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 34424
_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.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 6
_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 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
1 56.695 113.201 8.185 1 U 4.31e+07 0 e 0 114 132 128
2 30.907 113.186 8.186 1 U 2.58e+07 0 e 0 115 132 128
3 63.160 133.719 9.829 1 U 2.74e+07 0 e 0 100 123 117
4 37.171 133.709 9.836 1 U 1.56e+07 0 e 0 101 123 117
5 72.925 114.160 8.302 1 U 2.31e+07 0 e 0 126 142 137
6 59.318 114.139 8.303 1 U 3.37e+07 0 e 0 125 142 137
7 43.219 123.473 8.802 1 U 8.72e+07 0 e 0 94 112 105
8 52.813 111.342 9.407 1 U 6.21e+07 0 e 0 86 98 95
9 40.672 111.350 9.406 1 U 1.24e+08 0 e 0 87 98 95
10 47.593 120.913 7.700 1 U 1.76e+08 0 e 0 80 92 88
11 39.470 109.426 7.860 1 U 1.22e+08 0 e 0 73 84 81
12 53.129 109.440 7.859 1 U 7.17e+07 0 e 0 72 84 81
13 40.764 118.014 8.640 1 U 5.69e+07 0 e 0 59 78 74
14 55.805 117.997 8.639 1 U 1.46e+08 0 e 0 58 78 74
15 40.326 118.014 8.626 1 U 8.48e+07 0 e 0 1089 1111 1105
16 52.152 129.575 9.154 1 U 4.06e+07 0 e 0 50 70 63
17 41.676 129.582 9.155 1 U 7.07e+07 0 e 0 51 70 63
18 55.498 118.199 8.353 1 U 5.2e+07 0 e 0 36 56 52
19 45.075 118.191 8.351 1 U 4.15e+07 0 e 0 37 56 52
20 50.517 118.858 8.955 1 U 7.55e+07 0 e 0 29 48 41
21 25.032 118.842 8.956 1 U 1.07e+08 0 e 0 30 48 41
22 54.617 124.319 9.199 1 U 3.61e+07 0 e 0 15 34 31
23 44.098 124.356 9.198 1 U 3.02e+07 0 e 0 16 34 31
24 43.762 119.091 8.605 1 U 1.15e+07 0 e 0 3 13 10
25 53.089 119.051 8.599 1 U 1.1e+07 0 e 0 2 13 10
26 53.873 127.778 8.852 1 U 4.12e+06 0 e 0 1394 1416 1410
27 41.447 127.699 8.883 1 U 7.59e+06 0 e 0 1395 1416 1410
28 56.686 125.021 8.752 1 U 7.42e+06 0 e 0 322 339 335
29 46.140 124.763 8.738 1 U 7.06e+06 0 e 0 0 0 0
30 53.955 132.923 8.810 1 U 1.64e+07 0 e 0 1198 1217 1214
31 42.363 132.988 8.811 1 U 2.09e+07 0 e 0 1199 1217 1214
32 68.656 128.379 8.675 1 U 4.2e+07 0 e 0 405 428 418
33 64.272 128.368 8.674 1 U 4.14e+07 0 e 0 404 428 418
34 32.091 127.778 8.747 1 U 2.42e+07 0 e 0 772 792 784
35 69.770 127.028 8.289 1 U 8.75e+06 0 e 0 0 0 0
36 63.843 126.592 8.349 1 U 1.03e+07 0 e 0 0 0 0
37 62.268 126.140 8.365 1 U 4.19e+07 0 e 0 0 0 0
38 54.155 126.433 8.347 1 U 3.52e+07 0 e 0 1150 1165 1160
39 38.344 126.437 8.345 1 U 6.14e+07 0 e 0 1151 1165 1160
40 58.398 126.151 8.556 1 U 5.23e+07 0 e 0 473 490 487
41 40.242 126.131 8.555 1 U 5.19e+07 0 e 0 474 490 487
42 63.682 124.803 8.302 1 U 4.96e+07 0 e 0 169 181 178
43 58.432 124.804 8.304 1 U 2.66e+07 0 e 0 168 181 178
44 38.659 125.035 8.317 1 U 2.01e+07 0 e 0 0 0 0
45 65.324 124.671 8.741 1 U 8.56e+06 0 e 0 0 0 0
46 54.021 124.136 8.073 1 U 8.27e+07 0 e 0 1045 1065 1061
47 43.216 124.069 8.073 1 U 7.77e+07 0 e 0 1046 1065 1061
48 40.999 124.269 8.075 1 U 9.32e+07 0 e 0 0 0 0
49 54.174 123.618 7.196 1 U 3.17e+07 0 e 0 205 231 224
50 44.582 123.660 7.196 1 U 2.65e+07 0 e 0 206 231 224
51 55.179 122.559 8.063 1 U 1.18e+08 0 e 0 1067 1086 1083
52 40.946 122.621 8.062 1 U 9.4e+07 0 e 0 1068 1086 1083
53 52.508 121.685 9.152 1 U 1.91e+07 0 e 0 1380 1403 1398
54 44.554 121.693 9.152 1 U 1.71e+07 0 e 0 1381 1403 1398
55 54.831 121.662 9.350 1 U 6.85e+07 0 e 0 1219 1237 1233
56 32.105 121.665 9.351 1 U 3.22e+07 0 e 0 1220 1237 1233
57 54.698 121.136 5.860 1 U 2.28e+07 0 e 0 150 166 161
58 36.106 121.165 5.859 1 U 1.96e+07 0 e 0 151 166 161
59 62.237 120.580 8.373 1 U 1.05e+08 0 e 0 1122 1141 1135
60 54.004 120.394 8.395 1 U 1.83e+07 0 e 0 0 0 0
61 33.984 120.563 8.372 1 U 4.36e+07 0 e 0 1123 1141 1135
62 45.083 120.217 9.050 1 U 9.31e+07 0 e 0 1240 1252 1248
63 55.355 119.668 9.264 1 U 9.1e+07 0 e 0 1230 1244 1241
64 34.042 119.651 9.264 1 U 5.54e+07 0 e 0 1231 1244 1241
65 54.604 119.040 9.003 1 U 4.93e+07 0 e 0 219 242 237
66 52.832 119.176 9.025 1 U 7e+07 0 e 0 747 769 764
67 42.914 119.045 9.004 1 U 4.59e+07 0 e 0 220 242 237
68 34.227 119.199 9.025 1 U 4.92e+07 0 e 0 748 769 764
69 54.911 119.191 7.276 1 U 1.24e+08 0 e 0 558 578 574
70 39.876 119.169 7.276 1 U 9.92e+07 0 e 0 559 578 574
71 66.594 118.332 8.950 1 U 1.65e+08 0 e 0 1247 1261 1257
72 57.825 118.319 8.950 1 U 9.89e+07 0 e 0 1246 1261 1257
73 56.561 118.329 6.965 1 U 6.25e+07 0 e 0 905 928 921
74 30.257 118.348 6.965 1 U 3.23e+07 0 e 0 906 928 921
75 51.934 117.845 7.363 1 U 1.45e+08 0 e 0 1081 1096 1092
76 18.663 117.837 7.363 1 U 2.63e+08 0 e 0 1082 1096 1092
77 50.496 117.246 8.827 1 U 1.04e+08 0 e 0 1330 1350 1342
78 22.470 117.236 8.827 1 U 1.83e+08 0 e 0 1331 1350 1342
79 58.311 116.395 8.007 1 U 1.36e+08 0 e 0 547 570 563
80 55.536 116.494 8.001 1 U 3.03e+07 0 e 0 0 0 0
81 42.435 116.430 8.000 1 U 2.16e+07 0 e 0 0 0 0
82 29.638 116.411 8.007 1 U 1.15e+08 0 e 0 548 570 563
83 56.580 115.976 6.690 1 U 2.48e+07 0 e 0 353 373 368
84 31.059 115.955 6.692 1 U 1.64e+07 0 e 0 354 373 368
85 57.415 116.078 7.695 1 U 6.71e+07 0 e 0 1337 1364 1357
86 54.558 116.152 7.678 1 U 8.34e+06 0 e 0 0 0 0
87 37.983 116.248 7.715 1 U 2.56e+07 0 e 0 0 0 0
88 34.379 116.082 7.695 1 U 6.61e+07 0 e 0 1338 1364 1357
89 20.066 116.263 7.702 1 U 8.96e+06 0 e 0 0 0 0
90 45.422 114.516 7.244 1 U 6.85e+07 0 e 0 302 320 313
91 54.823 114.146 8.300 1 U 8.74e+06 0 e 0 0 0 0
92 54.183 113.466 9.371 1 U 1.18e+08 0 e 0 930 951 947
93 33.682 113.465 9.370 1 U 8.32e+07 0 e 0 931 951 947
94 54.652 112.147 6.793 1 U 2.45e+07 0 e 0 1133 1142 1139
95 38.735 112.293 6.823 1 U 1.75e+07 0 e 0 0 0 0
96 37.754 112.174 6.790 1 U 2.14e+07 0 e 0 1134 1142 1139
97 57.695 112.033 7.735 1 U 1.8e+07 0 e 0 0 0 0
98 42.445 112.217 7.740 1 U 1.01e+07 0 e 0 0 0 0
99 54.595 112.230 7.538 1 U 2.81e+07 0 e 0 1133 1142 1140
100 53.294 112.415 7.530 1 U 2.7e+07 0 e 0 0 0 0
101 45.301 112.370 7.530 1 U 2.77e+08 0 e 0 1306 1319 1315
102 38.731 112.463 7.541 1 U 2.31e+07 0 e 0 0 0 0
103 37.805 112.230 7.538 1 U 2.28e+07 0 e 0 1134 1142 1140
104 33.592 111.558 7.527 1 U 9.63e+06 0 e 0 0 0 0
105 53.561 111.946 6.809 1 U 1.9e+07 0 e 0 0 0 0
106 38.530 111.943 6.811 1 U 1.72e+07 0 e 0 0 0 0
107 33.521 111.687 6.802 1 U 1.78e+07 0 e 0 0 0 0
108 29.398 111.891 6.799 1 U 8.18e+06 0 e 0 0 0 0
109 29.091 111.557 6.803 1 U 1.02e+07 0 e 0 0 0 0
110 57.825 107.323 7.065 1 U 7.56e+07 0 e 0 492 512 508
111 32.920 107.336 7.067 1 U 6.84e+07 0 e 0 493 512 508
112 54.353 107.838 9.041 1 U 9.17e+07 0 e 0 1353 1370 1367
113 37.472 107.821 9.041 1 U 6.28e+07 0 e 0 1354 1370 1367
114 59.093 128.521 9.637 1 U 1.81e+07 0 e 0 852 872 868
115 39.701 128.485 9.637 1 U 1.02e+07 0 e 0 853 872 868
116 33.805 111.834 7.731 1 U 8.56e+07 0 e 0 714 722 720
117 28.054 111.851 7.730 1 U 5.14e+07 0 e 0 712 722 720
118 58.551 106.956 7.207 1 U 9.05e+06 0 e 0 333 343 342
119 33.644 111.955 6.783 1 U 1.39e+07 0 e 0 0 0 0
120 29.461 111.912 6.782 1 U 1.13e+07 0 e 0 0 0 0
121 33.802 111.697 7.035 1 U 7.88e+07 0 e 0 714 722 719
122 28.048 111.695 7.036 1 U 4.66e+07 0 e 0 712 722 719
123 34.542 111.238 7.519 1 U 3.56e+07 0 e 0 1025 1035 1031
124 32.396 111.239 7.519 1 U 2.43e+07 0 e 0 1023 1035 1031
125 54.189 111.178 6.844 1 U 9.93e+06 0 e 0 0 0 0
126 37.268 111.147 6.845 1 U 9.9e+06 0 e 0 0 0 0
127 34.529 111.211 6.822 1 U 2.9e+07 0 e 0 1025 1035 1030
128 32.387 111.187 6.823 1 U 2.7e+07 0 e 0 1023 1035 1030
129 34.677 110.261 6.419 1 U 1.16e+07 0 e 0 783 793 788
130 53.275 108.997 8.128 1 U 8.65e+07 0 e 0 451 463 460
131 41.007 109.202 8.128 1 U 2.08e+07 0 e 0 0 0 0
132 39.603 108.994 8.128 1 U 1.3e+08 0 e 0 452 463 460
133 54.742 118.347 7.317 1 U 4.89e+07 0 e 0 514 524 521
134 17.810 118.351 7.318 1 U 6.72e+07 0 e 0 515 524 521
135 53.922 125.916 8.996 1 U 4.98e+07 0 e 0 1100 1119 1117
136 35.752 125.932 8.993 1 U 5.61e+07 0 e 0 1101 1119 1117
137 53.657 120.347 8.082 1 U 2.42e+07 0 e 0 0 0 0
138 53.623 120.289 8.070 1 U 2.83e+07 0 e 0 0 0 0
139 38.468 120.359 8.070 1 U 6e+07 0 e 0 0 0 0
140 55.511 119.862 8.239 1 U 1.74e+07 0 e 0 0 0 0
141 68.463 116.675 7.559 1 U 8.77e+07 0 e 0 1287 1303 1297
142 64.486 116.667 7.558 1 U 7.69e+07 0 e 0 1286 1303 1297
143 45.459 120.374 7.939 1 U 3.46e+08 0 e 0 0 0 0
144 61.382 122.826 8.135 1 U 1.62e+07 0 e 0 157 174 170
145 40.989 122.986 8.140 1 U 3.11e+07 0 e 0 0 0 0
146 54.525 119.864 8.177 1 U 1.02e+08 0 e 0 519 538 531
147 18.416 119.883 8.175 1 U 1.23e+08 0 e 0 520 538 531
148 51.481 112.827 7.304 1 U 8.6e+06 0 e 0 652 661 658
149 54.443 112.608 7.646 1 U 1.36e+07 0 e 0 894 903 901
150 36.680 112.618 7.646 1 U 1.55e+07 0 e 0 895 903 901
151 55.036 113.240 7.706 1 U 9.67e+07 0 e 0 612 636 629
152 38.897 113.237 7.706 1 U 3.46e+08 0 e 0 613 636 629
153 51.497 112.006 7.127 1 U 8.46e+06 0 e 0 588 597 594
154 45.573 112.089 7.126 1 U 1.28e+07 0 e 0 0 0 0
155 55.067 127.626 9.012 1 U 1.83e+07 0 e 0 1144 1153 1152
156 34.644 127.636 9.009 1 U 2.65e+07 0 e 0 1145 1153 1152
157 55.242 107.730 8.683 1 U 2.06e+07 0 e 0 1155 1171 1168
158 39.837 107.724 8.672 1 U 1.05e+07 0 e 0 1156 1171 1168
159 36.761 113.243 7.853 1 U 1.92e+07 0 e 0 0 0 0
160 51.443 111.554 6.300 1 U 8.23e+06 0 e 0 817 825 823
161 47.058 120.300 8.995 1 U 6.22e+07 0 e 0 1366 1378 1374
162 71.821 125.364 8.367 1 U 9.57e+07 0 e 0 1322 1335 1332
163 59.903 125.381 8.367 1 U 9.12e+07 0 e 0 1321 1335 1332
164 38.639 125.116 8.349 1 U 1.11e+07 0 e 0 0 0 0
165 54.245 114.279 7.727 1 U 1.33e+07 0 e 0 346 362 356
166 18.647 114.353 7.732 1 U 1.75e+07 0 e 0 347 362 356
167 45.418 120.383 8.591 1 U 6.19e+07 0 e 0 199 217 210
168 58.469 113.158 8.787 1 U 1.57e+07 0 e 0 376 387 384
169 40.111 113.159 8.785 1 U 2.43e+07 0 e 0 377 387 384
170 52.943 126.805 8.958 1 U 3.25e+07 0 e 0 1372 1392 1385
171 43.143 126.761 8.956 1 U 4.11e+07 0 e 0 1373 1392 1385
172 45.519 118.280 7.619 1 U 1.08e+07 0 e 0 0 0 0
173 18.569 117.954 7.613 1 U 8.58e+06 0 e 0 0 0 0
174 56.652 114.157 8.018 1 U 2.4e+07 0 e 0 828 844 840
175 38.280 113.983 8.026 1 U 1.03e+07 0 e 0 0 0 0
176 27.378 114.213 8.016 1 U 2.83e+07 0 e 0 829 844 840
177 46.570 115.446 8.661 1 U 2.29e+07 0 e 0 383 394 390
178 51.454 111.361 8.387 1 U 1e+07 0 e 0 0 0 0
179 20.842 111.360 8.387 1 U 1.26e+07 0 e 0 0 0 0
180 55.554 115.552 7.445 1 U 3.28e+07 0 e 0 1212 1228 1222
181 19.298 115.550 7.448 1 U 6e+07 0 e 0 1213 1228 1222
182 46.194 121.175 8.731 1 U 1.69e+07 0 e 0 846 864 857
183 61.083 125.218 8.548 1 U 3.82e+07 0 e 0 0 0 0
184 44.371 114.860 7.925 1 U 2.19e+07 0 e 0 0 0 0
185 52.280 119.407 8.201 1 U 4.61e+07 0 e 0 8 27 20
186 41.927 119.092 8.179 1 U 9.3e+06 0 e 0 0 0 0
187 23.209 119.363 8.201 1 U 7.04e+07 0 e 0 9 27 20
188 60.698 129.348 9.515 1 U 2.85e+07 0 e 0 760 778 773
189 33.745 129.388 9.514 1 U 1.69e+07 0 e 0 761 778 773
190 72.721 128.782 9.157 1 U 4.17e+07 0 e 0 1190 1210 1203
191 61.619 128.778 9.157 1 U 4.4e+07 0 e 0 1189 1210 1203
192 62.892 128.471 7.776 1 U 1.75e+07 0 e 0 867 883 877
193 53.062 128.354 7.776 1 U 1.11e+07 0 e 0 866 883 877
194 56.791 128.093 9.812 1 U 9.33e+07 0 e 0 638 660 654
195 35.786 128.078 9.812 1 U 4.29e+07 0 e 0 639 660 654
196 63.179 127.885 9.227 1 U 6.47e+07 0 e 0 1008 1034 1026
197 38.197 127.867 9.227 1 U 3e+07 0 e 0 1009 1034 1026
198 59.636 127.559 8.468 1 U 1.52e+07 0 e 0 133 148 145
199 54.690 127.840 8.466 1 U 8.38e+07 0 e 0 677 690 687
200 41.131 127.846 8.466 1 U 8.36e+07 0 e 0 678 690 687
201 35.691 127.569 8.460 1 U 8.17e+06 0 e 0 134 148 145
202 58.360 127.817 8.366 1 U 4.47e+07 0 e 0 308 332 326
203 42.035 127.781 8.357 1 U 1.78e+07 0 e 0 309 332 326
204 53.741 127.506 8.199 1 U 8.39e+06 0 e 0 0 0 0
205 52.696 127.590 8.201 1 U 2.41e+07 0 e 0 795 815 808
206 40.018 127.416 8.205 1 U 8.97e+06 0 e 0 0 0 0
207 37.677 127.569 8.208 1 U 4.07e+07 0 e 0 796 815 808
208 70.480 127.005 9.089 1 U 7.08e+07 0 e 0 1265 1283 1277
209 62.019 127.012 9.089 1 U 7.34e+07 0 e 0 1264 1283 1277
210 59.431 126.681 9.351 1 U 8.63e+07 0 e 0 624 650 643
211 42.794 126.694 9.350 1 U 5.33e+07 0 e 0 625 650 643
212 53.651 126.371 10.235 1 U 5.89e+07 0 e 0 430 449 446
213 41.784 126.344 10.238 1 U 3.69e+07 0 e 0 431 449 446
214 56.366 125.100 8.912 1 U 4.38e+07 0 e 0 413 442 435
215 33.539 125.078 8.915 1 U 5.92e+07 0 e 0 414 442 435
216 54.231 124.845 8.820 1 U 3.46e+07 0 e 0 781 801 797
217 31.045 124.856 8.820 1 U 5e+07 0 e 0 782 801 797
218 53.308 124.242 9.002 1 U 8.31e+07 0 e 0 572 586 582
219 39.643 124.255 9.001 1 U 1.67e+08 0 e 0 573 586 582
220 58.419 123.048 8.590 1 U 3.63e+07 0 e 0 874 892 889
221 27.442 123.045 8.590 1 U 1.85e+07 0 e 0 875 892 889
222 53.545 122.776 8.908 1 U 3.98e+07 0 e 0 916 942 934
223 43.775 122.815 8.907 1 U 3.7e+07 0 e 0 917 942 934
224 52.392 122.065 8.019 1 U 1.37e+08 0 e 0 692 707 703
225 20.406 122.058 8.020 1 U 2.83e+08 0 e 0 693 707 703
226 54.936 121.517 7.724 1 U 7.83e+07 0 e 0 1059 1079 1072
227 41.461 121.517 7.724 1 U 1.39e+08 0 e 0 1060 1079 1072
228 59.753 121.440 8.100 1 U 1.84e+08 0 e 0 967 987 981
229 52.294 121.257 8.103 1 U 8.49e+06 0 e 0 0 0 0
230 29.421 121.438 8.099 1 U 1.4e+08 0 e 0 968 987 981
231 46.972 121.308 8.179 1 U 2.11e+08 0 e 0 1002 1020 1013
232 64.564 121.335 7.111 1 U 1.56e+08 0 e 0 726 745 738
233 59.193 121.346 7.111 1 U 1.16e+08 0 e 0 725 745 738
234 54.847 121.205 8.836 1 U 6.6e+07 0 e 0 733 757 751
235 42.415 121.206 8.836 1 U 6.03e+07 0 e 0 734 757 751
236 54.696 119.883 8.515 1 U 6.15e+07 0 e 0 1133 1148 1146
237 41.827 119.633 8.509 1 U 2e+07 0 e 0 0 0 0
238 37.787 119.892 8.513 1 U 1.75e+08 0 e 0 1134 1148 1146
239 19.164 120.074 8.504 1 U 9.75e+06 0 e 0 0 0 0
240 69.903 119.670 7.755 1 U 4.84e+07 0 e 0 945 965 958
241 61.077 119.691 7.754 1 U 4.71e+07 0 e 0 944 965 958
242 59.238 119.367 8.528 1 U 4.71e+07 0 e 0 233 256 248
243 53.040 119.270 8.517 1 U 1.49e+08 0 e 0 670 683 679
244 36.443 119.381 8.527 1 U 1.5e+07 0 e 0 234 256 248
245 18.317 119.255 8.517 1 U 2.54e+08 0 e 0 671 683 679
246 54.122 118.921 7.465 1 U 1.53e+08 0 e 0 663 675 672
247 17.834 118.918 7.465 1 U 2.64e+08 0 e 0 664 675 672
248 47.832 118.854 8.003 1 U 2e+08 0 e 0 599 610 606
249 65.913 118.740 9.170 1 U 9.58e+07 0 e 0 1038 1057 1050
250 56.978 118.740 9.171 1 U 7.3e+07 0 e 0 1037 1057 1050
251 59.408 118.332 8.560 1 U 1.51e+08 0 e 0 953 976 970
252 38.186 118.357 8.560 1 U 9.38e+07 0 e 0 954 976 970
253 55.593 118.331 8.272 1 U 5.94e+07 0 e 0 1115 1131 1126
254 41.041 118.316 8.269 1 U 9.96e+07 0 e 0 1116 1131 1126
255 54.483 118.378 8.335 1 U 2.12e+07 0 e 0 0 0 0
256 41.051 118.366 8.329 1 U 4.82e+07 0 e 0 0 0 0
257 18.429 118.280 8.604 1 U 8.77e+06 0 e 0 0 0 0
258 58.845 117.947 7.012 1 U 1.3e+08 0 e 0 978 999 994
259 29.462 117.938 7.012 1 U 1e+08 0 e 0 979 999 994
260 53.011 117.926 10.106 1 U 5.8e+07 0 e 0 604 621 615
261 40.038 117.928 10.106 1 U 1.25e+08 0 e 0 605 621 615
262 45.063 117.861 8.076 1 U 2.76e+08 0 e 0 459 471 467
263 54.462 117.518 7.969 1 U 7.85e+07 0 e 0 894 914 908
264 36.731 117.509 7.970 1 U 1.17e+08 0 e 0 895 914 908
265 47.399 117.182 7.738 1 U 1.62e+08 0 e 0 288 300 296
266 44.952 117.334 7.756 1 U 1.4e+08 0 e 0 1175 1187 1183
267 64.132 116.716 7.872 1 U 1.89e+08 0 e 0 581 596 590
268 60.639 116.712 7.872 1 U 1.37e+08 0 e 0 580 596 590
269 59.712 116.763 7.874 1 U 8.14e+06 0 e 0 0 0 0
270 57.310 116.704 7.879 1 U 9.69e+06 0 e 0 0 0 0
271 26.653 116.671 7.880 1 U 1.18e+07 0 e 0 0 0 0
272 55.489 116.552 9.526 1 U 1.66e+08 0 e 0 685 697 694
273 18.475 116.549 9.526 1 U 2.44e+08 0 e 0 686 697 694
274 64.153 116.328 8.353 1 U 6.18e+07 0 e 0 466 481 477
275 57.928 116.353 8.354 1 U 5.04e+07 0 e 0 465 481 477
276 56.322 116.559 7.512 1 U 5.42e+07 0 e 0 183 197 193
277 41.281 116.541 7.514 1 U 5.66e+07 0 e 0 184 197 193
278 54.589 116.117 7.583 1 U 1.02e+08 0 e 0 176 189 185
279 20.041 116.110 7.583 1 U 1.66e+08 0 e 0 177 189 185
280 56.212 115.987 8.918 1 U 8.92e+07 0 e 0 1254 1271 1267
281 41.357 115.994 8.919 1 U 9.46e+07 0 e 0 1255 1271 1267
282 51.503 115.511 7.579 1 U 8.2e+07 0 e 0 652 668 665
283 39.275 115.509 7.580 1 U 1.19e+08 0 e 0 653 668 665
284 54.750 115.385 6.997 1 U 1.33e+08 0 e 0 540 556 550
285 17.994 115.387 6.997 1 U 1.97e+08 0 e 0 541 556 550
286 57.668 114.494 7.946 1 U 1.65e+08 0 e 0 711 731 727
287 28.074 114.506 7.946 1 U 1.44e+08 0 e 0 712 731 727
288 55.159 113.992 7.812 1 U 1.93e+08 0 e 0 444 457 453
289 18.051 113.985 7.812 1 U 2.75e+08 0 e 0 445 457 453
290 56.350 113.497 8.880 1 U 1.02e+08 0 e 0 1273 1293 1289
291 33.991 113.493 8.880 1 U 7.22e+07 0 e 0 1274 1293 1289
292 51.531 113.296 7.935 1 U 2.91e+07 0 e 0 817 835 831
293 36.919 113.299 7.934 1 U 5.98e+07 0 e 0 818 835 831
294 63.334 113.113 8.588 1 U 1.14e+08 0 e 0 699 721 715
295 40.566 113.111 8.588 1 U 9.86e+07 0 e 0 700 721 715
296 57.977 111.672 7.856 1 U 1.5e+08 0 e 0 803 825 819
297 42.431 111.682 7.856 1 U 8.23e+07 0 e 0 804 825 819
298 70.875 111.740 8.131 1 U 1.13e+08 0 e 0 1313 1328 1324
299 61.785 111.739 8.131 1 U 1.25e+08 0 e 0 1312 1328 1324
300 56.057 111.481 8.491 1 U 1.21e+08 0 e 0 887 902 896
301 18.451 111.475 8.491 1 U 1.7e+08 0 e 0 888 902 896
302 54.258 109.062 7.896 1 U 1.48e+08 0 e 0 989 1006 1003
303 43.287 109.073 7.895 1 U 1.13e+08 0 e 0 990 1006 1003
304 56.766 109.042 8.204 1 U 1.36e+08 0 e 0 1022 1043 1039
305 54.257 109.011 8.209 1 U 3.26e+07 0 e 0 0 0 0
306 53.296 108.810 8.216 1 U 8.01e+06 0 e 0 0 0 0
307 41.047 108.963 8.209 1 U 6.59e+07 0 e 0 0 0 0
308 32.457 109.047 8.204 1 U 8.89e+07 0 e 0 1023 1043 1039
309 52.221 107.949 8.201 1 U 8.21e+07 0 e 0 1295 1310 1307
310 37.066 107.953 8.201 1 U 1.82e+08 0 e 0 1296 1310 1307
311 51.522 107.682 7.394 1 U 8.04e+07 0 e 0 588 601 600
312 37.483 107.683 7.394 1 U 1.54e+08 0 e 0 589 601 600
313 51.528 107.228 7.527 1 U 5.53e+07 0 e 0 280 292 289
314 36.973 107.251 7.526 1 U 1.3e+08 0 e 0 281 292 289
315 62.457 121.966 8.481 1 U 9.53e+06 0 e 0 0 0 0
316 52.492 122.033 8.466 1 U 2.29e+07 0 e 0 1418 1430 1427
317 19.955 121.942 8.466 1 U 3.85e+07 0 e 0 1419 1430 1427
318 63.778 122.298 8.428 1 U 5.53e+07 0 e 0 0 0 0
319 58.372 122.326 8.429 1 U 2.87e+07 0 e 0 0 0 0
320 55.489 122.229 8.432 1 U 9.48e+06 0 e 0 0 0 0
321 45.852 121.333 8.544 1 U 1.25e+07 0 e 0 0 0 0
322 53.302 121.372 8.006 1 U 3.75e+07 0 e 0 0 0 0
323 52.291 121.192 8.034 1 U 4.08e+07 0 e 0 0 0 0
324 38.705 121.376 8.007 1 U 7.76e+07 0 e 0 0 0 0
325 19.041 121.193 8.031 1 U 5.05e+07 0 e 0 0 0 0
326 52.422 119.836 8.284 1 U 1.46e+07 0 e 0 0 0 0
327 19.288 119.776 8.282 1 U 1.89e+07 0 e 0 0 0 0
328 56.930 118.583 8.215 1 U 1.07e+08 0 e 0 526 545 542
329 41.791 118.615 8.215 1 U 5.94e+07 0 e 0 527 545 542
330 51.200 119.606 8.015 1 U 1.43e+07 0 e 0 1425 1437 1433
331 22.333 119.603 8.024 1 U 2.73e+07 0 e 0 1426 1437 1433
332 43.806 117.063 8.176 1 U 2.03e+07 0 e 0 0 0 0
333 54.595 110.184 8.148 1 U 1.9e+07 0 e 0 0 0 0
334 33.487 110.163 8.145 1 U 3.17e+07 0 e 0 0 0 0
335 63.616 109.617 6.836 1 U 2.12e+07 0 e 0 0 0 0
336 58.611 109.684 6.829 1 U 1.1e+07 0 e 0 0 0 0
337 19.250 118.998 8.162 1 U 3.72e+07 0 e 0 0 0 0
338 65.196 120.423 8.945 1 U 7.7e+06 0 e 0 0 0 0
339 56.925 120.256 8.943 1 U 5.41e+06 0 e 0 0 0 0
340 61.666 127.053 8.299 1 U 7.94e+06 0 e 0 0 0 0
341 61.833 126.961 8.245 1 U 6.86e+06 0 e 0 0 0 0
342 69.736 126.939 8.245 1 U 5.5e+06 0 e 0 0 0 0
343 55.177 128.373 7.693 1 U 1.76e+07 0 e 0 0 0 0
344 42.137 128.248 7.693 1 U 1.82e+07 0 e 0 0 0 0
345 41.430 116.171 10.429 1 U 1.18e+07 0 e 0 839 850 847
346 52.825 116.137 10.423 1 U 6e+06 0 e 0 838 850 847
347 51.383 111.732 7.863 1 U 9.17e+06 0 e 0 817 826 824
348 36.690 111.716 7.864 1 U 4.8e+06 0 e 0 818 826 824
349 52.685 127.757 8.741 1 U 1.92e+07 0 e 0 771 792 784
350 45.668 120.343 8.227 1 U 1.23e+08 0 e 0 0 0 0
351 56.499 120.325 8.246 1 U 2.94e+07 0 e 0 0 0 0
352 19.820 118.257 8.303 1 U 7.79e+07 0 e 0 486 503 497
353 51.967 118.249 8.303 1 U 5.41e+07 0 e 0 485 503 497
354 41.797 117.466 7.670 1 U 3.93e+06 0 e 0 397 411 407
355 53.705 117.652 7.672 1 U 3.69e+06 0 e 0 396 411 407
356 42.545 120.066 8.439 1 U 2.64e+07 0 e 0 365 380 378
357 61.032 120.592 8.393 1 U 7.79e+06 0 e 0 0 0 0
358 56.580 115.976 6.690 1 U 2.48e+07 0 e 0 353 373 368
359 31.059 115.955 6.692 1 U 1.64e+07 0 e 0 354 373 368
360 53.587 120.055 8.439 1 U 3.66e+07 0 e 0 364 380 378
361 41.216 120.411 8.400 1 U 2.7e+07 0 e 0 0 0 0
362 52.044 112.518 10.197 1 U 5.17e+07 0 e 0 294 306 303
363 37.764 112.527 10.195 1 U 1.17e+08 0 e 0 295 306 303
364 56.776 113.008 7.784 1 U 1.28e+08 0 e 0 266 286 282
365 43.734 113.016 7.784 1 U 9.12e+07 0 e 0 267 286 282
366 52.989 127.215 8.304 1 U 3.89e+07 0 e 0 258 278 271
367 39.334 127.186 8.309 1 U 6.95e+07 0 e 0 259 278 271
368 56.056 123.638 8.919 1 U 4e+07 0 e 0 244 264 260
369 34.354 123.646 8.920 1 U 3.2e+07 0 e 0 245 264 260
370 43.100 99.363 7.528 1 U 6.46e+07 0 e 0 192 203 200
371 52.782 99.368 7.528 1 U 4.25e+07 0 e 0 191 203 200
372 19.236 122.250 8.151 1 U 1.42e+07 0 e 0 0 0 0
373 42.231 122.456 8.030 1 U 4.18e+07 0 e 0 0 0 0
374 42.215 121.783 7.982 1 U 6.59e+06 0 e 0 0 0 0
375 38.797 121.992 8.202 1 U 5.62e+07 0 e 0 0 0 0
376 38.646 122.150 8.107 1 U 6.51e+07 0 e 0 0 0 0
377 55.818 117.997 8.624 1 U 1.49e+08 0 e 0 1088 1111 1105
378 45.459 118.636 8.254 1 U 6.34e+07 0 e 0 0 0 0
379 38.492 107.037 8.689 1 U 1.18e+07 0 e 0 1173 1179 1176
380 52.004 117.418 8.655 1 U 9.99e+06 0 e 0 1181 1196 1192
381 40.773 117.457 8.670 1 U 1.57e+07 0 e 0 1182 1196 1192
382 44.334 106.842 7.211 1 U 7.62e+06 0 e 0 334 343 342
383 53.393 124.284 8.411 1 U 6.96e+06 0 e 0 1406 1423 1420
384 42.092 124.224 8.406 1 U 8.87e+06 0 e 0 1407 1423 1420
385 58.517 124.944 6.507 1 U 6.14e+06 0 e 0 0 0 0
386 63.138 124.874 6.522 1 U 7.57e+06 0 e 0 0 0 0
387 38.672 125.348 8.544 1 U 1.32e+07 0 e 0 0 0 0
388 46.087 120.567 8.518 1 U 1.4e+07 0 e 0 0 0 0
389 45.783 120.958 8.569 1 U 6.52e+06 0 e 0 0 0 0
390 65.275 121.086 8.532 1 U 5.43e+06 0 e 0 0 0 0
391 30.550 120.461 8.234 1 U 2.22e+07 0 e 0 0 0 0
392 58.222 126.646 7.757 1 U 2.18e+07 0 e 0 0 0 0
393 63.910 126.649 7.759 1 U 4.81e+07 0 e 0 0 0 0
394 55.499 126.695 7.776 1 U 1.65e+08 0 e 0 1441 1448 1447
395 42.448 126.685 7.776 1 U 1.91e+08 0 e 0 1442 1448 1447
396 57.983 123.785 8.088 1 U 4.92e+07 0 e 0 1438 1444 1443
397 39.349 123.780 8.086 1 U 8.83e+07 0 e 0 1439 1444 1443
398 32.878 124.797 8.748 1 U 3.59e+06 0 e 0 323 339 335
399 39.604 127.618 8.453 1 U 4.29e+06 0 e 0 0 0 0
400 33.143 116.801 7.980 1 U 2.94e+07 0 e 0 0 0 0
401 56.285 116.857 7.977 1 U 2.99e+07 0 e 0 0 0 0
402 54.323 115.372 7.936 1 U 1.98e+07 0 e 0 0 0 0
403 41.401 115.379 7.935 1 U 4.14e+07 0 e 0 0 0 0
404 39.172 115.386 8.049 1 U 4.28e+07 0 e 0 0 0 0
405 53.224 115.344 8.047 1 U 2.24e+07 0 e 0 0 0 0
406 45.301 115.509 8.054 1 U 2.99e+07 0 e 0 0 0 0
407 19.984 121.919 8.309 1 U 9.94e+06 0 e 0 0 0 0
408 52.894 121.859 8.292 1 U 4.6e+06 0 e 0 0 0 0
409 45.342 120.180 7.875 1 U 1.88e+08 0 e 0 0 0 0
410 38.818 111.811 6.653 1 U 2.77e+07 0 e 0 613 622 619
411 38.836 112.066 7.518 1 U 4.4e+07 0 e 0 613 622 620
412 38.971 112.013 6.649 1 U 1.66e+07 0 e 0 613 622 619
413 38.928 111.911 7.520 1 U 3.61e+07 0 e 0 613 622 620
414 55.014 111.931 7.516 1 U 3.45e+07 0 e 0 612 622 620
415 55.031 111.799 6.653 1 U 3.21e+07 0 e 0 612 622 619
416 36.835 111.564 6.302 1 U 4.29e+06 0 e 0 818 825 823
417 31.058 110.202 6.416 1 U 6.83e+06 0 e 0 782 793 788
418 34.681 110.299 7.281 1 U 6.52e+06 0 e 0 783 793 789
419 31.017 110.476 7.280 1 U 3.87e+06 0 e 0 782 793 789
420 34.469 110.212 6.816 1 U 9.46e+06 0 e 0 0 0 0
421 37.085 110.189 6.918 1 U 5.58e+06 0 e 0 1296 1304 1301
422 52.153 110.114 6.920 1 U 7.62e+06 0 e 0 1295 1304 1301
423 52.160 110.098 7.673 1 U 9.47e+06 0 e 0 1295 1304 1302
424 36.972 110.161 7.670 1 U 4.95e+06 0 e 0 1296 1304 1302
425 53.313 112.379 6.857 1 U 3.29e+07 0 e 0 0 0 0
426 38.742 112.386 6.854 1 U 2.64e+07 0 e 0 0 0 0
427 54.343 112.669 6.934 1 U 1.41e+07 0 e 0 894 903 900
428 36.744 112.439 6.942 1 U 1.05e+07 0 e 0 895 903 900
429 38.450 112.748 6.938 1 U 5.74e+06 0 e 0 0 0 0
430 56.733 112.141 7.798 1 U 2.81e+06 0 e 0 0 0 0
431 51.461 112.004 7.790 1 U 7.57e+06 0 e 0 588 597 595
432 37.360 111.999 7.130 1 U 6.39e+06 0 e 0 589 597 594
433 37.355 112.014 7.788 1 U 7.41e+06 0 e 0 589 597 595
434 51.596 112.912 7.710 1 U 6.27e+06 0 e 0 652 661 659
435 38.848 113.112 7.787 1 U 9.53e+06 0 e 0 653 661 659
436 39.454 113.030 7.309 1 U 3.06e+06 0 e 0 653 661 658
437 28.204 113.894 7.851 1 U 8.32e+06 0 e 0 0 0 0
438 45.535 121.165 8.183 1 U 6.7e+06 0 e 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 13297.872 Hz . . . 4.703 . . 34424 1
2 . . C 13 C-aliphatic . aliased 9560.229 Hz . . . 40.663 . . 34424 1
3 . . H 1 H . . 13297.872 Hz . . . 4.703 . . 34424 1
stop_
save_