e+06 0.00e+00 a 0 0 0 0 0
1378 7.549 119.069 4.551 1 T 4.341e+06 0.00e+00 a 0 0 0 0 0
1379 7.550 119.062 7.530 1 T 1.688e+08 0.00e+00 a 0 0 0 0 0
1380 7.548 119.067 7.806 1 T 1.990e+07 0.00e+00 a 0 0 0 0 0
1381 8.201 120.718 4.553 1 T 1.249e+07 0.00e+00 a 0 0 0 0 0
1382 8.795 130.879 0.728 1 T 1.282e+07 0.00e+00 a 0 0 0 0 0
1383 8.795 130.879 1.719 1 T 9.984e+06 0.00e+00 a 0 0 0 0 0
1384 8.665 112.852 0.857 1 T 1.494e+07 0.00e+00 a 0 0 0 0 0
1385 9.858 129.206 8.189 1 T 1.779e+06 0.00e+00 a 0 0 0 0 0
1386 9.855 129.210 7.906 1 T 3.611e+06 0.00e+00 a 0 0 0 0 0
1387 9.856 129.209 7.636 1 T 2.568e+06 0.00e+00 a 0 0 0 0 0
1391 9.856 129.207 0.939 1 T 1.012e+07 0.00e+00 a 0 0 0 0 0
1392 9.856 129.208 0.698 1 T 7.523e+06 0.00e+00 a 0 0 0 0 0
1393 9.856 129.209 2.097 1 T 3.741e+06 0.00e+00 a 0 0 0 0 0
1394 9.856 129.208 1.811 1 T 1.039e+07 0.00e+00 a 0 0 0 0 0
1395 9.855 129.210 1.533 1 T 6.452e+06 0.00e+00 a 0 0 0 0 0
1396 9.856 129.204 3.213 1 T 5.987e+06 0.00e+00 a 0 0 0 0 0
1397 9.856 129.209 2.833 1 T 5.299e+06 0.00e+00 a 0 0 0 0 0
1398 9.856 129.208 3.894 1 T 1.143e+07 0.00e+00 a 0 0 0 0 0
1399 9.856 129.208 4.762 1 T 4.171e+06 0.00e+00 a 0 0 0 0 0
1400 9.856 129.205 4.498 1 T 5.328e+06 0.00e+00 a 0 0 0 0 0
1401 9.854 129.179 9.857 1 T 2.498e+08 0.00e+00 a 0 0 0 0 0
1405 9.858 129.188 1.141 1 T 3.622e+06 0.00e+00 a 0 0 0 0 0
1406 9.858 129.188 4.078 1 T 4.604e+06 0.00e+00 a 0 0 0 0 0
1407 9.631 123.275 0.135 1 T 1.679e+06 0.00e+00 a 0 0 0 0 0
1408 9.448 123.450 3.470 1 T 1.025e+07 0.00e+00 a 0 0 0 0 0
1409 9.856 129.209 7.222 1 T 5.181e+07 0.00e+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-aromatic . . 7198.1285 Hz . . . 4.783 . . 30523 2
2 . . C 13 C-aromatic . . 3619.7457 Hz . . . 125.1463 . . 30523 2
3 . . H 1 H . . 8445.9459 Hz . . . 4.783 . . 30523 2
stop_
save_