Content for NMR-STAR saveframe, spectral_peak_list_7
save_spectral_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_7
_Spectral_peak_list.Entry_ID 31016
_Spectral_peak_list.ID 7
_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 CBCA(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 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
1H C13 N15
20200730_PV32_best_trosy_hnco_S.nv
2806.52709961 3017.24291992 1945.43103027
799.963989258 201.184997559 81.0690002441
1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.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 {} 7.99580 0.01887 0.00269 ++ {0.0} {} {} 175.51459 0.37036 0.06528 ++ {0.0} {} {} 129.28958 0.59432 0.10969 ++ {0.0} {} 0.213776245713 0.2138 0 {} 0 0 0
1 {} 7.96251 0.03338 0.00408 ++ {0.0} {} {} 175.54770 0.39726 0.02856 ++ {0.0} {} {} 128.11456 0.58835 0.04205 ++ {0.0} {} 0.40838009119 0.2054 0 {} 0 0 0
2 {} 8.02233 0.02745 0.07458 ++ {0.0} {} {} 174.76614 0.27257 0.61206 ++ {0.0} {} {} 127.91343 0.49949 1.07838 ++ {0.0} {} 479.555541992 22.8712 0 {} 0 0 0
3 {} 8.02123 0.02380 0.02529 ++ {0.0} {} {} 173.82158 0.27066 0.38665 ++ {0.0} {} {} 127.92163 0.50778 0.54518 ++ {0.0} {} 8.66381835937 0.4365 0 {} 0 0 0
4 {} 8.02055 0.02624 0.03692 ++ {0.0} {} {} 173.16670 0.43042 0.58414 ++ {0.0} {} {} 127.90117 0.47405 0.69886 ++ {0.0} {} 21.1668872833 0.8503 0 {} 0 0 0
5 {} 8.01908 0.02525 0.02073 ++ {0.0} {} {} 176.35651 0.25033 0.19488 ++ {0.0} {} {} 127.85719 0.46620 0.35458 ++ {0.0} {} 5.21250677109 0.3201 0 {} 0 0 0
6 {} 7.70316 0.02565 0.02791 ++ {0.0} {} {} 173.05386 0.35296 0.38054 ++ {0.0} {} {} 127.20402 0.56400 0.60801 ++ {0.0} {} 9.94365596771 0.4485 0 {} 0 0 0
7 {} 7.91856 0.02656 0.04133 ++ {0.0} {} {} 175.06999 0.35525 0.54978 ++ {0.0} {} {} 127.06966 0.52922 0.82120 ++ {0.0} {} 24.6416835785 1.1759 0 {} 0 0 0
8 {} 8.05160 0.01500 0.02143 ++ {0.0} {} {} 174.72920 0.34059 0.20258 ++ {0.0} {} {} 126.85667 0.56025 0.37743 ++ {0.0} {} 4.59282970428 0.2725 0 {} 0 0 0
9 {} 8.01976 0.02514 0.01015 ++ {0.0} {} {} 174.66272 0.25349 0.10258 ++ {0.0} {} {} 126.44012 0.33665 0.13624 ++ {0.0} {} 1.63337731361 0.2492 0 {} 0 0 0
10 {} 7.80374 0.02583 0.02803 ++ {0.0} {} {} 175.05054 0.35523 0.38322 ++ {0.0} {} {} 126.31844 0.53551 0.58675 ++ {0.0} {} 9.26068496704 0.4491 0 {} 0 0 0
11 {} 8.06942 0.02707 0.01342 ++ {0.0} {} {} 174.69318 0.36726 0.13323 ++ {0.0} {} {} 126.32322 0.59262 0.19648 ++ {0.0} {} 2.17805147171 0.2333 0 {} 0 0 0
12 {} 8.34603 0.02950 0.04477 ++ {0.0} {} {} 174.96852 0.34686 0.49861 ++ {0.0} {} {} 125.14108 0.41591 0.56666 ++ {0.0} {} 16.2026329041 0.8075 0 {} 0 0 0
13 {} 8.02269 0.03042 0.05261 ++ {0.0} {} {} 176.10291 0.36092 0.54686 ++ {0.0} {} {} 124.74635 0.54801 0.81885 ++ {0.0} {} 27.7980995178 1.0645 0 {} 0 0 0
14 {} 8.41878 0.02373 0.04472 ++ {0.0} {} {} 176.00336 0.35786 0.63029 ++ {0.0} {} {} 124.76958 0.58501 1.03702 ++ {0.0} {} 48.0575256348 2.1722 0 {} 0 0 0
15 {} 7.88678 0.02517 0.00878 ++ {0.0} {} {} 175.44293 0.34259 0.09734 ++ {0.0} {} {} 124.52917 0.51705 0.14747 ++ {0.0} {} 1.64274930954 0.2306 0 {} 0 0 0
16 {} 8.36962 0.02623 0.03747 ++ {0.0} {} {} 176.10594 0.39794 0.67241 ++ {0.0} {} {} 124.19898 0.60666 1.04214 ++ {0.0} {} 52.9970397949 1.5410 0 {} 0 0 0
17 {} 8.34172 0.01409 0.04724 ++ {0.0} {} {} 176.07047 0.29980 0.49788 ++ {0.0} {} {} 124.21929 0.57445 1.03642 ++ {0.0} {} 23.3109645844 1.6748 0 {} 0 0 0
18 {} 8.34770 0.03580 0.14354 ++ {0.0} {} {} 174.86110 0.38692 0.55275 ++ {0.0} {} {} 124.14255 0.47106 1.08974 ++ {0.0} {} 354.037963867 11.2003 0 {} 0 0 0
19 {} 8.21006 0.03732 0.11072 ++ {0.0} {} {} 174.66260 0.31515 0.65006 ++ {0.0} {} {} 124.20176 0.56811 1.05821 ++ {0.0} {} 142.825500488 4.5332 0 {} 0 0 0
20 {} 8.28610 0.03909 0.03973 ++ {0.0} {} {} 176.35680 0.32565 0.33126 ++ {0.0} {} {} 123.96977 0.45612 0.46439 ++ {0.0} {} 11.9872903824 0.4078 0 {} 0 0 0
21 {} 8.23433 0.02623 0.03747 ++ {0.0} {} {} 176.09492 0.38155 0.66223 ++ {0.0} {} {} 123.86517 0.65462 1.14583 ++ {0.0} {} 57.858001709 1.7118 0 {} 0 0 0
22 {} 8.33403 0.03457 0.09899 ++ {0.0} {} {} 174.37683 0.36206 0.51723 ++ {0.0} {} {} 123.79091 0.50874 1.10096 ++ {0.0} {} 308.705596924 10.3964 0 {} 0 0 0
23 {} 8.19302 0.03327 0.06744 ++ {0.0} {} {} 176.09294 0.38203 0.87970 ++ {0.0} {} {} 123.69279 0.60714 1.22964 ++ {0.0} {} 125.09172821 4.1172 0 {} 0 0 0
24 {} 8.53901 0.02740 0.04645 ++ {0.0} {} {} 176.96767 0.32844 0.58246 ++ {0.0} {} {} 123.55986 0.45179 0.78624 ++ {0.0} {} 29.3760757446 1.3810 0 {} 0 0 0
25 {} 8.13190 0.02699 0.07343 ++ {0.0} {} {} 176.10028 0.35507 0.59356 ++ {0.0} {} {} 123.44302 0.56942 1.17518 ++ {0.0} {} 508.126861572 22.8620 0 {} 0 0 0
26 {} 8.26722 0.02552 0.01379 ++ {0.0} {} {} 174.12007 0.37190 0.21404 ++ {0.0} {} {} 123.45564 0.56813 0.29004 ++ {0.0} {} 4.24363136292 0.2527 0 {} 0 0 0
27 {} 8.33517 0.03681 0.06457 ++ {0.0} {} {} 176.68932 0.43009 0.70349 ++ {0.0} {} {} 123.19615 0.50155 0.80889 ++ {0.0} {} 56.4951438904 1.4774 0 {} 0 0 0
28 {} 8.40489 0.03434 0.04906 ++ {0.0} {} {} 176.14308 0.37088 0.39855 ++ {0.0} {} {} 123.34576 0.77245 0.87063 ++ {0.0} {} 21.5348453522 0.4367 0 {} 0 0 0
29 {} 8.01016 0.02440 0.02555 ++ {0.0} {} {} 174.17984 0.31409 0.33124 ++ {0.0} {} {} 123.35754 0.50270 0.52984 ++ {0.0} {} 8.73482131958 0.4218 0 {} 0 0 0
30 {} 8.45583 0.04085 0.01670 ++ {0.0} {} {} 177.54913 0.35784 0.11014 ++ {0.0} {} {} 123.10214 0.57297 0.22385 ++ {0.0} {} 3.12710905075 0.2330 0 {} 0 0 0
31 {} 8.05245 0.02450 0.05187 ++ {0.0} {} {} 176.63371 0.30332 0.67155 ++ {0.0} {} {} 122.89523 0.56551 1.04264 ++ {0.0} {} 76.8039321899 3.5314 0 {} 0 0 0
32 {} 8.31314 0.07003 0.13245 ++ {0.0} {} {} 176.35262 0.58539 0.95089 ++ {0.0} {} {} 122.95729 0.68329 1.08191 ++ {0.0} {} 164.984466553 1.2837 0 {} 0 0 0
33 {} 8.55265 0.02822 0.05221 ++ {0.0} {} {} 176.26544 0.32836 0.62052 ++ {0.0} {} {} 122.94901 0.54932 0.99224 ++ {0.0} {} 39.4014205933 1.7818 0 {} 0 0 0
34 {} 7.96123 0.04123 0.03420 ++ {0.0} {} {} 175.94463 0.30245 0.24588 ++ {0.0} {} {} 122.89487 0.69766 0.60052 ++ {0.0} {} 14.2250118256 0.3284 0 {} 0 0 0
35 {} 8.39467 0.02645 0.04703 ++ {0.0} {} {} 177.21619 0.37040 0.68620 ++ {0.0} {} {} 122.69883 0.56049 0.95529 ++ {0.0} {} 46.1971626282 2.0096 0 {} 0 0 0
36 {} 7.83586 0.02695 0.05602 ++ {0.0} {} {} 175.03133 0.32897 0.64899 ++ {0.0} {} {} 122.74994 0.54637 1.05029 ++ {0.0} {} 116.471176147 5.6891 0 {} 0 0 0
37 {} 8.14892 0.03866 0.13018 ++ {0.0} {} {} 174.07466 0.31567 0.66788 ++ {0.0} {} {} 122.62581 0.42764 0.95098 ++ {0.0} {} 251.206466675 8.5531 0 {} 0 0 0
38 {} 8.00288 0.02981 0.11727 ++ {0.0} {} {} 178.82022 0.36639 0.78180 ++ {0.0} {} {} 122.53017 0.55560 1.07450 ++ {0.0} {} 311.232971191 11.5661 0 {} 0 0 0
39 {} 8.38699 0.06727 0.09234 ++ {0.0} {} {} 176.58652 0.41985 0.73976 ++ {0.0} {} {} 122.50655 0.75683 1.12669 ++ {0.0} {} 75.6318664551 0.6733 0 {} 0 0 0
40 {} 8.26818 0.05975 0.11642 ++ {0.0} {} {} 176.45308 0.52467 0.81095 ++ {0.0} {} {} 122.58742 0.55031 0.80699 ++ {0.0} {} 74.3680801392 0.9994 0 {} 0 0 0
41 {} 8.57678 0.03784 0.02905 ++ {0.0} {} {} 175.13284 0.31812 0.23957 ++ {0.0} {} {} 122.52448 0.60216 0.48331 ++ {0.0} {} 8.89144897461 0.3134 0 {} 0 0 0
42 {} 8.08627 0.03634 0.10863 ++ {0.0} {} {} 178.12358 0.37791 0.80993 ++ {0.0} {} {} 122.42583 0.46224 1.15201 ++ {0.0} {} 243.435195923 7.9045 0 {} 0 0 0
43 {} 8.46436 0.05539 0.14864 ++ {0.0} {} {} 176.29268 0.32752 0.58364 ++ {0.0} {} {} 122.31870 0.60418 1.01162 ++ {0.0} {} 71.229057312 1.4153 0 {} 0 0 0
44 {} 8.67575 0.02680 0.05709 ++ {0.0} {} {} 176.01839 0.35166 0.69775 ++ {0.0} {} {} 122.36910 0.57157 1.07729 ++ {0.0} {} 102.552894592 4.6430 0 {} 0 0 0
45 {} 8.32748 0.03185 0.04465 ++ {0.0} {} {} 175.75070 0.41041 0.57716 ++ {0.0} {} {} 122.29959 0.64103 0.84200 ++ {0.0} {} 29.0844345093 0.6651 0 {} 0 0 0
46 {} 8.17154 0.02971 0.09693 ++ {0.0} {} {} 179.23940 0.32722 0.71302 ++ {0.0} {} {} 122.16964 0.55644 1.08363 ++ {0.0} {} 364.737365723 14.9077 0 {} 0 0 0
47 {} 7.96259 0.02573 0.08499 ++ {0.0} {} {} 176.77635 0.31674 0.67983 ++ {0.0} {} {} 122.24181 0.45791 1.13812 ++ {0.0} {} 446.340423584 20.4162 0 {} 0 0 0
48 {} 7.81123 0.02126 0.00173 ++ {0.0} {} {} 176.52663 0.21440 0.01409 ++ {0.0} {} {} 122.06562 0.41966 0.02755 ++ {0.0} {} 0.608220517635 0.2055 0 {} 0 0 0
49 {} 8.05950 0.02903 0.05492 ++ {0.0} {} {} 175.40991 0.36214 0.61081 ++ {0.0} {} {} 122.23972 0.47823 0.89519 ++ {0.0} {} 35.234161377 1.5652 0 {} 0 0 0
50 {} 8.10170 0.03695 0.13604 ++ {0.0} {} {} 176.88441 0.31712 0.68020 ++ {0.0} {} {} 121.87714 0.46268 1.04424 ++ {0.0} {} 221.628875732 7.5156 0 {} 0 0 0
51 {} 8.32738 0.02948 0.06385 ++ {0.0} {} {} 176.81499 0.37253 0.59514 ++ {0.0} {} {} 121.92718 0.55240 1.13975 ++ {0.0} {} 318.747650146 11.6882 0 {} 0 0 0
52 {} 8.43762 0.03937 0.09621 ++ {0.0} {} {} 176.25801 0.40247 0.71331 ++ {0.0} {} {} 121.93888 0.88659 1.61917 ++ {0.0} {} 83.5215835571 1.2896 0 {} 0 0 0
53 {} 8.37012 0.05145 0.13816 ++ {0.0} {} {} 175.71545 0.35127 0.61041 ++ {0.0} {} {} 121.90578 0.55768 0.93528 ++ {0.0} {} 59.08045578 1.2402 0 {} 0 0 0
54 {} 8.25922 0.03504 0.11797 ++ {0.0} {} {} 175.50154 0.35748 0.73616 ++ {0.0} {} {} 122.00772 0.54178 1.10221 ++ {0.0} {} 313.26852417 10.1350 0 {} 0 0 0
55 {} 8.01955 0.02419 0.03381 ++ {0.0} {} {} 174.27357 0.32502 0.47705 ++ {0.0} {} {} 121.96870 0.56796 0.78036 ++ {0.0} {} 16.6369800568 0.8031 0 {} 0 0 0
56 {} 8.09190 0.02635 0.07894 ++ {0.0} {} {} 180.03552 0.29831 0.76114 ++ {0.0} {} {} 121.77464 0.55749 1.07752 ++ {0.0} {} 273.433532715 12.2197 0 {} 0 0 0
57 {} 8.05681 0.03243 0.10927 ++ {0.0} {} {} 177.83264 0.32545 0.70036 ++ {0.0} {} {} 121.69201 0.43986 1.05788 ++ {0.0} {} 228.812088013 9.7645 0 {} 0 0 0
58 {} 8.46148 0.03004 0.09931 ++ {0.0} {} {} 175.02805 0.33531 0.70658 ++ {0.0} {} {} 121.73855 0.52158 1.10790 ++ {0.0} {} 410.810272217 16.5704 0 {} 0 0 0
59 {} 8.23643 0.04919 0.09821 ++ {0.0} {} {} 174.23268 0.38310 0.66591 ++ {0.0} {} {} 121.73518 0.54501 0.96236 ++ {0.0} {} 69.192276001 1.5854 0 {} 0 0 0
60 {} 8.46190 0.02921 0.01975 ++ {0.0} {} {} 174.08415 0.46930 0.47086 ++ {0.0} {} {} 121.75557 0.55096 0.38057 ++ {0.0} {} 8.4097738266 0.2867 0 {} 0 0 0
61 {} 8.07565 0.02975 0.09381 ++ {0.0} {} {} 178.60388 0.36977 0.84461 ++ {0.0} {} {} 121.61012 0.55849 1.08261 ++ {0.0} {} 376.178131104 14.3166 0 {} 0 0 0
62 {} 8.20725 0.02856 0.06030 ++ {0.0} {} {} 177.42787 0.37188 0.76788 ++ {0.0} {} {} 121.59604 0.62656 1.20679 ++ {0.0} {} 120.205688477 4.0272 0 {} 0 0 0
63 {} 8.21179 0.05507 0.03147 ++ {0.0} {} {} 174.80936 0.23205 0.34946 ++ {0.0} {} {} 121.57442 0.55728 0.40236 ++ {0.0} {} 8.23923492432 0.2887 0 {} 0 0 0
64 {} 7.94375 0.03250 0.13904 ++ {0.0} {} {} 177.57355 0.39403 0.95370 ++ {0.0} {} {} 121.38764 0.55929 1.07089 ++ {0.0} {} 391.989440918 13.0874 0 {} 0 0 0
65 {} 8.25437 0.02961 0.14905 ++ {0.0} {} {} 176.88797 0.30750 0.64552 ++ {0.0} {} {} 121.31913 0.44661 1.06303 ++ {0.0} {} 518.646118164 23.2024 0 {} 0 0 0
66 {} 8.29568 0.03588 0.17364 ++ {0.0} {} {} 176.68811 0.41814 0.76858 ++ {0.0} {} {} 121.31357 0.45327 1.10398 ++ {0.0} {} 952.700134277 27.8840 0 {} 0 0 0
67 {} 8.50061 0.02591 0.08576 ++ {0.0} {} {} 176.57628 0.36603 0.59201 ++ {0.0} {} {} 121.42786 0.57421 1.17639 ++ {0.0} {} 748.552429199 32.8169 0 {} 0 0 0
68 {} 8.50020 0.02525 0.02956 ++ {0.0} {} {} 175.65558 0.27066 0.38665 ++ {0.0} {} {} 121.41682 0.58006 0.66745 ++ {0.0} {} 9.77282047272 0.5072 0 {} 0 0 0
69 {} 8.29315 0.03437 0.04147 ++ {0.0} {} {} 174.95578 0.45109 0.64442 ++ {0.0} {} {} 121.44020 0.59522 0.70357 ++ {0.0} {} 25.1356945038 0.5179 0 {} 0 0 0
70 {} 8.49580 0.02981 0.00560 ++ {0.0} {} {} 174.16379 0.50968 0.09640 ++ {0.0} {} {} 121.46169 0.56126 0.07470 ++ {0.0} {} 0.802330493927 0.2121 0 {} 0 0 0
71 {} 8.29363 0.02931 0.01606 ++ {0.0} {} {} 173.89687 0.44698 0.19309 ++ {0.0} {} {} 121.49498 0.53132 0.22345 ++ {0.0} {} 3.50343155861 0.2512 0 {} 0 0 0
72 {} 8.27308 0.02906 0.12847 ++ {0.0} {} {} 178.71663 0.34318 0.70348 ++ {0.0} {} {} 121.22562 0.55780 1.08136 ++ {0.0} {} 254.576599121 10.2910 0 {} 0 0 0
73 {} 8.14306 0.04070 0.10962 ++ {0.0} {} {} 174.32562 0.35759 0.69826 ++ {0.0} {} {} 121.18807 0.55588 1.01059 ++ {0.0} {} 88.6676330566 2.5614 0 {} 0 0 0
74 {} 7.99170 0.03159 0.09076 ++ {0.0} {} {} 177.84123 0.35356 0.72835 ++ {0.0} {} {} 120.96757 0.49459 1.15044 ++ {0.0} {} 287.383209229 10.6102 0 {} 0 0 0
75 {} 8.14524 0.04067 0.15736 ++ {0.0} {} {} 177.47685 0.31086 0.63565 ++ {0.0} {} {} 121.10940 0.49912 1.20990 ++ {0.0} {} 687.68737793 22.0699 0 {} 0 0 0
76 {} 8.04680 0.03175 0.09742 ++ {0.0} {} {} 177.38625 0.37998 0.76484 ++ {0.0} {} {} 121.08722 0.50601 1.12811 ++ {0.0} {} 333.870239258 11.9912 0 {} 0 0 0
77 {} 8.19521 0.02884 0.03660 ++ {0.0} {} {} 176.85995 0.20202 0.57551 ++ {0.0} {} {} 121.08619 0.48638 0.62815 ++ {0.0} {} 8.62327861786 0.6028 0 {} 0 0 0
78 {} 7.75555 0.04235 0.05411 ++ {0.0} {} {} 176.24542 0.37874 0.45399 ++ {0.0} {} {} 120.84007 0.55462 0.65918 ++ {0.0} {} 19.7275905609 0.5478 0 {} 0 0 0
79 {} 8.59813 0.03472 0.03425 ++ {0.0} {} {} 175.77333 0.36504 0.36028 ++ {0.0} {} {} 120.90743 0.51575 0.50694 ++ {0.0} {} 11.03723526 0.3903 0 {} 0 0 0
80 {} 8.39380 0.02689 0.00493 ++ {0.0} {} {} 174.83839 0.36669 0.06689 ++ {0.0} {} {} 120.73492 0.53814 0.08428 ++ {0.0} {} 0.822843194008 0.2159 0 {} 0 0 0
81 {} 8.04556 0.02916 0.09874 ++ {0.0} {} {} 174.19727 0.31069 0.62884 ++ {0.0} {} {} 120.58558 0.46752 1.06904 ++ {0.0} {} 620.402099609 28.8250 0 {} 0 0 0
82 {} 8.06578 0.03050 0.09063 ++ {0.0} {} {} 177.03957 0.36824 0.73437 ++ {0.0} {} {} 120.49609 0.56806 1.19106 ++ {0.0} {} 275.980316162 10.0138 0 {} 0 0 0
83 {} 7.86417 0.03451 0.13485 ++ {0.0} {} {} 176.49535 0.37514 0.83905 ++ {0.0} {} {} 120.49624 0.55914 1.08058 ++ {0.0} {} 290.258300781 9.3205 0 {} 0 0 0
84 {} 8.13840 0.02847 0.08940 ++ {0.0} {} {} 176.37016 0.35381 0.50545 ++ {0.0} {} {} 120.51198 0.57357 1.27956 ++ {0.0} {} 781.174133301 30.6947 0 {} 0 0 0
85 {} 8.13752 0.02279 0.01150 ++ {0.0} {} {} 175.05559 0.27066 0.38665 ++ {0.0} {} {} 120.48285 0.66469 0.39249 ++ {0.0} {} 4.20090961456 0.2548 0 {} 0 0 0
86 {} 8.16538 0.02130 0.02053 ++ {0.0} {} {} 178.12999 0.35806 0.34136 ++ {0.0} {} {} 120.30574 0.51486 0.49319 ++ {0.0} {} 6.24003648758 0.3770 0 {} 0 0 0
87 {} 8.45766 0.03637 0.11337 ++ {0.0} {} {} 176.65227 0.31278 0.68254 ++ {0.0} {} {} 120.36014 0.46486 1.09684 ++ {0.0} {} 270.763702393 9.4333 0 {} 0 0 0
88 {} 8.24518 0.05011 0.06832 ++ {0.0} {} {} 174.36218 0.42755 0.60461 ++ {0.0} {} {} 120.23798 0.56872 0.80205 ++ {0.0} {} 44.5474128723 0.7882 0 {} 0 0 0
89 {} 8.00074 0.03446 0.15467 ++ {0.0} {} {} 178.52354 0.31449 0.70339 ++ {0.0} {} {} 120.16363 0.48439 1.10694 ++ {0.0} {} 292.829956055 10.8827 0 {} 0 0 0
90 {} 8.38087 0.02995 0.15736 ++ {0.0} {} {} 178.24895 0.36987 0.82944 ++ {0.0} {} {} 120.10565 0.55882 1.08135 ++ {0.0} {} 295.239959717 10.9630 0 {} 0 0 0
91 {} 8.37741 0.03536 0.02336 ++ {0.0} {} {} 177.65268 0.39597 0.17819 ++ {0.0} {} {} 120.04404 0.55985 0.34117 ++ {0.0} {} 5.89402961731 0.2771 0 {} 0 0 0
92 {} 8.51560 0.02819 0.21577 ++ {0.0} {} {} 178.18954 0.33565 0.71394 ++ {0.0} {} {} 119.95440 0.51726 1.09051 ++ {0.0} {} 318.502532959 14.4309 0 {} 0 0 0
93 {} 8.27542 0.03098 0.10814 ++ {0.0} {} {} 178.24257 0.36576 0.75120 ++ {0.0} {} {} 119.91815 0.55816 1.07457 ++ {0.0} {} 252.621047974 9.0051 0 {} 0 0 0
94 {} 8.27665 0.03110 0.01159 ++ {0.0} {} {} 177.65530 0.11437 0.07023 ++ {0.0} {} {} 119.89320 0.57040 0.19547 ++ {0.0} {} 0.812194764614 0.2310 0 {} 0 0 0
95 {} 7.79782 0.03166 0.10354 ++ {0.0} {} {} 178.73422 0.38631 0.91642 ++ {0.0} {} {} 119.78542 0.48819 1.10607 ++ {0.0} {} 300.070373535 10.6905 0 {} 0 0 0
96 {} 7.86297 0.02935 0.11240 ++ {0.0} {} {} 178.44466 0.36449 0.74776 ++ {0.0} {} {} 119.72920 0.55547 1.07806 ++ {0.0} {} 316.507019043 12.2663 0 {} 0 0 0
97 {} 7.78907 0.02957 0.10812 ++ {0.0} {} {} 180.21104 0.36386 0.74936 ++ {0.0} {} {} 119.59261 0.49248 1.08492 ++ {0.0} {} 322.505584717 12.6075 0 {} 0 0 0
98 {} 8.19034 0.03914 0.05176 ++ {0.0} {} {} 178.23143 0.37663 0.43536 ++ {0.0} {} {} 119.49511 0.49515 0.57735 ++ {0.0} {} 16.0188694 0.5125 0 {} 0 0 0
99 {} 7.64400 0.06798 0.05572 ++ {0.0} {} {} 177.02977 0.38571 0.29437 ++ {0.0} {} {} 119.12768 0.57435 0.43774 ++ {0.0} {} 15.3318376541 0.3033 0 {} 0 0 0
100 {} 8.28510 0.03170 0.02827 ++ {0.0} {} {} 175.95177 0.31667 0.27884 ++ {0.0} {} {} 119.15161 0.56423 0.51251 ++ {0.0} {} 8.88428688049 0.3509 0 {} 0 0 0
101 {} 8.27724 0.02538 0.00110 ++ {0.0} {} {} 178.31097 0.35796 0.01659 ++ {0.0} {} {} 118.95846 0.28671 0.01173 ++ {0.0} {} 0.202928841114 0.2029 0 {} 0 0 0
102 {} 8.51102 0.02908 0.01247 ++ {0.0} {} {} 178.20988 0.36626 0.15955 ++ {0.0} {} {} 118.97597 0.25522 0.08901 ++ {0.0} {} 1.60490703583 0.2408 0 {} 0 0 0
103 {} 7.47774 0.02930 0.13398 ++ {0.0} {} {} 177.01950 0.36517 0.62354 ++ {0.0} {} {} 119.04122 0.47478 1.12209 ++ {0.0} {} 342.465606689 14.5834 0 {} 0 0 0
104 {} 7.86051 0.01117 0.00322 ++ {0.0} {} {} 178.46985 0.33934 0.04477 ++ {0.0} {} {} 118.77498 0.21573 0.02603 ++ {0.0} {} 0.419189870358 0.2115 0 {} 0 0 0
105 {} 8.01701 0.02751 0.10522 ++ {0.0} {} {} 178.24841 0.36776 0.82032 ++ {0.0} {} {} 118.77776 0.55542 1.07782 ++ {0.0} {} 378.743896484 14.1983 0 {} 0 0 0
106 {} 8.19669 0.02917 0.10129 ++ {0.0} {} {} 180.13620 0.32048 0.74401 ++ {0.0} {} {} 118.36316 0.52097 1.09008 ++ {0.0} {} 220.41998291 10.2382 0 {} 0 0 0
107 {} 8.57239 0.03060 0.13408 ++ {0.0} {} {} 177.53773 0.36666 0.77237 ++ {0.0} {} {} 118.20057 0.56173 1.07824 ++ {0.0} {} 267.709503174 9.9226 0 {} 0 0 0
108 {} 8.20899 0.03674 0.15241 ++ {0.0} {} {} 175.80405 0.37877 0.86411 ++ {0.0} {} {} 118.21049 0.55993 1.07402 ++ {0.0} {} 274.076843262 8.4512 0 {} 0 0 0
109 {} 7.76757 0.02900 0.09295 ++ {0.0} {} {} 179.47964 0.33386 0.70688 ++ {0.0} {} {} 117.98737 0.51720 1.07494 ++ {0.0} {} 234.759490967 11.0360 0 {} 0 0 0
110 {} 7.58672 0.02968 0.08066 ++ {0.0} {} {} 178.23253 0.36356 0.71017 ++ {0.0} {} {} 117.95844 0.47136 1.00193 ++ {0.0} {} 143.492050171 6.0873 0 {} 0 0 0
111 {} 7.46269 0.03315 0.01231 ++ {0.0} {} {} 176.93158 0.38792 0.11944 ++ {0.0} {} {} 117.38233 0.46119 0.10069 ++ {0.0} {} 3.12116837502 0.2232 0 {} 0 0 0
112 {} 7.60239 0.03007 0.10813 ++ {0.0} {} {} 176.52901 0.29221 0.65746 ++ {0.0} {} {} 117.54984 0.46456 1.13017 ++ {0.0} {} 265.495666504 11.6952 0 {} 0 0 0
113 {} 8.10993 0.04203 0.14616 ++ {0.0} {} {} 175.90211 0.37468 0.85944 ++ {0.0} {} {} 117.35505 0.47861 1.12111 ++ {0.0} {} 297.665252686 8.7079 0 {} 0 0 0
114 {} 7.69014 0.03668 0.01768 ++ {0.0} {} {} 178.57727 0.39150 0.23376 ++ {0.0} {} {} 116.86324 0.52719 0.25088 ++ {0.0} {} 4.37898397446 0.2547 0 {} 0 0 0
115 {} 8.22596 0.04679 0.04594 ++ {0.0} {} {} 177.50140 0.43280 0.42574 ++ {0.0} {} {} 116.85998 0.57870 0.56801 ++ {0.0} {} 18.1088886261 0.3887 0 {} 0 0 0
116 {} 6.95786 0.03634 0.00270 ++ {0.0} {} {} 180.19131 0.37898 0.01598 ++ {0.0} {} {} 116.15007 0.59546 0.08124 ++ {0.0} {} 0.20245487988 0.2025 0 {} 0 0 0
117 {} 7.87770 0.03252 0.04257 ++ {0.0} {} {} 176.99539 0.30255 0.42283 ++ {0.0} {} {} 115.74515 0.54810 0.72832 ++ {0.0} {} 18.231628418 0.6788 0 {} 0 0 0
118 {} 7.35614 0.02663 0.08929 ++ {0.0} {} {} 176.86842 0.37729 0.88451 ++ {0.0} {} {} 115.72800 0.49667 1.06363 ++ {0.0} {} 329.709564209 13.8528 0 {} 0 0 0
119 {} 8.09908 0.03526 0.09854 ++ {0.0} {} {} 174.66837 0.33437 0.69411 ++ {0.0} {} {} 115.80637 0.56695 1.06501 ++ {0.0} {} 175.985931396 5.5682 0 {} 0 0 0
120 {} 8.32441 0.03997 0.04730 ++ {0.0} {} {} 178.08725 0.38740 0.45149 ++ {0.0} {} {} 115.36884 0.56807 0.67195 ++ {0.0} {} 20.384771347 0.5141 0 {} 0 0 0
121 {} 8.11757 0.04721 0.06744 ++ {0.0} {} {} 178.25569 0.34766 0.50604 ++ {0.0} {} {} 114.67625 0.60341 0.86554 ++ {0.0} {} 35.3240509033 0.8461 0 {} 0 0 0
122 {} 8.03038 0.02807 0.10477 ++ {0.0} {} {} 178.22876 0.36517 0.75959 ++ {0.0} {} {} 114.67641 0.56094 1.09048 ++ {0.0} {} 347.364227295 13.5639 0 {} 0 0 0
123 {} 8.02986 0.01550 0.00082 ++ {0.0} {} {} 176.96266 0.35197 0.01757 ++ {0.0} {} {} 114.70647 0.50059 0.02756 ++ {0.0} {} 0.204152271152 0.2042 0 {} 0 0 0
124 {} 7.55393 0.02397 0.04630 ++ {0.0} {} {} 179.29373 0.35919 0.61969 ++ {0.0} {} {} 114.00294 0.40538 0.72214 ++ {0.0} {} 38.2135810852 1.8991 0 {} 0 0 0
125 {} 7.43983 0.02485 0.05199 ++ {0.0} {} {} 179.29536 0.35531 0.64798 ++ {0.0} {} {} 114.00583 0.40493 0.74827 ++ {0.0} {} 55.9637985229 2.8232 0 {} 0 0 0
126 {} 6.96544 0.02876 0.05067 ++ {0.0} {} {} 179.29465 0.36520 0.61090 ++ {0.0} {} {} 114.15802 0.45387 0.74902 ++ {0.0} {} 34.9048614502 1.5284 0 {} 0 0 0
127 {} 6.85237 0.02565 0.05221 ++ {0.0} {} {} 179.29434 0.36789 0.64677 ++ {0.0} {} {} 114.16013 0.44951 0.76463 ++ {0.0} {} 45.7318344116 2.0641 0 {} 0 0 0
128 {} 8.02827 0.02325 0.01136 ++ {0.0} {} {} 178.22720 0.39393 0.20558 ++ {0.0} {} {} 113.71799 0.22098 0.08568 ++ {0.0} {} 1.61951303482 0.2466 0 {} 0 0 0
129 {} 7.50874 0.04286 0.11240 ++ {0.0} {} {} 180.43005 0.40647 0.70932 ++ {0.0} {} {} 113.49664 0.56244 0.92225 ++ {0.0} {} 93.6656112671 1.9002 0 {} 0 0 0
130 {} 7.70611 0.02569 0.05084 ++ {0.0} {} {} 180.26495 0.29839 0.59973 ++ {0.0} {} {} 113.46147 0.44622 0.76560 ++ {0.0} {} 47.3230400085 2.2842 0 {} 0 0 0
131 {} 7.30501 0.02745 0.05897 ++ {0.0} {} {} 180.15865 0.29318 0.59004 ++ {0.0} {} {} 113.30695 0.50503 0.86083 ++ {0.0} {} 65.8889846802 3.1810 0 {} 0 0 0
132 {} 6.95972 0.04646 0.08936 ++ {0.0} {} {} 180.18259 0.38064 0.76721 ++ {0.0} {} {} 113.41697 0.57382 1.09017 ++ {0.0} {} 243.46434021 4.9952 0 {} 0 0 0
133 {} 6.84601 0.04039 0.08017 ++ {0.0} {} {} 180.16879 0.34790 0.74947 ++ {0.0} {} {} 113.43258 0.51586 1.07091 ++ {0.0} {} 238.115585327 6.3680 0 {} 0 0 0
134 {} 7.58507 0.03792 0.14183 ++ {0.0} {} {} 180.25479 0.33305 0.74458 ++ {0.0} {} {} 113.19311 0.89175 1.49064 ++ {0.0} {} 242.915985107 4.5376 0 {} 0 0 0
135 {} 7.43925 0.05603 0.12467 ++ {0.0} {} {} 180.15120 0.31377 0.73769 ++ {0.0} {} {} 113.10740 0.54584 0.98191 ++ {0.0} {} 224.821105957 5.1025 0 {} 0 0 0
136 {} 7.34878 0.02623 0.03747 ++ {0.0} {} {} 180.08601 0.38430 0.16263 ++ {0.0} {} {} 113.19795 0.61513 0.21860 ++ {0.0} {} 5.48726940155 0.2368 0 {} 0 0 0
137 {} 7.44248 0.02549 0.03801 ++ {0.0} {} {} 179.26637 0.38525 0.58820 ++ {0.0} {} {} 113.07397 0.72179 1.03113 ++ {0.0} {} 30.8350124359 0.9047 0 {} 0 0 0
138 {} 7.46610 0.02739 0.14083 ++ {0.0} {} {} 180.24965 0.34586 0.77043 ++ {0.0} {} {} 113.05048 0.65212 1.28609 ++ {0.0} {} 150.47644043 4.6856 0 {} 0 0 0
139 {} 6.85512 0.02509 0.02761 ++ {0.0} {} {} 179.19870 0.31147 0.35003 ++ {0.0} {} {} 113.02113 0.50743 0.56169 ++ {0.0} {} 9.28173160553 0.4577 0 {} 0 0 0
140 {} 7.30802 0.02334 0.03827 ++ {0.0} {} {} 180.11977 0.34555 0.51648 ++ {0.0} {} {} 112.35471 0.63311 0.99378 ++ {0.0} {} 24.8289833069 1.0021 0 {} 0 0 0
141 {} 7.46940 0.03229 0.07631 ++ {0.0} {} {} 180.21996 0.38251 0.65240 ++ {0.0} {} {} 112.12361 0.68744 0.98206 ++ {0.0} {} 64.598815918 1.7240 0 {} 0 0 0
142 {} 8.61269 0.03371 0.03201 ++ {0.0} {} {} 176.98471 0.30577 0.28568 ++ {0.0} {} {} 111.96297 0.47230 0.44344 ++ {0.0} {} 9.61837673187 0.3732 0 {} 0 0 0
143 {} 6.95234 0.02895 0.05346 ++ {0.0} {} {} 179.65565 0.33357 0.59424 ++ {0.0} {} {} 111.82578 0.55638 0.95025 ++ {0.0} {} 46.5587654114 1.9367 0 {} 0 0 0
144 {} 6.83905 0.02965 0.06108 ++ {0.0} {} {} 179.68065 0.32964 0.68061 ++ {0.0} {} {} 111.82175 0.56252 1.01161 ++ {0.0} {} 67.9225997925 2.6418 0 {} 0 0 0
145 {} 7.22667 0.02377 0.04441 ++ {0.0} {} {} 179.65500 0.33802 0.62260 ++ {0.0} {} {} 111.72823 0.49501 1.00230 ++ {0.0} {} 40.1540222168 2.0385 0 {} 0 0 0
146 {} 7.11243 0.02419 0.05390 ++ {0.0} {} {} 179.65735 0.33817 0.65589 ++ {0.0} {} {} 111.72165 0.56604 1.11251 ++ {0.0} {} 61.8958320618 2.8454 0 {} 0 0 0
147 {} 8.72517 0.04325 0.07547 ++ {0.0} {} {} 177.16608 0.38383 0.59921 ++ {0.0} {} {} 111.54231 0.47898 0.76776 ++ {0.0} {} 40.0377731323 1.0583 0 {} 0 0 0
148 {} 8.47911 0.02753 0.01767 ++ {0.0} {} {} 176.80577 0.35545 0.24104 ++ {0.0} {} {} 111.55138 0.47961 0.26098 ++ {0.0} {} 4.24843835831 0.2729 0 {} 0 0 0
149 {} 8.58938 0.03600 0.08000 ++ {0.0} {} {} 174.78296 0.33318 0.62035 ++ {0.0} {} {} 111.13992 0.52354 0.95545 ++ {0.0} {} 63.0034141541 2.0473 0 {} 0 0 0
150 {} 7.11569 0.02545 0.03662 ++ {0.0} {} {} 179.62569 0.36034 0.50288 ++ {0.0} {} {} 110.76608 0.60173 0.88587 ++ {0.0} {} 19.0738544464 0.8187 0 {} 0 0 0
151 {} 6.84123 0.02553 0.03234 ++ {0.0} {} {} 179.57996 0.31064 0.39886 ++ {0.0} {} {} 110.70217 0.52861 0.62838 ++ {0.0} {} 12.0784235001 0.5922 0 {} 0 0 0
152 {} 8.22853 0.02633 0.07807 ++ {0.0} {} {} 176.50359 0.32298 0.46139 ++ {0.0} {} {} 110.55524 0.55418 1.07631 ++ {0.0} {} 364.33026123 16.3017 0 {} 0 0 0
153 {} 8.22683 0.02563 0.00931 ++ {0.0} {} {} 174.58763 0.56477 0.27263 ++ {0.0} {} {} 110.52995 0.57861 0.24109 ++ {0.0} {} 3.09540724754 0.2362 0 {} 0 0 0
154 {} 8.37381 0.04738 0.08600 ++ {0.0} {} {} 176.80751 0.36986 0.56591 ++ {0.0} {} {} 110.11008 0.55691 0.85262 ++ {0.0} {} 43.342250824 1.0316 0 {} 0 0 0
155 {} 8.48242 0.05112 0.09799 ++ {0.0} {} {} 177.66446 0.36250 0.63148 ++ {0.0} {} {} 109.70094 0.44744 0.76718 ++ {0.0} {} 61.5569076538 1.4200 0 {} 0 0 0
156 {} 8.71857 0.03519 0.09974 ++ {0.0} {} {} 178.30972 0.35068 0.70596 ++ {0.0} {} {} 109.39462 0.55994 1.04012 ++ {0.0} {} 134.724853516 4.3110 0 {} 0 0 0
157 {} 8.33555 0.05552 0.09594 ++ {0.0} {} {} 175.04930 0.38267 0.63232 ++ {0.0} {} {} 109.28503 0.48740 0.81228 ++ {0.0} {} 64.3847503662 1.4016 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 HN . 'not observed' 2806.527 Hz . . . 4.792 . . 31016 7
2 . . C 13 C-aliphatic . 'not observed' 12873.572 Hz . . . 45.119 . . 31016 7
3 . . N 15 HN . 'not observed' 1945.431 Hz . . . 119.156 . . 31016 7
stop_
save_