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 31046
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 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 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 HC
#INAME 2 C
#INAME 3 H
#SPECTRUM C13NOESY HC C H
#TOLERANCE 0.0200 0.5000 0.0300
1 7.524 132.919 1.225 1 T 9.561e+02 0.00e+00 a 0 0 0 0 0
2 7.524 132.919 0.388 1 T 3.369e+02 0.00e+00 a 0 0 0 0 0
3 7.524 132.919 0.200 1 T 3.011e+02 0.00e+00 a 0 0 0 0 0
4 7.524 132.919 1.845 1 T 2.113e+02 0.00e+00 a 0 0 0 0 0
5 7.524 132.919 2.677 1 T 2.417e+02 0.00e+00 a 0 0 0 0 0
6 7.524 132.919 3.176 1 T 4.260e+02 0.00e+00 a 0 0 0 0 0
7 7.524 132.919 3.350 1 T 4.197e+02 0.00e+00 a 0 0 0 0 0
8 7.524 132.919 5.089 1 T 4.008e+02 0.00e+00 a 0 0 0 0 0
9 7.524 132.919 6.328 1 T 3.168e+02 0.00e+00 a 0 0 0 0 0
10 7.524 132.919 7.001 1 T 8.503e+02 0.00e+00 a 0 0 0 0 0
11 7.524 132.919 8.892 1 T 3.409e+02 0.00e+00 a 0 0 0 0 0
12 7.524 132.919 9.894 1 T 2.470e+02 0.00e+00 a 0 0 0 0 0
13 7.524 132.919 9.195 1 T 2.229e+02 0.00e+00 a 0 0 0 0 0
14 7.524 132.919 5.491 1 T 2.220e+02 0.00e+00 a 0 0 0 0 0
15 7.524 132.919 12.334 1 T 1.823e+02 0.00e+00 a 0 0 0 0 0
16 7.524 132.919 0.803 1 T 2.044e+02 0.00e+00 a 0 0 0 0 0
17 7.424 130.755 2.340 1 T 1.599e+02 0.00e+00 a 0 0 0 0 0
18 7.424 130.755 1.878 1 T 3.154e+02 0.00e+00 a 0 0 0 0 0
19 7.424 130.755 3.172 1 T 1.111e+02 0.00e+00 a 0 0 0 0 0
20 7.424 130.755 1.240 1 T 1.385e+03 0.00e+00 a 0 0 0 0 0
21 7.079 128.323 1.215 1 T 3.389e+02 0.00e+00 a 0 0 0 0 0
22 7.079 128.323 0.688 1 T 1.959e+02 0.00e+00 a 0 0 0 0 0
23 7.424 130.755 0.727 1 T 3.286e+02 0.00e+00 a 0 0 0 0 0
24 7.424 130.755 0.167 1 T 5.037e+02 0.00e+00 a 0 0 0 0 0
25 7.079 128.323 0.147 1 T 5.874e+02 0.00e+00 a 0 0 0 0 0
26 7.182 120.084 3.120 1 T 5.512e+02 0.00e+00 a 0 0 0 0 0
27 7.182 120.084 3.255 1 T 3.621e+02 0.00e+00 a 0 0 0 0 0
28 7.262 133.043 7.926 1 T 1.061e+02 0.00e+00 a 0 0 0 0 0
29 7.262 133.043 8.817 1 T 1.059e+02 0.00e+00 a 0 0 0 0 0
34 7.262 133.043 2.866 1 T 1.754e+02 0.00e+00 a 0 0 0 0 0
35 7.262 133.043 3.329 1 T 2.226e+02 0.00e+00 a 0 0 0 0 0
36 7.262 133.043 4.258 1 T 1.479e+02 0.00e+00 a 0 0 0 0 0
37 7.262 133.043 1.311 1 T 2.032e+02 0.00e+00 a 0 0 0 0 0
38 7.209 126.593 10.387 1 T 6.448e+02 0.00e+00 a 0 0 0 0 0
39 7.209 126.593 9.063 1 T 1.473e+02 0.00e+00 a 0 0 0 0 0
40 7.209 126.593 2.842 1 T 2.245e+02 0.00e+00 a 0 0 0 0 0
41 7.209 126.593 3.258 1 T 2.243e+02 0.00e+00 a 0 0 0 0 0
42 7.209 126.593 3.583 1 T 1.808e+02 0.00e+00 a 0 0 0 0 0
43 7.209 126.593 4.224 1 T 2.020e+02 0.00e+00 a 0 0 0 0 0
44 7.209 126.593 4.900 1 T 1.145e+02 0.00e+00 a 0 0 0 0 0
45 7.209 126.593 2.152 1 T 4.746e+02 0.00e+00 a 0 0 0 0 0
46 7.209 126.593 0.599 1 T 4.670e+02 0.00e+00 a 0 0 0 0 0
47 7.209 126.593 1.082 1 T 2.069e+02 0.00e+00 a 0 0 0 0 0
49 6.191 114.126 10.387 1 T 2.152e+02 0.00e+00 a 0 0 0 0 0
50 6.191 114.126 7.208 1 T 3.407e+02 0.00e+00 a 0 0 0 0 0
51 6.191 114.126 6.779 1 T 4.901e+02 0.00e+00 a 0 0 0 0 0
52 6.191 114.125 0.518 1 T 4.933e+02 0.00e+00 a 0 0 0 0 0
53 6.710 122.774 2.845 1 T 1.854e+02 0.00e+00 a 0 0 0 0 0
54 6.710 122.774 4.673 1 T 5.385e+02 0.00e+00 a 0 0 0 0 0
55 6.710 122.774 0.614 1 T 3.198e+02 0.00e+00 a 0 0 0 0 0
56 6.710 122.774 1.106 1 T 1.110e+03 0.00e+00 a 0 0 0 0 0
57 6.714 122.774 1.392 1 T 5.805e+02 0.00e+00 a 0 0 0 0 0
58 6.710 122.774 2.610 1 T 1.784e+02 0.00e+00 a 0 0 0 0 0
59 6.710 122.774 6.192 1 T 5.274e+02 0.00e+00 a 0 0 0 0 0
60 6.710 122.774 7.206 1 T 3.175e+02 0.00e+00 a 0 0 0 0 0
61 6.714 122.774 9.062 1 T 1.693e+02 0.00e+00 a 0 0 0 0 0
62 6.714 122.774 10.458 1 T 7.296e+02 0.00e+00 a 0 0 0 0 0
64 6.780 120.930 1.318 1 T 3.302e+02 0.00e+00 a 0 0 0 0 0
65 7.043 133.511 2.638 1 T 6.495e+02 0.00e+00 a 0 0 0 0 0
66 7.043 133.511 3.022 1 T 5.811e+02 0.00e+00 a 0 0 0 0 0
67 7.043 133.511 2.089 1 T 4.854e+02 0.00e+00 a 0 0 0 0 0
68 7.043 133.511 1.682 1 T 3.937e+02 0.00e+00 a 0 0 0 0 0
69 7.043 133.511 1.454 1 T 5.090e+02 0.00e+00 a 0 0 0 0 0
70 7.043 133.511 0.391 1 T 1.069e+03 0.00e+00 a 0 0 0 0 0
71 7.043 133.511 0.619 1 T 6.631e+02 0.00e+00 a 0 0 0 0 0
72 7.043 133.511 1.009 1 T 3.837e+02 0.00e+00 a 0 0 0 0 0
73 7.043 133.511 6.463 1 T 2.672e+03 0.00e+00 a 0 0 0 0 0
74 6.463 118.215 7.043 1 T 2.773e+03 0.00e+00 a 0 0 0 0 0
75 7.043 133.511 4.057 1 T 3.283e+02 0.00e+00 a 0 0 0 0 0
76 7.043 133.511 4.415 1 T 3.743e+02 0.00e+00 a 0 0 0 0 0
77 7.043 133.511 5.282 1 T 3.541e+02 0.00e+00 a 0 0 0 0 0
78 7.043 133.511 3.581 1 T 1.964e+02 0.00e+00 a 0 0 0 0 0
79 7.043 133.511 4.849 1 T 4.049e+02 0.00e+00 a 0 0 0 0 0
80 7.043 133.511 8.419 1 T 2.134e+02 0.00e+00 a 0 0 0 0 0
81 7.043 133.511 9.465 1 T 3.471e+02 0.00e+00 a 0 0 0 0 0
82 7.043 133.511 9.245 1 T 1.757e+02 0.00e+00 a 0 0 0 0 0
83 6.463 118.215 9.295 1 T 5.976e+02 0.00e+00 a 0 0 0 0 0
84 6.463 118.215 9.042 1 T 1.742e+02 0.00e+00 a 0 0 0 0 0
85 6.463 118.215 8.389 1 T 4.830e+02 0.00e+00 a 0 0 0 0 0
86 6.463 118.215 7.456 1 T 1.976e+02 0.00e+00 a 0 0 0 0 0
87 6.463 118.215 7.941 1 T 2.635e+02 0.00e+00 a 0 0 0 0 0
88 6.463 118.215 0.394 1 T 1.600e+03 0.00e+00 a 0 0 0 0 0
89 6.463 118.215 0.594 1 T 9.290e+02 0.00e+00 a 0 0 0 0 0
90 6.463 118.215 0.951 1 T 1.461e+03 0.00e+00 a 0 0 0 0 0
91 6.463 118.215 1.408 1 T 7.208e+02 0.00e+00 a 0 0 0 0 0
92 6.463 118.215 1.730 1 T 9.379e+02 0.00e+00 a 0 0 0 0 0
93 6.463 118.215 2.109 1 T 1.484e+03 0.00e+00 a 0 0 0 0 0
94 6.463 118.215 2.696 1 T 4.121e+02 0.00e+00 a 0 0 0 0 0
95 6.463 118.215 3.044 1 T 3.044e+02 0.00e+00 a 0 0 0 0 0
96 6.463 118.215 5.338 1 T 2.187e+02 0.00e+00 a 0 0 0 0 0
97 6.463 118.215 3.928 1 T 2.591e+02 0.00e+00 a 0 0 0 0 0
98 6.463 118.215 3.709 1 T 1.792e+02 0.00e+00 a 0 0 0 0 0
99 6.515 113.163 9.139 1 T 2.204e+02 0.00e+00 a 0 0 0 0 0
100 6.515 113.163 7.909 1 T 1.099e+02 0.00e+00 a 0 0 0 0 0
101 6.515 113.163 5.747 1 T 2.413e+02 0.00e+00 a 0 0 0 0 0
102 6.515 113.163 1.444 1 T 1.159e+02 0.00e+00 a 0 0 0 0 0
103 6.515 113.163 1.982 1 T 1.333e+02 0.00e+00 a 0 0 0 0 0
104 6.515 113.163 2.369 1 T 1.769e+02 0.00e+00 a 0 0 0 0 0
105 6.515 113.163 2.971 1 T 2.082e+02 0.00e+00 a 0 0 0 0 0
106 6.515 113.163 3.177 1 T 2.819e+02 0.00e+00 a 0 0 0 0 0
107 7.001 126.321 2.972 1 T 3.565e+02 0.00e+00 a 0 0 0 0 0
108 7.001 126.321 3.178 1 T 2.296e+02 0.00e+00 a 0 0 0 0 0
109 7.001 126.321 1.442 1 T 2.089e+03 0.00e+00 a 0 0 0 0 0
110 7.001 126.321 3.721 1 T 4.906e+02 0.00e+00 a 0 0 0 0 0
111 7.001 126.321 4.450 1 T 1.640e+02 0.00e+00 a 0 0 0 0 0
112 7.001 126.321 4.862 1 T 1.709e+02 0.00e+00 a 0 0 0 0 0
113 7.001 126.321 6.516 1 T 1.606e+02 0.00e+00 a 0 0 0 0 0
114 7.001 126.321 6.354 1 T 1.226e+02 0.00e+00 a 0 0 0 0 0
115 7.001 126.321 8.713 1 T 1.855e+02 0.00e+00 a 0 0 0 0 0
116 7.001 126.321 9.138 1 T 9.503e+02 0.00e+00 a 0 0 0 0 0
117 5.745 121.943 6.514 1 T 2.254e+02 0.00e+00 a 0 0 0 0 0
120 5.745 121.943 3.162 1 T 1.269e+02 0.00e+00 a 0 0 0 0 0
121 5.745 121.943 2.954 1 T 1.295e+02 0.00e+00 a 0 0 0 0 0
122 5.745 121.943 2.098 1 T 1.428e+02 0.00e+00 a 0 0 0 0 0
123 5.745 121.943 1.768 1 T 1.183e+02 0.00e+00 a 0 0 0 0 0
124 5.745 121.943 1.321 1 T 2.246e+02 0.00e+00 a 0 0 0 0 0
125 5.745 121.943 0.686 1 T 4.235e+02 0.00e+00 a 0 0 0 0 0
126 5.745 121.943 0.334 1 T 1.688e+02 0.00e+00 a 0 0 0 0 0
127 5.745 121.943 -0.451 1 T 1.035e+02 0.00e+00 a 0 0 0 0 0
128 7.396 120.461 2.827 1 T 2.071e+02 0.00e+00 a 0 0 0 0 0
129 7.396 120.461 3.422 1 T 1.267e+02 0.00e+00 a 0 0 0 0 0
130 7.396 120.461 3.618 1 T 1.527e+02 0.00e+00 a 0 0 0 0 0
131 7.396 120.461 4.416 1 T 1.650e+02 0.00e+00 a 0 0 0 0 0
132 7.396 120.461 3.924 1 T 1.233e+02 0.00e+00 a 0 0 0 0 0
133 7.396 120.461 8.153 1 T 1.183e+02 0.00e+00 a 0 0 0 0 0
134 7.396 120.461 9.181 1 T 1.031e+02 0.00e+00 a 0 0 0 0 0
135 6.298 132.466 7.005 1 T 4.401e+02 0.00e+00 a 0 0 0 0 0
136 6.298 132.466 3.185 1 T 1.733e+02 0.00e+00 a 0 0 0 0 0
137 6.298 132.466 2.897 1 T 1.318e+02 0.00e+00 a 0 0 0 0 0
138 6.298 132.466 4.159 1 T 1.609e+02 0.00e+00 a 0 0 0 0 0
139 6.298 132.466 2.070 1 T 1.806e+02 0.00e+00 a 0 0 0 0 0
140 6.298 132.466 1.684 1 T 1.303e+02 0.00e+00 a 0 0 0 0 0
141 6.475 129.585 6.132 1 T 3.947e+02 0.00e+00 a 0 0 0 0 0
142 6.475 129.585 6.898 1 T 5.402e+02 0.00e+00 a 0 0 0 0 0
143 6.475 129.585 7.449 1 T 1.710e+02 0.00e+00 a 0 0 0 0 0
144 6.129 130.824 7.449 1 T 2.462e+02 0.00e+00 a 0 0 0 0 0
145 6.129 130.824 6.475 1 T 5.429e+02 0.00e+00 a 0 0 0 0 0
146 6.129 130.824 4.758 1 T 6.714e+02 0.00e+00 a 0 0 0 0 0
147 6.129 130.824 3.198 1 T 2.071e+02 0.00e+00 a 0 0 0 0 0
148 6.129 130.824 2.725 1 T 3.128e+02 0.00e+00 a 0 0 0 0 0
149 6.129 130.824 1.109 1 T 4.621e+02 0.00e+00 a 0 0 0 0 0
150 6.129 130.824 0.154 1 T 2.303e+02 0.00e+00 a 0 0 0 0 0
151 6.475 129.585 1.184 1 T 3.524e+02 0.00e+00 a 0 0 0 0 0
152 6.475 129.585 1.492 1 T 3.373e+02 0.00e+00 a 0 0 0 0 0
153 6.475 129.585 0.093 1 T 2.208e+02 0.00e+00 a 0 0 0 0 0
154 6.475 129.585 0.772 1 T 1.184e+02 0.00e+00 a 0 0 0 0 0
155 6.475 129.585 1.918 1 T 1.495e+02 0.00e+00 a 0 0 0 0 0
156 6.129 130.824 7.898 1 T 1.566e+02 0.00e+00 a 0 0 0 0 0
157 6.898 129.395 0.102 1 T 1.871e+02 0.00e+00 a 0 0 0 0 0
158 6.898 129.395 0.404 1 T 2.488e+02 0.00e+00 a 0 0 0 0 0
159 6.898 129.395 0.900 1 T 2.412e+02 0.00e+00 a 0 0 0 0 0
160 6.898 129.395 1.153 1 T 4.475e+02 0.00e+00 a 0 0 0 0 0
161 6.898 129.395 1.618 1 T 1.490e+02 0.00e+00 a 0 0 0 0 0
162 6.898 129.395 6.474 1 T 4.360e+02 0.00e+00 a 0 0 0 0 0
163 6.898 129.395 7.449 1 T 1.508e+02 0.00e+00 a 0 0 0 0 0
164 6.716 122.883 10.446 1 T 6.404e+02 0.00e+00 a 0 0 0 0 0
165 6.714 122.774 4.732 1 T 4.189e+02 0.00e+00 a 0 0 0 0 0
166 6.714 122.774 0.471 1 T 2.972e+02 0.00e+00 a 0 0 0 0 0
167 6.714 122.774 1.055 1 T 1.170e+03 0.00e+00 a 0 0 0 0 0
168 6.714 122.774 2.751 1 T 2.211e+02 0.00e+00 a 0 0 0 0 0
169 6.714 122.774 2.773 1 T 2.325e+02 0.00e+00 a 0 0 0 0 0
170 5.912 115.722 10.462 1 T 2.446e+02 0.00e+00 a 0 0 0 0 0
171 5.912 115.722 0.466 1 T 1.779e+02 0.00e+00 a 0 0 0 0 0
172 5.912 115.722 2.577 1 T 1.720e+02 0.00e+00 a 0 0 0 0 0
173 5.912 115.722 2.754 1 T 1.371e+02 0.00e+00 a 0 0 0 0 0
174 5.912 115.722 2.771 1 T 1.371e+02 0.00e+00 a 0 0 0 0 0
175 5.912 115.722 6.920 1 T 1.654e+02 0.00e+00 a 0 0 0 0 0
176 5.912 115.722 6.343 1 T 2.979e+02 0.00e+00 a 0 0 0 0 0
177 5.855 125.481 5.910 1 T 1.351e+03 0.00e+00 a 0 0 0 0 0
178 5.855 125.481 6.347 1 T 5.185e+02 0.00e+00 a 0 0 0 0 0
179 5.855 125.481 0.696 1 T 1.160e+02 0.00e+00 a 0 0 0 0 0
180 5.855 125.481 2.639 1 T 9.166e+01 0.00e+00 a 0 0 0 0 0
182 6.340 121.808 7.312 1 T 3.467e+02 0.00e+00 a 0 0 0 0 0
183 6.340 121.808 0.717 1 T 3.140e+02 0.00e+00 a 0 0 0 0 0
184 6.340 121.808 2.653 1 T 1.563e+02 0.00e+00 a 0 0 0 0 0
185 6.340 121.808 2.823 1 T 1.539e+02 0.00e+00 a 0 0 0 0 0
187 7.493 126.642 9.882 1 T 4.826e+02 0.00e+00 a 0 0 0 0 0
188 7.493 126.642 3.662 1 T 1.974e+02 0.00e+00 a 0 0 0 0 0
189 7.493 126.642 4.750 1 T 1.759e+02 0.00e+00 a 0 0 0 0 0
190 7.493 126.642 2.276 1 T 3.913e+02 0.00e+00 a 0 0 0 0 0
191 7.493 126.642 2.666 1 T 3.438e+02 0.00e+00 a 0 0 0 0 0
193 7.493 126.642 -0.143 1 T 2.478e+02 0.00e+00 a 0 0 0 0 0
194 7.493 126.642 8.454 1 T 1.382e+02 0.00e+00 a 0 0 0 0 0
195 7.493 126.642 9.383 1 T 1.074e+02 0.00e+00 a 0 0 0 0 0
196 6.446 114.468 9.885 1 T 2.854e+02 0.00e+00 a 0 0 0 0 0
197 6.446 114.468 7.044 1 T 5.067e+02 0.00e+00 a 0 0 0 0 0
198 6.440 114.412 5.889 1 T 2.383e+02 0.00e+00 a 0 0 0 0 0
199 6.446 114.468 5.883 1 T 2.333e+02 0.00e+00 a 0 0 0 0 0
200 6.446 114.468 0.317 1 T 2.857e+02 0.00e+00 a 0 0 0 0 0
201 6.446 114.468 0.678 1 T 1.846e+02 0.00e+00 a 0 0 0 0 0
202 6.446 114.468 2.679 1 T 1.743e+02 0.00e+00 a 0 0 0 0 0
203 7.312 119.700 6.347 1 T 3.348e+02 0.00e+00 a 0 0 0 0 0
204 6.340 121.808 5.911 1 T 3.841e+02 0.00e+00 a 0 0 0 0 0
205 7.312 119.700 2.647 1 T 4.142e+02 0.00e+00 a 0 0 0 0 0
206 7.312 119.700 2.770 1 T 4.107e+02 0.00e+00 a 0 0 0 0 0
207 7.312 119.700 0.067 1 T 1.218e+02 0.00e+00 a 0 0 0 0 0
208 7.312 119.700 0.712 1 T 2.284e+02 0.00e+00 a 0 0 0 0 0
209 7.312 119.700 1.412 1 T 1.365e+02 0.00e+00 a 0 0 0 0 0
210 6.340 121.808 5.856 1 T 3.731e+02 0.00e+00 a 0 0 0 0 0
211 7.270 131.913 5.713 1 T 2.704e+02 0.00e+00 a 0 0 0 0 0
212 7.270 131.913 2.894 1 T 3.343e+02 0.00e+00 a 0 0 0 0 0
213 7.270 131.913 3.240 1 T 3.574e+02 0.00e+00 a 0 0 0 0 0
214 7.270 131.913 1.307 1 T 3.704e+02 0.00e+00 a 0 0 0 0 0
215 7.270 131.913 0.469 1 T 2.052e+02 0.00e+00 a 0 0 0 0 0
216 7.270 131.913 0.928 1 T 1.623e+02 0.00e+00 a 0 0 0 0 0
217 7.270 131.913 4.241 1 T 1.994e+02 0.00e+00 a 0 0 0 0 0
219 7.117 129.229 1.346 1 T 7.149e+02 0.00e+00 a 0 0 0 0 0
220 7.117 129.229 0.952 1 T 2.795e+02 0.00e+00 a 0 0 0 0 0
221 7.117 129.229 2.999 1 T 2.148e+02 0.00e+00 a 0 0 0 0 0
222 7.117 129.229 6.741 1 T 5.518e+02 0.00e+00 a 0 0 0 0 0
223 7.117 129.229 7.420 1 T 1.006e+03 0.00e+00 a 0 0 0 0 0
224 6.866 127.141 0.100 1 T 4.270e+02 0.00e+00 a 0 0 0 0 0
225 6.864 127.141 1.196 1 T 5.635e+02 0.00e+00 a 0 0 0 0 0
226 6.864 127.141 1.410 1 T 3.769e+02 0.00e+00 a 0 0 0 0 0
227 6.863 127.141 3.886 1 T 2.771e+02 0.00e+00 a 0 0 0 0 0
228 6.610 132.930 2.837 1 T 7.959e+02 0.00e+00 a 0 0 0 0 0
229 6.610 132.930 3.085 1 T 7.210e+02 0.00e+00 a 0 0 0 0 0
230 6.610 132.930 0.809 1 T 8.475e+02 0.00e+00 a 0 0 0 0 0
231 6.610 132.930 1.010 1 T 6.343e+02 0.00e+00 a 0 0 0 0 0
232 6.610 132.930 1.524 1 T 7.055e+02 0.00e+00 a 0 0 0 0 0
233 6.610 132.930 4.916 1 T 6.500e+02 0.00e+00 a 0 0 0 0 0
234 6.610 132.930 8.533 1 T 4.567e+02 0.00e+00 a 0 0 0 0 0
235 6.467 118.031 7.049 1 T 2.100e+03 0.00e+00 a 0 0 0 0 0
245 6.610 132.930 9.064 1 T 2.577e+02 0.00e+00 a 0 0 0 0 0
246 6.466 118.251 4.911 1 T 6.489e+02 0.00e+00 a 0 0 0 0 0
247 6.466 118.251 2.833 1 T 3.791e+02 0.00e+00 a 0 0 0 0 0
248 6.466 118.251 3.083 1 T 2.900e+02 0.00e+00 a 0 0 0 0 0
249 6.971 131.874 6.324 1 T 7.748e+02 0.00e+00 a 0 0 0 0 0
250 6.971 131.874 7.478 1 T 5.942e+02 0.00e+00 a 0 0 0 0 0
251 6.971 131.874 5.849 1 T 3.587e+02 0.00e+00 a 0 0 0 0 0
252 6.971 131.874 5.355 1 T 3.664e+02 0.00e+00 a 0 0 0 0 0
253 6.971 131.874 4.507 1 T 3.033e+02 0.00e+00 a 0 0 0 0 0
254 6.971 131.874 2.579 1 T 5.162e+02 0.00e+00 a 0 0 0 0 0
255 6.971 131.874 2.422 1 T 6.028e+02 0.00e+00 a 0 0 0 0 0
256 6.971 131.874 1.197 1 T 3.047e+02 0.00e+00 a 0 0 0 0 0
257 6.971 131.874 1.608 1 T 1.971e+02 0.00e+00 a 0 0 0 0 0
258 6.971 131.874 0.442 1 T 2.129e+02 0.00e+00 a 0 0 0 0 0
259 6.971 131.874 8.947 1 T 2.461e+02 0.00e+00 a 0 0 0 0 0
260 6.971 131.874 8.441 1 T 1.824e+02 0.00e+00 a 0 0 0 0 0
261 6.306 129.201 5.773 1 T 2.566e+02 0.00e+00 a 0 0 0 0 0
262 6.306 129.201 6.973 1 T 1.561e+02 0.00e+00 a 0 0 0 0 0
263 5.748 128.951 6.306 1 T 1.812e+02 0.00e+00 a 0 0 0 0 0
264 6.307 129.201 5.748 1 T 2.507e+02 0.00e+00 a 0 0 0 0 0
265 6.307 129.201 5.849 1 T 2.029e+02 0.00e+00 a 0 0 0 0 0
271 6.854 132.326 8.930 1 T 2.271e+02 0.00e+00 a 0 0 0 0 0
272 6.854 132.326 2.558 1 T 1.808e+02 0.00e+00 a 0 0 0 0 0
273 6.854 132.326 2.985 1 T 2.021e+02 0.00e+00 a 0 0 0 0 0
274 6.854 132.326 2.080 1 T 1.391e+02 0.00e+00 a 0 0 0 0 0
275 6.868 118.298 2.557 1 T 1.111e+02 0.00e+00 a 0 0 0 0 0
276 6.446 114.468 -0.103 1 T 1.420e+02 0.00e+00 a 0 0 0 0 0
277 7.493 126.642 -0.103 1 T 2.066e+02 0.00e+00 a 0 0 0 0 0
278 6.446 114.468 7.492 1 T 1.356e+02 0.00e+00 a 0 0 0 0 0
279 7.044 126.008 -0.013 1 T 1.432e+02 0.00e+00 a 0 0 0 0 0
280 7.044 126.008 0.680 1 T 2.759e+02 0.00e+00 a 0 0 0 0 0
281 7.044 126.008 5.890 1 T 2.128e+02 0.00e+00 a 0 0 0 0 0
282 7.044 126.008 6.445 1 T 4.006e+02 0.00e+00 a 0 0 0 0 0
283 7.044 126.008 6.328 1 T 3.798e+02 0.00e+00 a 0 0 0 0 0
284 7.044 126.008 6.571 1 T 3.068e+02 0.00e+00 a 0 0 0 0 0
285 7.044 126.008 0.586 1 T 1.798e+02 0.00e+00 a 0 0 0 0 0
286 6.859 127.046 0.097 1 T 4.603e+02 0.00e+00 a 0 0 0 0 0
287 6.859 127.046 1.199 1 T 5.513e+02 0.00e+00 a 0 0 0 0 0
288 6.861 127.044 1.430 1 T 3.616e+02 0.00e+00 a 0 0 0 0 0
289 6.861 127.044 0.451 1 T 2.387e+02 0.00e+00 a 0 0 0 0 0
290 7.062 134.562 3.158 1 T 6.761e+02 0.00e+00 a 0 0 0 0 0
291 7.062 134.562 3.996 1 T 3.992e+02 0.00e+00 a 0 0 0 0 0
292 7.062 134.562 1.367 1 T 6.063e+02 0.00e+00 a 0 0 0 0 0
293 6.692 118.182 1.360 1 T 3.567e+02 0.00e+00 a 0 0 0 0 0
294 6.692 118.182 2.048 1 T 7.422e+02 0.00e+00 a 0 0 0 0 0
295 7.062 134.562 2.055 1 T 3.755e+02 0.00e+00 a 0 0 0 0 0
296 7.062 134.562 0.645 1 T 2.770e+02 0.00e+00 a 0 0 0 0 0
297 6.692 118.182 0.634 1 T 6.668e+02 0.00e+00 a 0 0 0 0 0
298 6.692 118.182 3.158 1 T 2.310e+02 0.00e+00 a 0 0 0 0 0
299 6.692 118.182 2.807 1 T 2.666e+02 0.00e+00 a 0 0 0 0 0
300 6.692 118.182 3.997 1 T 3.241e+02 0.00e+00 a 0 0 0 0 0
301 7.062 134.562 9.453 1 T 2.687e+02 0.00e+00 a 0 0 0 0 0
302 7.062 134.562 8.499 1 T 2.617e+02 0.00e+00 a 0 0 0 0 0
303 6.691 118.182 8.565 1 T 2.018e+02 0.00e+00 a 0 0 0 0 0
304 7.062 134.562 6.689 1 T 7.992e+02 0.00e+00 a 0 0 0 0 0
305 7.062 134.562 4.937 1 T 3.833e+02 0.00e+00 a 0 0 0 0 0
306 7.062 134.562 4.794 1 T 5.058e+02 0.00e+00 a 0 0 0 0 0
308 6.692 118.182 4.941 1 T 3.307e+02 0.00e+00 a 0 0 0 0 0
309 6.692 118.182 7.066 1 T 1.150e+03 0.00e+00 a 0 0 0 0 0
310 7.209 119.582 -0.076 1 T 2.196e+02 0.00e+00 a 0 0 0 0 0
311 7.210 119.582 0.555 1 T 5.243e+02 0.00e+00 a 0 0 0 0 0
312 7.210 119.582 1.957 1 T 1.942e+02 0.00e+00 a 0 0 0 0 0
313 7.210 119.582 3.655 1 T 1.082e+02 0.00e+00 a 0 0 0 0 0
315 7.209 126.489 0.557 1 T 5.336e+02 0.00e+00 a 0 0 0 0 0
316 7.209 126.593 -0.563 1 T 2.848e+02 0.00e+00 a 0 0 0 0 0
318 7.210 119.582 1.044 1 T 3.118e+02 0.00e+00 a 0 0 0 0 0
319 6.865 126.949 0.102 1 T 4.236e+02 0.00e+00 a 0 0 0 0 0
320 6.864 126.949 1.196 1 T 5.567e+02 0.00e+00 a 0 0 0 0 0
321 6.864 126.949 1.463 1 T 3.272e+02 0.00e+00 a 0 0 0 0 0
322 7.079 128.323 0.069 1 T 5.104e+02 0.00e+00 a 0 0 0 0 0
323 7.079 128.323 0.429 1 T 1.851e+02 0.00e+00 a 0 0 0 0 0
324 7.079 128.323 0.168 1 T 5.314e+02 0.00e+00 a 0 0 0 0 0
325 7.079 128.323 0.190 1 T 4.445e+02 0.00e+00 a 0 0 0 0 0
326 7.079 128.323 0.105 1 T 5.835e+02 0.00e+00 a 0 0 0 0 0
327 7.079 128.323 0.114 1 T 5.835e+02 0.00e+00 a 0 0 0 0 0
328 7.079 128.323 0.362 1 T 2.228e+02 0.00e+00 a 0 0 0 0 0
329 7.079 128.323 1.320 1 T 3.238e+02 0.00e+00 a 0 0 0 0 0
330 7.524 132.919 1.321 1 T 5.028e+02 0.00e+00 a 0 0 0 0 0
331 7.424 130.755 1.321 1 T 7.289e+02 0.00e+00 a 0 0 0 0 0
332 7.079 128.323 3.907 1 T 1.298e+02 0.00e+00 a 0 0 0 0 0
333 7.424 130.755 3.907 1 T 1.428e+02 0.00e+00 a 0 0 0 0 0
334 7.424 130.755 9.273 1 T 1.429e+02 0.00e+00 a 0 0 0 0 0
335 7.524 132.919 9.272 1 T 2.081e+02 0.00e+00 a 0 0 0 0 0
336 7.424 130.755 8.892 1 T 9.872e+01 0.00e+00 a 0 0 0 0 0
337 7.424 130.755 0.389 1 T 1.951e+02 0.00e+00 a 0 0 0 0 0
338 7.424 130.755 0.362 1 T 2.188e+02 0.00e+00 a 0 0 0 0 0
339 7.524 132.919 0.362 1 T 3.653e+02 0.00e+00 a 0 0 0 0 0
340 7.524 132.919 0.167 1 T 2.633e+02 0.00e+00 a 0 0 0 0 0
341 7.524 132.919 0.114 1 T 2.012e+02 0.00e+00 a 0 0 0 0 0
342 7.524 132.919 0.105 1 T 2.012e+02 0.00e+00 a 0 0 0 0 0
343 7.424 130.755 0.105 1 T 4.499e+02 0.00e+00 a 0 0 0 0 0
344 7.424 130.755 0.114 1 T 4.499e+02 0.00e+00 a 0 0 0 0 0
345 7.424 130.755 0.191 1 T 4.802e+02 0.00e+00 a 0 0 0 0 0
346 7.524 132.919 0.752 1 T 1.832e+02 0.00e+00 a 0 0 0 0 0
347 7.524 132.919 0.879 1 T 1.859e+02 0.00e+00 a 0 0 0 0 0
348 7.262 133.043 1.343 1 T 2.187e+02 0.00e+00 a 0 0 0 0 0
349 7.001 126.321 1.476 1 T 2.167e+03 0.00e+00 a 0 0 0 0 0
350 7.001 126.321 1.470 1 T 2.167e+03 0.00e+00 a 0 0 0 0 0
351 7.001 126.321 1.501 1 T 1.689e+03 0.00e+00 a 0 0 0 0 0
353 7.493 126.642 2.304 1 T 3.930e+02 0.00e+00 a 0 0 0 0 0
354 7.493 126.642 2.186 1 T 2.193e+02 0.00e+00 a 0 0 0 0 0
355 6.446 114.468 0.358 1 T 2.784e+02 0.00e+00 a 0 0 0 0 0
356 6.778 128.714 3.486 1 T 3.468e+02 0.00e+00 a 0 0 0 0 0
357 7.117 129.229 0.372 1 T 5.209e+02 0.00e+00 a 0 0 0 0 0
358 7.117 129.229 0.903 1 T 2.390e+02 0.00e+00 a 0 0 0 0 0
359 7.117 129.229 0.988 1 T 2.705e+02 0.00e+00 a 0 0 0 0 0
360 7.209 126.593 6.191 1 T 1.229e+02 0.00e+00 a 0 0 0 0 0
361 6.191 114.126 6.710 1 T 5.258e+02 0.00e+00 a 0 0 0 0 0
362 6.960 119.180 4.898 1 T 9.759e+01 0.00e+00 a 0 0 0 0 0
363 6.960 119.180 2.843 1 T 1.530e+02 0.00e+00 a 0 0 0 0 0
364 6.960 119.180 3.251 1 T 2.056e+02 0.00e+00 a 0 0 0 0 0
365 6.191 114.126 -0.554 1 T 1.191e+02 0.00e+00 a 0 0 0 0 0
366 7.209 126.593 0.519 1 T 5.217e+02 0.00e+00 a 0 0 0 0 0
367 6.960 119.180 0.519 1 T 1.458e+02 0.00e+00 a 0 0 0 0 0
368 6.960 119.180 0.599 1 T 1.154e+02 0.00e+00 a 0 0 0 0 0
369 6.191 114.126 2.842 1 T 1.178e+02 0.00e+00 a 0 0 0 0 0
370 6.191 114.126 7.985 1 T 9.436e+01 0.00e+00 a 0 0 0 0 0
371 6.191 114.125 0.598 1 T 3.274e+02 0.00e+00 a 0 0 0 0 0
372 6.961 119.180 3.465 1 T 1.903e+02 0.00e+00 a 0 0 0 0 0
374 7.117 129.229 0.434 1 T 5.412e+02 0.00e+00 a 0 0 0 0 0
375 7.117 129.229 0.492 1 T 3.928e+02 0.00e+00 a 0 0 0 0 0
376 7.117 129.229 0.306 1 T 3.117e+02 0.00e+00 a 0 0 0 0 0
377 7.118 129.320 7.404 1 T 1.031e+03 0.00e+00 a 0 0 0 0 0
378 7.118 129.320 6.726 1 T 5.049e+02 0.00e+00 a 0 0 0 0 0
379 7.118 129.320 6.202 1 T 1.870e+02 0.00e+00 a 0 0 0 0 0
380 7.117 129.257 3.373 1 T 8.890e+01 0.00e+00 a 0 0 0 0 0
381 7.117 129.229 0.337 1 T 4.302e+02 0.00e+00 a 0 0 0 0 0
382 6.778 128.714 0.042 1 T 2.714e+02 0.00e+00 a 0 0 0 0 0
383 6.778 128.714 0.800 1 T 7.029e+02 0.00e+00 a 0 0 0 0 0
384 6.778 128.714 0.918 1 T 8.579e+02 0.00e+00 a 0 0 0 0 0
385 6.778 128.714 1.292 1 T 2.659e+02 0.00e+00 a 0 0 0 0 0
386 6.778 128.714 3.234 1 T 1.156e+02 0.00e+00 a 0 0 0 0 0
387 7.117 129.229 6.777 1 T 5.413e+02 0.00e+00 a 0 0 0 0 0
388 7.062 134.562 8.585 1 T 2.305e+02 0.00e+00 a 0 0 0 0 0
389 6.863 127.122 0.462 1 T 2.234e+02 0.00e+00 a 0 0 0 0 0
390 7.021 130.932 0.485 1 T 4.140e+02 0.00e+00 a 0 0 0 0 0
391 7.021 130.932 0.363 1 T 2.563e+02 0.00e+00 a 0 0 0 0 0
392 7.021 130.932 0.191 1 T 2.839e+02 0.00e+00 a 0 0 0 0 0
393 7.021 130.932 0.166 1 T 3.651e+02 0.00e+00 a 0 0 0 0 0
394 7.021 130.932 0.106 1 T 3.807e+02 0.00e+00 a 0 0 0 0 0
395 7.021 130.932 0.114 1 T 3.807e+02 0.00e+00 a 0 0 0 0 0
396 7.021 130.932 1.229 1 T 4.429e+02 0.00e+00 a 0 0 0 0 0
397 7.021 130.932 1.612 1 T 2.361e+02 0.00e+00 a 0 0 0 0 0
398 7.021 130.932 2.053 1 T 2.637e+02 0.00e+00 a 0 0 0 0 0
399 7.021 130.932 2.260 1 T 2.817e+02 0.00e+00 a 0 0 0 0 0
400 7.021 130.932 3.872 1 T 3.100e+02 0.00e+00 a 0 0 0 0 0
401 7.021 130.932 6.295 1 T 4.873e+02 0.00e+00 a 0 0 0 0 0
402 7.021 130.932 7.435 1 T 5.198e+02 0.00e+00 a 0 0 0 0 0
403 6.298 132.466 0.502 1 T 1.894e+02 0.00e+00 a 0 0 0 0 0
404 7.423 129.466 0.023 1 T 1.152e+02 0.00e+00 a 0 0 0 0 0
405 7.423 129.466 0.105 1 T 1.059e+02 0.00e+00 a 0 0 0 0 0
406 7.423 129.466 0.728 1 T 9.144e+01 0.00e+00 a 0 0 0 0 0
407 7.423 129.466 1.173 1 T 2.150e+02 0.00e+00 a 0 0 0 0 0
408 7.423 129.466 1.385 1 T 1.050e+02 0.00e+00 a 0 0 0 0 0
410 7.423 129.466 2.691 1 T 1.756e+02 0.00e+00 a 0 0 0 0 0
411 7.423 129.466 2.859 1 T 1.399e+02 0.00e+00 a 0 0 0 0 0
412 7.423 129.466 3.350 1 T 9.859e+01 0.00e+00 a 0 0 0 0 0
413 7.423 129.466 3.740 1 T 1.803e+02 0.00e+00 a 0 0 0 0 0
414 7.423 129.466 4.094 1 T 2.718e+02 0.00e+00 a 0 0 0 0 0
415 7.423 129.466 8.394 1 T 2.487e+02 0.00e+00 a 0 0 0 0 0
416 6.858 127.059 7.418 1 T 2.862e+02 0.00e+00 a 0 0 0 0 0
417 6.868 127.059 6.329 1 T 2.728e+02 0.00e+00 a 0 0 0 0 0
418 6.868 127.059 3.876 1 T 2.603e+02 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 . 'not observed' 17.077 ppm . . . 4.7 . . 31046 2
2 . . C 13 C-aromatic . 'not observed' 30.004 ppm . . . 122 . . 31046 2
3 . . H 1 H . 'not observed' 17.077 ppm . . . 4.7 . . 31046 2
stop_
save_