Content for NMR-STAR saveframe, "spectral_peak_list_9"
save_spectral_peak_list_9
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_9
_Spectral_peak_list.Entry_ID 31056
_Spectral_peak_list.ID 9
_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 5
_Spectral_peak_list.Experiment_name '3D HNCO'
_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
;
label dataset sw sf
HN C13 N15
UbxHD_HNCO.nv
1999.57678223 3770.08691406 1359.98901367
599.664978027 150.811004639 60.7700004578
HN.L HN.P HN.W HN.B HN.E HN.J HN.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
0 {} 8.32397 0.02080 0.00456 ++ {0.0} {} {} 178.57843 0.15108 0.03351 ++ {0.0} {} {} 130.20758 0.23636 0.04765 ++ {0.0} {} 0.0 0.0216 1 {} 0
1 {} 7.33080 0.05385 0.06750 ++ {0.0} {} {} 184.61179 0.18214 0.20346 ++ {0.0} {} {} 129.50375 0.32008 0.36913 ++ {0.0} {} 0.0 0.0459 1 {} 0
2 {} 8.32403 0.01609 0.00957 ++ {0.0} {} {} 178.89473 0.16609 0.08306 ++ {0.0} {} {} 129.44252 0.18737 0.09038 ++ {0.0} {} 0.0 0.0256 1 {} 0
3 {50.HE1} 9.94934 0.02737 0.02632 ++ {0.0} {i.h} {} 163.45598 0.75892 0.74496 ++ {0.0} {i-1.c} {} 128.82295 0.35866 0.34448 ++ {0.0} {i.n} 0.0 0.0374 1 {} 0
4 {} 7.62826 0.05054 0.08956 ++ {0.0} {} {} 183.99878 0.23164 0.32492 ++ {0.0} {} {} 128.44063 0.30385 0.47681 ++ {0.0} {} 0.0 0.0902 1 {} 0
5 {} 8.10767 0.05380 0.06998 ++ {0.0} {} {} 184.97881 0.25460 0.31230 ++ {0.0} {} {} 128.10687 0.36389 0.48948 ++ {0.0} {} 0.0 0.0594 1 {} 0
6 {} 8.07384 0.01517 0.00981 ++ {0.0} {} {} 173.83031 0.20981 0.13499 ++ {0.0} {} {} 128.09047 0.27876 0.16403 ++ {0.0} {} 0.0 0.0275 1 {} 0
7 {} 7.66629 0.01239 0.00030 ++ {0.0} {} {} 175.44870 0.14253 0.00356 ++ {0.0} {} {} 127.35201 0.27383 0.00672 ++ {0.0} {} 0.0 0.0197 1 {} 0
8 {62.H} 7.67997 0.02736 0.04950 ++ {0.0} {i.h} {61.C} 175.43661 0.21529 0.41134 ++ {0.0} {i-1.c} {62.N} 125.29908 0.31675 0.63011 ++ {0.0} {i.n} 0.0 3.6258 1 {} 0
9 {} 7.52371 0.01401 0.01849 ++ {0.0} {} {} 180.44206 0.23367 0.30308 ++ {0.0} {} {} 124.19997 0.31580 0.44663 ++ {0.0} {} 0.0 0.0664 1 {} 0
10 {} 6.85885 0.01961 0.02016 ++ {0.0} {} {} 180.44260 0.22793 0.23475 ++ {0.0} {} {} 124.22132 0.33172 0.34597 ++ {0.0} {} 0.0 0.0406 1 {} 0
11 {18.H} 8.22503 0.02555 0.06261 ++ {0.0} {i.h} {17.C} 179.86748 0.24085 0.42945 ++ {0.0} {i-1.c} {18.N} 123.89781 0.31300 0.61566 ++ {0.0} {i.n} 0.0 1.1766 1 {} 0
12 {37.H} 8.47209 0.02368 0.05632 ++ {0.0} {i.h} {} 177.43980 0.21942 0.41264 ++ {0.0} {i-1.c} {37.N} 123.62992 0.35446 0.69040 ++ {0.0} {i.n} 0.0 0.7443 1 {} 0
13 {} 7.42113 0.01415 0.00044 ++ {0.0} {} {} 175.80708 0.21524 0.01277 ++ {0.0} {} {} 123.53367 0.29682 0.00901 ++ {0.0} {} 0.0 0.0197 1 {} 0
14 {} 6.88705 0.02038 0.00592 ++ {0.0} {} {} 175.82404 0.22228 0.04327 ++ {0.0} {} {} 123.53922 0.35393 0.05062 ++ {0.0} {} 0.0 0.0209 1 {} 0
15 {54.H} 8.16012 0.02268 0.05255 ++ {0.0} {i.h} {53.C} 177.71570 0.23731 0.42104 ++ {0.0} {i-1.c} {54.N} 123.16988 0.34107 0.66694 ++ {0.0} {i.n} 0.0 0.8724 1 {} 0
16 {30.H} 8.84686 0.02665 0.07472 ++ {0.0} {i.h} {29.C} 175.11075 0.23681 0.41521 ++ {0.0} {i-1.c} {30.N} 122.83442 0.33310 0.64819 ++ {0.0} {i.n} 0.0 0.7189 1 {} 0
17 {} 7.55108 0.01185 0.01036 ++ {0.0} {} {} 179.99574 0.23171 0.20894 ++ {0.0} {} {} 122.46705 0.31831 0.27630 ++ {0.0} {} 0.0 0.0343 1 {} 0
18 {} 6.92277 0.01946 0.01558 ++ {0.0} {} {} 179.99695 0.23862 0.18780 ++ {0.0} {} {} 122.47346 0.31958 0.22647 ++ {0.0} {} 0.0 0.0301 1 {} 0
19 {61.H} 8.32221 0.02476 0.05191 ++ {0.0} {i.h} {} 176.38046 0.23236 0.41879 ++ {0.0} {i-1.c} {61.N} 122.49957 0.31058 0.61651 ++ {0.0} {i.n} 0.0 2.6025 1 {} 0
20 {8.H} 8.56086 0.02886 0.07645 ++ {0.0} {i.h} {7.C} 176.29970 0.23621 0.41525 ++ {0.0} {i-1.c} {8.N} 122.49953 0.31178 0.60824 ++ {0.0} {i.n} 0.0 0.7910 1 {} 0
21 {48.H} 8.59350 0.02410 0.06050 ++ {0.0} {i.h} {47.C} 177.01337 0.23302 0.42158 ++ {0.0} {i-1.c} {48.N} 121.76891 0.33883 0.66495 ++ {0.0} {i.n} 0.0 1.0359 1 {} 0
22 {28.H} 8.37523 0.02991 0.06484 ++ {0.0} {i.h} {27.C} 174.63940 0.24016 0.42776 ++ {0.0} {i-1.c} {28.N} 121.80297 0.31558 0.61931 ++ {0.0} {i.n} 0.0 1.0359 1 {} 0
23 {21.H} 7.86651 0.02415 0.05600 ++ {0.0} {i.h} {} 179.70010 0.24121 0.43550 ++ {0.0} {i-1.c} {21.N} 121.09880 0.30940 0.60991 ++ {0.0} {i.n} 0.0 1.3533 1 {} 0
24 {39.H} 8.25240 0.02206 0.05204 ++ {0.0} {i.h} {38.C} 177.89586 0.24124 0.43065 ++ {0.0} {i-1.c} {39.N} 121.08267 0.32955 0.64971 ++ {0.0} {i.n} 0.0 1.3628 1 {} 0
25 {60.H} 8.11687 0.02466 0.05098 ++ {0.0} {i.h} {59.C} 176.45126 0.23698 0.41886 ++ {0.0} {i-1.c} {60.N} 121.12447 0.34641 0.68381 ++ {0.0} {i.n} 0.0 1.4943 1 {} 0
26 {47.H} 7.99583 0.02465 0.05652 ++ {0.0} {i.h} {46.C} 180.39920 0.23945 0.42882 ++ {0.0} {i-1.c} {47.N} 120.78117 0.34766 0.68076 ++ {0.0} {i.n} 0.0 0.9285 1 {} 0
27 {7.H} 8.29557 0.02750 0.08226 ++ {0.0} {i.h} {6.C} 173.85820 0.23786 0.42490 ++ {0.0} {i-1.c} {7.N} 120.75346 0.31667 0.62246 ++ {0.0} {i.n} 0.0 1.1315 1 {} 0
28 {10.H} 8.18031 0.02913 0.05894 ++ {0.0} {i.h} {9.C} 173.39763 0.23485 0.43179 ++ {0.0} {i-1.c} {10.N} 120.74809 0.30922 0.61142 ++ {0.0} {i.n} 0.0 1.7123 1 {} 0
29 {20.H} 7.94011 0.02107 0.05204 ++ {0.0} {i.h} {19.C} 179.66818 0.23929 0.43174 ++ {0.0} {i-1.c} {20.N} 120.37773 0.33503 0.65804 ++ {0.0} {i.n} 0.0 1.0836 1 {} 0
30 {35.H} 7.89186 0.02377 0.05720 ++ {0.0} {i.h} {} 178.36205 0.22517 0.42479 ++ {0.0} {i-1.c} {35.N} 120.40285 0.30859 0.60950 ++ {0.0} {i.n} 0.0 1.5646 1 {} 0
31 {33.H} 8.45866 0.02117 0.05782 ++ {0.0} {i.h} {32.C} 177.97743 0.22235 0.42312 ++ {0.0} {i-1.c} {33.N} 120.39185 0.32094 0.63124 ++ {0.0} {i.n} 0.0 1.1738 1 {} 0
32 {} 7.66840 0.01845 0.01700 ++ {0.0} {} {} 177.11667 0.23273 0.21652 ++ {0.0} {} {} 120.37764 0.28455 0.25839 ++ {0.0} {} 0.0 0.0356 1 {} 0
33 {44.H} 9.16364 0.02460 0.07692 ++ {0.0} {i.h} {} 176.34433 0.24034 0.42728 ++ {0.0} {i-1.c} {44.N} 120.40850 0.32803 0.64365 ++ {0.0} {i.n} 0.0 1.0271 1 {} 0
34 {59.H} 7.88476 0.02544 0.05973 ++ {0.0} {i.h} {} 177.54567 0.21314 0.41238 ++ {0.0} {i-1.c} {59.N} 119.98947 0.33502 0.65790 ++ {0.0} {i.n} 0.0 1.0727 1 {} 0
35 {49.H} 8.69724 0.02627 0.06693 ++ {0.0} {i.h} {48.C} 180.38869 0.24101 0.43522 ++ {0.0} {i-1.c} {49.N} 119.69959 0.30338 0.59806 ++ {0.0} {i.n} 0.0 1.3570 1 {} 0
36 {58.H} 7.49857 0.02304 0.05356 ++ {0.0} {i.h} {} 177.27155 0.23842 0.42282 ++ {0.0} {i-1.c} {58.N} 119.81992 0.34555 0.67446 ++ {0.0} {i.n} 0.0 0.8069 1 {} 0
37 {42.H} 8.19236 0.03172 0.06713 ++ {0.0} {i.h} {41.C} 173.75185 0.23868 0.42422 ++ {0.0} {i-1.c} {42.N} 119.70158 0.30900 0.60823 ++ {0.0} {i.n} 0.0 1.2305 1 {} 0
38 {51.H} 8.94670 0.02835 0.08723 ++ {0.0} {i.h} {50.C} 180.17682 0.21779 0.41451 ++ {0.0} {i-1.c} {51.N} 119.33208 0.33449 0.64890 ++ {0.0} {i.n} 0.0 0.6476 1 {} 0
39 {32.H} 7.74463 0.02716 0.06046 ++ {0.0} {i.h} {31.C} 178.51752 0.22522 0.41466 ++ {0.0} {i-1.c} {32.N} 119.46311 0.34861 0.67314 ++ {0.0} {i.n} 0.0 0.5625 1 {} 0
40 {25.H} 8.48159 0.02805 0.06427 ++ {0.0} {i.h} {24.C} 174.01024 0.24199 0.43028 ++ {0.0} {i-1.c} {25.N} 119.35504 0.31328 0.61653 ++ {0.0} {i.n} 0.0 1.2149 1 {} 0
41 {36.H} 8.71609 0.02706 0.06936 ++ {0.0} {i.h} {35.C} 180.74489 0.23916 0.42555 ++ {0.0} {i-1.c} {36.N} 118.99845 0.30272 0.59677 ++ {0.0} {i.n} 0.0 1.3561 1 {} 0
42 {34.H} 8.09533 0.02733 0.06614 ++ {0.0} {i.h} {} 177.94186 0.23905 0.42695 ++ {0.0} {i-1.c} {34.N} 118.99121 0.31880 0.62665 ++ {0.0} {i.n} 0.0 1.1311 1 {} 0
43 {17.H} 7.70164 0.02736 0.06573 ++ {0.0} {i.h} {16.C} 180.58069 0.24090 0.42689 ++ {0.0} {i-1.c} {17.N} 118.64494 0.31242 0.61462 ++ {0.0} {i.n} 0.0 1.1895 1 {} 0
44 {45.H} 8.31904 0.02525 0.06073 ++ {0.0} {i.h} {44.C} 178.59245 0.22262 0.40784 ++ {0.0} {i-1.c} {45.N} 118.65616 0.29587 0.58443 ++ {0.0} {i.n} 0.0 1.5721 1 {} 0
45 {13.H} 8.40060 0.02597 0.05812 ++ {0.0} {i.h} {12.C} 178.01163 0.24301 0.43528 ++ {0.0} {i-1.c} {13.N} 118.28999 0.32587 0.64010 ++ {0.0} {i.n} 0.0 1.0889 1 {} 0
46 {57.H} 7.35595 0.02677 0.06361 ++ {0.0} {i.h} {56.C} 177.51997 0.23932 0.42685 ++ {0.0} {i-1.c} {57.N} 118.29224 0.31884 0.62880 ++ {0.0} {i.n} 0.0 1.3939 1 {} 0
47 {55.H} 7.94238 0.02470 0.05622 ++ {0.0} {i.h} {54.C} 179.44099 0.22248 0.42087 ++ {0.0} {i-1.c} {55.N} 117.58243 0.33810 0.66057 ++ {0.0} {i.n} 0.0 0.8414 1 {} 0
48 {46.H} 8.05754 0.02412 0.05611 ++ {0.0} {i.h} {45.C} 177.94661 0.24267 0.43591 ++ {0.0} {i-1.c} {46.N} 117.59858 0.31001 0.61069 ++ {0.0} {i.n} 0.0 1.2913 1 {} 0
49 {41.H} 7.96172 0.02761 0.06358 ++ {0.0} {i.h} {40.C} 176.53342 0.24413 0.43746 ++ {0.0} {i-1.c} {41.N} 117.25422 0.31219 0.61473 ++ {0.0} {i.n} 0.0 1.2592 1 {} 0
50 {9.H} 8.17287 0.03269 0.09320 ++ {0.0} {i.h} {8.C} 175.60995 0.23309 0.40191 ++ {0.0} {i-1.c} {9.N} 117.27011 0.34485 0.66463 ++ {0.0} {i.n} 0.0 0.5347 1 {} 0
51 {} 7.52905 0.01591 0.01119 ++ {0.0} {} {} 178.70453 0.22738 0.15858 ++ {0.0} {} {} 116.93073 0.31929 0.20058 ++ {0.0} {} 0.0 0.0283 1 {} 0
52 {31.H} 8.34242 0.02321 0.05612 ++ {0.0} {i.h} {30.C} 178.09888 0.24156 0.44054 ++ {0.0} {i-1.c} {31.N} 116.19717 0.31482 0.62238 ++ {0.0} {i.n} 0.0 1.6853 1 {} 0
53 {14.H} 7.71830 0.02474 0.05713 ++ {0.0} {i.h} {13.C} 177.00098 0.21784 0.41810 ++ {0.0} {i-1.c} {14.N} 115.86428 0.33170 0.65019 ++ {0.0} {i.n} 0.0 0.9754 1 {} 0
54 {} 8.10688 0.01729 0.02824 ++ {0.0} {i.h} {} 177.36269 0.22975 0.36069 ++ {0.0} {i-1.c} {} 115.49249 0.31519 0.54978 ++ {0.0} {i.n} 0.0 0.1520 1 {} 0
55 {} 7.32392 0.02225 0.03371 ++ {0.0} {} {} 177.33127 0.23640 0.35092 ++ {0.0} {} {} 115.49812 0.32191 0.52767 ++ {0.0} {} 0.0 0.1077 1 {} 0
56 {} 7.75571 0.02401 0.00793 ++ {0.0} {} {} 176.28638 0.23901 0.03539 ++ {0.0} {} {} 115.18269 0.34852 0.03934 ++ {0.0} {} 0.0 0.0206 1 {} 0
57 {} 7.67022 0.02767 0.01024 ++ {0.0} {} {} 174.14685 0.26639 0.10303 ++ {0.0} {} {} 114.80357 0.32100 0.05656 ++ {0.0} {} 0.0 0.0213 1 {} 0
58 {38.H} 7.88828 0.02154 0.05021 ++ {0.0} {i.h} {37.C} 180.12674 0.21878 0.41966 ++ {0.0} {i-1.c} {38.N} 114.43545 0.34358 0.67420 ++ {0.0} {i.n} 0.0 1.0312 1 {} 0
59 {11.H} 9.20899 0.02757 0.07067 ++ {0.0} {i.h} {10.C} 176.87672 0.23942 0.42732 ++ {0.0} {i-1.c} {11.N} 114.46545 0.33247 0.65228 ++ {0.0} {i.n} 0.0 1.0203 1 {} 0
60 {24.H} 7.68486 0.02873 0.06351 ++ {0.0} {i.h} {23.C} 176.89542 0.23279 0.42668 ++ {0.0} {i-1.c} {24.N} 114.45206 0.30792 0.60668 ++ {0.0} {i.n} 0.0 1.3066 1 {} 0
61 {23.H} 8.03212 0.02098 0.05030 ++ {0.0} {i.h} {22.C} 176.11845 0.23072 0.43171 ++ {0.0} {i-1.c} {23.N} 113.76272 0.32131 0.63188 ++ {0.0} {i.n} 0.0 1.1632 1 {} 0
62 {15.H} 8.52744 0.02433 0.06088 ++ {0.0} {i.h} {} 177.41595 0.24007 0.42857 ++ {0.0} {i-1.c} {15.N} 113.41619 0.33558 0.66010 ++ {0.0} {i.n} 0.0 1.1783 1 {} 0
63 {} 7.92641 0.01674 0.01098 ++ {0.0} {} {} 176.01381 0.18150 0.12180 ++ {0.0} {} {} 113.42272 0.30895 0.16687 ++ {0.0} {} 0.0 0.0266 1 {} 0
64 {40.H} 8.50048 0.02889 0.07271 ++ {0.0} {i.h} {} 179.69974 0.24127 0.43397 ++ {0.0} {i-1.c} {40.N} 113.06001 0.31811 0.62437 ++ {0.0} {i.n} 0.0 1.0438 1 {} 0
65 {} 7.52333 0.01430 0.02496 ++ {0.0} {i.h} {} 180.36934 0.21841 0.37635 ++ {0.0} {i-1.c} {} 112.37749 0.36127 0.65132 ++ {0.0} {i.n} 0.0 0.1972 1 {} 0
66 {29.H} 7.71796 0.02808 0.05804 ++ {0.0} {i.h} {28.C} 178.59552 0.23976 0.42962 ++ {0.0} {i-1.c} {29.N} 112.00649 0.30942 0.61049 ++ {0.0} {i.n} 0.0 1.4413 1 {} 0
67 {53.HD21} 7.42145 0.01405 0.02074 ++ {0.0} {i.h} {} 175.74748 0.23173 0.32411 ++ {0.0} {i-1.c} {} 111.94766 0.34540 0.53319 ++ {0.0} {i.n} 0.0 0.0852 1 {} 0
68 {} 7.44003 0.01823 0.02561 ++ {0.0} {i.h} {} 179.39442 0.23144 0.31471 ++ {0.0} {i-1.c} {} 111.59372 0.33208 0.49482 ++ {0.0} {i.n} 0.0 0.0762 1 {} 0
69 {} 6.89696 0.02492 0.02886 ++ {0.0} {} {} 179.36668 0.24833 0.29027 ++ {0.0} {} {} 111.41167 0.35471 0.44491 ++ {0.0} {} 0.0 0.0521 1 {} 0
70 {54.HE} 9.28230 0.03939 0.08340 ++ {0.0} {i.h} {} 184.45973 0.24008 0.40697 ++ {0.0} {i-1.c} {54.NE} 110.94212 0.34049 0.62048 ++ {0.0} {i.n} 0.0 0.2188 1 {} 0
71 {} 7.68044 0.02739 0.03308 ++ {0.0} {} {} 175.43575 0.23057 0.28837 ++ {0.0} {} {} 110.97112 0.29564 0.39097 ++ {0.0} {} 0.0 0.0574 1 {} 0
72 {} 7.55179 0.01558 0.02658 ++ {0.0} {i.h} {} 179.93625 0.23438 0.38297 ++ {0.0} {i-1.c} {} 110.63053 0.35580 0.61282 ++ {0.0} {i.n} 0.0 0.1400 1 {} 0
73 {6.H} 8.46832 0.02980 0.07525 ++ {0.0} {i.h} {} 176.71126 0.21598 0.39372 ++ {0.0} {i-1.c} {6.N} 110.50377 0.34514 0.65221 ++ {0.0} {i.n} 0.0 0.3524 1 {} 0
74 {} 7.74822 0.02078 0.02157 ++ {0.0} {i.h} {} 178.37596 0.23440 0.24281 ++ {0.0} {i-1.c} {} 110.32097 0.35104 0.37218 ++ {0.0} {i.n} 0.0 0.0414 1 {} 0
75 {14.HE22} 6.79142 0.01836 0.02090 ++ {0.0} {i.h} {} 178.30672 0.21188 0.24069 ++ {0.0} {i-1.c} {} 110.27723 0.37599 0.44018 ++ {0.0} {i.n} 0.0 0.0469 1 {} 0
76 {} 8.16253 0.01457 0.00006 ++ {0.0} {} {} 177.67717 0.18181 0.00070 ++ {0.0} {} {} 109.90285 0.25752 0.00090 ++ {0.0} {} 0.0 0.0195 1 {} 0
77 {43.H} 8.79547 0.03062 0.06598 ++ {0.0} {i.h} {} 176.27094 0.21993 0.40972 ++ {0.0} {i-1.c} {43.N} 109.28439 0.35440 0.68586 ++ {0.0} {i.n} 0.0 0.6007 1 {} 0
78 {} 7.99897 0.01753 0.01064 ++ {0.0} {} {} 180.40118 0.21582 0.13435 ++ {0.0} {} {} 108.89057 0.25585 0.11490 ++ {0.0} {} 0.0 0.0251 1 {} 0
79 {} 7.46688 0.02765 0.03950 ++ {0.0} {} {} 184.21196 0.25245 0.38313 ++ {0.0} {} {} 108.62991 0.34729 0.59160 ++ {0.0} {} 0.0 0.1311 1 {} 0
80 {} 7.44444 0.02765 0.03950 ++ {0.0} {} {} 184.21307 0.24694 0.37500 ++ {0.0} {} {} 108.63013 0.35280 0.60099 ++ {0.0} {} 0.0 0.1311 1 {} 0
81 {} 7.89372 0.02261 0.01528 ++ {0.0} {} {} 177.54886 0.20563 0.13619 ++ {0.0} {} {} 108.52348 0.25449 0.14467 ++ {0.0} {} 0.0 0.0272 1 {} 0
82 {} 7.73299 0.01697 0.00400 ++ {0.0} {} {} 178.58467 0.20395 0.06780 ++ {0.0} {} {} 108.19839 0.34109 0.08138 ++ {0.0} {} 0.0 0.0221 1 {} 0
83 {16.H} 8.23251 0.02080 0.04387 ++ {0.0} {i.h} {15.C} 175.46005 0.24692 0.41594 ++ {0.0} {i-1.c} {16.N} 121.09744 0.30626 0.57241 ++ {0.0} {i.n} 0.0 1.5272 1 {} 0
84 {3.H} 8.52223 0.03470 0.03881 ++ {0.0} {i.h} {2.C} 174.47870 0.24318 0.26778 ++ {0.0} {i-1.c} {3.N} 124.36578 0.35560 0.41081 ++ {0.0} {i.n} 0.0 0.2368 0 {} 0
85 {5.H} 8.50495 0.02343 0.04910 ++ {0.0} {i.h} {} 176.21733 0.20783 0.33607 ++ {0.0} {i-1.c} {5.N} 123.33185 0.33090 0.57701 ++ {0.0} {i.n} 0.0 0.7805 0 {} 0
86 {50.H} 8.13265 0.02378 0.03837 ++ {0.0} {i.h} {49.C} 177.55273 0.24072 0.34918 ++ {0.0} {i-1.c} {50.N} 122.29207 0.35603 0.57989 ++ {0.0} {i.n} 0.0 0.5387 0 {} 0
87 {22.H} 9.02319 0.02195 0.04531 ++ {0.0} {i.h} {21.C} 178.60112 0.24357 0.38714 ++ {0.0} {i-1.c} {22.N} 121.44977 0.31188 0.55674 ++ {0.0} {i.n} 0.0 0.9307 0 {} 0
88 {26.H} 8.65717 0.03160 0.04759 ++ {0.0} {i.h} {25.C} 173.15791 0.23959 0.33725 ++ {0.0} {i-1.c} {26.N} 119.02187 0.34001 0.52745 ++ {0.0} {i.n} 0.0 0.4457 0 {} 0
89 {52.H} 8.23085 0.02599 0.05447 ++ {0.0} {i.h} {51.C} 177.63956 0.24356 0.41770 ++ {0.0} {i-1.c} {52.N} 118.99872 0.30894 0.58975 ++ {0.0} {i.n} 0.0 2.1970 0 {} 0
90 {53.H} 8.32607 0.02652 0.04959 ++ {0.0} {i.h} {} 178.89336 0.22683 0.36704 ++ {0.0} {i-1.c} {53.N} 117.96069 0.32817 0.59485 ++ {0.0} {i.n} 0.0 1.0674 0 {} 0
91 {56.H} 7.48512 0.02497 0.04810 ++ {0.0} {i.h} {55.C} 178.95219 0.22130 0.38852 ++ {0.0} {i-1.c} {56.N} 117.96048 0.32733 0.60124 ++ {0.0} {i.n} 0.0 1.2255 0 {} 0
92 {27.H} 7.94036 0.03027 0.04897 ++ {0.0} {i.h} {26.C} 173.12387 0.24354 0.38560 ++ {0.0} {i-1.c} {27.N} 114.79469 0.32600 0.58540 ++ {0.0} {i.n} 0.0 0.9790 0 {} 0
93 {19.H} 8.23206 0.02599 0.06331 ++ {0.0} {i.h} {18.C} 177.66219 0.24356 0.44205 ++ {0.0} {i-1.c} {19.N} 118.99872 0.30894 0.61197 ++ {0.0} {i.n} 0.0 2.1970 0 {} 0
94 {12.H} 9.09311 0.03724 0.06432 ++ {0.0} {i.h} {11.C} 175.68243 0.22544 0.33423 ++ {0.0} {i-1.c} {12.N} 123.24256 0.35289 0.55786 ++ {0.0} {i.n} 0.0 0.1563 0 {} 0
95 {4.H} 8.50495 0.02343 0.04910 ++ {0.0} {i.h} {} 176.21733 0.20783 0.33607 ++ {0.0} {i-1.c} {4.N} 123.33185 0.33090 0.57701 ++ {0.0} {i.n} 0.0 0.7805 0 {} 0
96 {46.HE22} 6.88158 0.02496 0.02749 ++ {0.0} {i.h} {} 175.74628 0.24024 0.27528 ++ {0.0} {i-1.c} {46.NE2} 111.75047 0.37166 0.44148 ++ {0.0} {i.n} 0.0 0.0516 0 {} 0
97 {} 6.88158 0.02496 0.02749 ++ {0.0} {i.h} {} 175.74628 0.24024 0.27528 ++ {0.0} {i-1.c} {} 111.75047 0.37166 0.44148 ++ {0.0} {i.n} 0.0 0.0516 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 HN . 'not observed' 6300 Hz . . . 4.778 . . 31056 9
2 . . C 13 CO . 'not observed' 3770 Hz . . . 174.000 . . 31056 9
3 . . N 15 N . 'not observed' 1360 Hz . . . 119.001 . . 31056 9
stop_
save_