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 30409
_Spectral_peak_list.ID 1
_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 1
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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
;
Peak list from NOESY spectrum analysed and sequentially assigned in CARA and subsequently all NOESY peaks were autoassigned using CYANA.
;
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 2
# INAME 1 1H
# INAME 2 1H
2 4.052 9.041 2 U 0.000e+00 0.00e+00 - 0 144 142 0
3 2.326 9.041 2 U 0.000e+00 0.00e+00 - 0 152 142 0
4 5.539 8.979 2 U 0.000e+00 0.00e+00 - 0 237 235 0
5 3.288 8.979 2 U 0.000e+00 0.00e+00 - 0 239 235 0
6 3.033 8.979 2 U 0.000e+00 0.00e+00 - 0 240 235 0
7 4.101 8.812 2 U 0.000e+00 0.00e+00 - 0 246 244 0
12 4.494 8.691 2 U 0.000e+00 0.00e+00 - 0 224 222 0
13 3.928 8.691 2 U 0.000e+00 0.00e+00 - 0 226 222 0
17 3.038 8.590 2 U 0.000e+00 0.00e+00 - 0 72 66 0
18 2.924 8.576 2 U 0.000e+00 0.00e+00 - 0 93 89 0
19 2.436 8.576 2 U 0.000e+00 0.00e+00 - 0 94 89 0
20 5.458 8.576 2 U 0.000e+00 0.00e+00 - 0 91 89 0
21 4.959 8.561 2 U 0.000e+00 0.00e+00 - 0 199 197 0
22 4.698 8.559 2 U 0.000e+00 0.00e+00 - 0 0 0 0
23 4.140 8.570 2 U 0.000e+00 0.00e+00 - 0 15 13 0
24 2.009 8.570 2 U 0.000e+00 0.00e+00 - 0 17 13 0
27 1.166 8.561 2 U 0.000e+00 0.00e+00 - 0 206 197 0
28 0.815 8.627 2 U 0.000e+00 0.00e+00 - 0 113 98 0
33 1.990 8.501 2 U 0.000e+00 0.00e+00 - 0 126 116 0
35 4.712 8.443 2 U 0.000e+00 0.00e+00 - 0 33 31 0
36 3.822 8.443 2 U 0.000e+00 0.00e+00 - 0 35 31 0
37 3.764 8.443 2 U 0.000e+00 0.00e+00 - 0 36 31 0
40 4.943 8.377 2 U 0.000e+00 0.00e+00 - 0 391 389 0
42 2.757 8.377 2 U 0.000e+00 0.00e+00 - 0 393 389 0
43 2.600 8.377 2 U 0.000e+00 0.00e+00 - 0 394 389 0
45 4.250 8.331 2 U 0.000e+00 0.00e+00 - 0 280 278 0
46 3.949 8.281 2 U 0.000e+00 0.00e+00 - 0 373 369 0
47 4.479 8.234 2 U 0.000e+00 0.00e+00 - 0 172 170 0
48 3.968 8.234 2 U 0.000e+00 0.00e+00 - 0 174 170 0
49 4.106 8.223 2 U 0.000e+00 0.00e+00 - 0 182 180 0
50 3.750 8.223 2 U 0.000e+00 0.00e+00 - 0 183 180 0
53 5.076 8.093 2 U 0.000e+00 0.00e+00 - 0 59 57 0
54 3.091 8.093 2 U 0.000e+00 0.00e+00 - 0 61 57 0
55 2.572 8.093 2 U 0.000e+00 0.00e+00 - 0 62 57 0
56 4.310 8.091 2 U 0.000e+00 0.00e+00 - 0 345 343 0
57 1.721 8.091 2 U 0.000e+00 0.00e+00 - 0 348 343 0
58 1.599 8.091 2 U 0.000e+00 0.00e+00 - 0 353 343 0
59 4.325 8.054 2 U 0.000e+00 0.00e+00 - 0 335 333 0
60 3.832 8.054 2 U 0.000e+00 0.00e+00 - 0 339 333 0
62 4.267 7.998 2 U 0.000e+00 0.00e+00 - 0 378 376 0
63 4.150 7.998 2 U 0.000e+00 0.00e+00 - 0 380 376 0
64 1.113 7.998 2 U 0.000e+00 0.00e+00 - 0 381 376 0
65 4.300 7.916 2 U 0.000e+00 0.00e+00 - 0 0 0 0
66 4.253 7.845 2 U 0.000e+00 0.00e+00 - 0 189 187 0
67 1.271 7.845 2 U 0.000e+00 0.00e+00 - 0 190 187 0
68 4.596 8.526 2 U 0.000e+00 0.00e+00 - 0 133 131 0
69 1.340 7.746 2 U 0.000e+00 0.00e+00 - 0 326 323 0
71 3.137 7.153 2 U 0.000e+00 0.00e+00 - 0 357 359 0
72 1.846 7.153 2 U 0.000e+00 0.00e+00 - 0 347 359 0
73 1.721 7.153 2 U 0.000e+00 0.00e+00 - 0 348 359 0
74 1.599 7.153 2 U 0.000e+00 0.00e+00 - 0 353 359 0
76 2.016 9.041 1 U 0.000e+00 0.00e+00 - 0 147 142 0
78 1.936 8.627 1 U 0.000e+00 0.00e+00 - 0 102 98 0
79 1.276 8.561 1 U 0.000e+00 0.00e+00 - 0 205 197 0
80 1.846 8.091 1 U 0.000e+00 0.00e+00 - 0 347 343 0
81 4.925 8.590 1 U 0.000e+00 0.00e+00 - 0 68 66 0
82 4.846 8.120 1 U 0.000e+00 0.00e+00 - 0 0 0 0
83 4.167 7.912 1 U 0.000e+00 0.00e+00 - 0 0 0 0
84 1.094 7.916 1 U 0.000e+00 0.00e+00 - 0 0 0 0
85 4.161 7.746 1 U 0.000e+00 0.00e+00 - 0 325 323 0
86 2.906 8.526 1 U 0.000e+00 0.00e+00 - 0 135 131 0
87 2.567 8.526 1 U 0.000e+00 0.00e+00 - 0 136 131 0
88 3.038 7.204 1 U 0.000e+00 0.00e+00 - 0 72 73 0
89 4.925 7.205 1 U 0.000e+00 0.00e+00 - 0 68 73 0
90 4.925 7.254 1 U 0.000e+00 0.00e+00 - 0 68 74 0
91 3.038 7.255 1 U 0.000e+00 0.00e+00 - 0 72 74 0
92 3.038 8.576 1 U 0.000e+00 0.00e+00 - 0 72 89 0
93 4.925 8.576 1 U 0.000e+00 0.00e+00 - 0 68 89 0
94 2.572 8.590 1 U 0.000e+00 0.00e+00 - 0 62 66 0
95 3.091 8.590 1 U 0.000e+00 0.00e+00 - 0 61 66 0
96 5.076 8.590 1 U 0.000e+00 0.00e+00 - 0 59 66 0
97 4.344 2.211 1 U 0.000e+00 0.00e+00 - 0 43 45 0
98 4.344 1.978 1 U 0.000e+00 0.00e+00 - 0 43 51 0
99 4.344 1.858 1 U 0.000e+00 0.00e+00 - 0 43 46 0
100 3.780 1.858 1 U 0.000e+00 0.00e+00 - 0 52 46 0
101 3.714 1.858 1 U 0.000e+00 0.00e+00 - 0 53 46 0
102 3.780 1.978 1 U 0.000e+00 0.00e+00 - 0 52 51 0
103 3.714 1.978 1 U 0.000e+00 0.00e+00 - 0 53 51 0
104 3.714 2.211 1 U 0.000e+00 0.00e+00 - 0 53 45 0
105 3.780 2.211 1 U 0.000e+00 0.00e+00 - 0 52 45 0
106 2.207 1.978 1 U 0.000e+00 0.00e+00 - 0 45 51 0
107 2.207 1.858 1 U 0.000e+00 0.00e+00 - 0 45 46 0
108 1.974 1.858 1 U 0.000e+00 0.00e+00 - 0 51 46 0
109 4.344 8.093 1 U 0.000e+00 0.00e+00 - 0 43 57 0
110 5.458 8.627 1 U 0.000e+00 0.00e+00 - 0 91 98 0
112 4.243 8.627 1 U 0.000e+00 0.00e+00 - 0 100 98 0
113 2.924 8.627 1 U 0.000e+00 0.00e+00 - 0 93 98 0
114 2.436 8.627 1 U 0.000e+00 0.00e+00 - 0 94 98 0
117 1.535 8.561 1 U 0.000e+00 0.00e+00 - 0 211 197 0
118 1.639 8.561 1 U 0.000e+00 0.00e+00 - 0 203 197 0
119 1.749 8.501 1 U 0.000e+00 0.00e+00 - 0 121 116 0
121 1.124 8.691 1 U 0.000e+00 0.00e+00 - 0 227 222 0
122 1.351 8.333 1 U 0.000e+00 0.00e+00 - 0 0 0 0
123 2.492 8.331 1 U 0.000e+00 0.00e+00 - 0 283 278 0
124 1.293 7.960 1 U 0.000e+00 0.00e+00 - 0 0 0 0
126 2.993 6.806 1 U 0.000e+00 0.00e+00 - 0 293 299 0
127 2.665 6.806 1 U 0.000e+00 0.00e+00 - 0 294 299 0
128 4.712 8.526 1 U 0.000e+00 0.00e+00 - 0 118 131 0
130 4.402 8.383 1 U 0.000e+00 0.00e+00 - 0 314 312 0
131 4.402 7.746 1 U 0.000e+00 0.00e+00 - 0 314 323 0
132 4.161 8.054 1 U 0.000e+00 0.00e+00 - 0 325 333 0
133 1.342 8.054 1 U 0.000e+00 0.00e+00 - 0 329 333 0
134 4.253 8.561 1 U 0.000e+00 0.00e+00 - 0 189 197 0
135 4.310 8.281 1 U 0.000e+00 0.00e+00 - 0 345 369 0
136 8.087 4.329 1 U 0.000e+00 0.00e+00 - 0 343 335 0
137 3.949 7.998 1 U 0.000e+00 0.00e+00 - 0 373 376 0
138 1.168 8.406 1 U 0.000e+00 0.00e+00 - 0 162 157 0
139 4.154 8.406 1 U 0.000e+00 0.00e+00 - 0 159 157 0
140 1.344 7.621 1 U 0.000e+00 0.00e+00 - 0 0 0 0
141 4.959 8.691 1 U 0.000e+00 0.00e+00 - 0 199 222 0
142 4.494 8.979 1 U 0.000e+00 0.00e+00 - 0 224 235 0
143 0.894 8.812 1 U 0.000e+00 0.00e+00 - 0 259 244 0
144 1.951 8.812 1 U 0.000e+00 0.00e+00 - 0 248 244 0
146 4.712 8.501 1 U 0.000e+00 0.00e+00 - 0 118 116 0
148 5.539 8.812 1 U 0.000e+00 0.00e+00 - 0 237 244 0
149 1.124 8.979 1 U 0.000e+00 0.00e+00 - 0 227 235 0
150 0.894 8.979 1 U 0.000e+00 0.00e+00 - 0 259 235 0
151 3.928 8.979 1 U 0.000e+00 0.00e+00 - 0 226 235 0
152 3.033 8.812 1 U 0.000e+00 0.00e+00 - 0 240 244 0
153 3.288 8.812 1 U 0.000e+00 0.00e+00 - 0 239 244 0
154 4.243 8.501 1 U 0.000e+00 0.00e+00 - 0 100 116 0
155 4.712 3.784 1 U 0.000e+00 0.00e+00 - 0 33 52 0
156 4.712 3.718 1 U 0.000e+00 0.00e+00 - 0 33 53 0
157 4.140 8.443 1 U 0.000e+00 0.00e+00 - 0 15 31 0
158 2.009 8.443 1 U 0.000e+00 0.00e+00 - 0 17 31 0
159 0.875 8.443 1 U 0.000e+00 0.00e+00 - 0 28 31 0
160 0.875 8.570 1 U 0.000e+00 0.00e+00 - 0 28 13 0
161 4.712 3.826 1 U 0.000e+00 0.00e+00 - 0 33 35 0
162 4.712 3.768 1 U 0.000e+00 0.00e+00 - 0 33 36 0
163 3.822 3.768 1 U 0.000e+00 0.00e+00 - 0 35 36 0
164 3.780 3.718 1 U 0.000e+00 0.00e+00 - 0 52 53 0
165 4.243 8.501 1 U 0.000e+00 0.00e+00 - 0 100 116 0
166 1.936 8.501 1 U 0.000e+00 0.00e+00 - 0 102 116 0
167 0.815 8.501 1 U 0.000e+00 0.00e+00 - 0 113 116 0
168 1.936 0.819 1 U 0.000e+00 0.00e+00 - 0 102 113 0
169 4.243 0.819 1 U 0.000e+00 0.00e+00 - 0 100 113 0
170 4.243 1.940 1 U 0.000e+00 0.00e+00 - 0 100 102 0
171 1.803 8.501 1 U 0.000e+00 0.00e+00 - 0 120 116 0
172 4.712 1.994 1 U 0.000e+00 0.00e+00 - 0 118 126 0
173 4.712 1.807 1 U 0.000e+00 0.00e+00 - 0 118 120 0
174 4.712 1.753 1 U 0.000e+00 0.00e+00 - 0 118 121 0
175 1.990 1.807 1 U 0.000e+00 0.00e+00 - 0 126 120 0
176 1.990 1.753 1 U 0.000e+00 0.00e+00 - 0 126 121 0
177 1.803 1.753 1 U 0.000e+00 0.00e+00 - 0 120 121 0
178 1.998 8.526 1 U 0.000e+00 0.00e+00 - 0 126 131 0
179 1.799 8.526 1 U 0.000e+00 0.00e+00 - 0 120 131 0
180 1.745 8.526 1 U 0.000e+00 0.00e+00 - 0 121 131 0
181 4.712 8.526 1 U 0.000e+00 0.00e+00 - 0 118 131 0
182 4.596 2.910 1 U 0.000e+00 0.00e+00 - 0 133 135 0
183 4.596 2.571 1 U 0.000e+00 0.00e+00 - 0 133 136 0
184 2.906 2.571 1 U 0.000e+00 0.00e+00 - 0 135 136 0
185 4.596 9.041 1 U 0.000e+00 0.00e+00 - 0 133 142 0
186 2.902 9.041 1 U 0.000e+00 0.00e+00 - 0 135 142 0
187 2.567 9.041 1 U 0.000e+00 0.00e+00 - 0 136 142 0
188 2.066 9.041 1 U 0.000e+00 0.00e+00 - 0 146 142 0
189 4.052 2.330 1 U 0.000e+00 0.00e+00 - 0 144 152 0
190 4.052 2.070 1 U 0.000e+00 0.00e+00 - 0 144 146 0
191 4.052 2.020 1 U 0.000e+00 0.00e+00 - 0 144 147 0
192 2.326 2.070 1 U 0.000e+00 0.00e+00 - 0 152 146 0
193 2.326 2.020 1 U 0.000e+00 0.00e+00 - 0 152 147 0
194 2.066 2.020 1 U 0.000e+00 0.00e+00 - 0 146 147 0
195 4.049 8.406 1 U 0.000e+00 0.00e+00 - 0 144 157 0
196 2.326 8.406 1 U 0.000e+00 0.00e+00 - 0 152 157 0
197 2.070 8.406 1 U 0.000e+00 0.00e+00 - 0 146 157 0
198 2.008 8.406 1 U 0.000e+00 0.00e+00 - 0 147 157 0
199 4.197 8.406 1 U 0.000e+00 0.00e+00 - 0 161 157 0
200 4.154 4.197 1 U 0.000e+00 0.00e+00 - 0 159 161 0
201 4.154 1.172 1 U 0.000e+00 0.00e+00 - 0 159 162 0
202 4.197 1.172 1 U 0.000e+00 0.00e+00 - 0 161 162 0
203 4.154 8.234 1 U 0.000e+00 0.00e+00 - 0 159 170 0
204 4.197 8.234 1 U 0.000e+00 0.00e+00 - 0 161 170 0
205 1.168 8.234 1 U 0.000e+00 0.00e+00 - 0 162 170 0
206 4.479 8.223 1 U 0.000e+00 0.00e+00 - 0 172 180 0
207 3.968 8.223 1 U 0.000e+00 0.00e+00 - 0 174 180 0
208 4.106 3.754 1 U 0.000e+00 0.00e+00 - 0 182 183 0
209 4.479 3.968 1 U 0.000e+00 0.00e+00 - 0 172 174 0
210 4.479 7.845 1 U 0.000e+00 0.00e+00 - 0 172 187 0
211 4.106 7.845 1 U 0.000e+00 0.00e+00 - 0 182 187 0
212 3.968 7.845 1 U 0.000e+00 0.00e+00 - 0 174 187 0
213 3.750 7.845 1 U 0.000e+00 0.00e+00 - 0 183 187 0
214 1.271 8.561 1 U 0.000e+00 0.00e+00 - 0 190 197 0
215 2.826 8.561 1 U 0.000e+00 0.00e+00 - 0 215 197 0
216 4.959 1.643 1 U 0.000e+00 0.00e+00 - 0 199 203 0
217 4.959 1.539 1 U 0.000e+00 0.00e+00 - 0 199 211 0
218 4.959 1.170 1 U 0.000e+00 0.00e+00 - 0 199 206 0
219 4.959 2.830 1 U 0.000e+00 0.00e+00 - 0 199 215 0
220 4.959 1.280 1 U 0.000e+00 0.00e+00 - 0 199 205 0
221 2.826 1.643 1 U 0.000e+00 0.00e+00 - 0 215 203 0
222 2.826 1.539 1 U 0.000e+00 0.00e+00 - 0 215 211 0
223 2.826 1.280 1 U 0.000e+00 0.00e+00 - 0 215 205 0
224 2.826 1.170 1 U 0.000e+00 0.00e+00 - 0 215 206 0
225 1.639 1.539 1 U 0.000e+00 0.00e+00 - 0 203 211 0
226 1.639 1.280 1 U 0.000e+00 0.00e+00 - 0 203 205 0
227 1.639 1.170 1 U 0.000e+00 0.00e+00 - 0 203 206 0
228 1.535 1.280 1 U 0.000e+00 0.00e+00 - 0 211 205 0
229 1.535 1.170 1 U 0.000e+00 0.00e+00 - 0 211 206 0
230 1.276 1.170 1 U 0.000e+00 0.00e+00 - 0 205 206 0
231 1.647 8.691 1 U 0.000e+00 0.00e+00 - 0 203 222 0
232 1.542 8.691 1 U 0.000e+00 0.00e+00 - 0 211 222 0
233 1.276 8.691 1 U 0.000e+00 0.00e+00 - 0 205 222 0
234 1.166 8.691 1 U 0.000e+00 0.00e+00 - 0 206 222 0
235 4.494 1.128 1 U 0.000e+00 0.00e+00 - 0 224 227 0
236 3.928 1.128 1 U 0.000e+00 0.00e+00 - 0 226 227 0
237 4.494 3.932 1 U 0.000e+00 0.00e+00 - 0 224 226 0
238 5.539 3.292 1 U 0.000e+00 0.00e+00 - 0 237 239 0
239 5.539 3.037 1 U 0.000e+00 0.00e+00 - 0 237 240 0
240 3.288 3.037 1 U 0.000e+00 0.00e+00 - 0 239 240 0
241 4.101 1.955 1 U 0.000e+00 0.00e+00 - 0 246 248 0
242 4.101 0.898 1 U 0.000e+00 0.00e+00 - 0 246 259 0
243 4.101 0.898 1 U 0.000e+00 0.00e+00 - 0 246 259 0
244 0.894 8.331 1 U 0.000e+00 0.00e+00 - 0 259 278 0
245 4.310 3.141 1 U 0.000e+00 0.00e+00 - 0 345 357 0
246 4.310 3.141 1 U 0.000e+00 0.00e+00 - 0 345 357 0
247 4.310 1.850 1 U 0.000e+00 0.00e+00 - 0 345 347 0
248 4.310 1.725 1 U 0.000e+00 0.00e+00 - 0 345 348 0
249 4.310 1.603 1 U 0.000e+00 0.00e+00 - 0 345 353 0
250 3.137 1.850 1 U 0.000e+00 0.00e+00 - 0 357 347 0
251 3.137 1.725 1 U 0.000e+00 0.00e+00 - 0 357 348 0
252 3.137 1.725 1 U 0.000e+00 0.00e+00 - 0 357 348 0
253 1.846 1.725 1 U 0.000e+00 0.00e+00 - 0 347 348 0
254 1.846 1.603 1 U 0.000e+00 0.00e+00 - 0 347 353 0
255 1.721 1.603 1 U 0.000e+00 0.00e+00 - 0 348 353 0
256 4.310 7.153 1 U 0.000e+00 0.00e+00 - 0 345 359 0
257 1.846 8.281 1 U 0.000e+00 0.00e+00 - 0 347 369 0
258 1.718 8.281 1 U 0.000e+00 0.00e+00 - 0 348 369 0
259 1.595 8.281 1 U 0.000e+00 0.00e+00 - 0 353 369 0
260 4.267 4.154 1 U 0.000e+00 0.00e+00 - 0 378 380 0
261 4.267 1.117 1 U 0.000e+00 0.00e+00 - 0 378 381 0
262 4.150 1.117 1 U 0.000e+00 0.00e+00 - 0 380 381 0
263 2.993 7.545 1 U 0.000e+00 0.00e+00 - 0 293 298 0
264 2.665 7.545 1 U 0.000e+00 0.00e+00 - 0 294 298 0
265 2.665 8.806 1 U 0.000e+00 0.00e+00 - 0 294 289 0
266 2.993 8.806 1 U 0.000e+00 0.00e+00 - 0 293 289 0
267 4.442 8.806 1 U 0.000e+00 0.00e+00 - 0 291 289 0
268 2.654 7.746 1 U 0.000e+00 0.00e+00 - 0 318 323 0
269 2.654 8.383 1 U 0.000e+00 0.00e+00 - 0 318 312 0
270 4.161 1.344 1 U 0.000e+00 0.00e+00 - 0 325 326 0
271 4.402 2.658 1 U 0.000e+00 0.00e+00 - 0 314 318 0
272 4.343 8.383 1 U 0.000e+00 0.00e+00 - 0 305 312 0
273 4.343 7.776 1 U 0.000e+00 0.00e+00 - 0 305 303 0
274 8.379 7.776 1 U 0.000e+00 0.00e+00 - 0 312 303 0
275 7.772 8.383 1 U 0.000e+00 0.00e+00 - 0 303 312 0
277 2.871 7.776 1 U 0.000e+00 0.00e+00 - 0 308 303 0
278 2.871 8.383 1 U 0.000e+00 0.00e+00 - 0 308 312 0
279 3.303 8.383 1 U 0.000e+00 0.00e+00 - 0 307 312 0
280 2.993 7.776 1 U 0.000e+00 0.00e+00 - 0 293 303 0
281 2.665 8.806 1 U 0.000e+00 0.00e+00 - 0 294 289 0
282 6.802 7.545 1 U 0.000e+00 0.00e+00 - 0 299 298 0
283 7.541 6.806 1 U 0.000e+00 0.00e+00 - 0 298 299 0
284 3.303 7.776 1 U 0.000e+00 0.00e+00 - 0 307 303 0
285 4.442 7.776 1 U 0.000e+00 0.00e+00 - 0 291 303 0
286 4.250 2.496 1 U 0.000e+00 0.00e+00 - 0 280 283 0
287 4.250 2.594 1 U 0.000e+00 0.00e+00 - 0 280 282 0
288 2.590 2.496 1 U 0.000e+00 0.00e+00 - 0 282 283 0
289 4.250 8.806 1 U 0.000e+00 0.00e+00 - 0 280 289 0
290 2.590 8.806 1 U 0.000e+00 0.00e+00 - 0 282 289 0
291 2.492 8.806 1 U 0.000e+00 0.00e+00 - 0 283 289 0
292 2.590 8.331 1 U 0.000e+00 0.00e+00 - 0 282 278 0
293 3.651 8.331 1 U 0.000e+00 0.00e+00 - 0 275 278 0
295 1.889 8.331 1 U 0.000e+00 0.00e+00 - 0 270 278 0
296 1.841 8.331 1 U 0.000e+00 0.00e+00 - 0 271 278 0
297 2.451 8.331 1 U 0.000e+00 0.00e+00 - 0 268 278 0
298 4.661 8.331 1 U 0.000e+00 0.00e+00 - 0 264 278 0
299 4.661 3.655 1 U 0.000e+00 0.00e+00 - 0 264 275 0
300 4.661 2.455 1 U 0.000e+00 0.00e+00 - 0 264 268 0
301 4.661 1.893 1 U 0.000e+00 0.00e+00 - 0 264 270 0
302 4.661 1.845 1 U 0.000e+00 0.00e+00 - 0 264 271 0
303 3.651 2.455 1 U 0.000e+00 0.00e+00 - 0 275 268 0
304 3.651 1.893 1 U 0.000e+00 0.00e+00 - 0 275 270 0
305 3.651 1.845 1 U 0.000e+00 0.00e+00 - 0 275 271 0
306 2.451 1.893 1 U 0.000e+00 0.00e+00 - 0 268 270 0
307 2.451 1.845 1 U 0.000e+00 0.00e+00 - 0 268 271 0
308 1.889 1.845 1 U 0.000e+00 0.00e+00 - 0 270 271 0
309 4.101 8.331 1 U 0.000e+00 0.00e+00 - 0 246 278 0
310 1.951 8.331 1 U 0.000e+00 0.00e+00 - 0 248 278 0
311 4.661 4.105 1 U 0.000e+00 0.00e+00 - 0 264 246 0
312 4.101 2.448 1 U 0.000e+00 0.00e+00 - 0 246 266 0
313 4.098 1.894 1 U 0.000e+00 0.00e+00 - 0 0 0 0
314 4.102 1.844 1 U 0.000e+00 0.00e+00 - 0 0 0 0
315 3.832 8.091 1 U 0.000e+00 0.00e+00 - 0 339 343 0
316 4.267 8.377 1 U 0.000e+00 0.00e+00 - 0 378 389 0
317 4.150 8.377 1 U 0.000e+00 0.00e+00 - 0 380 389 0
318 1.114 8.377 1 U 0.000e+00 0.00e+00 - 0 381 389 0
319 4.943 2.761 1 U 0.000e+00 0.00e+00 - 0 391 393 0
320 4.943 2.604 1 U 0.000e+00 0.00e+00 - 0 391 394 0
321 2.757 2.604 1 U 0.000e+00 0.00e+00 - 0 393 394 0
322 4.933 3.612 1 U 0.000e+00 0.00e+00 - 0 391 415 0
323 4.936 3.683 1 U 0.000e+00 0.00e+00 - 0 391 414 0
324 3.679 3.612 1 U 0.000e+00 0.00e+00 - 0 414 415 0
325 3.608 2.160 1 U 0.000e+00 0.00e+00 - 0 415 409 0
326 3.679 2.160 1 U 0.000e+00 0.00e+00 - 0 414 409 0
327 3.608 1.925 1 U 0.000e+00 0.00e+00 - 0 415 413 0
328 3.679 1.925 1 U 0.000e+00 0.00e+00 - 0 414 413 0
329 4.173 2.160 1 U 0.000e+00 0.00e+00 - 0 405 409 0
330 4.173 1.925 1 U 0.000e+00 0.00e+00 - 0 405 413 0
331 2.156 1.925 1 U 0.000e+00 0.00e+00 - 0 409 413 0
332 6.851 7.563 1 U 0.000e+00 0.00e+00 - 0 399 398 0
333 7.559 6.855 1 U 0.000e+00 0.00e+00 - 0 398 399 0
334 1.943 5.557 1 U 0.000e+00 0.00e+00 - 0 0 0 0
335 2.436 5.557 1 U 0.000e+00 0.00e+00 - 0 94 237 0
336 2.436 5.462 1 U 0.000e+00 0.00e+00 - 0 94 91 0
337 1.935 5.472 1 U 0.000e+00 0.00e+00 - 0 0 0 0
338 2.924 5.462 1 U 0.000e+00 0.00e+00 - 0 93 91 0
339 2.924 5.554 1 U 0.000e+00 0.00e+00 - 0 93 237 0
340 3.032 5.554 1 U 0.000e+00 0.00e+00 - 0 240 237 0
341 3.038 5.462 1 U 0.000e+00 0.00e+00 - 0 240 91 0
342 3.288 5.462 1 U 0.000e+00 0.00e+00 - 0 239 91 0
343 3.290 5.553 1 U 0.000e+00 0.00e+00 - 0 239 237 0
344 4.252 5.468 1 U 0.000e+00 0.00e+00 - 0 0 0 0
345 4.252 5.550 1 U 0.000e+00 0.00e+00 - 0 0 0 0
346 4.104 5.550 1 U 0.000e+00 0.00e+00 - 0 0 0 0
347 5.460 5.559 1 U 0.000e+00 0.00e+00 - 0 0 0 0
348 5.534 5.468 1 U 0.000e+00 0.00e+00 - 0 0 0 0
349 5.458 2.928 1 U 0.000e+00 0.00e+00 - 0 91 93 0
350 5.458 2.440 1 U 0.000e+00 0.00e+00 - 0 91 94 0
351 2.924 2.440 1 U 0.000e+00 0.00e+00 - 0 93 94 0
352 4.343 3.307 1 U 0.000e+00 0.00e+00 - 0 305 307 0
353 4.343 2.875 1 U 0.000e+00 0.00e+00 - 0 305 308 0
354 3.303 2.875 1 U 0.000e+00 0.00e+00 - 0 307 308 0
355 5.076 3.095 1 U 0.000e+00 0.00e+00 - 0 59 61 0
356 5.076 2.576 1 U 0.000e+00 0.00e+00 - 0 59 62 0
357 3.091 2.576 1 U 0.000e+00 0.00e+00 - 0 61 62 0
358 5.074 3.312 1 U 0.000e+00 0.00e+00 - 0 59 307 0
359 5.071 2.872 1 U 0.000e+00 0.00e+00 - 0 59 308 0
360 4.341 3.095 1 U 0.000e+00 0.00e+00 - 0 305 61 0
361 4.338 2.580 1 U 0.000e+00 0.00e+00 - 0 305 62 0
362 5.450 3.302 1 U 0.000e+00 0.00e+00 - 0 91 239 0
363 5.453 3.054 1 U 0.000e+00 0.00e+00 - 0 91 240 0
364 5.537 2.938 1 U 0.000e+00 0.00e+00 - 0 237 93 0
365 5.542 2.449 1 U 0.000e+00 0.00e+00 - 0 237 94 0
366 4.925 3.042 1 U 0.000e+00 0.00e+00 - 0 68 72 0
367 5.540 8.626 1 U 0.000e+00 0.00e+00 - 0 0 0 0
368 5.453 8.691 1 U 0.000e+00 0.00e+00 - 0 0 0 0
369 5.459 8.811 1 U 0.000e+00 0.00e+00 - 0 0 0 0
370 0.816 7.256 1 U 0.000e+00 0.00e+00 - 0 0 0 0
371 0.816 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0
372 0.887 7.257 1 U 0.000e+00 0.00e+00 - 0 0 0 0
373 0.890 7.207 1 U 0.000e+00 0.00e+00 - 0 0 0 0
374 1.115 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0
375 1.115 7.254 1 U 0.000e+00 0.00e+00 - 0 0 0 0
376 1.836 7.258 1 U 0.000e+00 0.00e+00 - 0 0 0 0
377 1.836 7.208 1 U 0.000e+00 0.00e+00 - 0 0 0 0
378 2.187 7.208 1 U 0.000e+00 0.00e+00 - 0 0 0 0
379 2.187 7.254 1 U 0.000e+00 0.00e+00 - 0 0 0 0
380 1.939 7.254 1 U 0.000e+00 0.00e+00 - 0 0 0 0
381 1.939 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0
382 1.985 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0
383 1.980 7.256 1 U 0.000e+00 0.00e+00 - 0 0 0 0
384 4.140 2.013 1 U 0.000e+00 0.00e+00 - 0 15 17 0
385 4.140 0.879 1 U 0.000e+00 0.00e+00 - 0 15 28 0
386 2.009 0.879 1 U 0.000e+00 0.00e+00 - 0 17 28 0
387 4.253 1.275 1 U 0.000e+00 0.00e+00 - 0 189 190 0
388 1.951 0.898 1 U 0.000e+00 0.00e+00 - 0 248 259 0
389 4.442 2.997 1 U 0.000e+00 0.00e+00 - 0 291 293 0
390 4.442 2.669 1 U 0.000e+00 0.00e+00 - 0 291 294 0
391 2.993 2.669 1 U 0.000e+00 0.00e+00 - 0 293 294 0
392 4.325 3.836 1 U 0.000e+00 0.00e+00 - 0 335 339 0
393 1.122 5.554 1 U 0.000e+00 0.00e+00 - 0 0 0 0
394 1.122 5.471 1 U 0.000e+00 0.00e+00 - 0 0 0 0
395 0.889 5.471 1 U 0.000e+00 0.00e+00 - 0 0 0 0
396 0.814 5.470 1 U 0.000e+00 0.00e+00 - 0 0 0 0
397 0.814 5.554 1 U 0.000e+00 0.00e+00 - 0 0 0 0
398 0.892 5.554 1 U 0.000e+00 0.00e+00 - 0 0 0 0
399 4.926 5.463 1 U 0.000e+00 0.00e+00 - 0 0 0 0
400 4.960 8.526 1 U 0.000e+00 0.00e+00 - 0 0 0 0
401 7.761 8.805 1 U 0.000e+00 0.00e+00 - 0 0 0 0
402 8.318 8.806 1 U 0.000e+00 0.00e+00 - 0 0 0 0
403 8.578 8.812 1 U 0.000e+00 0.00e+00 - 0 0 0 0
404 8.676 8.978 1 U 0.000e+00 0.00e+00 - 0 0 0 0
405 8.792 8.979 1 U 0.000e+00 0.00e+00 - 0 0 0 0
406 8.391 9.041 1 U 0.000e+00 0.00e+00 - 0 0 0 0
407 8.218 9.040 1 U 0.000e+00 0.00e+00 - 0 0 0 0
408 8.213 8.527 1 U 0.000e+00 0.00e+00 - 0 0 0 0
409 8.213 8.408 1 U 0.000e+00 0.00e+00 - 0 0 0 0
410 7.834 8.525 1 U 0.000e+00 0.00e+00 - 0 0 0 0
411 8.077 8.591 1 U 0.000e+00 0.00e+00 - 0 0 0 0
412 7.192 8.583 1 U 0.000e+00 0.00e+00 - 0 0 0 0
413 1.167 9.040 1 U 0.000e+00 0.00e+00 - 0 0 0 0
414 0.813 9.041 1 U 0.000e+00 0.00e+00 - 0 0 0 0
415 0.816 8.807 1 U 0.000e+00 0.00e+00 - 0 0 0 0
416 1.117 8.806 1 U 0.000e+00 0.00e+00 - 0 0 0 0
417 0.813 8.690 1 U 0.000e+00 0.00e+00 - 0 0 0 0
418 0.892 8.589 1 U 0.000e+00 0.00e+00 - 0 0 0 0
419 0.814 8.573 1 U 0.000e+00 0.00e+00 - 0 0 0 0
420 0.878 8.501 1 U 0.000e+00 0.00e+00 - 0 0 0 0
421 1.122 8.628 1 U 0.000e+00 0.00e+00 - 0 0 0 0
422 1.275 8.628 1 U 0.000e+00 0.00e+00 - 0 0 0 0
423 1.158 8.628 1 U 0.000e+00 0.00e+00 - 0 0 0 0
424 1.122 8.560 1 U 0.000e+00 0.00e+00 - 0 0 0 0
425 1.120 8.526 1 U 0.000e+00 0.00e+00 - 0 0 0 0
426 1.335 8.382 1 U 0.000e+00 0.00e+00 - 0 0 0 0
427 1.930 8.689 1 U 0.000e+00 0.00e+00 - 0 0 0 0
428 1.997 8.691 1 U 0.000e+00 0.00e+00 - 0 0 0 0
429 2.436 8.689 1 U 0.000e+00 0.00e+00 - 0 0 0 0
430 2.197 8.094 1 U 0.000e+00 0.00e+00 - 0 0 0 0
431 1.977 8.096 1 U 0.000e+00 0.00e+00 - 0 0 0 0
432 1.948 8.588 1 U 0.000e+00 0.00e+00 - 0 0 0 0
433 3.022 8.382 1 U 0.000e+00 0.00e+00 - 0 0 0 0
434 3.292 8.589 1 U 0.000e+00 0.00e+00 - 0 0 0 0
435 2.902 8.406 1 U 0.000e+00 0.00e+00 - 0 0 0 0
436 2.900 8.233 1 U 0.000e+00 0.00e+00 - 0 0 0 0
437 2.567 8.231 1 U 0.000e+00 0.00e+00 - 0 0 0 0
438 2.568 8.409 1 U 0.000e+00 0.00e+00 - 0 0 0 0
439 4.090 8.498 1 U 0.000e+00 0.00e+00 - 0 0 0 0
440 3.648 8.590 1 U 0.000e+00 0.00e+00 - 0 0 0 0
441 3.703 8.092 1 U 0.000e+00 0.00e+00 - 0 0 0 0
442 4.403 8.056 1 U 0.000e+00 0.00e+00 - 0 0 0 0
443 4.967 8.629 1 U 0.000e+00 0.00e+00 - 0 0 0 0
444 5.076 8.810 1 U 0.000e+00 0.00e+00 - 0 0 0 0
445 4.709 8.688 1 U 0.000e+00 0.00e+00 - 0 0 0 0
446 4.598 8.407 1 U 0.000e+00 0.00e+00 - 0 0 0 0
447 7.729 8.055 1 U 0.000e+00 0.00e+00 - 0 0 0 0
448 7.728 8.381 1 U 0.000e+00 0.00e+00 - 0 0 0 0
449 7.831 8.224 1 U 0.000e+00 0.00e+00 - 0 0 0 0
450 8.077 8.282 1 U 0.000e+00 0.00e+00 - 0 0 0 0
451 9.024 8.528 1 U 0.000e+00 0.00e+00 - 0 0 0 0
452 8.510 9.043 1 U 0.000e+00 0.00e+00 - 0 0 0 0
453 9.024 8.408 1 U 0.000e+00 0.00e+00 - 0 0 0 0
454 8.962 8.689 1 U 0.000e+00 0.00e+00 - 0 0 0 0
455 8.961 8.808 1 U 0.000e+00 0.00e+00 - 0 0 0 0
456 8.797 8.590 1 U 0.000e+00 0.00e+00 - 0 0 0 0
457 8.795 8.332 1 U 0.000e+00 0.00e+00 - 0 0 0 0
458 9.024 8.230 1 U 0.000e+00 0.00e+00 - 0 0 0 0
459 8.510 8.225 1 U 0.000e+00 0.00e+00 - 0 0 0 0
460 8.574 8.095 1 U 0.000e+00 0.00e+00 - 0 0 0 0
461 8.568 7.205 1 U 0.000e+00 0.00e+00 - 0 0 0 0
462 8.568 7.255 1 U 0.000e+00 0.00e+00 - 0 0 0 0
463 8.795 7.776 1 U 0.000e+00 0.00e+00 - 0 0 0 0
464 8.961 7.778 1 U 0.000e+00 0.00e+00 - 0 0 0 0
465 8.517 7.846 1 U 0.000e+00 0.00e+00 - 0 0 0 0
466 8.211 7.846 1 U 0.000e+00 0.00e+00 - 0 0 0 0
467 8.366 8.000 1 U 0.000e+00 0.00e+00 - 0 0 0 0
468 8.267 7.999 1 U 0.000e+00 0.00e+00 - 0 0 0 0
469 8.042 7.747 1 U 0.000e+00 0.00e+00 - 0 0 0 0
470 8.369 7.746 1 U 0.000e+00 0.00e+00 - 0 0 0 0
473 5.457 7.208 1 U 0.000e+00 0.00e+00 - 0 0 0 0
474 4.598 7.207 1 U 0.000e+00 0.00e+00 - 0 0 0 0
475 2.565 7.255 1 U 0.000e+00 0.00e+00 - 0 0 0 0
476 2.565 7.209 1 U 0.000e+00 0.00e+00 - 0 0 0 0
477 1.347 7.845 1 U 0.000e+00 0.00e+00 - 0 0 0 0
478 1.999 7.846 1 U 0.000e+00 0.00e+00 - 0 0 0 0
479 2.568 7.846 1 U 0.000e+00 0.00e+00 - 0 0 0 0
480 1.941 7.776 1 U 0.000e+00 0.00e+00 - 0 0 0 0
481 1.838 7.775 1 U 0.000e+00 0.00e+00 - 0 0 0 0
482 2.904 7.845 1 U 0.000e+00 0.00e+00 - 0 0 0 0
483 2.660 7.776 1 U 0.000e+00 0.00e+00 - 0 0 0 0
484 3.034 7.776 1 U 0.000e+00 0.00e+00 - 0 0 0 0
485 3.645 7.775 1 U 0.000e+00 0.00e+00 - 0 0 0 0
486 4.249 7.775 1 U 0.000e+00 0.00e+00 - 0 0 0 0
487 1.997 8.227 1 U 0.000e+00 0.00e+00 - 0 0 0 0
488 3.753 8.528 1 U 0.000e+00 0.00e+00 - 0 0 0 0
489 4.254 8.978 1 U 0.000e+00 0.00e+00 - 0 0 0 0
490 4.245 8.692 1 U 0.000e+00 0.00e+00 - 0 0 0 0
493 4.445 8.384 1 U 0.000e+00 0.00e+00 - 0 0 0 0
494 3.753 8.236 1 U 0.000e+00 0.00e+00 - 0 175 170 0
495 3.753 8.223 1 U 0.000e+00 0.00e+00 - 0 175 180 0
496 4.479 3.753 1 U 0.000e+00 0.00e+00 - 0 172 175 0
497 3.968 3.753 1 U 0.000e+00 0.00e+00 - 0 174 175 0
498 4.243 8.570 1 U 0.000e+00 0.00e+00 - 0 4 13 0
499 4.243 2.767 1 U 0.000e+00 0.00e+00 - 0 4 6 0
500 4.243 2.613 1 U 0.000e+00 0.00e+00 - 0 4 7 0
501 2.767 2.613 1 U 0.000e+00 0.00e+00 - 0 6 7 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 2 . 12 ppm . . . 4.76 . . 30409 1
2 . . H 1 H 1 . 12 ppm . . . 4.76 . . 30409 1
stop_
save_