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 31015
_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 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 3
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aliphatic'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details
;
Accessed via the Ponderosa Web client Automatic NOE assignments via CYANA.
Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH.
Lee W, Stark JL, Markley JL. (2014)
PONDEROSA-C/S: Client-server based software package for automated protein 3D structure determination.
Journal of Biomolecular NMR 60(2-3):73-5.
;
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
H1 C13 N15
PV31_best_trosy_hnco_S_031821.nv
3006.69824219 3015.16088867 1458.07104492
599.559020996 150.783996582 60.7599983215
H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9
0 {} 7.98626 0.03453 0.08097 ++ {0.0} {} {} 174.76009 0.25553 0.61412 ++ {0.0} {} {} 128.12927 0.68221 1.43713 ++ {0.0} {} 16.1016139984 1.7443 0 {} 0 0 0
1 {} 7.95885 0.03114 0.04319 ++ {0.0} {} {} 174.12456 0.28788 0.43897 ++ {0.0} {} {} 128.09412 0.62505 1.01298 ++ {0.0} {} 0.787446081638 0.0807 0 {} 0 0 0
2 {} 7.98339 0.02527 0.00606 ++ {0.0} {} {} 172.87199 0.28496 0.06838 ++ {0.0} {} {} 128.03781 0.58153 0.13954 ++ {0.0} {} 0.0236745998263 0.0237 0 {} 0 0 0
3 {} 7.96069 0.04242 0.07912 ++ {0.0} {} {} 175.55661 0.24498 0.56988 ++ {0.0} {} {} 127.75710 0.72469 1.42669 ++ {0.0} {} 3.76884388924 0.2579 0 {} 0 0 0
4 {} 7.64280 0.03780 0.03713 ++ {0.0} {} {} 175.05618 0.31653 0.30850 ++ {0.0} {} {} 127.23907 0.49063 0.47759 ++ {0.0} {} 0.387438714504 0.0406 0 {} 0 0 0
5 {} 8.28552 0.03918 0.08044 ++ {0.0} {} {} 176.73102 0.23603 0.57377 ++ {0.0} {} {} 126.59133 0.57706 1.29325 ++ {0.0} {} 3.17496562004 0.2643 0 {} 0 0 0
6 {} 8.16339 0.03471 0.07962 ++ {0.0} {} {} 176.99808 0.22071 0.64230 ++ {0.0} {} {} 125.96415 0.57434 1.38274 ++ {0.0} {} 6.74157762527 0.5778 0 {} 0 0 0
7 {} 8.36569 0.04115 0.06116 ++ {0.0} {} {} 176.11295 0.31893 0.50986 ++ {0.0} {} {} 125.17975 0.75176 1.23875 ++ {0.0} {} 1.42982268333 0.0772 0 {} 0 0 0
8 {} 8.29312 0.01971 0.01144 ++ {0.0} {} {} 175.04105 0.29991 0.17417 ++ {0.0} {} {} 125.19354 0.54437 0.31612 ++ {0.0} {} 0.137183949351 0.0294 0 {} 0 0 0
9 {} 8.24627 0.04358 0.08474 ++ {0.0} {} {} 174.02132 0.22010 0.43641 ++ {0.0} {} {} 125.20787 0.59327 1.15893 ++ {0.0} {} 2.13054299355 0.1354 0 {} 0 0 0
10 {} 8.29090 0.03292 0.04713 ++ {0.0} {} {} 175.66113 0.29249 0.43577 ++ {0.0} {} {} 124.60322 0.50211 0.70109 ++ {0.0} {} 0.769784271717 0.0690 0 {} 0 0 0
11 {} 8.44185 0.03103 0.05042 ++ {0.0} {} {} 175.81137 0.27841 0.41616 ++ {0.0} {} {} 124.53053 0.53336 0.75438 ++ {0.0} {} 0.879211723804 0.0712 0 {} 0 0 0
12 {} 8.15899 0.04271 0.06510 ++ {0.0} {} {} 174.75566 0.27512 0.45105 ++ {0.0} {} {} 124.33795 0.60858 1.00058 ++ {0.0} {} 1.28118550777 0.0847 0 {} 0 0 0
13 {} 8.35612 0.03887 0.04171 ++ {0.0} {} {} 176.29521 0.35373 0.38248 ++ {0.0} {} {} 124.10347 0.55603 0.60874 ++ {0.0} {} 0.521797001362 0.0460 0 {} 0 0 0
14 {} 7.67035 0.04004 0.10398 ++ {0.0} {} {} 178.71857 0.21270 0.60233 ++ {0.0} {} {} 123.71364 0.57339 1.38904 ++ {0.0} {} 7.71207952499 0.5562 0 {} 0 0 0
15 {} 8.10087 0.03465 0.10455 ++ {0.0} {} {} 176.16753 0.25496 0.60520 ++ {0.0} {} {} 123.67068 0.67967 1.45608 ++ {0.0} {} 15.8773164749 1.0431 0 {} 0 0 0
16 {} 7.95936 0.04320 0.05583 ++ {0.0} {} {} 175.71260 0.27033 0.39880 ++ {0.0} {} {} 123.61351 0.67483 0.97251 ++ {0.0} {} 0.885029435158 0.0664 0 {} 0 0 0
17 {} 8.02559 0.04374 0.02308 ++ {0.0} {} {} 172.98782 0.22514 0.08352 ++ {0.0} {} {} 123.61465 0.60872 0.22582 ++ {0.0} {} 0.0666561201215 0.0256 0 {} 0 0 0
18 {} 8.30114 0.03780 0.07982 ++ {0.0} {} {} 175.68440 0.32890 0.75630 ++ {0.0} {} {} 123.29887 0.69743 1.40549 ++ {0.0} {} 4.98604488373 0.3039 0 {} 0 0 0
19 {} 7.98815 0.04596 0.15041 ++ {0.0} {} {} 176.79425 0.27230 0.78747 ++ {0.0} {} {} 122.90291 0.76655 1.58929 ++ {0.0} {} 27.9561672211 1.1128 0 {} 0 0 0
20 {} 8.48645 0.03578 0.10837 ++ {0.0} {} {} 176.45952 0.30073 0.60298 ++ {0.0} {} {} 122.73461 0.49217 1.36342 ++ {0.0} {} 9.26108455658 0.5400 0 {} 0 0 0
21 {} 7.85075 0.03618 0.08290 ++ {0.0} {} {} 179.39758 0.25352 0.59862 ++ {0.0} {} {} 122.37759 0.48812 1.32045 ++ {0.0} {} 6.46902084351 0.5372 0 {} 0 0 0
22 {} 6.94271 0.04859 0.11478 ++ {0.0} {} {} 176.47165 0.27436 0.58743 ++ {0.0} {} {} 122.44578 0.56004 1.37008 ++ {0.0} {} 5.36007261276 0.3519 0 {} 0 0 0
23 {} 8.22647 0.04275 0.08464 ++ {0.0} {} {} 175.55327 0.30054 0.59322 ++ {0.0} {} {} 122.42286 0.55221 1.13005 ++ {0.0} {} 3.58392882347 0.1369 0 {} 0 0 0
24 {} 8.04853 0.03305 0.05551 ++ {0.0} {} {} 175.48598 0.23187 0.38325 ++ {0.0} {} {} 122.45457 0.57224 0.96061 ++ {0.0} {} 1.16177713871 0.0927 0 {} 0 0 0
25 {} 8.56343 0.03119 0.07881 ++ {0.0} {} {} 180.11714 0.22235 0.61698 ++ {0.0} {} {} 122.08124 0.57028 1.37081 ++ {0.0} {} 5.4129152298 0.4328 0 {} 0 0 0
26 {} 8.17396 0.02993 0.08895 ++ {0.0} {} {} 179.14047 0.25053 0.59896 ++ {0.0} {} {} 122.05977 0.54265 1.39840 ++ {0.0} {} 10.4330921173 0.5907 0 {} 0 0 0
27 {} 7.90347 0.03849 0.08906 ++ {0.0} {} {} 177.43301 0.33496 0.76265 ++ {0.0} {} {} 122.12646 0.66293 1.38081 ++ {0.0} {} 6.37791776657 0.4913 0 {} 0 0 0
28 {} 8.59222 0.04679 0.10789 ++ {0.0} {} {} 176.89557 0.26234 0.55313 ++ {0.0} {} {} 122.15486 0.66320 1.25788 ++ {0.0} {} 3.20744276047 0.1826 0 {} 0 0 0
29 {} 8.21809 0.04537 0.15240 ++ {0.0} {} {} 176.47644 0.32379 1.03630 ++ {0.0} {} {} 122.09533 0.63789 1.57867 ++ {0.0} {} 41.1456298828 1.0811 0 {} 0 0 0
30 {} 8.26135 0.03688 0.08087 ++ {0.0} {} {} 179.03412 0.21037 0.54851 ++ {0.0} {} {} 121.76787 0.68280 1.37001 ++ {0.0} {} 4.79402065277 0.3880 0 {} 0 0 0
31 {} 8.08164 0.03858 0.13489 ++ {0.0} {} {} 177.36644 0.31787 0.67804 ++ {0.0} {} {} 121.75286 0.67738 1.42364 ++ {0.0} {} 24.7781658173 0.8711 0 {} 0 0 0
32 {} 8.42163 0.03792 0.10826 ++ {0.0} {} {} 177.18181 0.22634 0.61029 ++ {0.0} {} {} 121.81708 0.69512 1.44902 ++ {0.0} {} 8.46864414215 0.5634 0 {} 0 0 0
33 {} 8.24190 0.04517 0.23491 ++ {0.0} {} {} 177.05106 0.26164 0.64384 ++ {0.0} {} {} 121.62842 0.49846 1.43917 ++ {0.0} {} 32.8987350464 0.8580 0 {} 0 0 0
34 {} 8.28115 0.05261 0.07515 ++ {0.0} {} {} 176.90993 0.36881 0.98456 ++ {0.0} {} {} 121.80415 0.67333 1.43857 ++ {0.0} {} 24.2550468445 0.6426 0 {} 0 0 0
35 {} 7.91520 0.03472 0.08950 ++ {0.0} {} {} 176.82101 0.23388 0.61842 ++ {0.0} {} {} 121.83249 0.59825 1.45703 ++ {0.0} {} 8.26467990875 0.4471 0 {} 0 0 0
36 {} 8.14802 0.04305 0.07861 ++ {0.0} {} {} 175.76106 0.29640 0.66242 ++ {0.0} {} {} 121.70630 0.62587 1.26540 ++ {0.0} {} 4.32594203949 0.1429 0 {} 0 0 0
37 {} 7.88881 0.04028 0.06597 ++ {0.0} {} {} 175.72919 0.22247 0.42854 ++ {0.0} {} {} 121.87280 0.56887 1.11384 ++ {0.0} {} 1.77108454704 0.1224 0 {} 0 0 0
38 {} 8.69660 0.03769 0.10602 ++ {0.0} {} {} 179.45222 0.26016 0.65062 ++ {0.0} {} {} 121.42886 0.64561 1.40246 ++ {0.0} {} 7.7739276886 0.6931 0 {} 0 0 0
39 {} 8.11161 0.03210 0.08646 ++ {0.0} {} {} 179.22453 0.23441 0.64689 ++ {0.0} {} {} 121.54992 0.48629 1.36357 ++ {0.0} {} 11.0609674454 0.7920 0 {} 0 0 0
40 {} 8.13841 0.04497 0.10522 ++ {0.0} {} {} 177.58504 0.25148 0.67631 ++ {0.0} {} {} 121.35340 0.64176 1.46536 ++ {0.0} {} 22.8010482788 0.8790 0 {} 0 0 0
41 {} 8.03840 0.03719 0.20949 ++ {0.0} {} {} 176.91142 0.31510 0.70251 ++ {0.0} {} {} 121.44596 0.62273 1.42599 ++ {0.0} {} 16.9163837433 0.6275 0 {} 0 0 0
42 {} 8.06233 0.03284 0.10865 ++ {0.0} {} {} 174.70634 0.26331 0.63231 ++ {0.0} {} {} 121.45959 0.58230 1.35676 ++ {0.0} {} 6.1636223793 0.3920 0 {} 0 0 0
43 {} 8.19824 0.05421 0.11283 ++ {0.0} {} {} 174.29677 0.30312 0.50251 ++ {0.0} {} {} 121.55635 0.49906 0.74208 ++ {0.0} {} 1.95642828941 0.0812 0 {} 0 0 0
44 {} 8.00074 0.03612 0.08233 ++ {0.0} {} {} 178.07925 0.28301 0.86089 ++ {0.0} {} {} 120.65177 0.67082 1.43694 ++ {0.0} {} 7.76388025284 0.4892 0 {} 0 0 0
45 {} 8.39397 0.04289 0.08843 ++ {0.0} {} {} 177.24657 0.32253 0.66995 ++ {0.0} {} {} 120.68932 0.60638 1.39341 ++ {0.0} {} 5.46039676666 0.3061 0 {} 0 0 0
46 {} 8.20412 0.03919 0.11431 ++ {0.0} {} {} 177.23224 0.33016 0.67886 ++ {0.0} {} {} 120.52837 0.77988 1.91569 ++ {0.0} {} 24.0326957703 0.8072 0 {} 0 0 0
47 {} 8.40520 0.03879 0.08257 ++ {0.0} {} {} 176.68471 0.22574 0.57170 ++ {0.0} {} {} 120.60798 0.64046 1.31606 ++ {0.0} {} 3.3595123291 0.2008 0 {} 0 0 0
48 {} 8.21832 0.03684 0.06590 ++ {0.0} {} {} 176.48787 0.23493 0.54059 ++ {0.0} {} {} 120.60712 0.73050 1.47175 ++ {0.0} {} 4.37804079056 0.2034 0 {} 0 0 0
49 {} 7.84515 0.04084 0.07463 ++ {0.0} {} {} 176.35117 0.23691 0.45140 ++ {0.0} {} {} 120.68519 0.66704 1.20325 ++ {0.0} {} 1.57196700573 0.1079 0 {} 0 0 0
50 {} 7.90368 0.03737 0.08832 ++ {0.0} {} {} 179.58826 0.30652 0.60977 ++ {0.0} {} {} 120.17721 0.52470 1.37287 ++ {0.0} {} 6.22578001022 0.5734 0 {} 0 0 0
51 {} 8.32179 0.03226 0.12428 ++ {0.0} {} {} 179.00809 0.28637 0.68223 ++ {0.0} {} {} 120.35024 0.56245 1.46943 ++ {0.0} {} 16.5635623932 0.9466 0 {} 0 0 0
52 {} 7.92605 0.02923 0.09961 ++ {0.0} {} {} 178.44650 0.23594 0.61031 ++ {0.0} {} {} 120.30756 0.63648 1.37915 ++ {0.0} {} 6.59217691422 0.4907 0 {} 0 0 0
53 {} 7.14206 0.04050 0.10309 ++ {0.0} {} {} 175.81712 0.27676 0.59766 ++ {0.0} {} {} 120.26779 0.67057 1.38440 ++ {0.0} {} 7.05049848557 0.5285 0 {} 0 0 0
54 {} 8.23077 0.03475 0.07698 ++ {0.0} {} {} 180.08214 0.25068 0.64163 ++ {0.0} {} {} 119.89681 0.67221 1.39161 ++ {0.0} {} 5.24319696426 0.5386 0 {} 0 0 0
55 {} 7.79737 0.03385 0.08107 ++ {0.0} {} {} 178.31372 0.27603 0.59172 ++ {0.0} {} {} 119.40932 0.52171 1.35937 ++ {0.0} {} 4.70164251328 0.3915 0 {} 0 0 0
56 {} 8.03864 0.03620 0.08693 ++ {0.0} {} {} 178.01326 0.29823 0.58949 ++ {0.0} {} {} 119.54080 0.66952 1.36725 ++ {0.0} {} 5.86264324188 0.4467 0 {} 0 0 0
57 {} 8.28686 0.03598 0.08292 ++ {0.0} {} {} 177.35881 0.23896 0.59556 ++ {0.0} {} {} 119.24043 0.54068 1.35649 ++ {0.0} {} 4.24778795242 0.3895 0 {} 0 0 0
58 {} 7.70543 0.03034 0.09341 ++ {0.0} {} {} 176.58624 0.25463 0.60510 ++ {0.0} {} {} 119.18862 0.62783 1.38907 ++ {0.0} {} 5.83294296265 0.4501 0 {} 0 0 0
59 {} 8.41841 0.02632 0.08292 ++ {0.0} {} {} 176.34096 0.23415 0.62705 ++ {0.0} {} {} 118.24883 0.50298 1.43397 ++ {0.0} {} 7.4496588707 0.5727 0 {} 0 0 0
60 {} 8.18467 0.02547 0.07855 ++ {0.0} {} {} 177.18671 0.22267 0.59026 ++ {0.0} {} {} 117.59543 0.60211 1.39890 ++ {0.0} {} 7.02745914459 0.5744 0 {} 0 0 0
61 {} 7.94913 0.03999 0.09486 ++ {0.0} {} {} 177.70618 0.30339 0.59330 ++ {0.0} {} {} 117.14679 0.50486 1.28075 ++ {0.0} {} 5.92439746857 0.3918 0 {} 0 0 0
62 {} 8.75337 0.04257 0.08477 ++ {0.0} {} {} 177.19110 0.23549 0.54304 ++ {0.0} {} {} 117.45640 0.48084 0.99387 ++ {0.0} {} 3.42508459091 0.1918 0 {} 0 0 0
63 {} 7.68746 0.03477 0.08898 ++ {0.0} {} {} 179.24118 0.24640 0.61148 ++ {0.0} {} {} 117.01030 0.52949 1.42552 ++ {0.0} {} 6.15601015091 0.5299 0 {} 0 0 0
64 {} 7.39354 0.02904 0.07559 ++ {0.0} {} {} 175.56206 0.23076 0.55248 ++ {0.0} {} {} 116.79985 0.53895 1.29776 ++ {0.0} {} 3.4298017025 0.2650 0 {} 0 0 0
65 {} 7.84828 0.03874 0.07212 ++ {0.0} {} {} 177.02449 0.23763 0.58406 ++ {0.0} {} {} 115.88666 0.52750 1.25606 ++ {0.0} {} 3.85023260117 0.2601 0 {} 0 0 0
66 {} 8.29307 0.03822 0.07539 ++ {0.0} {} {} 178.08908 0.24265 0.58676 ++ {0.0} {} {} 115.49557 0.56039 1.30076 ++ {0.0} {} 4.02547979355 0.2100 0 {} 0 0 0
67 {} 6.94568 0.04515 0.10438 ++ {0.0} {} {} 180.44942 0.25017 0.59671 ++ {0.0} {} {} 114.18622 0.74979 1.35207 ++ {0.0} {} 5.86617612839 0.2217 0 {} 0 0 0
68 {} 6.79385 0.04388 0.09973 ++ {0.0} {} {} 180.44733 0.25489 0.67296 ++ {0.0} {} {} 114.19959 0.77332 1.48670 ++ {0.0} {} 9.52970504761 0.2809 0 {} 0 0 0
69 {} 7.72306 0.03005 0.06159 ++ {0.0} {} {} 180.45299 0.23400 0.57668 ++ {0.0} {} {} 113.88037 0.66576 1.26270 ++ {0.0} {} 2.60559821129 0.2189 0 {} 0 0 0
70 {} 7.56915 0.03976 0.09565 ++ {0.0} {} {} 180.46605 0.24976 0.62129 ++ {0.0} {} {} 113.89600 0.67752 1.29289 ++ {0.0} {} 6.45102453232 0.2857 0 {} 0 0 0
71 {} 7.62519 0.05145 0.07350 ++ {0.0} {} {} 180.42282 0.25779 0.60571 ++ {0.0} {} {} 113.81276 0.49957 0.88927 ++ {0.0} {} 3.59992432594 0.1436 0 {} 0 0 0
72 {} 7.47037 0.05621 0.15532 ++ {0.0} {} {} 180.40210 0.28029 0.65212 ++ {0.0} {} {} 113.81351 0.55199 1.12987 ++ {0.0} {} 11.0170145035 0.2347 0 {} 0 0 0
73 {} 7.24820 0.03160 0.05334 ++ {0.0} {} {} 180.11087 0.21659 0.49535 ++ {0.0} {} {} 113.80350 0.45811 0.81743 ++ {0.0} {} 1.77767026424 0.1932 0 {} 0 0 0
74 {} 6.67434 0.03407 0.04656 ++ {0.0} {} {} 180.10280 0.21571 0.32611 ++ {0.0} {} {} 114.05460 0.46206 0.69854 ++ {0.0} {} 0.841055631638 0.0853 0 {} 0 0 0
75 {} 6.90655 0.03541 0.05170 ++ {0.0} {} {} 179.96870 0.21570 0.33922 ++ {0.0} {} {} 113.90672 0.66805 1.28869 ++ {0.0} {} 1.61503970623 0.0975 0 {} 0 0 0
76 {} 7.65504 0.03201 0.05588 ++ {0.0} {} {} 179.95894 0.22566 0.45941 ++ {0.0} {} {} 113.61103 0.58538 1.22657 ++ {0.0} {} 1.79390466213 0.1336 0 {} 0 0 0
77 {} 7.50144 0.02276 0.05632 ++ {0.0} {} {} 179.96211 0.22388 0.50004 ++ {0.0} {} {} 113.59050 0.72335 1.37238 ++ {0.0} {} 2.98506355286 0.1775 0 {} 0 0 0
78 {} 7.32440 0.02076 0.04945 ++ {0.0} {} {} 180.59372 0.21868 0.48387 ++ {0.0} {} {} 113.11583 0.60402 1.17881 ++ {0.0} {} 2.03896999359 0.1748 0 {} 0 0 0
79 {} 7.41372 0.03632 0.06987 ++ {0.0} {} {} 180.06845 0.37065 0.66936 ++ {0.0} {} {} 112.67701 0.59447 2.06226 ++ {0.0} {} 7.95687484741 0.2941 0 {} 0 0 0
80 {} 6.91027 0.02954 0.04647 ++ {0.0} {} {} 180.03511 0.28126 0.47423 ++ {0.0} {} {} 112.83283 0.49005 0.75858 ++ {0.0} {} 0.8474791646 0.0922 0 {} 0 0 0
81 {} 6.76100 0.02290 0.04574 ++ {0.0} {} {} 180.03293 0.30809 0.56035 ++ {0.0} {} {} 112.81750 0.54840 1.04349 ++ {0.0} {} 1.74601686001 0.1352 0 {} 0 0 0
82 {} 6.65343 0.02055 0.02474 ++ {0.0} {} {} 179.95325 0.22500 0.27078 ++ {0.0} {} {} 112.85076 0.50177 0.60386 ++ {0.0} {} 0.364907473326 0.0523 0 {} 0 0 0
83 {} 7.28478 0.02460 0.04405 ++ {0.0} {} {} 179.97330 0.20743 0.32632 ++ {0.0} {} {} 112.56260 0.79409 1.38501 ++ {0.0} {} 1.38270843029 0.0976 0 {} 0 0 0
84 {} 8.45323 0.02214 0.00467 ++ {0.0} {} {} 177.03250 0.25553 0.00902 ++ {0.0} {} {} 111.30395 0.79675 0.02812 ++ {0.0} {} 0.0212083868682 0.0212 0 {} 0 0 0
85 {} 8.25343 0.02914 0.07864 ++ {0.0} {} {} 180.32582 0.25213 0.62013 ++ {0.0} {} {} 110.80643 0.53936 1.34746 ++ {0.0} {} 4.66390180588 0.3385 0 {} 0 0 0
86 {} 7.33149 0.03768 0.06953 ++ {0.0} {} {} 178.30931 0.27259 0.55581 ++ {0.0} {} {} 110.93965 0.61970 1.24668 ++ {0.0} {} 1.90928912163 0.1817 0 {} 0 0 0
87 {} 8.39461 0.04335 0.04195 ++ {0.0} {} {} 177.15506 0.21521 0.20546 ++ {0.0} {} {} 111.07114 0.51677 0.49336 ++ {0.0} {} 0.449823647738 0.0399 0 {} 0 0 0
88 {} 8.21825 0.04306 0.08764 ++ {0.0} {} {} 177.75726 0.24275 0.58909 ++ {0.0} {} {} 109.89417 0.50760 1.12001 ++ {0.0} {} 3.32709860802 0.1984 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 . 'not observed' 8389.262 Hz . . . 4.775 . . 31015 2
2 . . C 13 C-aliphatic . 'not observed' 10553.064 Hz . . . 35.143 . . 31015 2
stop_
save_