Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 34259
_Spectral_peak_list.ID 5
_Spectral_peak_list.Sample_ID 4
_Spectral_peak_list.Sample_label $sample_4
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 4
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
# FORMAT xeasy3D
# INAME 1 C
# INAME 2 H
# INAME 3 HC
# SPECTRUM C13NOESY C H HC
1 94.070 5.475 7.652 1 U 1.96e+06 0 e 0 305 312 319
2 92.100 5.757 8.086 1 U 2.88e+06 0 e 0 115 122 129
3 92.459 6.012 7.986 1 U 9.25e+05 0 e 0 42 49 56
4 92.363 6.006 8.213 1 U 1.43e+06 0 e 0 234 241 248
5 93.310 5.513 6.925 1 U 2.26e+06 0 e 0 57 63 69
6 94.079 5.546 7.984 1 U 1.57e+06 0 e 0 264 270 291 #peak OL/2
7 93.038 5.895 7.653 1 U 1.03e+06 0 e 0 15 20 41
8 93.038 5.881 7.541 1 U 1.04e+06 0 e 0 15 20 26
9 93.038 5.924 7.682 1 U 1.28e+06 0 e 0 70 77 84
10 93.830 5.520 7.655 1 U 1.37e+06 0 e 0 27 34 41
11 92.422 6.012 6.915 1 U 2.94e+05 0 e 0 42 49 69
12 92.498 5.562 7.346 1 U 9.1e+05 0 e 0 85 92 99
13 92.921 5.538 7.986 1 U 1.5e+06 0 e 0 277 284 291
14 93.118 5.520 7.726 1 U 7.61e+05 0 e 0 100 107 114
15 93.102 5.521 8.090 1 U 5.5e+05 0 e 0 100 107 129
16 92.775 5.781 6.930 1 U 1.27e+06 0 e 0 292 298 50
17 92.088 5.767 7.446 1 U 5.38e+05 0 e 0 115 122 144
18 92.170 5.751 7.548 1 U 1.07e+06 0 e 0 2 8 26
19 92.664 5.420 7.456 1 U 8.63e+05 0 e 0 130 137 144
20 90.232 5.861 7.653 1 U 3.31e+06 0 e 0 175 181 187
21 90.147 5.881 7.696 1 U 2.3e+06 0 e 0 189 194 199
22 92.303 5.890 7.881 1 U 1.37e+06 0 e 0 202 209 216
23 105.001 5.646 7.721 1 U 8.71e+06 0 e 0 104 111 114
24 104.906 5.716 7.910 1 U 6.77e+06 0 e 0 267 273 276
# 25 105.360 5.690 6.916 1 U 5.99e+05 0 e 0 200 201 336
# 26 105.440 5.685 6.883 1 U 8.19e+05 0 e 0 200 201 338
27 93.028 5.937 7.335 1 U 7.49e+05 0 e 0 70 77 99
28 90.090 5.939 8.225 1 U 4.3e+06 0 e 0 160 167 174
29 98.581 5.920 1.264 1 U 1.08e+06 0 e 0 206 213 342
30 93.216 5.663 7.884 1 U 1.95e+06 0 e 0 217 224 231
31 93.842 5.469 7.422 1 U 8.36e+05 0 e 0 249 256 263
32 94.084 5.468 7.610 1 U 9.01e+05 0 e 0 305 312 334
33 94.070 5.556 7.915 1 U 2.11e+06 0 e 0 264 270 276
# 34 92.972 5.531 7.785 1 U 1.82e+06 0 e 0 277 284 304 #OL
35 92.968 5.716 7.611 1 U 1.75e+06 0 e 0 320 327 334
36 92.170 5.752 8.083 1 U 2.43e+06 0 e 0 2 8 14
37 83.598 4.526 8.082 1 U 1.61e+06 0 e 0 5 11 14
38 83.579 4.525 5.747 1 U 2.49e+06 0 e 0 5 11 8
39 75.037 4.916 8.083 1 U 2.55e+06 0 e 0 3 9 14
40 75.041 4.916 5.749 1 U 3.58e+06 0 e 0 3 9 8
41 74.638 4.682 8.085 1 U 1.81e+06 0 e 0 4 10 14
42 74.679 4.675 5.752 1 U 1.24e+06 0 e 0 4 10 8
43 75.031 4.917 7.548 1 U 3.45e+06 0 e 0 3 9 26
44 74.561 4.682 7.541 1 U 1.53e+06 0 e 0 4 10 26
45 74.631 4.685 4.917 1 U 6.63e+06 0 e 0 4 10 9
46 82.410 4.526 5.885 1 U 2.06e+06 0 e 0 18 23 20
47 82.660 4.528 6.005 1 U 2.55e+06 0 e 0 238 245 241
48 82.841 4.528 8.219 1 U 8.74e+05 0 e 0 238 245 248
49 75.363 4.541 5.887 1 U 5.44e+06 0 e 0 16 21 20
50 72.978 4.577 5.887 1 U 1.7e+06 0 e 0 17 22 20
51 75.346 4.543 7.650 1 U 9.83e+06 0 e 0 16 21 41
52 72.985 4.581 7.542 1 U 1.62e+06 0 e 0 17 22 26
53 65.754 4.225 7.544 1 U 9.19e+05 0 e 0 19 24 26
54 65.706 4.531 7.541 1 U 8.12e+05 0 e 0 19 25 26
55 65.768 4.535 5.891 1 U 6.16e+05 0 e 0 19 25 20
56 81.974 4.428 5.514 1 U 2.4e+06 0 e 0 30 37 34
57 81.974 4.426 7.654 1 U 1.63e+06 0 e 0 30 37 41
58 93.833 5.532 5.251 1 U 5.57e+05 0 e 0 27 34 38
59 75.408 4.530 5.514 1 U 6.2e+06 0 e 0 28 35 34
60 75.408 4.525 7.650 1 U 1.04e+07 0 e 0 28 35 41
61 75.412 4.530 7.987 1 U 6.74e+06 0 e 0 28 35 56
62 72.125 4.552 5.511 1 U 1.57e+06 0 e 0 29 36 34
63 72.199 4.556 7.651 1 U 4.38e+06 0 e 0 29 36 41
64 72.173 4.554 7.989 1 U 2.38e+06 0 e 0 29 36 56
65 64.539 4.115 7.654 1 U 1.35e+06 0 e 0 32 39 41
66 64.539 4.513 7.679 1 U 9.2e+05 0 e 0 75 83 84
67 64.539 4.085 7.675 1 U 9.13e+05 0 e 0 75 82 84
68 81.877 4.477 6.013 1 U 2.25e+06 0 e 0 46 53 49
69 81.889 4.468 7.983 1 U 1.22e+06 0 e 0 46 53 56
70 76.232 4.661 6.011 1 U 7.08e+06 0 e 0 44 51 49
71 76.317 4.663 7.988 1 U 1.55e+06 0 e 0 44 51 56
72 76.296 4.655 6.919 1 U 3.66e+06 0 e 0 44 51 69
73 73.205 4.667 6.011 1 U 1.59e+06 0 e 0 45 52 49
74 73.166 4.665 6.917 1 U 6.66e+05 0 e 0 45 52 69
75 73.186 4.669 7.988 1 U 3.92e+06 0 e 0 45 52 56
76 65.279 4.156 7.987 1 U 2.07e+06 0 e 0 47 54 56
77 65.269 4.539 7.985 1 U 1.86e+06 0 e 0 47 55 56
78 65.320 4.140 5.535 1 U 4.18e+05 0 e 0 282 289 284
79 65.389 4.152 6.006 1 U 7.33e+05 0 e 0 47 54 49
80 65.320 4.139 7.985 1 U 2.18e+06 0 e 0 282 289 291
81 65.320 4.545 7.989 1 U 1.67e+06 0 e 0 282 290 291
82 82.481 4.476 5.511 1 U 2.38e+06 0 e 0 60 66 63
83 93.275 5.501 7.675 1 U 9.03e+05 0 e 0 57 63 84
84 82.399 4.479 6.909 1 U 8.22e+05 0 e 0 60 66 69
85 75.122 4.645 5.509 1 U 5.44e+06 0 e 0 58 64 63
86 75.127 4.646 7.682 1 U 5.77e+06 0 e 0 58 64 84
87 73.713 4.243 5.505 1 U 1.34e+06 0 e 0 59 65 63
88 73.752 4.241 6.917 1 U 1.65e+06 0 e 0 59 65 69
89 73.801 4.242 7.677 1 U 2.57e+06 0 e 0 59 65 84
90 67.631 4.013 6.919 1 U 2.39e+06 0 e 0 61 67 69
91 67.594 4.301 6.919 1 U 1.42e+06 0 e 0 61 68 69
92 82.371 4.469 7.680 1 U 1.39e+06 0 e 0 74 81 84
93 82.328 4.459 5.928 1 U 1.75e+06 0 e 0 74 81 77
94 75.786 4.440 5.929 1 U 5.83e+06 0 e 0 72 79 77
95 75.782 4.438 7.341 1 U 3.71e+06 0 e 0 72 79 99
96 76.246 4.390 5.897 1 U 2.46e+06 0 e 0 203 210 209
97 72.691 4.593 5.930 1 U 1.5e+06 0 e 0 73 80 77
98 72.726 4.595 7.342 1 U 1.49e+06 0 e 0 73 80 99
99 83.110 4.416 5.561 1 U 1.88e+06 0 e 0 88 95 92
100 83.201 4.412 7.337 1 U 8.51e+05 0 e 0 88 95 99
101 75.717 4.327 5.561 1 U 4.85e+06 0 e 0 86 93 92
102 75.713 4.195 5.555 1 U 5.56e+06 0 e 0 265 271 270
103 75.736 4.335 7.344 1 U 3.16e+06 0 e 0 86 93 99
104 75.782 4.325 7.723 1 U 8.1e+06 0 e 0 86 93 114
105 73.906 4.318 7.340 1 U 1.57e+06 0 e 0 87 94 99
106 73.957 4.315 7.721 1 U 1.15e+06 0 e 0 87 94 114
107 65.881 4.029 7.340 1 U 1.23e+06 0 e 0 90 97 99
108 65.881 4.394 7.345 1 U 7.35e+05 0 e 0 90 98 99
109 83.467 4.408 5.515 1 U 1.26e+06 0 e 0 103 110 107
110 83.526 4.413 7.723 1 U 1.79e+06 0 e 0 103 110 114
111 75.526 4.248 8.091 1 U 5.48e+06 0 e 0 101 108 129
112 75.526 4.244 5.511 1 U 2.49e+06 0 e 0 101 108 107
113 75.526 4.250 7.724 1 U 5.37e+06 0 e 0 101 108 114
114 73.984 4.533 7.722 1 U 3.76e+06 0 e 0 102 109 114
115 73.984 4.534 8.092 1 U 2.41e+06 0 e 0 102 109 129
116 73.984 4.534 5.514 1 U 5.9e+05 0 e 0 102 109 107
117 74.163 4.533 5.658 1 U 1.62e+06 0 e 0 219 226 224
118 74.208 4.533 7.881 1 U 2.8e+06 0 e 0 219 226 231
119 74.217 4.531 8.209 1 U 2.57e+06 0 e 0 219 226 248
120 65.741 4.078 7.724 1 U 1.32e+06 0 e 0 105 112 114
121 65.741 4.342 7.720 1 U 7.04e+05 0 e 0 105 113 114
122 83.628 4.414 7.446 1 U 9.67e+05 0 e 0 119 126 144
123 83.634 4.424 5.766 1 U 2.5e+06 0 e 0 119 126 122
124 83.631 4.423 8.094 1 U 1.54e+06 0 e 0 119 126 129
125 74.148 4.515 8.093 1 U 3.06e+06 0 e 0 118 125 129
126 74.148 4.506 7.447 1 U 2.55e+06 0 e 0 118 125 144
127 74.232 4.502 5.770 1 U 1.37e+06 0 e 0 118 125 122
128 66.138 4.149 8.083 1 U 3.43e+06 0 e 0 6 12 14
129 66.145 4.299 8.085 1 U 2.06e+06 0 e 0 6 13 14
130 66.138 4.151 5.758 1 U 1.82e+05 0 e 0 6 12 8
131 66.138 4.287 5.754 1 U 5.9e+05 0 e 0 6 13 8
132 66.138 4.096 8.099 1 U 1.01e+06 0 e 0 120 127 129
133 66.138 4.379 8.097 1 U 6.18e+05 0 e 0 120 128 129
134 93.244 5.667 8.212 1 U 1.28e+06 0 e 0 217 224 248
135 83.179 4.485 7.884 1 U 1.5e+06 0 e 0 220 227 231
136 83.215 4.487 5.659 1 U 2.45e+06 0 e 0 220 227 224
137 75.330 4.565 5.662 1 U 2.11e+06 0 e 0 218 225 224 # partial OL 1/2
138 75.302 4.570 7.883 1 U 3.15e+06 0 e 0 218 225 231
139 75.337 4.564 8.213 1 U 5.05e+06 0 e 0 218 225 248
140 66.647 4.174 7.886 1 U 2.25e+06 0 e 0 222 229 231
141 66.657 4.390 7.886 1 U 1.37e+06 0 e 0 222 230 231
142 75.717 4.653 7.425 1 U 4.01e+06 0 e 0 236 243 263
143 75.737 4.659 6.004 1 U 5.79e+06 0 e 0 236 243 241
144 73.755 4.615 6.002 1 U 1.35e+06 0 e 0 237 244 241
145 73.777 4.603 7.427 1 U 9.38e+05 0 e 0 237 244 263
146 73.777 4.608 8.210 1 U 2.13e+06 0 e 0 237 244 248
147 66.054 4.190 8.210 1 U 1.65e+06 0 e 0 239 246 248
148 66.014 4.478 8.215 1 U 1e+06 0 e 0 239 247 248
149 66.054 4.195 6.005 1 U 4.95e+05 0 e 0 239 246 241
150 66.019 4.477 6.009 1 U 6.03e+05 0 e 0 239 247 241
151 93.846 5.478 7.913 1 U 7.1e+05 0 e 0 249 256 276
152 82.673 4.462 7.429 1 U 1.02e+06 0 e 0 252 259 263
153 82.673 4.463 5.473 1 U 1.19e+06 0 e 0 252 259 256
154 75.301 4.591 7.910 1 U 4.76e+06 0 e 0 250 257 276
155 75.298 4.591 5.467 1 U 3.36e+06 0 e 0 250 257 256
156 72.978 4.233 7.427 1 U 2.41e+06 0 e 0 251 258 263
157 72.977 4.234 7.914 1 U 2.02e+06 0 e 0 251 258 276
158 73.038 4.233 5.465 1 U 6.77e+05 0 e 0 251 258 256
159 65.801 4.080 7.425 1 U 1.55e+06 0 e 0 254 261 263
160 65.876 4.424 7.422 1 U 8.16e+05 0 e 0 254 262 263
161 75.684 4.192 7.912 1 U 2.59e+06 0 e 0 265 271 276
162 75.704 4.193 7.988 1 U 6.83e+06 0 e 0 265 271 291
163 75.721 4.192 5.605 1 U 3.54e+06 0 e 0 265 271 288
164 73.062 4.565 5.552 1 U 1.79e+06 0 e 0 266 272 270
165 73.070 4.595 7.988 1 U 4.32e+06 0 e 0 279 286 291
166 73.042 4.554 7.911 1 U 4.19e+06 0 e 0 266 272 276
167 73.106 4.584 5.539 1 U 1.79e+06 0 e 0 279 286 284
168 64.936 4.089 7.909 1 U 1.25e+06 0 e 0 268 274 276
169 64.945 4.480 7.909 1 U 8.1e+05 0 e 0 268 275 276
170 82.358 4.418 7.989 1 U 1.41e+06 0 e 0 280 287 291
171 82.383 4.417 5.538 1 U 2.42e+06 0 e 0 280 287 284
172 75.166 4.573 5.535 1 U 5.11e+06 0 e 0 278 285 284
173 75.127 4.577 7.784 1 U 6.74e+06 0 e 0 278 285 304
174 73.024 4.584 7.787 1 U 3.38e+06 0 e 0 279 286 304
175 92.803 5.776 7.784 1 U 1.06e+06 0 e 0 292 298 304
176 82.056 4.475 7.779 1 U 1.32e+06 0 e 0 295 301 304
177 82.127 4.477 5.780 1 U 2.26e+06 0 e 0 295 301 298
178 75.341 4.491 5.779 1 U 6.06e+06 0 e 0 293 299 298
179 73.018 4.557 5.778 1 U 1.46e+06 0 e 0 294 300 298
180 73.018 4.557 7.788 1 U 3.68e+06 0 e 0 294 300 304
181 65.747 4.166 7.785 1 U 1.73e+06 0 e 0 296 302 304
182 65.698 4.490 7.788 1 U 1.42e+06 0 e 0 296 303 304
183 81.986 4.373 7.654 1 U 1.38e+06 0 e 0 308 315 319
184 81.977 4.372 5.462 1 U 3.05e+06 0 e 0 308 315 312
185 72.011 4.420 5.464 1 U 3.17e+06 0 e 0 307 314 312
186 72.003 4.424 7.650 1 U 5.54e+06 0 e 0 307 314 319
187 72.026 4.422 7.612 1 U 2.58e+06 0 e 0 307 314 334
188 75.639 4.197 5.464 1 U 9.42e+06 0 e 0 306 313 312
189 75.642 4.197 7.610 1 U 7.54e+06 0 e 0 306 313 334
190 64.418 4.038 7.649 1 U 1.17e+06 0 e 0 310 317 319
191 64.539 4.554 7.649 1 U 1.69e+06 0 e 0 32 40 41
192 64.418 4.536 7.649 1 U 1.64e+06 0 e 0 310 318 319
193 83.477 4.133 7.606 1 U 2.4e+06 0 e 0 323 330 334
194 83.512 4.133 5.714 1 U 3.3e+06 0 e 0 323 330 327
195 77.607 3.901 5.714 1 U 7.7e+06 0 e 0 321 328 327
196 77.624 3.904 7.611 1 U 2.12e+06 0 e 0 321 328 334
197 69.671 4.131 5.715 1 U 2.75e+06 0 e 0 322 329 327
198 69.715 4.133 5.473 1 U 1.41e+06 0 e 0 322 329 331
199 69.677 4.129 7.611 1 U 5.97e+06 0 e 0 322 329 334
200 65.141 4.011 7.610 1 U 1.2e+06 0 e 0 325 332 334
201 65.143 4.452 7.610 1 U 1.07e+06 0 e 0 325 333 334
202 75.736 4.551 7.451 1 U 1.66e+06 0 e 0 117 124 144
203 83.354 4.178 5.427 1 U 1.2e+06 0 e 0 133 140 137
204 83.415 4.179 7.447 1 U 1.03e+06 0 e 0 133 140 144
# 205 83.418 4.169 8.149 1 U 8.66e+05 0 e 0 133 140 159 very very weak
# 206 83.294 4.166 5.441 1 U 1.32e+06 0 e 0 133 140 141
207 75.837 4.123 5.433 1 U 3.1e+06 0 e 0 131 138 137
208 75.816 4.123 7.446 1 U 5.44e+06 0 e 0 131 138 144
209 75.770 4.123 8.151 1 U 2.9e+06 0 e 0 131 138 159
210 74.386 4.427 7.446 1 U 5.44e+06 0 e 0 132 139 144
211 74.414 4.425 8.151 1 U 2.01e+06 0 e 0 132 139 159
212 74.386 4.430 5.432 1 U 9.82e+05 0 e 0 132 139 137
213 65.842 4.003 7.446 1 U 1.47e+06 0 e 0 135 142 144
214 65.807 4.215 7.446 1 U 8.76e+05 0 e 0 135 143 144
215 90.727 5.770 8.148 1 U 2.25e+06 0 e 0 145 152 159
216 90.713 5.781 8.223 1 U 8.12e+05 0 e 0 145 152 174
217 84.415 4.352 8.219 1 U 1.01e+06 0 e 0 149 156 174
218 84.437 4.354 8.149 1 U 8.13e+05 0 e 0 149 156 159
219 84.515 4.354 5.769 1 U 2.57e+06 0 e 0 149 156 152
220 76.024 4.538 8.157 1 U 1.67e+06 0 e 0 147 154 159
221 75.773 4.541 8.091 1 U 1.4e+06 0 e 0 117 124 129
222 76.024 4.534 5.768 1 U 2.9e+06 0 e 0 147 154 152
223 75.731 4.548 5.769 1 U 3.56e+06 0 e 0 117 124 122
224 67.023 4.035 8.152 1 U 1.36e+06 0 e 0 150 157 159
225 67.130 4.159 8.151 1 U 8.75e+05 0 e 0 150 158 159
226 66.996 4.031 5.771 1 U 5.19e+05 0 e 0 150 157 152
227 85.231 4.464 8.216 1 U 9.67e+05 0 e 0 164 171 174
228 85.229 4.461 5.941 1 U 4.67e+06 0 e 0 164 171 167
#229 85.187 4.457 7.656 1 U 6.89e+05 0 e 0 164 171 187 # v weak in specrum! (one contour level) A12 C4'-U13-H6
230 76.349 4.684 5.940 1 U 5.35e+06 0 e 0 162 169 167
231 76.320 4.682 8.224 1 U 8.35e+06 0 e 0 162 169 174
232 76.886 4.717 7.656 1 U 1.45e+06 0 e 0 163 170 187
233 76.975 4.722 5.941 1 U 1.7e+06 0 e 0 163 170 167
234 76.975 4.715 8.227 1 U 3.17e+06 0 e 0 163 170 174
235 76.366 4.689 7.652 1 U 1.29e+06 0 e 0 162 169 187
236 67.437 4.126 5.939 1 U 8.48e+05 0 e 0 165 172 167
237 67.424 4.288 8.222 1 U 1.01e+06 0 e 0 165 173 174
238 67.489 4.123 8.224 1 U 1.01e+06 0 e 0 165 172 174
239 85.325 4.360 5.864 1 U 4.14e+06 0 e 0 178 184 181
240 85.540 4.392 5.884 1 U 4.34e+06 0 e 0 192 197 194
241 85.259 4.358 7.657 1 U 1.2e+06 0 e 0 178 184 187
242 85.479 4.382 7.690 1 U 1.04e+06 0 e 0 192 197 199
243 77.168 4.601 7.653 1 U 4.03e+06 0 e 0 177 183 187
# 244 76.871 4.608 7.884 1 U 1.8e+06 0 e 0 191 196 216 testing
245 77.168 4.604 5.864 1 U 1.98e+06 0 e 0 177 183 181
246 76.871 4.612 5.881 1 U 2.22e+06 0 e 0 191 196 194
247 75.794 4.266 7.653 1 U 1.85e+07 0 e 0 176 182 187
248 75.811 4.268 5.863 1 U 6.05e+06 0 e 0 176 182 181
# 249 75.683 4.290 7.879 1 U 1.17e+06 0 e 0 190 195 216 #too weak214 URA H2' 215 RCYT H6 4.40
250 84.664 4.465 7.882 1 U 1.42e+06 0 e 0 205 212 216
251 84.747 4.462 5.894 1 U 2.4e+06 0 e 0 205 212 209
252 67.584 4.181 5.892 1 U 5.88e+05 0 e 0 207 214 209
253 67.583 4.269 7.889 1 U 1.5e+06 0 e 0 207 215 216
254 67.584 4.180 7.885 1 U 2.02e+06 0 e 0 207 214 216
# 255 67.836 3.999 7.678 1 U 1.01e+06 0 e 0 179 186 199
256 67.744 4.006 7.652 1 U 1.24e+06 0 e 0 179 186 187
257 143.659 7.650 5.865 1 U 2.32e+06 0 e 0 180 187 181
258 142.872 7.989 5.605 1 U 5.85e+06 0 e 0 283 291 288
259 76.286 4.604 5.888 1 U 9.14e+05 0 e 0 204 211 209
260 76.144 4.651 8.154 1 U 2.3e+06 0 e 0 148 155 159
261 76.120 4.647 5.767 1 U 8.83e+05 0 e 0 148 155 152
262 76.024 4.541 8.220 1 U 9.5e+05 0 e 0 147 154 174
263 66.152 4.147 4.914 1 U 0.55e+06 0 e 0 6 12 9 # G1 dynamic /2 in Ed 4
264 66.163 4.293 4.920 1 U 0.55e+06 0 e 0 6 13 9 # G1 dynamic /2 in Ed 4
265 75.779 4.663 8.213 1 U 2.99e+06 0 e 0 236 243 248
266 75.307 4.598 7.428 1 U 9.65e+05 0 e 0 250 257 263
267 75.279 4.497 7.784 1 U 1.1e+06 0 e 0 293 299 304
268 90.249 5.864 4.356 1 U 4.31e+06 0 e 0 175 181 184
269 90.149 5.880 4.396 1 U 4.36e+06 0 e 0 189 194 197
270 90.268 5.871 6.880 1 U 9.06e+05 0 e 0 189 194 338
271 67.771 4.004 6.792 1 U 1.4e+06 0 e 0 179 186 340
272 67.805 3.997 7.056 1 U 8.24e+05 0 e 0 179 186 339
273 67.640 4.170 1.489 1 U 8.37e+05 0 e 0 207 214 341
274 67.557 4.279 1.488 1 U 8.57e+05 0 e 0 207 215 341
275 75.782 4.269 6.790 1 U 7.62e+05 0 e 0 176 182 340
276 77.167 4.599 3.088 1 U 9.38e+05 0 e 0 177 183 344
277 85.349 4.360 6.794 1 U 3.12e+06 0 e 0 178 184 340
278 85.328 4.357 7.054 1 U 9.35e+05 0 e 0 178 184 339
279 85.450 4.377 1.495 1 U 2.05e+06 0 e 0 178 184 341
280 75.127 4.651 6.925 1 U 5.19e+05 0 e 0 58 64 69
281 73.892 4.302 5.557 1 U 7.93e+05 0 e 0 87 94 92
282 75.735 4.283 5.880 1 U 4.45e+06 0 e 0 190 195 194
283 75.279 4.500 7.652 1 U 9.2e+06 0 e 0 293 299 319
284 76.301 4.700 7.059 1 U 7.48e+05 0 e 0 162 169 339
285 77.056 4.579 7.058 1 U 4.85e+05 0 e 0 177 183 339
286 85.443 4.383 1.097 1 U 6.17e+05 0 e 0 192 197 335
287 67.877 3.982 1.501 1 U 6.16e+05 0 e 0 179 186 341
288 104.999 5.644 4.332 1 U 2.05e+06 0 e 0 104 111 93
289 90.084 5.939 4.462 1 U 4.73e+06 0 e 0 160 167 171
290 90.129 5.943 4.685 1 U 6.7e+06 0 e 0 160 167 169
291 92.574 5.562 4.331 1 U 4.07e+06 0 e 0 85 92 93
292 92.342 5.894 4.392 1 U 3.61e+06 0 e 0 202 209 210
293 92.342 5.895 4.463 1 U 1.76e+06 0 e 0 202 209 212
294 92.342 5.891 4.593 1 U 9.61e+05 0 e 0 202 209 211
295 90.705 5.770 4.357 1 U 2.82e+06 0 e 0 145 152 156
296 90.715 5.771 4.647 1 U 1.94e+06 0 e 0 145 152 155
297 90.709 5.770 4.534 1 U 2.78e+06 0 e 0 145 152 154
298 93.210 5.662 4.566 1 U 5.09e+06 0 e 0 217 224 225
299 93.197 5.661 4.490 1 U 2.75e+06 0 e 0 217 224 227
300 93.195 5.658 4.531 1 U 2.79e+06 0 e 0 217 224 226
301 92.555 5.422 4.121 1 U 1.85e+06 0 e 0 130 137 138
#302 96.909 5.203 5.467 1 U 7.4e+05 0 e 0 309 316 312 # v weak -spin diff from H6
303 97.707 5.438 7.447 1 U 4.83e+06 0 e 0 134 141 144
304 98.238 5.469 7.609 1 U 6.14e+06 0 e 0 324 331 334
305 98.523 5.920 7.884 1 U 5.47e+06 0 e 0 206 213 216
# 306 98.523 5.925 4.609 1 U 9.1e+05 0 e 0 206 213 196 #214 URA H3' 215 RCYT H5too weak-spd
307 98.461 5.922 4.392 1 U 1.02e+06 0 e 0 206 213 210
# 308 98.573 5.927 4.592 1 U 8e+05 0 e 0 206 213 211
309 98.159 5.472 4.426 1 U 1.32e+06 0 e 0 324 331 314
310 98.292 5.470 4.198 1 U 1.59e+06 0 e 0 324 331 313
311 98.261 5.467 4.134 1 U 1.47e+06 0 e 0 324 331 329
312 98.280 5.476 5.211 1 U 7.25e+05 0 e 0 324 331 316
313 97.670 5.440 4.420 1 U 7.36e+05 0 e 0 134 141 139
314 97.542 5.258 7.651 1 U 5.55e+06 0 e 0 31 38 41
315 96.951 5.207 7.650 1 U 5.97e+06 0 e 0 309 316 319
316 96.951 5.208 4.562 1 U 1.17e+06 0 e 0 309 316 300
317 96.951 5.208 4.494 1 U 1.3e+06 0 e 0 309 316 299
318 96.951 5.202 4.430 1 U 7.79e+05 0 e 0 309 316 314
319 97.542 5.257 4.545 1 U 2.04e+06 0 e 0 31 38 21
320 97.542 5.257 4.573 1 U 1.61e+06 0 e 0 31 38 22
321 103.598 5.039 7.342 1 U 4.11e+06 0 e 0 89 96 99
322 104.021 5.605 7.992 1 U 5.58e+06 0 e 0 281 288 291
323 104.284 5.750 7.883 1 U 8.69e+06 0 e 0 221 228 231
# 324 104.232 5.753 4.392 1 U 1.11e+06 0 e 0 221 228 230
325 104.269 5.751 4.578 1 U 1.08e+06 0 e 0 221 228 225
326 104.022 5.606 4.194 1 U 2.08e+06 0 e 0 281 288 271
327 103.640 5.039 4.594 1 U 5.66e+05 0 e 0 89 96 80
328 103.497 5.035 4.445 1 U 6.85e+05 0 e 0 89 96 79
329 84.775 4.468 4.183 1 U 9.36e+06 0 e 0 205 212 214
330 84.634 4.464 4.278 1 U 9.25e+06 0 e 0 205 212 215
331 84.579 4.355 4.031 1 U 9.79e+06 0 e 0 149 156 157
332 84.532 4.357 4.159 1 U 8.37e+06 0 e 0 149 156 158
# 333 84.532 4.356 4.212 1 U 2.71e+06 0 e 0 149 156 143 It this assignment correct??
334 84.514 4.356 4.645 1 U 5.95e+06 0 e 0 149 156 155
335 83.351 4.168 4.427 1 U 7.36e+06 0 e 0 133 140 139
336 83.351 4.174 3.998 1 U 8.06e+06 0 e 0 133 140 142
337 75.787 4.126 4.426 1 U 1.2e+07 0 e 0 131 138 139
338 74.384 4.424 4.124 1 U 9.72e+06 0 e 0 132 139 138
339 74.368 4.427 4.171 1 U 5.17e+06 0 e 0 132 139 140
340 74.390 4.423 4.016 1 U 1.87e+06 0 e 0 132 139 157
341 74.468 4.422 3.993 1 U 1.71e+06 0 e 0 132 139 142
342 74.104 4.319 4.414 1 U 4.51e+06 0 e 0 87 94 95
343 73.994 4.528 4.247 1 U 6.1e+06 0 e 0 102 109 108
344 94.089 5.555 4.194 1 U 4.92e+06 0 e 0 264 270 271
345 143.716 7.698 5.883 1 U 1.61e+06 0 e 0 193 199 194
346 143.716 7.655 5.685 1 U 1.17e+07 0 e 0 180 187 185
347 143.716 7.701 5.697 1 U 6.42e+06 0 e 0 193 199 198
348 142.042 7.721 5.643 1 U 6.82e+06 0 e 0 106 114 111
349 142.039 7.724 4.537 1 U 3.05e+06 0 e 0 106 114 109
350 142.051 7.723 4.329 1 U 6.87e+06 0 e 0 106 114 93
351 142.087 7.723 4.256 1 U 1.91e+06 0 e 0 106 114 108
352 142.057 7.721 4.414 1 U 1.25e+06 0 e 0 106 114 110
353 141.699 7.609 5.467 1 U 6.82e+06 0 e 0 326 334 331
354 141.779 7.607 5.715 1 U 1.08e+06 0 e 0 326 334 327
355 141.165 7.650 5.208 1 U 5.98e+06 0 e 0 311 319 316
356 142.076 7.445 5.437 1 U 5.66e+06 0 e 0 136 144 141
357 142.062 7.445 4.425 1 U 6.37e+06 0 e 0 136 144 139
358 142.087 7.443 4.124 1 U 4.75e+06 0 e 0 136 144 138
359 142.082 7.445 4.501 1 U 3.09e+06 0 e 0 136 144 125
360 142.119 7.446 4.172 1 U 1.49e+06 0 e 0 136 144 140
361 141.641 7.423 5.147 1 U 3.84e+06 0 e 0 255 263 260
362 141.661 7.425 4.654 1 U 3.55e+06 0 e 0 255 263 243
363 141.658 7.428 4.237 1 U 2.1e+06 0 e 0 255 263 258
364 141.665 7.422 4.604 1 U 1.84e+06 0 e 0 255 263 244
365 141.641 7.427 4.459 1 U 1.75e+06 0 e 0 255 263 259
366 141.641 7.425 5.458 1 U 1.95e+06 0 e 0 255 263 256
367 140.740 7.648 5.261 1 U 6.04e+06 0 e 0 33 41 38
368 141.134 7.650 4.426 1 U 4.86e+06 0 e 0 311 319 314
369 140.788 7.651 5.509 1 U 1.08e+06 0 e 0 33 41 34
370 141.108 7.653 5.466 1 U 1.66e+06 0 e 0 311 319 312
371 141.108 7.645 4.200 1 U 1.25e+06 0 e 0 311 319 313
372 141.559 7.351 5.562 1 U 5.76e+05 0 e 0 91 99 92
373 141.562 7.339 5.039 1 U 4.35e+06 0 e 0 91 99 96
374 141.566 7.345 4.599 1 U 1.35e+06 0 e 0 91 99 80
375 141.559 7.343 4.442 1 U 3.43e+06 0 e 0 91 99 79
376 141.576 7.341 4.323 1 U 3.42e+06 0 e 0 91 99 94
377 141.559 7.341 4.333 1 U 3.06e+06 0 e 0 91 99 93
378 139.527 7.677 4.647 1 U 6.12e+06 0 e 0 76 84 64
379 139.522 7.676 4.247 1 U 2.46e+06 0 e 0 76 84 65
380 139.593 7.675 5.510 1 U 8.38e+05 0 e 0 76 84 63
381 139.552 7.686 5.929 1 U 9.37e+05 0 e 0 76 84 77
382 141.097 7.649 4.550 1 U 8.49e+06 0 e 0 311 319 300
383 142.081 7.448 5.777 1 U 6.44e+05 0 e 0 136 144 122
384 142.097 7.446 4.541 1 U 2.8e+06 0 e 0 136 144 124
385 142.004 7.724 5.573 1 U 8.55e+05 0 e 0 106 114 92
#386 83.493 4.141 5.467 1 U 7.53e+05 0 e 0 323 330 312 #s.d. or noise
387 142.840 7.984 5.538 1 U 1.46e+06 0 e 0 283 291 284
388 142.848 7.989 4.194 1 U 5.37e+06 0 e 0 283 291 271
389 142.872 7.987 4.560 1 U 2.59e+06 0 e 0 283 291 272
390 142.872 7.988 5.557 1 U 1.26e+06 0 e 0 283 291 270
391 138.893 8.081 4.918 1 U 5.04e+06 0 e 0 7 14 9
392 138.865 8.079 5.753 1 U 1.47e+06 0 e 0 7 14 8
393 138.911 8.083 4.673 1 U 2.44e+06 0 e 0 7 14 10
394 138.909 8.079 4.145 1 U 1.98e+06 0 e 0 7 14 12
395 139.463 7.983 6.012 1 U 8.82e+05 0 e 0 48 56 49
396 139.526 7.993 5.516 1 U 8.23e+05 0 e 0 48 56 34
397 139.434 7.974 4.661 1 U 3.00e+06 0 e 0 48 56 52 # OL with H2': 1/2
398 139.508 7.984 4.527 1 U 7.47e+06 0 e 0 48 56 35
399 139.483 7.986 4.558 1 U 3.81e+06 0 e 0 48 56 36
400 139.434 7.983 4.472 1 U 1.43e+06 0 e 0 48 56 53
401 140.392 8.207 6.005 1 U 1.6e+06 0 e 0 240 248 241
402 140.474 8.213 5.664 1 U 6.66e+05 0 e 0 240 248 224
403 140.411 8.210 4.652 1 U 2.7e+06 0 e 0 240 248 243
404 140.423 8.210 4.611 1 U 3.76e+06 0 e 0 240 248 244
405 140.394 8.212 4.564 1 U 6.02e+06 0 e 0 240 248 225
406 140.392 8.211 4.533 1 U 4.29e+06 0 e 0 240 248 226
407 140.349 8.205 4.468 1 U 1.02e+06 0 e 0 240 248 247
408 140.797 8.091 5.767 1 U 1.8e+06 0 e 0 121 129 122
409 140.848 8.090 4.538 1 U 4.55e+06 0 e 0 121 129 124
410 140.857 8.090 4.504 1 U 3.39e+06 0 e 0 121 129 125
411 140.836 8.089 4.425 1 U 1.91e+06 0 e 0 121 129 126
412 140.839 8.091 4.249 1 U 5.38e+06 0 e 0 121 129 108
413 140.827 8.083 5.432 1 U 6.18e+05 0 e 0 121 129 141
414 141.605 8.151 5.773 1 U 2.15e+06 0 e 0 151 159 152
415 141.812 8.224 5.941 1 U 4.42e+06 0 e 0 166 174 167
416 141.698 7.911 5.715 1 U 6.42e+06 0 e 0 269 276 273
417 141.625 8.152 4.128 1 U 3.02e+06 0 e 0 151 159 138
418 141.601 8.150 4.425 1 U 2.84e+06 0 e 0 151 159 139
419 141.601 8.152 4.644 1 U 3.51e+06 0 e 0 151 159 155
420 141.698 8.150 4.536 1 U 3.64e+06 0 e 0 151 159 154
421 141.680 7.912 4.591 1 U 3.31e+06 0 e 0 269 276 257
422 141.683 7.912 4.560 1 U 3.22e+06 0 e 0 269 276 272
423 141.706 7.911 4.233 1 U 1.53e+06 0 e 0 269 276 258
424 141.817 8.221 4.685 1 U 1e+07 0 e 0 166 174 169
425 141.817 8.224 4.651 1 U 5.16e+06 0 e 0 166 174 155
426 141.808 8.223 4.539 1 U 1.94e+06 0 e 0 166 174 154
427 141.895 8.228 4.734 1 U 2.54e+06 0 e 0 166 174 170
428 141.815 8.219 4.460 1 U 1.07e+06 0 e 0 166 174 171
# 429 141.895 8.225 4.353 1 U 1.06e+06 0 e 0 166 174 156 #noise/spin diff from H1' in spectra
430 143.191 7.883 5.752 1 U 9.52e+06 0 e 0 223 231 228
431 143.191 7.882 5.658 1 U 1.25e+06 0 e 0 223 231 224
432 143.191 7.884 4.565 1 U 3.1e+06 0 e 0 223 231 225
433 144.128 7.884 4.393 1 U 7.02e+06 0 e 0 208 216 210
434 144.154 7.884 5.919 1 U 5.47e+06 0 e 0 208 216 213
435 144.154 7.886 4.589 1 U 2.67e+06 0 e 0 208 216 211
436 143.265 7.882 4.533 1 U 3.6e+06 0 e 0 223 231 226
# 437 144.152 7.882 4.287 1 U 1.07e+06 0 e 0 208 216 215 - fixed assignment(no,not correctly)
438 154.633 7.962 5.556 1 U 3.9e+06 0 e 0 71 78 270
439 152.448 6.935 5.509 1 U 1.21e+06 0 e 0 43 50 63
440 152.466 6.933 5.781 1 U 1e+06 0 e 0 43 50 298
441 141.061 7.657 5.778 1 U 1.03e+06 0 e 0 311 319 298
442 140.795 7.645 5.888 1 U 5.53e+05 0 e 0 33 41 20
443 103.295 5.148 7.424 1 U 4.12e+06 0 e 0 253 260 263
444 94.077 5.553 7.964 1 U 2.52e+06 0 e 0 264 270 78
#445 82.445 4.485 6.925 1 U 1.14e+06 0 e 0 60 66 50
446 93.094 5.522 7.802 1 U 1.34e+06 0 e 0 100 107 242
447 85.611 4.410 6.969 1 U 6.19e+05 0 e 0 192 197 337
448 85.623 4.393 6.883 1 U 5.95e+05 0 e 0 192 197 338
449 90.064 5.942 4.736 1 U 2.23e+06 0 e 0 160 167 170
450 141.559 7.348 4.416 1 U 1.91e+06 0 e 0 91 99 95
451 92.537 5.554 7.962 1 U 5.39e+05 0 e 0 85 92 78
452 92.574 5.558 4.408 1 U 1.92e+06 0 e 0 85 92 95
453 75.751 4.328 5.644 1 U 1.7e+06 0 e 0 86 93 111
454 104.986 5.648 5.035 1 U 8.74e+05 0 e 0 104 111 96
455 140.895 8.084 7.716 1 U 7.56e+05 0 e 0 121 129 114
# 456 140.904 8.087 4.410 1 U 1.78e+06 0 e 0 121 129 110
457 92.584 5.431 4.169 1 U 8.05e+05 0 e 0 130 137 140
458 141.600 8.149 4.534 1 U 3.64e+06 0 e 0 151 159 154
459 141.543 8.153 4.353 1 U 8.63e+05 0 e 0 151 159 156
460 141.588 8.153 4.168 1 U 1.45e+06 0 e 0 151 159 158
461 141.543 8.153 4.020 1 U 9.06e+05 0 e 0 151 159 157
# 462 90.671 5.776 4.437 1 U 1e+06 0 e 0 145 152 139
463 90.704 5.764 4.126 1 U 8.46e+05 0 e 0 145 152 138
# 464 75.759 4.281 5.924 1 U 1.01e+06 0 e 0 190 195 213 #214 URA H2' 215 RCYT H5 spd?
# 465 76.880 4.608 5.915 1 U 8.9e+05 0 e 0 191 196 213 #214 URA H3' 215 RCYT H5 testing
# 466 85.567 4.390 7.883 1 U 9.96e+05 0 e 0 192 197 216 #214 URA H3' 215 RCYT H6 testing
467 84.664 4.461 4.590 1 U 4.4e+06 0 e 0 205 212 211
468 143.134 7.884 4.532 1 U 3.6e+06 0 e 0 223 231 226
469 143.134 7.888 4.179 1 U 1.48e+06 0 e 0 223 231 229
470 143.134 7.884 4.390 1 U 2.92e+06 0 e 0 223 231 230
471 104.284 5.755 4.181 1 U 6.11e+05 0 e 0 221 228 229
472 104.284 5.755 4.529 1 U 7.96e+05 0 e 0 221 228 226
473 75.359 4.537 5.257 1 U 2.03e+06 0 e 0 16 21 38
# 474 75.287 4.491 5.211 1 U 1.77e+06 0 e 0 293 299 316
475 75.341 4.588 5.718 1 U 1.39e+06 0 e 0 250 257 273
476 75.409 4.565 6.002 1 U 1.2e+06 0 e 0 218 225 241
477 75.409 4.544 6.010 1 U 1.29e+06 0 e 0 28 35 49
478 74.190 4.532 5.753 1 U 9.43e+05 0 e 0 219 226 228
479 140.364 8.206 4.186 1 U 9.83e+05 0 e 0 240 248 246
480 75.728 4.650 5.158 1 U 7.63e+05 0 e 0 236 243 260
481 73.766 4.607 5.155 1 U 8.56e+05 0 e 0 237 244 260
482 82.446 4.527 4.917 1 U 9.95e+05 0 e 0 18 23 9
483 141.557 7.424 6.005 1 U 7.63e+05 0 e 0 255 263 241
484 104.778 5.709 5.149 1 U 7.83e+05 0 e 0 267 273 260
485 104.975 5.713 4.562 1 U 8.24e+05 0 e 0 267 273 272
486 141.708 7.909 5.547 1 U 8.09e+05 0 e 0 269 276 270
487 141.738 7.907 4.191 1 U 8.84e+05 0 e 0 269 276 271
488 141.706 7.921 4.085 1 U 5.38e+05 0 e 0 269 276 274
489 136.582 6.912 4.669 1 U 2.58e+06 0 e 0 297 69 52
490 136.591 6.926 5.513 1 U 6.3e+05 0 e 0 62 69 63
491 136.591 6.913 4.483 1 U 9.73e+05 0 e 0 62 69 66
492 136.591 6.913 4.309 1 U 1.44e+06 0 e 0 62 69 68
493 136.591 6.913 4.253 1 U 1.79e+06 0 e 0 62 69 65
494 136.591 6.916 4.642 1 U 2.08e+06 0 e 0 62 69 64
495 136.557 6.921 4.013 1 U 2.15e+06 0 e 0 62 69 67
# 496 104.028 5.607 4.581 1 U 9.48e+05 0 e 0 281 288 285
497 104.028 5.611 4.598 1 U 9.57e+05 0 e 0 281 288 286
;
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 . . 12 ppm . . . 4.7 . . 34259 5
2 . . C 13 C . aliased 24.6 ppm . . . 75.03 . . 34259 5
3 . . H 1 H . . 6.5 ppm . . . 4.7 . . 34259 5
stop_
save_