Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 34347
_Spectral_peak_list.ID 1
_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.Experiment_ID 3
_Spectral_peak_list.Experiment_name '3D 1H-13C RFDR'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 1
_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
# INAME 1 HC
# INAME 2 C
# INAME 3 H
1 4.151 54.389 10.484 1 T 9.287e+05 0.00e+00 a 0 0 0 0 0
2 4.199 54.248 10.475 1 T 9.055e+05 0.00e+00 a 0 0 0 0 0
3 -0.923 47.187 10.467 1 T 9.181e+05 0.00e+00 a 0 0 0 0 0
4 2.392 23.081 10.477 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0
5 2.368 41.335 10.453 1 T 1.024e+06 0.00e+00 a 0 0 0 0 0
6 1.921 37.130 10.420 1 T 9.894e+05 0.00e+00 a 0 0 0 0 0
7 0.797 27.214 10.421 1 T 1.105e+06 0.00e+00 a 0 0 0 0 0
8 4.537 56.795 10.408 1 T 9.945e+05 0.00e+00 a 0 0 0 0 0
9 2.911 42.228 10.403 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0
10 2.412 41.483 10.391 1 T 1.063e+06 0.00e+00 a 0 0 0 0 0
11 1.157 30.054 10.370 1 T 9.363e+05 0.00e+00 a 0 0 0 0 0
12 0.795 27.258 10.391 1 T 1.104e+06 0.00e+00 a 0 0 0 0 0
13 8.401 70.152 10.359 1 T 9.434e+05 0.00e+00 a 0 0 0 0 0
14 4.569 56.908 10.353 1 T 1.048e+06 0.00e+00 a 0 0 0 0 0
15 1.601 28.997 10.365 1 T 9.776e+05 0.00e+00 a 0 0 0 0 0
16 1.568 31.286 10.233 1 T 9.925e+05 0.00e+00 a 0 0 0 0 0
17 0.652 25.225 10.237 1 T 1.234e+06 0.00e+00 a 0 0 0 0 0
18 4.071 54.760 10.217 1 T 9.963e+05 0.00e+00 a 0 0 0 0 0
19 4.929 51.903 10.216 1 T 9.952e+05 0.00e+00 a 0 0 0 0 0
20 3.498 64.698 10.178 1 T 9.116e+05 0.00e+00 a 0 0 0 0 0
21 1.600 31.361 10.176 1 T 1.010e+06 0.00e+00 a 0 0 0 0 0
22 4.664 57.838 10.148 1 T 1.441e+06 0.00e+00 a 0 0 0 0 0
23 6.733 52.629 10.159 1 T 1.059e+06 0.00e+00 a 0 0 0 0 0
24 3.405 42.091 10.156 1 T 9.716e+05 0.00e+00 a 0 0 0 0 0
25 1.999 32.408 10.127 1 T 1.086e+06 0.00e+00 a 0 0 0 0 0
26 0.722 68.803 10.099 1 T 9.143e+05 0.00e+00 a 0 0 0 0 0
27 5.070 51.364 10.090 1 T 1.203e+06 0.00e+00 a 0 0 0 0 0
28 -0.085 40.017 10.083 1 T 9.079e+05 0.00e+00 a 0 0 0 0 0
29 2.317 40.562 10.062 1 T 9.346e+05 0.00e+00 a 0 0 0 0 0
30 0.698 25.243 10.070 1 T 1.217e+06 0.00e+00 a 0 0 0 0 0
31 4.737 43.794 10.041 1 T 9.744e+05 0.00e+00 a 0 0 0 0 0
32 1.297 22.561 10.024 1 T 1.422e+06 0.00e+00 a 0 0 0 0 0
33 1.844 27.019 10.013 1 T 1.175e+06 0.00e+00 a 0 0 0 0 0
34 5.300 13.849 10.020 1 T 8.447e+05 0.00e+00 a 0 0 0 0 0
35 1.363 18.553 9.985 1 T 9.764e+05 0.00e+00 a 0 0 0 0 0
36 3.922 55.998 9.877 1 T 1.135e+06 0.00e+00 a 0 0 0 0 0
37 4.348 50.639 9.867 1 T 9.365e+05 0.00e+00 a 0 0 0 0 0
38 1.078 20.813 9.861 1 T 1.123e+06 0.00e+00 a 0 0 0 0 0
39 4.702 55.647 9.849 1 T 1.627e+06 0.00e+00 a 0 0 0 0 0
40 1.484 42.463 9.847 1 T 9.549e+05 0.00e+00 a 0 0 0 0 0
41 4.443 60.447 9.803 1 T 1.740e+06 0.00e+00 a 0 0 0 0 0
42 5.230 51.417 9.795 1 T 1.044e+06 0.00e+00 a 0 0 0 0 0
43 1.796 33.358 9.779 1 T 1.211e+06 0.00e+00 a 0 0 0 0 0
44 0.564 15.501 9.791 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0
45 0.961 41.228 9.770 1 T 9.232e+05 0.00e+00 a 0 0 0 0 0
46 1.377 30.284 9.751 1 T 9.111e+05 0.00e+00 a 0 0 0 0 0
47 0.826 26.491 9.764 1 T 1.288e+06 0.00e+00 a 0 0 0 0 0
48 2.054 32.839 9.732 1 T 1.417e+06 0.00e+00 a 0 0 0 0 0
49 3.187 30.660 9.745 1 T 8.813e+05 0.00e+00 a 0 0 0 0 0
50 0.884 28.730 9.736 1 T 9.657e+05 0.00e+00 a 0 0 0 0 0
51 1.406 30.403 9.702 1 T 9.503e+05 0.00e+00 a 0 0 0 0 0
52 1.031 23.869 9.688 1 T 1.001e+06 0.00e+00 a 0 0 0 0 0
53 0.790 15.853 9.684 1 T 9.024e+05 0.00e+00 a 0 0 0 0 0
54 3.435 58.279 9.668 1 T 1.041e+06 0.00e+00 a 0 0 0 0 0
55 5.994 57.351 9.672 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0
56 5.480 54.232 9.669 1 T 1.023e+06 0.00e+00 a 0 0 0 0 0
57 5.283 55.369 9.630 1 T 1.265e+06 0.00e+00 a 0 0 0 0 0
58 0.644 45.709 9.627 1 T 8.752e+05 0.00e+00 a 0 0 0 0 0
59 3.588 43.717 9.644 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0
60 4.260 61.741 9.624 1 T 1.099e+06 0.00e+00 a 0 0 0 0 0
61 1.962 40.514 9.604 1 T 1.298e+06 0.00e+00 a 0 0 0 0 0
62 0.403 22.560 9.621 1 T 1.173e+06 0.00e+00 a 0 0 0 0 0
63 0.542 32.642 9.582 1 T 9.148e+05 0.00e+00 a 0 0 0 0 0
64 0.516 26.432 9.584 1 T 1.053e+06 0.00e+00 a 0 0 0 0 0
65 5.917 54.164 9.553 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0
66 1.650 39.192 9.557 1 T 9.678e+05 0.00e+00 a 0 0 0 0 0
67 6.727 35.894 9.557 1 T 1.019e+06 0.00e+00 a 0 0 0 0 0
68 1.929 17.406 9.559 1 T 9.809e+05 0.00e+00 a 0 0 0 0 0
69 1.944 17.476 9.516 1 T 9.371e+05 0.00e+00 a 0 0 0 0 0
70 3.658 43.382 9.503 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0
71 1.399 61.471 9.455 1 T 9.068e+05 0.00e+00 a 0 0 0 0 0
72 2.845 41.029 9.455 1 T 1.977e+06 0.00e+00 a 0 0 0 0 0
73 1.360 23.380 9.463 1 T 1.168e+06 0.00e+00 a 0 0 0 0 0
74 4.778 61.503 9.448 1 T 1.411e+06 0.00e+00 a 0 0 0 0 0
75 1.321 23.669 9.437 1 T 1.210e+06 0.00e+00 a 0 0 0 0 0
76 3.659 43.238 9.412 1 T 9.842e+05 0.00e+00 a 0 0 0 0 0
77 0.668 18.009 9.418 1 T 1.110e+06 0.00e+00 a 0 0 0 0 0
78 5.163 36.612 9.381 1 T 8.931e+05 0.00e+00 a 0 0 0 0 0
79 0.593 18.245 9.403 1 T 1.167e+06 0.00e+00 a 0 0 0 0 0
80 1.684 54.429 9.311 1 T 1.095e+06 0.00e+00 a 0 0 0 0 0
81 4.406 63.105 9.301 1 T 9.459e+05 0.00e+00 a 0 0 0 0 0
82 3.951 52.527 9.289 1 T 9.546e+05 0.00e+00 a 0 0 0 0 0
83 7.140 39.280 9.269 1 T 1.046e+06 0.00e+00 a 0 0 0 0 0
84 -0.008 34.067 9.270 1 T 9.783e+05 0.00e+00 a 0 0 0 0 0
85 1.690 54.174 9.214 1 T 1.077e+06 0.00e+00 a 0 0 0 0 0
86 1.573 7.843 9.228 1 T 8.598e+05 0.00e+00 a 0 0 0 0 0
87 2.484 43.757 9.185 1 T 1.080e+06 0.00e+00 a 0 0 0 0 0
88 0.672 30.793 9.203 1 T 1.039e+06 0.00e+00 a 0 0 0 0 0
89 1.983 47.059 9.159 1 T 9.198e+05 0.00e+00 a 0 0 0 0 0
90 1.716 42.243 9.166 1 T 1.291e+06 0.00e+00 a 0 0 0 0 0
91 -0.913 23.159 9.164 1 T 1.106e+06 0.00e+00 a 0 0 0 0 0
92 3.898 67.958 9.137 1 T 9.291e+05 0.00e+00 a 0 0 0 0 0
93 2.734 52.824 9.145 1 T 1.033e+06 0.00e+00 a 0 0 0 0 0
94 1.844 44.317 9.143 1 T 9.281e+05 0.00e+00 a 0 0 0 0 0
95 4.757 44.207 9.142 1 T 8.885e+05 0.00e+00 a 0 0 0 0 0
96 2.229 35.550 9.148 1 T 2.366e+06 0.00e+00 a 0 0 0 0 0
97 -0.883 23.096 9.151 1 T 1.122e+06 0.00e+00 a 0 0 0 0 0
98 1.930 55.064 9.134 1 T 1.183e+06 0.00e+00 a 0 0 0 0 0
99 5.799 54.895 9.111 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0
100 2.312 54.445 9.126 1 T 9.192e+05 0.00e+00 a 0 0 0 0 0
101 1.673 53.888 9.128 1 T 1.069e+06 0.00e+00 a 0 0 0 0 0
102 2.679 52.600 9.121 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0
103 2.616 44.344 9.124 1 T 9.799e+05 0.00e+00 a 0 0 0 0 0
104 1.942 41.263 9.119 1 T 1.174e+06 0.00e+00 a 0 0 0 0 0
105 4.087 44.578 9.101 1 T 1.469e+06 0.00e+00 a 0 0 0 0 0
106 1.604 14.538 9.105 1 T 9.534e+05 0.00e+00 a 0 0 0 0 0
107 3.571 65.613 9.072 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0
108 1.628 53.591 9.077 1 T 1.048e+06 0.00e+00 a 0 0 0 0 0
109 5.686 52.319 9.071 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0
110 4.501 70.774 9.053 1 T 1.027e+06 0.00e+00 a 0 0 0 0 0
111 3.529 65.702 9.047 1 T 1.041e+06 0.00e+00 a 0 0 0 0 0
112 6.210 53.209 9.055 1 T 1.168e+06 0.00e+00 a 0 0 0 0 0
113 4.211 65.467 9.017 1 T 9.125e+05 0.00e+00 a 0 0 0 0 0
114 4.942 60.821 9.021 1 T 1.606e+06 0.00e+00 a 0 0 0 0 0
115 5.494 51.410 9.020 1 T 9.427e+05 0.00e+00 a 0 0 0 0 0
116 3.600 44.212 9.017 1 T 1.268e+06 0.00e+00 a 0 0 0 0 0
117 1.911 36.156 9.019 1 T 2.058e+06 0.00e+00 a 0 0 0 0 0
118 0.816 41.446 8.997 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0
119 2.260 63.367 8.979 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0
120 5.753 57.178 8.973 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0
121 6.936 38.894 8.977 1 T 1.081e+06 0.00e+00 a 0 0 0 0 0
122 2.622 37.357 8.968 1 T 1.007e+06 0.00e+00 a 0 0 0 0 0
123 0.313 60.142 8.959 1 T 8.869e+05 0.00e+00 a 0 0 0 0 0
124 3.795 56.358 8.949 1 T 2.766e+06 0.00e+00 a 0 0 0 0 0
125 7.226 49.834 8.942 1 T 1.065e+06 0.00e+00 a 0 0 0 0 0
126 0.785 41.350 8.945 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0
127 -0.580 19.941 8.940 1 T 1.061e+06 0.00e+00 a 0 0 0 0 0
128 4.835 52.641 8.929 1 T 4.436e+06 0.00e+00 a 0 0 0 0 0
129 4.814 41.095 8.917 1 T 9.958e+05 0.00e+00 a 0 0 0 0 0
130 -0.145 19.938 8.916 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0
131 4.527 53.652 8.902 1 T 6.144e+06 0.00e+00 a 0 0 0 0 0
132 1.548 44.628 8.912 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0
133 1.292 42.770 8.904 1 T 1.133e+06 0.00e+00 a 0 0 0 0 0
134 2.953 38.392 8.895 1 T 1.034e+06 0.00e+00 a 0 0 0 0 0
135 2.586 37.852 8.897 1 T 1.003e+06 0.00e+00 a 0 0 0 0 0
136 0.971 14.304 8.889 1 T 1.140e+06 0.00e+00 a 0 0 0 0 0
137 2.310 55.776 8.880 1 T 1.130e+06 0.00e+00 a 0 0 0 0 0
138 7.213 49.948 8.881 1 T 1.107e+06 0.00e+00 a 0 0 0 0 0
139 0.953 14.361 8.876 1 T 1.198e+06 0.00e+00 a 0 0 0 0 0
140 2.474 69.815 8.856 1 T 9.853e+05 0.00e+00 a 0 0 0 0 0
141 4.608 62.228 8.847 1 T 2.535e+06 0.00e+00 a 0 0 0 0 0
142 4.270 61.905 8.850 1 T 2.898e+06 0.00e+00 a 0 0 0 0 0
143 1.579 41.544 8.851 1 T 1.815e+06 0.00e+00 a 0 0 0 0 0
144 2.779 29.266 8.841 1 T 1.005e+06 0.00e+00 a 0 0 0 0 0
145 1.258 24.975 8.848 1 T 3.243e+06 0.00e+00 a 0 0 0 0 0
146 -0.137 20.104 8.855 1 T 1.170e+06 0.00e+00 a 0 0 0 0 0
147 -0.721 13.918 8.854 1 T 9.675e+05 0.00e+00 a 0 0 0 0 0
148 1.847 62.504 8.838 1 T 9.768e+05 0.00e+00 a 0 0 0 0 0
149 4.645 62.126 8.827 1 T 2.527e+06 0.00e+00 a 0 0 0 0 0
150 2.549 38.097 8.832 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0
151 1.570 34.305 8.814 1 T 1.591e+06 0.00e+00 a 0 0 0 0 0
152 1.027 30.667 8.825 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0
153 4.451 60.372 8.791 1 T 2.749e+06 0.00e+00 a 0 0 0 0 0
154 4.787 50.281 8.792 1 T 2.731e+06 0.00e+00 a 0 0 0 0 0
155 0.743 40.955 8.803 1 T 9.917e+05 0.00e+00 a 0 0 0 0 0
156 1.389 18.974 8.792 1 T 2.596e+06 0.00e+00 a 0 0 0 0 0
157 0.553 13.847 8.813 1 T 1.427e+06 0.00e+00 a 0 0 0 0 0
158 -0.212 13.685 8.793 1 T 9.532e+05 0.00e+00 a 0 0 0 0 0
159 2.074 53.112 8.784 1 T 1.095e+06 0.00e+00 a 0 0 0 0 0
160 5.052 48.755 8.772 1 T 1.561e+06 0.00e+00 a 0 0 0 0 0
161 0.919 38.380 8.764 1 T 9.638e+05 0.00e+00 a 0 0 0 0 0
162 1.952 30.904 8.786 1 T 3.890e+06 0.00e+00 a 0 0 0 0 0
163 0.718 25.137 8.776 1 T 4.013e+06 0.00e+00 a 0 0 0 0 0
164 5.359 11.269 8.785 1 T 1.113e+06 0.00e+00 a 0 0 0 0 0
165 4.591 67.775 8.764 1 T 1.049e+06 0.00e+00 a 0 0 0 0 0
166 1.837 62.381 8.742 1 T 9.739e+05 0.00e+00 a 0 0 0 0 0
167 4.846 60.807 8.760 1 T 1.803e+06 0.00e+00 a 0 0 0 0 0
168 1.825 58.104 8.743 1 T 9.517e+05 0.00e+00 a 0 0 0 0 0
169 3.969 57.891 8.753 1 T 3.669e+06 0.00e+00 a 0 0 0 0 0
170 2.953 53.080 8.745 1 T 9.930e+05 0.00e+00 a 0 0 0 0 0
171 1.475 39.311 8.746 1 T 1.129e+06 0.00e+00 a 0 0 0 0 0
172 1.515 36.485 8.751 1 T 9.988e+05 0.00e+00 a 0 0 0 0 0
173 1.028 30.775 8.764 1 T 1.169e+06 0.00e+00 a 0 0 0 0 0
174 1.708 28.606 8.758 1 T 4.598e+06 0.00e+00 a 0 0 0 0 0
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176 5.461 56.324 8.737 1 T 1.951e+06 0.00e+00 a 0 0 0 0 0
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178 1.789 57.782 8.710 1 T 1.022e+06 0.00e+00 a 0 0 0 0 0
179 0.125 31.864 8.697 1 T 9.292e+05 0.00e+00 a 0 0 0 0 0
180 5.458 70.413 8.673 1 T 9.146e+05 0.00e+00 a 0 0 0 0 0
181 5.861 54.423 8.674 1 T 9.361e+05 0.00e+00 a 0 0 0 0 0
182 6.819 51.312 8.682 1 T 9.963e+05 0.00e+00 a 0 0 0 0 0
183 3.472 71.425 8.662 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0
184 4.715 61.813 8.666 1 T 2.341e+06 0.00e+00 a 0 0 0 0 0
185 8.359 55.782 8.656 1 T 1.132e+06 0.00e+00 a 0 0 0 0 0
186 4.514 68.883 8.631 1 T 9.665e+05 0.00e+00 a 0 0 0 0 0
187 7.084 51.477 8.636 1 T 9.033e+05 0.00e+00 a 0 0 0 0 0
188 6.739 50.999 8.627 1 T 9.871e+05 0.00e+00 a 0 0 0 0 0
189 2.079 39.696 8.621 1 T 1.346e+06 0.00e+00 a 0 0 0 0 0
190 1.784 52.356 8.616 1 T 9.549e+05 0.00e+00 a 0 0 0 0 0
191 3.441 48.853 8.592 1 T 9.807e+05 0.00e+00 a 0 0 0 0 0
192 2.125 44.235 8.598 1 T 8.982e+05 0.00e+00 a 0 0 0 0 0
193 2.153 44.197 8.603 1 T 8.868e+05 0.00e+00 a 0 0 0 0 0
194 4.881 65.052 8.578 1 T 9.708e+05 0.00e+00 a 0 0 0 0 0
195 7.064 51.407 8.585 1 T 8.977e+05 0.00e+00 a 0 0 0 0 0
196 2.968 31.517 8.583 1 T 1.156e+06 0.00e+00 a 0 0 0 0 0
197 3.154 56.807 8.555 1 T 9.154e+05 0.00e+00 a 0 0 0 0 0
198 3.412 52.953 8.559 1 T 1.549e+06 0.00e+00 a 0 0 0 0 0
199 4.001 44.024 8.549 1 T 1.770e+06 0.00e+00 a 0 0 0 0 0
200 6.830 36.255 8.546 1 T 9.715e+05 0.00e+00 a 0 0 0 0 0
201 3.510 28.693 8.563 1 T 9.702e+05 0.00e+00 a 0 0 0 0 0
202 1.509 46.490 8.536 1 T 1.061e+06 0.00e+00 a 0 0 0 0 0
203 3.764 69.388 8.503 1 T 1.166e+06 0.00e+00 a 0 0 0 0 0
204 3.603 66.965 8.513 1 T 1.087e+06 0.00e+00 a 0 0 0 0 0
205 3.184 56.874 8.507 1 T 9.535e+05 0.00e+00 a 0 0 0 0 0
206 0.875 42.174 8.496 1 T 9.796e+05 0.00e+00 a 0 0 0 0 0
207 3.190 39.711 8.515 1 T 1.154e+06 0.00e+00 a 0 0 0 0 0
208 7.229 38.991 8.506 1 T 8.641e+05 0.00e+00 a 0 0 0 0 0
209 5.458 50.341 8.473 1 T 1.368e+06 0.00e+00 a 0 0 0 0 0
210 3.524 42.207 8.480 1 T 9.970e+05 0.00e+00 a 0 0 0 0 0
211 2.827 37.447 8.489 1 T 1.249e+06 0.00e+00 a 0 0 0 0 0
212 3.761 69.463 8.451 1 T 1.255e+06 0.00e+00 a 0 0 0 0 0
213 3.994 62.878 8.464 1 T 3.533e+06 0.00e+00 a 0 0 0 0 0
214 3.198 56.894 8.455 1 T 9.462e+05 0.00e+00 a 0 0 0 0 0
215 3.706 48.805 8.463 1 T 9.341e+05 0.00e+00 a 0 0 0 0 0
216 3.756 45.068 8.467 1 T 1.501e+06 0.00e+00 a 0 0 0 0 0
217 1.237 35.136 8.459 1 T 9.274e+05 0.00e+00 a 0 0 0 0 0
218 0.747 18.526 8.450 1 T 1.870e+06 0.00e+00 a 0 0 0 0 0
219 3.610 66.680 8.429 1 T 1.147e+06 0.00e+00 a 0 0 0 0 0
220 1.449 41.294 8.424 1 T 1.544e+06 0.00e+00 a 0 0 0 0 0
221 3.820 59.887 8.399 1 T 2.079e+06 0.00e+00 a 0 0 0 0 0
222 4.325 57.780 8.396 1 T 4.349e+06 0.00e+00 a 0 0 0 0 0
223 -0.525 37.791 8.403 1 T 8.255e+05 0.00e+00 a 0 0 0 0 0
224 1.470 26.136 8.417 1 T 4.405e+06 0.00e+00 a 0 0 0 0 0
225 0.847 14.742 8.407 1 T 1.268e+06 0.00e+00 a 0 0 0 0 0
226 4.187 70.529 8.379 1 T 1.002e+06 0.00e+00 a 0 0 0 0 0
227 5.519 57.885 8.390 1 T 1.315e+06 0.00e+00 a 0 0 0 0 0
228 3.225 56.870 8.386 1 T 9.427e+05 0.00e+00 a 0 0 0 0 0
229 6.527 49.613 8.377 1 T 9.301e+05 0.00e+00 a 0 0 0 0 0
230 2.859 41.182 8.370 1 T 3.773e+06 0.00e+00 a 0 0 0 0 0
231 1.261 34.997 8.386 1 T 9.580e+05 0.00e+00 a 0 0 0 0 0
232 2.893 33.883 8.387 1 T 9.743e+05 0.00e+00 a 0 0 0 0 0
233 -0.263 21.424 8.382 1 T 1.211e+06 0.00e+00 a 0 0 0 0 0
234 0.717 14.112 8.388 1 T 1.254e+06 0.00e+00 a 0 0 0 0 0
235 1.213 13.219 8.377 1 T 9.021e+05 0.00e+00 a 0 0 0 0 0
236 5.565 52.611 8.358 1 T 1.049e+06 0.00e+00 a 0 0 0 0 0
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985 -0.650 19.531 1.997 1 T 1.487e+06 0.00e+00 a 0 0 0 0 0
986 5.443 57.735 1.981 1 T 1.548e+06 0.00e+00 a 0 0 0 0 0
987 6.762 36.603 1.981 1 T 9.089e+05 0.00e+00 a 0 0 0 0 0
988 1.331 69.998 1.947 1 T 9.580e+05 0.00e+00 a 0 0 0 0 0
989 1.186 60.789 1.953 1 T 1.072e+06 0.00e+00 a 0 0 0 0 0
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991 1.259 49.465 1.942 1 T 9.947e+05 0.00e+00 a 0 0 0 0 0
992 3.724 27.047 1.950 1 T 1.701e+06 0.00e+00 a 0 0 0 0 0
993 3.773 63.581 1.930 1 T 3.583e+06 0.00e+00 a 0 0 0 0 0
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1022 2.609 65.939 1.725 1 T 9.258e+05 0.00e+00 a 0 0 0 0 0
1023 2.585 65.854 1.719 1 T 9.473e+05 0.00e+00 a 0 0 0 0 0
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1025 8.259 57.194 1.722 1 T 9.421e+05 0.00e+00 a 0 0 0 0 0
1026 3.358 43.781 1.730 1 T 1.971e+06 0.00e+00 a 0 0 0 0 0
1027 2.427 49.542 1.694 1 T 1.143e+06 0.00e+00 a 0 0 0 0 0
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1029 3.174 27.414 1.708 1 T 1.343e+06 0.00e+00 a 0 0 0 0 0
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1051 4.144 44.921 1.556 1 T 2.283e+06 0.00e+00 a 0 0 0 0 0
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1054 6.585 59.602 1.489 1 T 9.579e+05 0.00e+00 a 0 0 0 0 0
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1060 0.849 49.047 1.456 1 T 9.199e+05 0.00e+00 a 0 0 0 0 0
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1064 5.401 53.184 1.434 1 T 2.614e+06 0.00e+00 a 0 0 0 0 0
1065 0.515 41.330 1.422 1 T 1.317e+06 0.00e+00 a 0 0 0 0 0
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1068 7.083 43.304 1.411 1 T 1.058e+06 0.00e+00 a 0 0 0 0 0
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1079 3.954 7.294 1.283 1 T 1.026e+06 0.00e+00 a 0 0 0 0 0
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1081 3.520 70.552 1.250 1 T 1.641e+06 0.00e+00 a 0 0 0 0 0
1082 8.091 57.275 1.226 1 T 1.014e+06 0.00e+00 a 0 0 0 0 0
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1084 4.029 19.457 1.236 1 T 9.851e+05 0.00e+00 a 0 0 0 0 0
1085 4.800 50.395 1.205 1 T 4.621e+06 0.00e+00 a 0 0 0 0 0
1086 2.059 49.458 1.203 1 T 1.587e+06 0.00e+00 a 0 0 0 0 0
1087 3.537 67.442 1.184 1 T 1.737e+06 0.00e+00 a 0 0 0 0 0
1088 3.537 64.662 1.188 1 T 3.992e+06 0.00e+00 a 0 0 0 0 0
1089 -1.011 26.241 1.186 1 T 1.060e+06 0.00e+00 a 0 0 0 0 0
1090 8.884 53.588 1.148 1 T 9.950e+05 0.00e+00 a 0 0 0 0 0
1091 2.618 51.244 1.156 1 T 1.060e+06 0.00e+00 a 0 0 0 0 0
1092 3.794 44.490 1.165 1 T 2.218e+06 0.00e+00 a 0 0 0 0 0
1093 6.686 42.405 1.171 1 T 1.106e+06 0.00e+00 a 0 0 0 0 0
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1095 4.251 68.169 1.128 1 T 5.849e+06 0.00e+00 a 0 0 0 0 0
1096 7.380 56.973 1.132 1 T 1.070e+06 0.00e+00 a 0 0 0 0 0
1097 3.469 52.744 1.124 1 T 2.271e+06 0.00e+00 a 0 0 0 0 0
1098 4.218 61.487 1.102 1 T 6.429e+06 0.00e+00 a 0 0 0 0 0
1099 0.757 57.061 1.099 1 T 9.616e+05 0.00e+00 a 0 0 0 0 0
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1124 1.772 16.875 0.906 1 T 2.175e+06 0.00e+00 a 0 0 0 0 0
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1126 -0.343 61.128 0.878 1 T 8.730e+05 0.00e+00 a 0 0 0 0 0
1127 8.407 55.985 0.894 1 T 9.602e+05 0.00e+00 a 0 0 0 0 0
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1136 3.980 61.178 0.781 1 T 6.884e+06 0.00e+00 a 0 0 0 0 0
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1138 9.028 52.340 0.782 1 T 9.161e+05 0.00e+00 a 0 0 0 0 0
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1202 1.003 61.124 0.458 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0
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1224 1.380 63.077 0.330 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0
1225 6.404 53.516 0.331 1 T 1.270e+06 0.00e+00 a 0 0 0 0 0
1226 2.109 49.156 0.316 1 T 9.382e+05 0.00e+00 a 0 0 0 0 0
1227 4.512 40.624 0.332 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0
1228 0.939 38.194 0.329 1 T 1.404e+06 0.00e+00 a 0 0 0 0 0
1229 0.909 57.336 0.183 1 T 1.015e+06 0.00e+00 a 0 0 0 0 0
1230 9.123 7.883 0.173 1 T 9.155e+05 0.00e+00 a 0 0 0 0 0
1231 4.014 42.109 0.147 1 T 1.026e+06 0.00e+00 a 0 0 0 0 0
1232 6.248 49.391 0.119 1 T 9.895e+05 0.00e+00 a 0 0 0 0 0
1233 1.301 46.149 0.007 1 T 9.976e+05 0.00e+00 a 0 0 0 0 0
1234 0.934 59.129 -0.055 1 T 1.035e+06 0.00e+00 a 0 0 0 0 0
1235 0.500 39.753 -0.059 1 T 8.988e+05 0.00e+00 a 0 0 0 0 0
1236 3.196 52.151 -0.071 1 T 9.162e+05 0.00e+00 a 0 0 0 0 0
1237 0.860 33.337 -0.101 1 T 9.832e+05 0.00e+00 a 0 0 0 0 0
1238 1.566 18.254 -0.100 1 T 9.604e+05 0.00e+00 a 0 0 0 0 0
1239 4.882 39.691 -0.141 1 T 8.288e+05 0.00e+00 a 0 0 0 0 0
1240 0.773 45.613 -0.184 1 T 1.202e+06 0.00e+00 a 0 0 0 0 0
1241 1.647 17.995 -0.161 1 T 8.888e+05 0.00e+00 a 0 0 0 0 0
1242 1.397 31.174 -0.199 1 T 2.329e+06 0.00e+00 a 0 0 0 0 0
1243 1.889 34.994 -0.232 1 T 1.508e+06 0.00e+00 a 0 0 0 0 0
1244 5.538 51.537 -0.255 1 T 8.689e+05 0.00e+00 a 0 0 0 0 0
1245 3.815 52.129 -0.281 1 T 9.519e+05 0.00e+00 a 0 0 0 0 0
1246 6.976 39.867 -0.268 1 T 9.181e+05 0.00e+00 a 0 0 0 0 0
1247 1.379 36.461 -0.262 1 T 9.516e+05 0.00e+00 a 0 0 0 0 0
1248 5.285 55.013 -0.293 1 T 1.188e+06 0.00e+00 a 0 0 0 0 0
1249 6.596 51.576 -0.300 1 T 1.178e+06 0.00e+00 a 0 0 0 0 0
1250 4.777 54.694 -0.494 1 T 1.040e+06 0.00e+00 a 0 0 0 0 0
1251 1.927 32.092 -0.541 1 T 1.293e+06 0.00e+00 a 0 0 0 0 0
1252 5.522 55.959 -0.562 1 T 9.130e+05 0.00e+00 a 0 0 0 0 0
1253 7.215 52.807 -0.578 1 T 9.833e+05 0.00e+00 a 0 0 0 0 0
1254 1.947 38.055 -0.612 1 T 1.146e+06 0.00e+00 a 0 0 0 0 0
1255 3.176 66.151 -0.641 1 T 9.164e+05 0.00e+00 a 0 0 0 0 0
1256 1.132 19.880 -0.661 1 T 1.358e+06 0.00e+00 a 0 0 0 0 0
1257 3.940 63.105 -0.695 1 T 9.142e+05 0.00e+00 a 0 0 0 0 0
1258 4.513 60.625 -0.695 1 T 1.190e+06 0.00e+00 a 0 0 0 0 0
1259 0.512 16.276 -0.680 1 T 9.115e+05 0.00e+00 a 0 0 0 0 0
1260 3.973 63.038 -0.710 1 T 9.572e+05 0.00e+00 a 0 0 0 0 0
1261 4.520 60.586 -0.728 1 T 1.126e+06 0.00e+00 a 0 0 0 0 0
1262 5.101 51.981 -0.727 1 T 1.290e+06 0.00e+00 a 0 0 0 0 0
1263 2.475 35.272 -0.735 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0
1264 1.197 22.220 -0.730 1 T 1.513e+06 0.00e+00 a 0 0 0 0 0
1265 3.296 60.209 -0.753 1 T 1.251e+06 0.00e+00 a 0 0 0 0 0
1266 0.407 26.721 -0.768 1 T 1.655e+06 0.00e+00 a 0 0 0 0 0
1267 0.898 18.325 -0.757 1 T 1.569e+06 0.00e+00 a 0 0 0 0 0
1268 0.283 18.273 -0.775 1 T 9.947e+05 0.00e+00 a 0 0 0 0 0
1269 6.473 45.705 -0.786 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0
1270 5.239 7.814 -0.792 1 T 1.102e+06 0.00e+00 a 0 0 0 0 0
1271 4.086 55.060 -0.845 1 T 9.667e+05 0.00e+00 a 0 0 0 0 0
1272 2.888 40.819 -0.871 1 T 2.155e+06 0.00e+00 a 0 0 0 0 0
1273 1.052 18.516 -0.865 1 T 1.684e+06 0.00e+00 a 0 0 0 0 0
1274 5.926 15.554 -0.852 1 T 1.038e+06 0.00e+00 a 0 0 0 0 0
1275 4.139 54.742 -0.876 1 T 9.687e+05 0.00e+00 a 0 0 0 0 0
1276 1.313 19.771 -0.892 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0
1277 8.395 6.900 -0.935 1 T 9.154e+05 0.00e+00 a 0 0 0 0 0
1278 4.756 48.640 -0.950 1 T 9.264e+05 0.00e+00 a 0 0 0 0 0
1279 1.304 42.851 -0.968 1 T 8.786e+05 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-aliphatic . aliased 15 ppm . . . 4.76 . . 34347 1
stop_
save_