Content for NMR-STAR saveframe, spectral_peak_list_2
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 36771
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID .
_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 .
_Spectral_peak_list.Chemical_shift_list assigned_chemical_shifts_1
_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 unknown
_Spectral_peak_list.Text_data
;
Number Position F1 Position F2 Position F3 Volume
1 3.32279 29.71707 3.02474 9331900.0
2 3.31408 29.76458 0.93475 1773410.0
3 3.31707 29.73354 4.5476 1422090.0
4 4.23175 59.68636 2.57013 4624250.0
5 1.78857 34.08479 0.91058 4762330.0
6 1.78055 34.09681 4.23336 1348500.0
7 0.62169 20.43964 3.80312 2502790.0
8 0.62004 20.39693 2.59177 2774820.0
9 0.61977 20.40571 1.77767 10744900.0
10 0.6193 20.35455 0.94473 11242600.0
11 0.6197 20.35455 4.2307 4710040.0
12 0.61899 20.38536 1.42088 2886120.0
13 2.54358 32.69252 1.72031 11781300.0
14 2.54551 32.72692 4.40688 3486300.0
15 3.79477 51.23662 2.57323 10339600.0
16 3.83866 60.2646 0.81985 5867280.0
17 4.08762 54.76629 1.39356 16655100.0
18 4.2837 56.85646 1.83915 3702720.0
19 4.27762 56.91912 7.28272 1597530.0
20 1.57915 28.40725 1.81821 5422310.0
21 3.22803 64.95268 2.85361 2121560.0
22 3.2337 64.91788 1.70988 2122080.0
23 3.22747 64.95268 1.4138 1847460.0
24 3.23067 64.95268 0.85688 3416810.0
25 1.70402 37.72944 1.39165 1523350.0
26 0.80075 13.41419 1.71566 6404990.0
27 0.79869 13.41419 1.40784 6477570.0
28 0.7975 13.41419 8.90986 1098880.0
29 0.80342 13.41419 2.32443 1011450.0
30 0.79998 13.41419 2.04417 932262.0
31 0.88616 28.93405 1.69091 1492740.0
32 0.88616 28.95183 1.41276 5824190.0
33 0.65406 16.66184 3.21203 5193540.0
34 0.65537 16.61563 1.7054 9620060.0
35 0.6548 16.60265 1.42274 2569310.0
36 2.85822 30.07432 4.69531 2293360.0
37 3.44725 30.02039 4.66769 3714980.0
38 3.44753 30.09706 2.87006 17947100.0
39 4.10321 57.7707 8.56938 11418700.0
40 3.43051 43.71979 2.075 2447130.0
41 3.43031 43.71228 1.81165 2862060.0
42 3.43464 43.71979 3.66185 9735610.0
43 3.65868 43.76138 2.07316 1906270.0
44 3.66077 43.71979 1.79566 2892810.0
45 3.66001 43.71979 1.88757 2387150.0
46 4.00353 56.11861 8.3099 8988080.0
47 4.00356 56.10051 2.19355 2174610.0
48 4.00472 56.10051 8.56084 1984180.0
49 2.00337 36.38137 4.00005 1869740.0
50 2.37545 48.58343 1.47081 4800620.0
51 2.37551 48.58377 3.2497 5517800.0
52 2.37522 48.52059 2.77687 1947970.0
53 2.38041 48.49816 8.29424 1368250.0
54 2.37518 48.50065 2.18544 4220690.0
55 2.17837 39.60332 2.77831 10768900.0
56 2.18085 39.60332 8.28428 1470890.0
57 2.17589 39.60332 7.41695 1025750.0
58 2.78254 39.64426 7.43354 1289090.0
59 1.46756 48.33349 3.247 8984550.0
60 1.46881 48.34213 1.8128 2495790.0
61 1.46924 48.32786 2.16709 1339470.0
62 3.24587 48.33633 1.82028 3237740.0
63 1.79088 25.27279 1.36374 7704940.0
64 0.63945 8.7561 2.19171 2288940.0
65 0.63968 8.7561 4.3568 7304700.0
66 0.64249 8.7561 3.8811 1733680.0
67 0.64061 8.7561 3.27839 954069.0
68 0.79887 16.24511 4.35165 4062780.0
69 0.80284 16.30758 2.97612 1626930.0
70 0.80119 16.30303 1.3752 6413640.0
71 0.80195 16.24205 8.26808 2302900.0
72 0.80099 16.30172 6.63284 1996340.0
73 0.7993 16.24511 3.31488 1463660.0
74 0.7982 16.24511 3.43044 1532160.0
75 0.8001 16.24511 2.17401 7394670.0
76 4.46696 51.80256 2.52258 5079710.0
77 2.53904 41.30767 3.12167 11667500.0
78 1.37305 18.15227 3.92216 18404300.0
79 1.37273 18.15552 8.06923 5866180.0
80 1.37498 18.12898 3.11538 2083890.0
81 3.89684 59.43242 1.85832 4395470.0
82 2.98561 41.70395 3.30413 5311510.0
83 2.98671 41.61754 1.58542 3903510.0
84 3.28586 41.6006 1.58416 3780890.0
85 3.83951 61.15612 7.91025 1120810.0
86 3.83444 61.15612 8.24586 1269680.0
87 3.95297 58.11027 1.47793 3697020.0
88 1.48335 40.89384 1.75026 13332000.0
89 1.77844 40.92752 3.9431 2379070.0
90 0.66311 23.05928 3.96615 14989100.0
91 0.66312 23.05095 2.54184 7347490.0
92 0.66301 23.04507 2.26007 4970590.0
93 0.6643 23.07573 1.72837 9329710.0
94 0.74929 25.02338 2.56486 1505410.0
95 0.75024 25.02338 1.47859 6120460.0
96 4.3625 57.261 2.67018 5503640.0
97 4.359 57.261 8.34735 4312440.0
98 2.66727 33.09253 2.14623 16357700.0
99 2.66606 33.09275 4.08832 1141860.0
100 2.66594 33.09275 1.94408 3428300.0
101 3.10795 46.81724 1.63542 2061350.0
102 3.11401 46.78981 3.49583 12458400.0
103 3.10955 46.81235 9.28364 2041980.0
104 3.5013 46.73365 9.3017 3006970.0
105 3.39903 46.99065 2.31526 20096200.0
106 3.58435 66.35434 2.05007 3472780.0
107 3.58576 66.35593 1.50472 4491800.0
108 3.58281 66.35455 7.70335 3987640.0
109 0.82959 20.98811 2.04742 13325400.0
110 0.83226 20.98811 3.58831 7206140.0
111 0.96297 22.53069 4.09749 4915630.0
112 0.96066 22.59852 2.05611 13947100.0
113 0.96196 22.59896 7.71074 7206480.0
114 3.84483 57.14169 8.26754 2090500.0
115 0.61088 43.15344 3.83662 1862700.0
116 0.61602 43.14143 1.62157 8968170.0
117 1.62552 43.12324 8.22536 2016550.0
118 0.71842 22.91561 -0.21319 1948760.0
119 0.71324 22.93874 2.16718 3046370.0
120 0.71577 22.89862 1.6184 13367800.0
121 0.7111 22.87904 8.24206 2108260.0
122 0.70373 27.40808 0.32689 1262830.0
123 0.70877 27.36765 1.61492 6365500.0
124 3.13333 61.78707 2.34982 2182300.0
125 3.13659 61.74884 2.09622 4138190.0
126 3.13156 61.78293 0.98585 2243200.0
127 3.13083 61.74989 8.24762 2164470.0
128 3.14034 61.70124 7.49034 1932150.0
129 2.09299 39.08711 8.26656 2245970.0
130 2.36418 39.08936 2.10476 8661370.0
131 2.37001 39.03063 8.23658 1613810.0
132 2.3635 39.05479 0.02908 1001170.0
133 3.97641 54.48206 7.75333 3307890.0
134 1.49415 18.00254 3.96256 19970200.0
135 1.49368 17.91213 7.7231 10161300.0
136 1.49485 17.97607 2.37091 1253860.0
137 3.88609 58.46338 1.70521 9685330.0
138 3.88905 58.47165 1.27928 4358980.0
139 3.88549 58.45147 7.3803 4099080.0
140 1.28214 30.39369 1.71179 14933300.0
141 1.67385 35.07875 3.88931 3293570.0
142 2.18006 34.38526 2.40425 14473400.0
143 2.17468 34.3308 4.64681 1759560.0
144 2.17788 34.3308 7.50893 1148220.0
145 2.38961 34.42742 -0.67661 1473170.0
146 2.38209 34.37155 4.65512 3515220.0
147 2.3801 34.34177 7.51193 1142450.0
148 3.75889 54.42743 -0.66353 1932730.0
149 3.75383 54.43431 0.32333 1154250.0
150 3.75122 54.43431 0.99657 1204360.0
151 0.97689 36.16454 0.34665 3604620.0
152 3.94305 65.65729 2.08798 5660090.0
153 3.94256 65.68856 9.7293 4378970.0
154 3.94461 65.64476 7.48745 4170740.0
155 3.94216 65.71863 1.18763 2481380.0
156 1.17835 20.43988 3.97332 11036600.0
157 1.1807 20.49704 2.09694 9884280.0
158 1.35621 23.09151 4.49789 11316600.0
159 1.35695 23.06304 3.9485 14283600.0
160 1.35826 23.04002 2.08967 11677500.0
161 1.35684 23.09963 2.58232 3819210.0
162 3.41599 43.01631 3.20791 6660600.0
163 3.40678 43.0098 1.45707 1561300.0
164 5.79267 56.0225 7.50689 1264550.0
165 5.79345 56.0225 7.68017 1113950.0
166 5.60852 45.77928 4.63816 13376200.0
167 5.61069 45.77928 9.70676 3098130.0
168 4.49722 60.57338 2.5914 3994900.0
169 2.66332 36.8989 4.50071 2175210.0
170 2.66425 36.89371 1.35125 1178540.0
171 4.95142 69.35887 4.71247 7959680.0
172 1.494 22.32612 4.94806 13179300.0
173 1.49274 22.32693 4.69229 10140300.0
174 5.45329 61.67326 3.25769 2477260.0
175 5.45247 61.6472 2.72864 1874620.0
176 5.45307 61.70962 0.83791 3423270.0
177 2.73182 38.02466 1.35534 1894350.0
178 2.73588 38.01143 3.26133 7170800.0
179 2.74038 38.04775 3.55745 1279110.0
180 3.24938 38.02453 2.47187 2115980.0
181 0.81019 27.33474 3.58694 2594820.0
182 0.80814 27.33222 2.71602 4957710.0
183 0.80936 27.38238 2.45841 11957200.0
184 0.80968 27.36419 2.24613 2407580.0
185 0.80842 27.37106 5.44802 1295570.0
186 0.8101 27.32046 1.45151 4359310.0
187 0.80941 27.32046 1.60031 3008090.0
188 0.80891 27.32046 3.27225 9128910.0
189 0.8276 24.50789 2.46298 9817610.0
190 0.82635 24.45156 8.16976 2633910.0
191 0.82489 24.49155 3.26935 2895940.0
192 5.51483 57.16364 2.61592 3471150.0
193 5.51472 57.16821 2.20117 3807820.0
194 2.24394 30.18948 5.4975 1048410.0
195 2.60062 30.05767 2.24568 12544200.0
196 3.48913 43.25521 2.23145 3642560.0
197 3.4904 43.20437 1.36966 1476400.0
198 3.48229 43.24528 3.73125 7136140.0
199 3.7424 43.31007 2.2001 3571490.0
200 3.74483 43.30526 5.51188 2304680.0
201 3.74097 43.25018 1.36543 1290860.0
202 2.12323 26.75774 2.61144 3301040.0
203 2.11498 26.72286 5.53226 1305370.0
204 2.21906 26.75406 2.61476 2789260.0
205 2.61791 40.21539 3.25247 17134300.0
206 3.85938 44.97843 4.65027 12108300.0
207 4.46717 65.09378 2.47898 10859300.0
208 2.25987 41.19094 4.74288 2431610.0
209 2.26217 41.13883 2.68461 8940140.0
210 3.36545 53.17206 1.33447 9508170.0
211 3.36504 53.09554 -0.59076 5250750.0
212 1.33252 19.54616 5.78563 3079990.0
213 1.33479 19.54616 7.70699 8246210.0
214 4.08373 55.06461 2.56517 7376030.0
215 3.69762 54.59965 0.87913 1472660.0
216 3.69807 54.6425 0.49625 2421540.0
217 -0.05549 41.3552 0.87466 1258890.0
218 -0.0586 41.3552 3.69121 1636790.0
219 0.50131 41.37806 0.87072 1790490.0
220 0.50556 41.33882 -0.05457 10089100.0
221 -0.58975 24.58679 1.33104 3807390.0
222 -0.5897 24.58933 0.49975 3880250.0
223 -0.59373 24.58679 1.63452 1092970.0
224 -0.59091 24.58679 -0.05578 5386120.0
225 0.02623 22.07195 -0.58914 13904900.0
226 0.02438 22.10121 0.8819 9169400.0
227 3.9425 50.80965 1.98185 6079930.0
228 3.94656 50.76759 7.25766 2204540.0
229 3.94468 50.78787 2.23385 3366780.0
230 1.97564 43.9539 2.23721 19730700.0
231 1.98197 43.98382 7.2566 1568910.0
232 0.96149 32.60325 3.00599 2672410.0
233 0.96292 32.60325 4.40849 1671810.0
234 0.96315 32.60325 3.2767 1217280.0
235 1.82512 32.60325 4.40433 5603290.0
236 1.82424 32.60107 0.9594 13203100.0
237 1.82445 32.60107 3.01891 3101650.0
238 1.82678 32.60107 3.27802 2626950.0
239 3.36719 60.59399 1.27356 4364490.0
240 3.36675 60.59843 7.43924 8481310.0
241 3.36645 60.59399 0.47974 1711640.0
242 3.36752 60.59399 -1.55162 1079490.0
243 1.26246 31.91333 1.7957 14858700.0
244 3.01974 49.33571 1.49816 3724560.0
245 3.01959 49.34919 3.3049 16963400.0
246 3.29558 49.36422 1.26219 878282.0
247 1.49719 27.07957 1.27871 7580580.0
248 1.49824 27.1074 3.29972 3380740.0
249 1.66109 27.08594 3.30623 5174230.0
250 1.65836 27.08594 3.03875 2603810.0
251 -1.54088 22.80494 1.36234 8164900.0
252 -1.54183 22.85647 0.50413 2727590.0
253 -1.53977 22.84476 -0.60348 4310650.0
254 1.63399 21.77893 4.32372 3302670.0
255 1.6332 21.7599 3.42787 1703910.0
256 5.67641 55.05675 3.51189 2366810.0
257 5.67642 55.08375 3.27394 3473930.0
258 5.67586 55.06489 10.241 4662140.0
259 3.26858 41.4657 3.50661 12814100.0
260 3.26515 41.406 2.11336 1390480.0
261 3.84598 66.97031 2.71491 2939380.0
262 3.84114 66.98973 4.41232 1849400.0
263 3.84246 66.99284 8.85602 1849920.0
264 3.84279 66.94962 1.62294 5064060.0
265 2.70279 31.70167 1.36896 2531520.0
266 1.15718 22.07948 2.7072 11205600.0
267 1.15006 22.1342 1.51608 8495680.0
268 1.3583 24.0776 8.84857 5197510.0
269 1.35989 24.0776 2.20356 2832280.0
270 1.36064 24.0776 3.25882 3884660.0
271 3.43771 32.02566 4.78012 1546650.0
272 3.63336 32.02941 3.43636 12154900.0
273 3.63916 32.04756 4.78088 2250840.0
274 1.55206 15.57927 4.40437 11893800.0
275 1.55131 15.56304 8.83133 6124710.0
276 1.55033 15.54834 5.2345 1372340.0
277 4.30987 65.47635 2.35253 6214930.0
278 4.30896 65.47635 1.24394 2772100.0
279 3.31836 51.82054 3.73152 12235400.0
280 3.31552 51.75289 8.79799 1234600.0
281 5.27258 53.86842 3.09451 3065300.0
282 2.74921 33.30143 5.28591 1197250.0
283 3.07385 33.31965 2.76704 8548940.0
284 2.75577 40.34755 0.85596 2089290.0
285 2.75805 40.30059 4.18192 1783610.0
286 2.94875 40.30487 4.19135 1527170.0
287 2.9475 40.30487 2.76299 8284010.0
288 4.0799 56.47967 3.18518 5561120.0
289 4.08133 56.47967 7.66494 1995410.0
290 2.83692 42.77799 0.66947 1457960.0
291 2.83863 42.75766 3.21436 5244300.0
292 2.83907 42.8049 0.86639 1253360.0
293 0.52843 42.59508 0.78166 2844120.0
294 0.52724 42.59508 3.28445 1242150.0
295 1.85675 42.63325 0.80211 3137150.0
296 1.85118 42.55687 0.52477 8147790.0
297 2.69254 54.81752 0.45803 10873600.0
298 2.69489 54.85695 -0.11701 5225640.0
299 2.6917 54.83177 -2.28602 1376940.0
300 2.68644 54.85066 8.31017 1796250.0
301 2.69119 54.85066 6.87266 1009670.0
302 0.48567 18.06607 3.8937 3266640.0
303 0.48313 18.14258 8.33565 6120920.0
304 0.48685 18.06076 7.68017 2773200.0
305 3.86658 62.27943 7.90923 1407050.0
306 3.10626 38.53236 3.85324 2641440.0
307 3.22754 38.55725 3.86363 1669550.0
308 -1.22726 20.81054 0.71244 1121530.0
309 -1.23037 20.81135 -0.14847 3232270.0
310 -1.23305 20.75985 2.33182 2281250.0
311 -1.23394 20.75985 1.92988 2874170.0
312 -1.23305 20.75985 1.10368 5753820.0
313 -1.23317 20.75985 -2.27309 6026670.0
314 -1.23305 20.75985 0.29273 3739720.0
315 -1.22905 20.75985 6.88982 781248.0
316 -2.2795 21.72966 2.34991 2593000.0
317 -2.27376 21.76367 1.10097 4947960.0
318 -2.2779 21.68256 6.9032 3204940.0
319 3.50439 60.07417 1.76247 4000370.0
320 3.50778 60.07417 9.36612 3703310.0
321 3.50641 60.07417 8.48281 1867390.0
322 3.50645 60.07417 -1.20441 847785.0
323 3.50508 60.07417 3.94072 1776830.0
324 3.50512 60.07417 1.81789 4097770.0
325 2.06422 38.57477 4.65159 1396540.0
326 0.90409 10.2516 4.64557 8356670.0
327 0.90287 10.27446 2.06091 2899100.0
328 0.90454 10.2331 1.75771 2730290.0
329 0.90043 10.23109 3.48463 890554.0
330 0.90219 10.23109 1.4545 11016100.0
331 1.43746 17.88276 4.64136 6495710.0
332 1.4392 17.87816 2.0591 11516600.0
333 6.84224 46.29201 10.92172 2414380.0
334 6.82666 46.29706 8.8579 1984850.0
335 6.83994 46.30917 7.40043 8915380.0
336 0.76933 31.3328 1.30353 4934260.0
337 2.25837 43.08201 1.77668 8853320.0
338 4.23438 63.08242 1.65616 10707700.0
339 4.23455 63.06036 0.44211 5326900.0
340 0.42194 31.87615 0.22978 3299080.0
341 0.42173 31.89976 1.65524 14719400.0
342 0.42276 31.87615 -0.61204 1172690.0
343 0.41918 31.87615 3.2815 828326.0
344 3.28458 50.5472 0.21968 3127590.0
345 3.27754 50.57308 4.22399 966344.0
346 3.35716 50.58288 1.65406 1230000.0
347 0.21861 25.88132 3.3295 2915900.0
348 0.21721 25.91369 1.64686 1460730.0
349 0.21366 25.91369 -0.05195 943387.0
350 1.17976 25.90028 0.40607 2718710.0
351 1.17975 25.91807 0.21133 13231900.0
352 1.17907 25.90028 0.00191 1271930.0
353 1.17677 25.90028 3.28496 4310980.0
354 1.17829 25.9423 1.65144 3522010.0
355 1.17677 25.90028 3.35378 3996510.0
356 0.71114 15.87053 6.83601 1068980.0
357 6.0143 65.86538 3.8597 1594410.0
358 6.01097 65.84091 3.48658 5810380.0
359 6.01525 65.79152 3.16556 2876840.0
360 3.48592 33.49529 3.15512 11008000.0
361 3.48212 33.52459 3.85053 3138740.0
362 4.24975 45.49134 5.97336 18661400.0
363 5.9641 45.49191 9.34473 5711340.0
364 1.92169 39.08621 4.75191 2030430.0
365 1.92269 39.0637 9.37276 1746640.0
366 2.76968 39.0909 1.91843 11048400.0
367 2.76807 39.1103 4.75361 3525900.0
368 1.40466 21.14454 0.31456 2091360.0
369 1.40749 21.10178 4.44631 17402100.0
370 1.40472 21.12911 7.5536 6222980.0
371 1.40112 21.12911 4.73497 4124800.0
372 1.40235 21.12911 7.73974 3087210.0
373 1.27774 43.14802 -0.18297 2449700.0
374 1.27848 43.19799 3.05853 843200.0
375 1.28323 43.19799 4.54294 1678550.0
376 1.27753 43.19799 8.66929 944785.0
377 1.40027 43.14915 -0.18651 2202770.0
378 1.40849 43.19799 3.06405 1046140.0
379 1.40476 43.19799 4.54116 1687700.0
380 -0.1884 25.14614 3.07601 1094180.0
381 -0.18666 25.14614 2.77017 4507050.0
382 -0.18946 25.14614 2.20312 2232960.0
383 -0.18558 25.14614 1.9072 2397430.0
384 0.31037 22.46072 -0.18551 11571800.0
385 0.30989 22.44235 4.52652 10853500.0
386 0.30843 22.45976 2.73794 1490640.0
387 0.31381 22.44144 2.22472 2746320.0
388 0.3108 22.50209 1.38156 15992500.0
389 0.31085 22.47647 0.70764 8350630.0
390 0.30991 22.45976 3.05391 1543810.0
391 1.38381 26.90162 2.76539 2079980.0
392 2.59131 42.43193 4.60819 4308580.0
393 2.59188 42.43664 8.67171 1723970.0
394 2.72871 42.4133 4.60565 4353510.0
395 3.65413 60.24188 2.25171 2519970.0
396 3.65305 60.24188 1.94133 6244450.0
397 3.65354 60.24188 1.14104 763242.0
398 3.6564 60.24188 6.97855 1258840.0
399 3.65185 60.24188 7.19777 1056370.0
400 3.87407 60.33193 1.37399 2158010.0
401 3.87916 60.33193 8.41042 1823060.0
402 3.25361 43.7785 3.06985 16705500.0
403 3.87071 56.94477 3.08347 2910070.0
404 3.87023 56.92291 2.21309 4286670.0
405 3.87781 56.94623 7.00782 1638820.0
406 2.20259 41.92953 1.36711 3125360.0
407 2.1945 41.95753 0.70423 4073700.0
408 2.20176 41.92844 3.06828 7891170.0
409 2.81047 64.61761 1.5342 3085890.0
410 2.81436 64.63341 1.13019 1732700.0
411 2.80913 64.6547 0.29548 2689430.0
412 2.81219 64.60882 -0.13656 4286250.0
413 2.80731 64.61761 -1.20435 1077350.0
414 1.39999 35.59592 2.83585 930484.0
415 0.12595 11.13239 3.84521 3265480.0
416 0.12482 11.04822 3.52111 4085700.0
417 0.12562 11.03874 1.1407 7457850.0
418 0.12594 11.04822 3.13695 1255610.0
419 0.12731 11.04822 8.46448 862176.0
420 0.31768 28.69942 -0.14373 2037140.0
421 1.12457 28.64788 0.31239 7035310.0
422 1.1187 28.69743 -0.13796 1707190.0
423 -0.1179 17.19587 -2.26365 1382220.0
424 -0.11866 17.19783 1.3936 9293340.0
425 -0.11886 17.1527 0.44923 9062840.0
426 -0.11791 17.16422 3.1336 779270.0
427 2.94467 29.55715 1.37002 2752540.0
428 2.93997 29.5513 3.43284 6234510.0
429 3.43402 29.55741 4.38237 2271220.0
430 3.41266 58.39824 1.53383 2305490.0
431 3.41062 58.37512 -0.24461 3455480.0
432 -0.27528 42.27783 -0.53647 1859850.0
433 -0.27676 42.19777 1.53338 7568730.0
434 0.01655 24.04766 3.41057 8159200.0
435 0.01761 23.99022 2.08494 4623940.0
436 -0.55757 26.55705 1.55008 3649270.0
437 -0.56049 26.55705 3.40413 1053960.0
438 2.90704 67.74448 1.49195 1296080.0
439 2.91353 67.70079 2.30884 1257700.0
440 2.29886 30.95556 0.86521 3163370.0
441 2.29481 30.95698 0.39727 3382940.0
442 4.22211 55.76587 1.80061 2537400.0
443 4.22083 55.79059 2.25998 4265040.0
444 3.01262 36.42291 2.23619 6554220.0
445 3.0114 36.49134 4.19557 2398890.0
446 3.9902 62.07298 2.55796 2226040.0
447 3.99041 62.00565 0.65776 4800540.0
448 3.2853 60.35999 2.13159 2196840.0
449 3.28206 60.34324 0.81773 5089860.0
450 3.27839 60.30278 8.42096 1780660.0
451 1.48478 34.29938 3.28323 1987670.0
452 1.47844 34.27689 2.12712 8149960.0
453 3.71465 58.72326 3.16354 4092390.0
454 3.71727 58.72211 8.4856 2553820.0
455 3.10126 42.30896 3.71375 1801680.0
456 2.52456 44.09035 4.24516 3510010.0
457 1.46725 30.18073 0.84774 4319380.0
458 1.4733 30.22538 3.99725 1573660.0
459 1.62314 30.29089 0.85597 3958440.0
460 1.61683 30.26792 3.9788 2234900.0
461 2.91916 41.84589 0.85432 3891860.0
462 2.92097 41.86704 3.97598 3569680.0
463 2.91866 41.84589 0.94571 2241710.0
464 2.9832 41.84589 0.85369 4128480.0
465 2.98243 41.84589 3.97777 3571960.0
466 2.98395 41.84589 0.94697 2596610.0
467 4.40397 54.30912 8.2469 1802060.0
468 1.62763 18.89818 4.4125 13016300.0
469 1.6265 18.89818 3.31408 1051890.0
470 1.52517 19.34544 4.35671 9074230.0
471 1.47447 19.26432 4.35671 10106100.0
;
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 11.276 ppm . . . 4.764 . . 36771 2
2 . . C 13 C-aliphatic 1 aliased 40.005 ppm . . . 27.250 . . 36771 2
3 . . H 1 C-aliphatic . aliased 14.999 ppm . . . 4.764 . . 36771 2
stop_
save_