Content for NMR-STAR saveframe, "spectral_peak_list_3"
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 28058
_Spectral_peak_list.ID 3
_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 3
_Spectral_peak_list.Experiment_name '3D HBHA(CO)NH'
_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
1 53.846 132.053 8.699 1 U 2.46e+07 0 e 0 1259 1278 1275
2 42.737 132.003 8.703 1 U 3.73e+07 0 e 0 1260 1278 1275
3 41.476 129.527 9.110 1 U 6.81e+07 0 e 0 51 70 63
4 52.075 129.507 9.111 1 U 2.92e+07 0 e 0 50 70 63
5 52.831 99.166 7.482 1 U 2.95e+07 0 e 0 201 213 210
6 43.147 99.168 7.481 1 U 6.32e+07 0 e 0 202 213 210
7 33.591 129.171 9.533 1 U 1.67e+07 0 e 0 787 814 804
8 60.918 129.131 9.535 1 U 2.56e+07 0 e 0 786 814 804
9 61.716 128.781 9.169 1 U 2.63e+07 0 e 0 1250 1271 1264
10 72.644 128.767 9.169 1 U 3.81e+07 0 e 0 1251 1271 1264
11 64.404 128.445 8.725 1 U 2.39e+07 0 e 0 402 425 416
12 68.939 128.372 8.726 1 U 2.37e+07 0 e 0 403 425 416
13 63.128 128.444 7.774 1 U 7.06e+06 0 e 0 900 918 910
14 53.382 128.444 7.768 1 U 2.29e+06 0 e 0 899 918 910
15 35.705 128.032 9.817 1 U 3.1e+07 0 e 0 662 684 678
16 56.851 128.042 9.816 1 U 5.01e+07 0 e 0 661 684 678
17 38.251 127.876 9.245 1 U 2.11e+07 0 e 0 1052 1077 1069
18 63.205 127.859 9.246 1 U 4.02e+07 0 e 0 1051 1077 1069
19 32.052 127.824 8.712 1 U 2.59e+07 0 e 0 798 829 821
20 52.871 127.840 8.714 1 U 1.82e+07 0 e 0 797 829 821
21 41.197 127.808 8.486 1 U 4.37e+07 0 e 0 702 714 711
22 54.836 127.811 8.485 1 U 3.56e+07 0 e 0 701 714 711
23 42.111 127.716 8.356 1 U 1.37e+07 0 e 0 315 340 333
24 58.320 127.778 8.354 1 U 2.58e+07 0 e 0 314 340 333
25 52.714 127.601 8.247 1 U 1.72e+07 0 e 0 832 852 845
26 37.732 127.612 8.250 1 U 4.34e+07 0 e 0 833 852 845
27 53.215 127.259 8.397 1 U 4.22e+07 0 e 0 264 284 277
28 39.540 127.312 8.397 1 U 1.02e+08 0 e 0 265 284 277
29 55.253 127.028 7.890 1 U 1.13e+08 0 e 0 1541 1558 1554
30 42.466 127.027 7.891 1 U 1.3e+08 0 e 0 1542 1558 1554
31 62.107 126.994 9.109 1 U 4.03e+07 0 e 0 1332 1352 1346
32 70.583 127.013 9.110 1 U 5.31e+07 0 e 0 1333 1352 1346
33 42.808 126.709 9.331 1 U 4.37e+07 0 e 0 648 673 666
34 59.521 126.706 9.330 1 U 5.73e+07 0 e 0 647 673 666
35 38.370 126.577 8.418 1 U 5.86e+07 0 e 0 1210 1227 1222
36 54.045 126.573 8.418 1 U 2.55e+07 0 e 0 1209 1227 1222
37 42.409 126.516 7.747 1 U 1.47e+07 0 e 0 0 0 0
38 55.142 126.608 7.746 1 U 1.46e+07 0 e 0 0 0 0
39 41.887 126.297 10.221 1 U 2.15e+07 0 e 0 429 448 445
40 53.778 126.292 10.220 1 U 3.17e+07 0 e 0 428 448 445
41 40.099 126.231 8.643 1 U 4.52e+07 0 e 0 473 489 486
42 58.362 126.211 8.644 1 U 4e+07 0 e 0 472 489 486
43 42.767 125.631 8.248 1 U 2.35e+07 0 e 0 1444 1463 1456
44 53.696 125.590 8.255 1 U 1.4e+07 0 e 0 1443 1463 1456
45 55.907 125.611 7.739 1 U 7.82e+07 0 e 0 0 0 0
46 31.864 125.637 7.737 1 U 2.88e+07 0 e 0 0 0 0
47 40.689 125.631 8.496 1 U 4.64e+07 0 e 0 1466 1491 1484
48 53.795 125.595 8.496 1 U 3.27e+07 0 e 0 1465 1491 1484
49 72.038 125.000 8.317 1 U 7.43e+07 0 e 0 1393 1406 1403
50 59.803 124.945 8.319 1 U 5.99e+07 0 e 0 1392 1406 1403
51 63.727 125.245 8.331 1 U 3e+07 0 e 0 179 191 188
52 58.591 125.300 8.326 1 U 1.61e+07 0 e 0 178 191 188
53 33.379 125.099 8.919 1 U 3.86e+07 0 e 0 412 440 433
54 56.104 125.145 8.918 1 U 2.35e+07 0 e 0 411 440 433
55 31.228 124.799 8.816 1 U 4.65e+07 0 e 0 818 838 834
56 54.167 124.843 8.815 1 U 2.97e+07 0 e 0 817 838 834
57 64.859 124.689 8.729 1 U 4.04e+06 0 e 0 525 540 537
58 38.206 124.681 8.732 1 U 1.95e+07 0 e 0 526 540 537
59 39.557 124.204 9.001 1 U 1.4e+08 0 e 0 595 608 604
60 53.398 124.137 9.001 1 U 4.9e+07 0 e 0 594 608 604
61 55.355 124.201 9.349 1 U 1.89e+07 0 e 0 15 34 31
62 43.726 124.133 9.348 1 U 2.23e+07 0 e 0 16 34 31
63 43.257 124.253 8.015 1 U 4.57e+07 0 e 0 1089 1109 1105
64 53.904 124.142 8.017 1 U 5.75e+07 0 e 0 1088 1109 1105
65 34.258 123.753 8.957 1 U 3.01e+07 0 e 0 251 270 266
66 56.074 123.700 8.956 1 U 3.16e+07 0 e 0 250 270 266
67 44.772 123.579 7.338 1 U 2.83e+07 0 e 0 216 237 230
68 54.000 123.600 7.336 1 U 2.59e+07 0 e 0 215 237 230
69 58.422 123.080 8.617 1 U 2.34e+07 0 e 0 907 927 924
70 27.451 123.051 8.613 1 U 1.16e+07 0 e 0 908 927 924
71 40.933 122.852 8.055 1 U 6.58e+07 0 e 0 1112 1131 1128
72 55.238 122.918 8.055 1 U 7.57e+07 0 e 0 1111 1131 1128
73 43.705 122.845 8.883 1 U 4.92e+07 0 e 0 953 980 971
74 53.589 122.874 8.884 1 U 4.2e+07 0 e 0 952 980 971
75 44.674 122.621 9.249 1 U 1.16e+07 0 e 0 1452 1477 1470
76 52.857 122.676 9.249 1 U 1.1e+07 0 e 0 1451 1477 1470
77 20.283 122.068 8.031 1 U 1.56e+08 0 e 0 717 731 727
78 52.338 122.083 8.030 1 U 9.33e+07 0 e 0 716 731 727
79 41.564 121.676 7.760 1 U 1.17e+08 0 e 0 1104 1123 1116
80 55.041 121.612 7.759 1 U 5.33e+07 0 e 0 1103 1123 1116
81 32.253 121.476 9.379 1 U 3.42e+07 0 e 0 1281 1301 1295
82 55.029 121.442 9.375 1 U 5.16e+07 0 e 0 1280 1301 1295
83 29.414 121.416 8.122 1 U 8.34e+07 0 e 0 1009 1029 1023
84 59.821 121.424 8.124 1 U 1.09e+08 0 e 0 1008 1029 1023
85 54.701 121.379 5.914 1 U 5.76e+06 0 e 0 157 176 171
86 46.896 121.318 8.207 1 U 1.47e+08 0 e 0 1044 1063 1056
87 59.288 121.181 7.117 1 U 8.36e+07 0 e 0 749 769 762
88 64.573 121.179 7.117 1 U 1.19e+08 0 e 0 750 769 762
89 42.512 120.982 8.825 1 U 5.13e+07 0 e 0 758 783 775
90 54.904 121.004 8.825 1 U 5.1e+07 0 e 0 757 783 775
91 47.703 120.989 7.742 1 U 1.5e+08 0 e 0 81 93 89
92 33.941 120.631 8.452 1 U 3.38e+07 0 e 0 1170 1189 1183
93 62.176 120.681 8.453 1 U 7.65e+07 0 e 0 1169 1189 1183
94 45.207 119.951 9.101 1 U 5.98e+07 0 e 0 1305 1317 1313
95 45.694 120.054 8.491 1 U 7.66e+07 0 e 0 209 224 219
96 37.809 119.892 8.533 1 U 1.42e+08 0 e 0 1181 1206 1198
97 54.700 119.848 8.536 1 U 3.22e+07 0 e 0 1180 1206 1198
98 34.278 119.854 9.358 1 U 4.09e+07 0 e 0 1292 1309 1306
99 55.429 119.869 9.357 1 U 6.21e+07 0 e 0 1291 1309 1306
100 42.587 119.843 8.674 1 U 2.57e+07 0 e 0 369 386 382
101 53.231 119.834 8.674 1 U 3.03e+07 0 e 0 368 386 382
102 61.226 119.645 7.741 1 U 4.26e+07 0 e 0 984 1005 998
103 69.922 119.714 7.741 1 U 4.21e+07 0 e 0 985 1005 998
104 18.501 119.579 8.119 1 U 8.54e+07 0 e 0 543 561 554
105 54.494 119.606 8.120 1 U 6.13e+07 0 e 0 542 561 554
106 47.476 119.521 8.860 1 U 6.57e+07 0 e 0 1437 1449 1445
107 34.218 119.420 9.084 1 U 3.99e+07 0 e 0 772 795 790
108 52.888 119.482 9.084 1 U 5.33e+07 0 e 0 771 795 790
109 40.042 119.348 7.345 1 U 6.87e+07 0 e 0 581 600 596
110 55.048 119.320 7.344 1 U 8.72e+07 0 e 0 580 600 596
111 18.324 119.279 8.528 1 U 1.67e+08 0 e 0 695 707 703
112 53.094 119.260 8.528 1 U 1.07e+08 0 e 0 694 707 703
113 59.286 119.346 8.527 1 U 2.67e+07 0 e 0 239 262 254
114 24.255 119.158 8.960 1 U 8.93e+07 0 e 0 30 48 41
115 50.299 119.170 8.959 1 U 5.9e+07 0 e 0 29 48 41
116 17.856 118.921 7.486 1 U 1.75e+08 0 e 0 688 699 696
117 54.098 118.916 7.486 1 U 9.72e+07 0 e 0 687 699 696
118 56.941 118.892 8.379 1 U 7.74e+07 0 e 0 549 568 565
119 41.837 118.893 8.380 1 U 5.91e+07 0 e 0 550 568 565
120 47.911 118.841 8.027 1 U 1.52e+08 0 e 0 622 633 629
121 57.122 118.780 9.197 1 U 5.76e+07 0 e 0 1080 1100 1093
122 65.958 118.779 9.197 1 U 7.02e+07 0 e 0 1081 1100 1093
123 19.477 118.306 8.388 1 U 7.79e+07 0 e 0 485 500 496
124 52.118 118.360 8.388 1 U 4.8e+07 0 e 0 484 500 496
125 41.033 118.132 8.272 1 U 8.43e+07 0 e 0 1161 1178 1173
126 55.595 118.151 8.272 1 U 4.43e+07 0 e 0 1160 1178 1173
127 44.938 118.050 8.364 1 U 3.23e+07 0 e 0 37 56 52
128 41.108 118.298 8.330 1 U 1.7e+07 0 e 0 0 0 0
129 57.836 118.579 8.985 1 U 5.72e+07 0 e 0 1311 1328 1324
130 66.676 118.598 8.986 1 U 1.17e+08 0 e 0 1312 1328 1324
131 30.205 118.451 6.997 1 U 3.09e+07 0 e 0 942 964 957
132 56.542 118.475 6.997 1 U 4.62e+07 0 e 0 941 964 957
133 38.222 118.299 8.588 1 U 6.5e+07 0 e 0 994 1017 1011
134 59.426 118.316 8.588 1 U 9.28e+07 0 e 0 993 1017 1011
135 61.742 117.804 8.589 1 U -6.32e+05 0 e 0 2 27 20
136 33.308 117.734 8.591 1 U 2.24e+07 0 e 0 3 27 20
137 55.781 117.984 8.657 1 U 6.91e+07 0 e 0 1133 1156 1150
138 40.309 117.979 8.656 1 U 6.43e+07 0 e 0 1134 1156 1150
139 29.442 117.975 7.045 1 U 7.38e+07 0 e 0 1021 1041 1036
140 58.975 117.967 7.045 1 U 9.19e+07 0 e 0 1020 1041 1036
141 40.082 117.944 10.130 1 U 9.87e+07 0 e 0 628 644 638
142 53.085 117.919 10.130 1 U 4.03e+07 0 e 0 627 644 638
143 45.064 117.879 8.104 1 U 1.73e+08 0 e 0 458 470 466
144 54.804 117.867 7.315 1 U 7.42e+07 0 e 0 535 547 544
145 52.022 117.869 7.325 1 U 1.17e+08 0 e 0 1126 1141 1137
146 18.608 117.854 7.324 1 U 1.82e+08 0 e 0 1127 1141 1137
147 17.845 117.880 7.315 1 U 1.17e+08 0 e 0 536 547 544
148 40.849 117.755 8.713 1 U 5.11e+07 0 e 0 59 79 75
149 55.971 117.742 8.713 1 U 6.05e+07 0 e 0 58 79 75
150 40.727 117.630 8.819 1 U 2.43e+07 0 e 0 1241 1257 1253
151 50.579 117.128 8.807 1 U 7.48e+07 0 e 0 1401 1421 1413
152 22.437 117.129 8.807 1 U 1.28e+08 0 e 0 1402 1421 1413
153 21.528 117.583 8.816 1 U 6.25e+06 0 e 0 0 0 0
154 52.160 117.576 8.819 1 U 6.82e+06 0 e 0 1240 1257 1253
155 36.724 117.542 7.983 1 U 8.47e+07 0 e 0 930 950 944
156 54.518 117.581 7.982 1 U 5.04e+07 0 e 0 929 950 944
157 45.068 117.485 7.717 1 U 1.07e+08 0 e 0 1234 1246 1242
158 47.464 117.073 7.750 1 U 1.49e+08 0 e 0 294 306 302
159 60.811 116.628 7.893 1 U 8.03e+07 0 e 0 602 619 613
160 64.147 116.677 7.894 1 U 1.31e+08 0 e 0 603 619 613
161 55.577 116.606 9.550 1 U 9.34e+07 0 e 0 709 721 718
162 18.503 116.621 9.550 1 U 1.24e+08 0 e 0 710 721 718
163 29.696 116.495 8.057 1 U 8.1e+07 0 e 0 571 592 585
164 58.489 116.476 8.056 1 U 9.91e+07 0 e 0 570 592 585
165 46.784 116.485 7.979 1 U 1.98e+07 0 e 0 0 0 0
166 58.017 116.453 8.367 1 U 2.96e+07 0 e 0 464 480 476
167 64.307 116.452 8.367 1 U 4.13e+07 0 e 0 465 480 476
168 41.349 116.403 7.507 1 U 4.22e+07 0 e 0 194 207 203
169 56.303 116.384 7.511 1 U 2.83e+07 0 e 0 193 207 203
170 20.011 116.063 7.614 1 U 1.22e+08 0 e 0 187 199 195
171 51.664 115.576 7.600 1 U 4.13e+07 0 e 0 675 692 689
172 39.286 115.534 7.601 1 U 9.57e+07 0 e 0 676 692 689
173 54.634 116.037 7.613 1 U 7.55e+07 0 e 0 186 199 195
174 19.624 116.044 7.127 1 U 6.78e+07 0 e 0 1274 1289 1283
175 55.435 116.066 7.127 1 U 4.41e+07 0 e 0 1273 1289 1283
176 41.443 115.978 8.928 1 U 6.61e+07 0 e 0 1321 1339 1335
177 56.188 115.998 8.928 1 U 5.68e+07 0 e 0 1320 1339 1335
178 30.431 115.955 6.735 1 U 2.39e+07 0 e 0 358 377 372
179 56.742 115.957 6.737 1 U 3.14e+07 0 e 0 357 377 372
180 34.503 115.448 7.790 1 U 6.44e+07 0 e 0 1409 1435 1428
181 57.272 115.455 7.791 1 U 6.28e+07 0 e 0 1408 1435 1428
182 54.880 115.391 6.994 1 U 9.77e+07 0 e 0 563 577 573
183 18.036 115.376 6.995 1 U 1.57e+08 0 e 0 564 577 573
184 57.713 114.586 7.966 1 U 9.26e+07 0 e 0 735 755 751
185 28.102 114.548 7.966 1 U 9.57e+07 0 e 0 736 755 751
186 27.357 114.493 8.031 1 U 3.23e+07 0 e 0 867 881 877
187 56.718 114.453 8.031 1 U 2.55e+07 0 e 0 866 881 877
188 45.497 114.187 7.249 1 U 7.62e+07 0 e 0 308 326 319
189 18.071 113.891 7.783 1 U 1.78e+08 0 e 0 444 456 452
190 38.904 113.366 7.733 1 U 2.74e+08 0 e 0 636 659 652
191 55.211 113.899 7.784 1 U 1.37e+08 0 e 0 443 456 452
192 59.259 113.892 8.339 1 U 3.04e+07 0 e 0 127 145 140
193 72.840 113.967 8.338 1 U 2.13e+07 0 e 0 128 145 140
194 33.506 113.659 9.415 1 U 5.65e+07 0 e 0 967 991 987
195 54.142 113.693 9.415 1 U 7.39e+07 0 e 0 966 991 987
196 34.094 113.545 8.916 1 U 4.8e+07 0 e 0 1342 1363 1359
197 56.323 113.531 8.916 1 U 5.94e+07 0 e 0 1341 1363 1359
198 36.961 113.402 7.975 1 U 5.33e+07 0 e 0 855 873 869
199 51.678 113.409 7.974 1 U 2.28e+07 0 e 0 854 873 869
200 55.164 113.380 7.734 1 U 6.87e+07 0 e 0 635 659 652
201 31.050 113.134 8.175 1 U 2.33e+07 0 e 0 116 134 130
202 56.781 113.017 8.174 1 U 3.19e+07 0 e 0 115 134 130
203 38.386 112.903 6.927 1 U 4.12e+06 0 e 0 0 0 0
204 54.485 112.572 6.971 1 U 7.73e+06 0 e 0 929 939 936
205 40.597 113.084 8.605 1 U 7.67e+07 0 e 0 724 745 739
206 63.363 113.079 8.605 1 U 8.31e+07 0 e 0 723 745 739
207 43.737 113.116 7.799 1 U 7.48e+07 0 e 0 273 292 288
208 56.794 113.153 7.797 1 U 8.63e+07 0 e 0 272 292 288
209 37.771 112.475 10.192 1 U 1.06e+08 0 e 0 301 312 309
210 52.049 112.477 10.192 1 U 4.01e+07 0 e 0 300 312 309
211 45.344 112.445 7.556 1 U 1.95e+08 0 e 0 1377 1390 1386
212 54.765 111.993 7.536 1 U 2.51e+07 0 e 0 1180 1190 1188
213 37.872 112.101 7.538 1 U 1.31e+07 0 e 0 1181 1190 1188
214 33.904 111.825 7.745 1 U 3.42e+07 0 e 0 738 746 744
215 28.124 111.713 7.747 1 U 3.07e+07 0 e 0 736 746 744
216 33.906 111.460 7.056 1 U 3.68e+07 0 e 0 738 746 743
217 28.111 111.609 7.054 1 U 3.49e+07 0 e 0 736 746 743
218 42.503 111.679 7.881 1 U 6.78e+07 0 e 0 841 863 857
219 58.001 111.686 7.880 1 U 9.72e+07 0 e 0 840 863 857
220 61.877 111.662 8.134 1 U 7.52e+07 0 e 0 1383 1399 1395
221 70.913 111.643 8.135 1 U 7.78e+07 0 e 0 1384 1399 1395
222 56.093 111.416 8.506 1 U 6.26e+07 0 e 0 922 938 932
223 18.470 111.437 8.504 1 U 7.8e+07 0 e 0 923 938 932
224 40.668 111.329 9.412 1 U 1.01e+08 0 e 0 88 99 96
225 52.888 111.345 9.411 1 U 3.82e+07 0 e 0 87 99 96
226 39.463 109.487 7.859 1 U 1.09e+08 0 e 0 74 85 82
227 53.187 109.496 7.860 1 U 5.06e+07 0 e 0 73 85 82
228 43.335 109.018 7.917 1 U 8.12e+07 0 e 0 1032 1048 1045
229 54.270 109.014 7.918 1 U 7.78e+07 0 e 0 1031 1048 1045
230 32.377 108.984 8.211 1 U 7e+07 0 e 0 1066 1086 1082
231 56.897 108.958 8.210 1 U 9.69e+07 0 e 0 1065 1086 1082
232 33.026 108.935 7.120 1 U 4.96e+07 0 e 0 492 516 510
233 57.755 108.920 7.119 1 U 5.22e+07 0 e 0 491 516 510
234 52.145 107.946 8.219 1 U 4.48e+07 0 e 0 1365 1381 1378
235 37.145 107.960 8.218 1 U 1.25e+08 0 e 0 1366 1381 1378
236 31.326 107.709 9.948 1 U 2.85e+07 0 e 0 507 522 519
237 53.753 107.657 9.946 1 U 2.31e+07 0 e 0 506 522 519
238 51.634 107.691 7.413 1 U 4.77e+07 0 e 0 610 624 623
239 37.505 107.680 7.413 1 U 1.28e+08 0 e 0 611 624 623
240 37.621 107.458 8.929 1 U 5.56e+07 0 e 0 1425 1441 1438
241 54.326 107.453 8.928 1 U 5.95e+07 0 e 0 1424 1441 1438
242 37.022 107.246 7.551 1 U 1.12e+08 0 e 0 287 298 295
243 51.680 107.250 7.552 1 U 4.26e+07 0 e 0 286 298 295
244 19.920 122.928 8.387 1 U 3.11e+07 0 e 0 1494 1505 1502
245 52.707 122.980 8.384 1 U 2e+07 0 e 0 1493 1505 1502
246 41.382 122.891 8.404 1 U 7.43e+06 0 e 0 0 0 0
247 59.165 128.188 9.601 1 U 1.05e+07 0 e 0 887 905 901
248 39.715 128.304 9.594 1 U 5.24e+06 0 e 0 888 905 901
249 37.270 133.569 9.856 1 U 8.27e+06 0 e 0 102 124 118
250 63.231 133.490 9.862 1 U 1.64e+07 0 e 0 101 124 118
251 40.199 112.947 8.955 1 U 1.54e+07 0 e 0 381 391 390
252 58.125 112.819 8.966 1 U 1.28e+07 0 e 0 380 391 390
253 54.681 111.955 6.808 1 U 2.13e+07 0 e 0 1180 1190 1187
254 37.722 112.073 6.807 1 U 1.32e+07 0 e 0 1181 1190 1187
255 38.765 111.839 6.665 1 U 1.3e+07 0 e 0 636 645 642
256 55.093 111.659 6.662 1 U 2.63e+07 0 e 0 635 645 642
257 32.442 111.148 7.528 1 U 2.04e+07 0 e 0 1066 1078 1074
258 34.359 111.147 7.527 1 U 1.78e+07 0 e 0 1068 1078 1074
259 32.417 111.015 6.841 1 U 1.64e+07 0 e 0 1066 1078 1073
260 34.405 111.039 6.840 1 U 1.66e+07 0 e 0 1068 1078 1073
261 53.490 111.866 6.829 1 U 2.39e+07 0 e 0 1515 1525 1522
262 38.615 111.833 6.829 1 U 1.71e+07 0 e 0 1516 1525 1522
263 31.187 110.141 6.431 1 U 4.22e+06 0 e 0 818 830 825
264 34.757 110.184 6.434 1 U 5.13e+06 0 e 0 820 830 825
265 39.633 109.024 8.178 1 U 9.42e+07 0 e 0 451 462 459
266 53.398 109.034 8.179 1 U 5.09e+07 0 e 0 450 462 459
267 42.031 124.623 7.507 1 U 1.58e+07 0 e 0 0 0 0
268 55.208 124.686 7.505 1 U 1.51e+07 0 e 0 0 0 0
269 45.688 121.122 7.896 1 U 6.85e+07 0 e 0 0 0 0
270 41.133 120.554 8.070 1 U 2.45e+07 0 e 0 0 0 0
271 54.497 120.500 8.075 1 U 8.5e+06 0 e 0 0 0 0
272 53.758 119.431 8.456 1 U 1.4e+07 0 e 0 1507 1524 1518
273 41.776 119.349 8.458 1 U 3.62e+07 0 e 0 1508 1524 1518
274 18.374 119.272 8.443 1 U 4.59e+06 0 e 0 0 0 0
275 35.880 126.005 8.988 1 U 2.44e+07 0 e 0 1146 1166 1162
276 54.016 125.860 8.989 1 U 2.3e+07 0 e 0 1145 1166 1162
277 30.524 120.188 8.263 1 U 1.48e+07 0 e 0 0 0 0
278 56.664 120.068 8.262 1 U 1.29e+07 0 e 0 0 0 0
279 43.090 119.466 9.105 1 U 3.95e+07 0 e 0 227 248 243
280 54.645 119.428 9.106 1 U 3.39e+07 0 e 0 226 248 243
281 45.695 123.382 7.981 1 U 3.52e+07 0 e 0 0 0 0
282 30.798 125.339 7.674 1 U 1.62e+07 0 e 0 0 0 0
283 56.066 125.299 7.673 1 U 2.15e+07 0 e 0 0 0 0
284 55.066 125.106 7.569 1 U 2.08e+07 0 e 0 0 0 0
285 42.516 125.057 7.569 1 U 2.08e+07 0 e 0 0 0 0
286 46.776 116.515 7.976 1 U 1.97e+07 0 e 0 389 399 395
287 55.830 116.897 8.015 1 U 6.3e+06 0 e 0 0 0 0
288 55.059 128.427 8.225 1 U 1.29e+08 0 e 0 0 0 0
289 42.814 128.419 8.225 1 U 1.13e+08 0 e 0 0 0 0
290 64.559 116.653 7.579 1 U 2.91e+07 0 e 0 1356 1374 1368
291 68.516 116.639 7.579 1 U 3.79e+07 0 e 0 1357 1374 1368
292 33.000 127.368 7.946 1 U 1.24e+07 0 e 0 0 0 0
293 56.282 127.422 7.942 1 U 1.46e+07 0 e 0 0 0 0
294 64.241 129.626 7.902 1 U 4.27e+07 0 e 0 0 0 0
295 58.211 129.664 7.903 1 U 2.36e+07 0 e 0 0 0 0
296 61.274 130.102 7.923 1 U 1.85e+07 0 e 0 0 0 0
297 38.450 130.164 7.922 1 U 9.39e+06 0 e 0 0 0 0
298 42.283 130.203 7.735 1 U 1.28e+07 0 e 0 0 0 0
299 54.894 130.283 7.735 1 U 1.31e+07 0 e 0 0 0 0
300 55.175 130.265 7.787 1 U 1.98e+07 0 e 0 0 0 0
301 42.277 130.265 7.790 1 U 1.91e+07 0 e 0 0 0 0
302 19.442 129.516 7.769 1 U 1.19e+07 0 e 0 0 0 0
303 56.149 129.646 7.784 1 U 7.39e+06 0 e 0 0 0 0
304 32.755 129.690 7.780 1 U 8.22e+06 0 e 0 0 0 0
305 53.062 124.682 8.535 1 U 6.61e+06 0 e 0 1479 1498 1495
306 42.244 124.868 8.536 1 U 5.11e+06 0 e 0 1480 1498 1495
307 38.571 120.955 8.123 1 U 6.79e+07 0 e 0 1516 1539 1532
308 53.539 121.057 8.127 1 U 2.18e+07 0 e 0 1515 1539 1532
309 21.724 119.556 8.070 1 U 1.21e+07 0 e 0 1501 1513 1509
310 51.433 119.530 8.064 1 U 1.31e+07 0 e 0 1500 1513 1509
311 55.136 123.637 8.160 1 U 1e+07 0 e 0 0 0 0
312 42.366 123.704 8.165 1 U 7.75e+06 0 e 0 0 0 0
313 30.117 123.105 8.044 1 U 1.53e+07 0 e 0 0 0 0
314 56.243 123.108 8.043 1 U 1.49e+07 0 e 0 0 0 0
315 55.139 124.461 7.935 1 U 1.46e+07 0 e 0 0 0 0
316 42.410 124.527 7.933 1 U 1.47e+07 0 e 0 0 0 0
317 41.062 108.736 8.294 1 U 2.44e+07 0 e 0 0 0 0
318 54.753 108.671 8.296 1 U 1.22e+07 0 e 0 0 0 0
319 45.496 120.219 7.883 1 U 7.81e+07 0 e 0 0 0 0
320 38.787 109.345 8.467 1 U 1.74e+07 0 e 0 0 0 0
321 53.370 109.307 8.480 1 U 7.28e+06 0 e 0 0 0 0
322 38.514 125.229 8.195 1 U 1.16e+07 0 e 0 0 0 0
323 61.167 125.215 8.192 1 U 2.55e+07 0 e 0 0 0 0
324 38.817 127.607 7.690 1 U 2.91e+07 0 e 0 0 0 0
325 53.560 127.582 7.688 1 U 1.22e+07 0 e 0 0 0 0
326 43.318 123.670 8.782 1 U 4.1e+07 0 e 0 95 113 106
327 55.831 122.648 7.898 1 U 1.79e+07 0 e 0 0 0 0
328 30.403 122.534 7.901 1 U 2.97e+07 0 e 0 0 0 0
329 60.977 128.953 7.982 1 U 1.51e+07 0 e 0 0 0 0
330 47.443 119.893 8.176 1 U 2.42e+07 0 e 0 0 0 0
331 45.549 120.306 7.940 1 U 4.46e+07 0 e 0 0 0 0
332 19.143 118.992 8.178 1 U 1.48e+07 0 e 0 0 0 0
333 38.619 128.810 7.984 1 U 7.19e+06 0 e 0 0 0 0
334 52.866 119.038 8.179 1 U 1e+07 0 e 0 0 0 0
335 37.876 119.365 8.530 1 U 3.72e+07 0 e 0 0 0 0
336 18.279 119.365 8.526 1 U 1.63e+08 0 e 0 0 0 0
337 47.538 121.809 8.260 1 U 1.49e+07 0 e 0 350 355 353
338 55.520 118.033 8.362 1 U 2.79e+07 0 e 0 36 56 52
339 56.962 124.744 8.789 1 U 3.83e+06 0 e 0 328 346 342
340 32.906 124.877 8.774 1 U 2.54e+06 0 e 0 329 346 342
341 36.043 121.539 5.927 1 U 2.69e+06 0 e 0 158 176 171
342 55.139 111.659 7.534 1 U 2.24e+07 0 e 0 635 645 643
343 38.808 111.835 7.534 1 U 2.09e+07 0 e 0 636 645 643
344 34.698 110.314 7.305 1 U 3.64e+06 0 e 0 820 830 826
345 31.312 110.144 7.305 1 U 2.81e+06 0 e 0 818 830 826
346 18.504 115.073 7.625 1 U 6.43e+06 0 e 0 352 366 360
347 33.186 111.912 6.821 1 U 3.35e+06 0 e 0 0 0 0
348 63.737 122.654 8.186 1 U 4.21e+06 0 e 0 0 0 0
349 63.807 122.572 8.160 1 U 3.17e+06 0 e 0 0 0 0
350 61.532 122.680 8.165 1 U 1.88e+06 0 e 0 0 0 0
351 63.907 122.329 8.225 1 U 3.7e+06 0 e 0 0 0 0
352 19.334 119.714 8.294 1 U 2.2e+07 0 e 0 0 0 0
353 52.477 119.803 8.290 1 U 1.56e+07 0 e 0 0 0 0
354 51.664 112.784 7.320 1 U 5.45e+06 0 e 0 675 685 682
355 39.262 112.801 7.319 1 U 2.72e+06 0 e 0 676 685 682
356 51.709 112.883 7.709 1 U 5.5e+06 0 e 0 675 685 683
357 51.579 111.480 6.324 1 U 6e+06 0 e 0 854 864 861
358 36.873 111.484 6.318 1 U 2.81e+06 0 e 0 855 864 861
359 52.092 110.027 6.933 1 U 4.82e+06 0 e 0 0 0 0
360 37.121 110.245 6.923 1 U 2.12e+06 0 e 0 0 0 0
361 38.437 106.373 8.672 1 U 4.03e+06 0 e 0 1232 1238 1235
362 36.996 107.290 7.664 1 U 3.39e+06 0 e 0 0 0 0
363 36.652 112.499 6.968 1 U 4.56e+06 0 e 0 930 939 936
364 36.615 112.599 7.660 1 U 7.5e+06 0 e 0 930 939 937
365 54.530 112.591 7.660 1 U 9.66e+06 0 e 0 929 939 937
366 37.497 111.894 7.145 1 U 4.36e+06 0 e 0 611 620 617
367 45.751 112.122 7.142 1 U 3e+06 0 e 0 0 0 0
368 51.582 111.954 7.143 1 U 4.28e+06 0 e 0 610 620 617
369 37.481 111.982 7.801 1 U 2.9e+06 0 e 0 611 620 618
370 51.632 112.055 7.797 1 U 8.21e+06 0 e 0 610 620 618
371 31.188 127.303 7.911 1 U 7.61e+06 0 e 0 0 0 0
372 53.766 120.585 8.122 1 U 1.6e+07 0 e 0 0 0 0
373 53.546 111.821 7.503 1 U 1.48e+07 0 e 0 1515 1525 1523
374 38.557 111.916 7.507 1 U 1.1e+07 0 e 0 1516 1525 1523
375 34.956 126.811 9.008 1 U 6.85e+06 0 e 0 1194 1215 1211
376 55.205 127.115 8.997 1 U 7.16e+06 0 e 0 1193 1215 1211
377 34.532 127.348 9.002 1 U 8.84e+06 0 e 0 0 0 0
378 53.501 110.303 6.849 1 U 2.87e+06 0 e 0 0 0 0
379 38.686 110.090 6.839 1 U 1.73e+06 0 e 0 0 0 0
380 40.186 107.946 8.598 1 U 2.8e+06 0 e 0 1218 1230 1229
381 55.162 107.917 8.599 1 U 8.39e+06 0 e 0 1217 1230 1229
382 20.595 111.834 8.336 1 U 2.76e+06 0 e 0 0 0 0
383 37.068 111.667 7.879 1 U 3.01e+06 0 e 0 855 864 862
384 51.645 111.665 7.878 1 U 4.69e+06 0 e 0 854 864 862
385 39.580 111.813 7.882 1 U 3.05e+06 0 e 0 0 0 0
386 55.158 111.644 7.891 1 U 7.68e+06 0 e 0 0 0 0
387 45.989 112.363 7.345 1 U 8.62e+06 0 e 0 0 0 0
388 51.589 112.586 7.842 1 U 2.91e+06 0 e 0 0 0 0
389 27.967 114.613 7.749 1 U 3.75e+06 0 e 0 0 0 0
390 27.216 115.126 7.714 1 U 2.52e+06 0 e 0 0 0 0
391 34.135 114.503 7.740 1 U 5.58e+06 0 e 0 0 0 0
392 34.273 110.437 7.637 1 U 7.32e+06 0 e 0 1292 1302 1298
393 33.402 109.810 8.109 1 U 8.52e+06 0 e 0 0 0 0
394 55.015 109.861 8.108 1 U 2.98e+06 0 e 0 0 0 0
395 36.807 113.219 7.858 1 U 5.11e+06 0 e 0 0 0 0
396 54.738 113.257 6.815 1 U 3.84e+06 0 e 0 0 0 0
397 55.069 112.850 6.665 1 U 3.62e+06 0 e 0 0 0 0
398 38.804 112.873 6.672 1 U 1.64e+06 0 e 0 0 0 0
399 54.070 116.094 8.387 1 U 7e+06 0 e 0 0 0 0
400 39.258 116.118 8.394 1 U 1.18e+07 0 e 0 0 0 0
401 33.365 118.936 8.154 1 U 2.78e+06 0 e 0 0 0 0
402 58.045 127.151 7.887 1 U 6.91e+06 0 e 0 0 0 0
403 46.401 121.166 8.735 1 U 1.92e+06 0 e 0 0 0 0
404 36.354 119.602 8.533 1 U 1.1e+07 0 e 0 240 262 254
;
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 . . CO 13 CO . . 20 ppm . . . . . . 28058 3
2 . . N 15 NH . . 30 ppm . . . . . . 28058 3
3 . . HN 1 HN . . 14 ppm . . . . . . 28058 3
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $SPARKY . . 28058 3
stop_
save_