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 30870
_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 10
_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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
H1 C13 N15
20191118_JR21_gcbca_co_hn_S.nv
2404.53930664 9649.31054687 1800.0
599.607971191 150.776992798 60.7649993896
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 {} 7.91500 0.02682 0.04843 ++ {0.0} {} {} 56.67664 0.85830 1.72633 ++ {0.0} {} {} 128.64699 0.11503 0.20291 ++ {0.0} {} 0.0 -0.4725 0 {} 0 0 0
1 {} 7.91546 0.02654 0.04093 ++ {0.0} {} {} 30.24471 0.78960 1.29202 ++ {0.0} {} {} 128.64099 0.12946 0.19512 ++ {0.0} {} 0.0 -0.2262 0 {} 0 0 0
2 {} 7.91235 0.03281 0.09728 ++ {0.0} {} {} 56.67266 0.86293 1.88124 ++ {0.0} {} {} 127.48977 0.69784 1.77934 ++ {0.0} {} 0.0 5.9872 0 {} 0 0 0
3 {} 7.83984 0.08911 0.01998 ++ {0.0} {} {} 56.68738 0.82864 0.11740 ++ {0.0} {} {} 127.65908 0.63870 0.09049 ++ {0.0} {} 0.0 0.0600 0 {} 0 0 0
4 {} 7.90866 0.02904 0.01560 ++ {0.0} {} {} 50.58017 1.42446 0.80413 ++ {0.0} {} {} 127.52706 0.80076 0.39225 ++ {0.0} {} 0.0 -0.0738 0 {} 0 0 0
5 {} 7.91228 0.03279 0.08353 ++ {0.0} {} {} 30.24573 0.77682 1.98379 ++ {0.0} {} {} 127.48960 0.69762 1.72071 ++ {0.0} {} 0.0 2.9138 0 {} 0 0 0
6 {} 8.36450 0.03687 0.05343 ++ {0.0} {} {} 55.94284 0.75090 1.09837 ++ {0.0} {} {} 124.15920 0.61066 0.89324 ++ {0.0} {} 0.0 0.2075 0 {} 0 0 0
7 {} 8.35472 0.03092 0.00549 ++ {0.0} {} {} 41.57264 1.06524 0.16187 ++ {0.0} {} {} 124.11501 0.68375 0.33399 ++ {0.0} {} 0.0 -0.0603 0 {} 0 0 0
8 {} 8.36350 0.03820 0.03703 ++ {0.0} {} {} 30.87871 0.73643 0.71224 ++ {0.0} {} {} 124.15770 0.63544 0.61456 ++ {0.0} {} 0.0 0.1080 0 {} 0 0 0
9 {} 8.73555 0.03438 0.02604 ++ {0.0} {} {} 55.99088 0.90925 0.67341 ++ {0.0} {} {} 123.78667 0.64330 0.47644 ++ {0.0} {} 0.0 0.0885 0 {} 0 0 0
10 {} 8.73627 0.03873 0.00075 ++ {0.0} {} {} 31.05519 1.01969 0.01804 ++ {0.0} {} {} 123.77776 0.76002 0.01333 ++ {0.0} {} 0.0 0.0562 0 {} 0 0 0
11 {} 7.96461 0.03580 0.01899 ++ {0.0} {} {} 58.78912 0.82457 0.33989 ++ {0.0} {} {} 123.54145 0.13490 0.05560 ++ {0.0} {} 0.0 -0.0702 0 {} 0 0 0
12 {} 8.34188 0.02316 0.03405 ++ {0.0} {} {} 56.97824 0.84710 0.46564 ++ {0.0} {} {} 123.46563 0.46917 0.25790 ++ {0.0} {} 0.0 -0.0769 0 {} 0 0 0
13 {} 8.24708 0.03264 0.01680 ++ {0.0} {} {} 45.22856 0.81823 0.25400 ++ {0.0} {} {} 123.35957 0.67376 0.42055 ++ {0.0} {} 0.0 -0.0660 0 {} 0 0 0
14 {} 8.39058 0.03154 0.02077 ++ {0.0} {} {} 59.00500 0.94394 0.53468 ++ {0.0} {} {} 123.07762 0.12843 0.07275 ++ {0.0} {} 0.0 -0.0778 0 {} 0 0 0
15 {} 8.40403 0.03780 0.02700 ++ {0.0} {} {} 57.23149 0.20011 0.11561 ++ {0.0} {} {} 123.08273 0.16458 0.20919 ++ {0.0} {} 0.0 -0.0784 0 {} 0 0 0
16 {} 8.29032 0.02711 0.04021 ++ {0.0} {} {} 56.88619 0.77159 1.34990 ++ {0.0} {} {} 123.09756 0.10481 0.16274 ++ {0.0} {} 0.0 -0.2493 0 {} 0 0 0
17 {} 8.42245 0.04319 0.12761 ++ {0.0} {} {} 55.95193 0.83958 1.86872 ++ {0.0} {} {} 122.98923 0.85414 1.69983 ++ {0.0} {} 0.0 0.8658 0 {} 0 0 0
18 {} 8.20640 0.04200 0.04104 ++ {0.0} {} {} 54.52839 0.97195 0.94296 ++ {0.0} {} {} 122.85905 1.05671 1.50958 ++ {0.0} {} 0.0 -0.1083 0 {} 0 0 0
19 {} 8.42273 0.04194 0.10224 ++ {0.0} {} {} 30.98321 0.87738 1.78609 ++ {0.0} {} {} 122.99154 0.72130 1.51855 ++ {0.0} {} 0.0 0.5171 0 {} 0 0 0
20 {} 8.29055 0.02853 0.03299 ++ {0.0} {} {} 30.50723 0.91730 1.06980 ++ {0.0} {} {} 123.09525 0.10510 0.12257 ++ {0.0} {} 0.0 -0.1337 0 {} 0 0 0
21 {} 8.07126 0.03840 0.00879 ++ {0.0} {} {} 59.01184 0.90700 0.16263 ++ {0.0} {} {} 122.55802 0.29722 0.05329 ++ {0.0} {} 0.0 -0.0612 0 {} 0 0 0
22 {} 7.96237 0.04042 0.08909 ++ {0.0} {} {} 58.85230 0.74825 1.79227 ++ {0.0} {} {} 122.45530 0.79086 1.57247 ++ {0.0} {} 0.0 0.6110 0 {} 0 0 0
23 {} 8.66949 0.07738 0.14544 ++ {0.0} {} {} 55.93781 0.81818 1.55314 ++ {0.0} {} {} 122.37243 0.64937 1.11346 ++ {0.0} {} 0.0 0.2935 0 {} 0 0 0
24 {} 8.35600 0.03081 0.04042 ++ {0.0} {} {} 54.54187 1.02400 1.44331 ++ {0.0} {} {} 122.51531 0.57357 0.83402 ++ {0.0} {} 0.0 -0.2042 0 {} 0 0 0
25 {} 8.35671 0.02700 0.03552 ++ {0.0} {} {} 41.46629 0.88708 1.23563 ++ {0.0} {} {} 122.50598 0.55271 0.74275 ++ {0.0} {} 0.0 -0.1699 0 {} 0 0 0
26 {} 8.66808 0.07231 0.08134 ++ {0.0} {} {} 33.22143 0.81802 0.95022 ++ {0.0} {} {} 122.38685 0.69322 0.80525 ++ {0.0} {} 0.0 0.1330 0 {} 0 0 0
27 {} 7.96213 0.04102 0.06615 ++ {0.0} {} {} 29.42121 0.78007 1.39283 ++ {0.0} {} {} 122.45091 0.76334 1.26959 ++ {0.0} {} 0.0 0.2765 0 {} 0 0 0
28 {} 8.11386 0.03918 0.01128 ++ {0.0} {} {} 63.68413 0.76497 0.21540 ++ {0.0} {} {} 122.17072 0.09818 0.02764 ++ {0.0} {} 0.0 -0.0649 0 {} 0 0 0
29 {} 8.11140 0.03468 0.02935 ++ {0.0} {} {} 59.46540 0.85809 0.71080 ++ {0.0} {} {} 122.18450 0.09913 0.08211 ++ {0.0} {} 0.0 -0.0952 0 {} 0 0 0
30 {} 8.38855 0.03975 0.10444 ++ {0.0} {} {} 59.00199 0.95820 1.88360 ++ {0.0} {} {} 121.91943 0.99367 1.41952 ++ {0.0} {} 0.0 0.6862 0 {} 0 0 0
31 {} 8.22120 0.03418 0.00784 ++ {0.0} {} {} 59.15633 1.09273 0.17535 ++ {0.0} {} {} 122.21191 0.06614 0.01061 ++ {0.0} {} 0.0 -0.0606 0 {} 0 0 0
32 {} 8.28657 0.03657 0.16318 ++ {0.0} {} {} 56.88142 0.77698 2.06336 ++ {0.0} {} {} 121.95152 0.73213 1.78004 ++ {0.0} {} 0.0 3.1575 0 {} 0 0 0
33 {} 8.28596 0.03599 0.05884 ++ {0.0} {} {} 55.40290 0.19076 0.29865 ++ {0.0} {} {} 121.97689 0.73843 1.19995 ++ {0.0} {} 0.0 -0.2567 0 {} 0 0 0
34 {} 8.27054 0.02329 0.02909 ++ {0.0} {} {} 41.40145 0.81481 1.07093 ++ {0.0} {} {} 122.09151 0.45373 0.59634 ++ {0.0} {} 0.0 -0.1626 0 {} 0 0 0
35 {} 8.28651 0.03642 0.09831 ++ {0.0} {} {} 30.49671 0.91109 1.84685 ++ {0.0} {} {} 121.95430 0.73002 1.69229 ++ {0.0} {} 0.0 1.6991 0 {} 0 0 0
36 {} 8.38847 0.04084 0.06331 ++ {0.0} {} {} 28.18400 0.85687 1.50656 ++ {0.0} {} {} 121.92622 0.35387 1.30290 ++ {0.0} {} 0.0 0.2714 0 {} 0 0 0
37 {} 8.53243 0.03049 0.00850 ++ {0.0} {} {} 59.66244 0.84875 0.18487 ++ {0.0} {} {} 121.70369 0.10721 0.02335 ++ {0.0} {} 0.0 -0.0626 0 {} 0 0 0
38 {} 8.06724 0.05005 0.11129 ++ {0.0} {} {} 58.99025 0.97325 1.93304 ++ {0.0} {} {} 121.32559 0.54609 0.99781 ++ {0.0} {} 0.0 0.6452 0 {} 0 0 0
39 {} 7.97434 0.03229 0.01799 ++ {0.0} {} {} 57.60385 0.89903 0.38010 ++ {0.0} {} {} 121.53258 0.46669 0.55606 ++ {0.0} {} 0.0 -0.0707 0 {} 0 0 0
40 {} 8.15951 0.03061 0.03988 ++ {0.0} {} {} 56.44187 0.80781 1.19687 ++ {0.0} {} {} 121.70157 0.10123 0.14455 ++ {0.0} {} 0.0 -0.1949 0 {} 0 0 0
41 {} 8.24912 0.04022 0.05568 ++ {0.0} {} {} 45.30130 0.70597 0.93630 ++ {0.0} {} {} 121.72704 0.08086 0.10724 ++ {0.0} {} 0.0 -0.1655 0 {} 0 0 0
42 {} 8.47605 0.03716 0.04614 ++ {0.0} {} {} 42.41516 0.79088 1.02120 ++ {0.0} {} {} 121.60857 0.71465 0.92278 ++ {0.0} {} 0.0 0.1573 0 {} 0 0 0
43 {} 8.33833 0.03473 0.05300 ++ {0.0} {} {} 36.51719 0.95917 1.51897 ++ {0.0} {} {} 121.48167 0.66696 1.00868 ++ {0.0} {} 0.0 0.2286 0 {} 0 0 0
44 {} 8.15711 0.03297 0.02721 ++ {0.0} {} {} 29.31677 0.72364 0.50509 ++ {0.0} {} {} 121.71394 0.09249 0.06456 ++ {0.0} {} 0.0 -0.0856 0 {} 0 0 0
45 {} 8.06618 0.03751 0.06345 ++ {0.0} {} {} 28.29066 0.73524 1.17957 ++ {0.0} {} {} 121.35857 0.54827 0.84390 ++ {0.0} {} 0.0 0.2420 0 {} 0 0 0
46 {} 8.11041 0.04292 0.12798 ++ {0.0} {} {} 63.63540 0.95975 1.79596 ++ {0.0} {} {} 121.05472 0.77882 1.61217 ++ {0.0} {} 0.0 0.8552 0 {} 0 0 0
47 {} 8.48762 0.03994 0.13215 ++ {0.0} {} {} 63.29287 0.72081 1.80121 ++ {0.0} {} {} 121.16357 0.68589 1.66531 ++ {0.0} {} 0.0 1.1736 0 {} 0 0 0
48 {} 8.64251 0.04244 0.03492 ++ {0.0} {} {} 62.71180 0.81780 0.61180 ++ {0.0} {} {} 121.08899 0.79725 0.59643 ++ {0.0} {} 0.0 0.0891 0 {} 0 0 0
49 {} 8.48585 0.04163 0.01979 ++ {0.0} {} {} 61.90997 0.11145 0.04710 ++ {0.0} {} {} 121.12995 0.75074 0.31727 ++ {0.0} {} 0.0 -0.0707 0 {} 0 0 0
50 {} 8.11038 0.04557 0.15805 ++ {0.0} {} {} 59.47392 0.92818 1.32598 ++ {0.0} {} {} 121.05721 0.80028 1.62298 ++ {0.0} {} 0.0 1.0819 0 {} 0 0 0
51 {} 8.22094 0.03781 0.08577 ++ {0.0} {} {} 59.22716 0.77801 1.76297 ++ {0.0} {} {} 121.13982 0.73630 1.60219 ++ {0.0} {} 0.0 0.6926 0 {} 0 0 0
52 {} 8.39991 0.03636 0.24404 ++ {0.0} {} {} 56.99967 1.07713 1.90784 ++ {0.0} {} {} 121.03568 0.79234 1.98485 ++ {0.0} {} 0.0 3.1324 0 {} 0 0 0
53 {} 8.39857 0.02682 0.03466 ++ {0.0} {} {} 55.52444 0.29573 0.40246 ++ {0.0} {} {} 120.98294 0.63546 0.86480 ++ {0.0} {} 0.0 -0.1745 0 {} 0 0 0
54 {} 8.35274 0.03194 0.11232 ++ {0.0} {} {} 54.53106 0.99553 1.42219 ++ {0.0} {} {} 121.20911 0.66074 1.78564 ++ {0.0} {} 0.0 3.2592 0 {} 0 0 0
55 {} 8.21022 0.02718 0.03764 ++ {0.0} {} {} 54.53046 1.03736 1.65605 ++ {0.0} {} {} 121.24674 0.10253 0.16653 ++ {0.0} {} 0.0 -0.2967 0 {} 0 0 0
56 {} 8.35047 0.03884 0.04246 ++ {0.0} {} {} 53.00885 0.40559 0.45750 ++ {0.0} {} {} 121.22425 0.64346 0.72582 ++ {0.0} {} 0.0 -0.1279 0 {} 0 0 0
57 {} 8.35178 0.04098 0.02774 ++ {0.0} {} {} 42.79762 0.04185 0.02911 ++ {0.0} {} {} 121.22594 0.64778 0.45059 ++ {0.0} {} 0.0 -0.0855 0 {} 0 0 0
58 {} 8.35299 0.03530 0.12775 ++ {0.0} {} {} 41.47238 0.87494 1.91548 ++ {0.0} {} {} 121.21204 0.65482 1.78069 ++ {0.0} {} 0.0 2.8902 0 {} 0 0 0
59 {} 8.21080 0.02858 0.03929 ++ {0.0} {} {} 41.14069 0.92990 1.59422 ++ {0.0} {} {} 121.24599 0.10447 0.16547 ++ {0.0} {} 0.0 -0.2679 0 {} 0 0 0
60 {} 8.35337 0.03398 0.02760 ++ {0.0} {} {} 39.93398 0.14329 0.10885 ++ {0.0} {} {} 121.22169 0.65908 0.50065 ++ {0.0} {} 0.0 -0.0899 0 {} 0 0 0
61 {} 8.48809 0.03955 0.11440 ++ {0.0} {} {} 32.14603 1.12226 1.60322 ++ {0.0} {} {} 121.16274 0.68467 1.54976 ++ {0.0} {} 0.0 0.6204 0 {} 0 0 0
62 {} 8.39998 0.03508 0.09904 ++ {0.0} {} {} 30.45387 0.84702 1.92920 ++ {0.0} {} {} 121.03548 0.78946 1.93110 ++ {0.0} {} 0.0 1.6194 0 {} 0 0 0
63 {} 8.22190 0.04061 0.08266 ++ {0.0} {} {} 29.16767 0.88415 1.71745 ++ {0.0} {} {} 121.12783 0.79953 1.49454 ++ {0.0} {} 0.0 0.3730 0 {} 0 0 0
64 {} 8.52779 0.03916 0.08076 ++ {0.0} {} {} 59.60847 1.09945 1.90150 ++ {0.0} {} {} 120.61177 0.78281 1.56634 ++ {0.0} {} 0.0 0.6597 0 {} 0 0 0
65 {} 8.67922 0.03459 0.07817 ++ {0.0} {} {} 58.79668 0.71975 1.71003 ++ {0.0} {} {} 120.76001 0.61182 1.54500 ++ {0.0} {} 0.0 0.8610 0 {} 0 0 0
66 {} 8.00203 0.02673 0.02134 ++ {0.0} {} {} 58.69710 0.21990 0.14718 ++ {0.0} {} {} 120.79457 0.08069 0.05401 ++ {0.0} {} 0.0 -0.0838 0 {} 0 0 0
67 {} 7.75595 0.03876 0.08545 ++ {0.0} {} {} 58.10989 1.01287 1.83488 ++ {0.0} {} {} 120.74973 0.60762 1.40146 ++ {0.0} {} 0.0 0.6882 0 {} 0 0 0
68 {} 8.67772 0.03372 0.01488 ++ {0.0} {} {} 57.40909 0.12953 0.02825 ++ {0.0} {} {} 120.79224 0.53748 0.11723 ++ {0.0} {} 0.0 -0.0626 0 {} 0 0 0
69 {} 8.15646 0.03586 0.11120 ++ {0.0} {} {} 56.45674 0.86941 1.96840 ++ {0.0} {} {} 120.57351 0.74669 1.72175 ++ {0.0} {} 0.0 2.4690 0 {} 0 0 0
70 {} 8.52067 0.04233 0.15051 ++ {0.0} {} {} 56.25071 0.75925 1.85070 ++ {0.0} {} {} 120.75533 0.64091 1.74122 ++ {0.0} {} 0.0 1.5667 0 {} 0 0 0
71 {} 8.52148 0.03780 0.03947 ++ {0.0} {} {} 54.89372 0.11896 0.12663 ++ {0.0} {} {} 120.70190 0.67826 0.72198 ++ {0.0} {} 0.0 -0.1192 0 {} 0 0 0
72 {} 8.16596 0.03647 0.04238 ++ {0.0} {} {} 54.95700 0.33121 0.48490 ++ {0.0} {} {} 120.67901 0.40702 0.59590 ++ {0.0} {} 0.0 -0.2080 0 {} 0 0 0
73 {} 8.26853 0.03430 0.09769 ++ {0.0} {} {} 54.56163 1.05442 1.58926 ++ {0.0} {} {} 120.74471 0.67198 1.83432 ++ {0.0} {} 0.0 3.6880 0 {} 0 0 0
74 {} 8.26625 0.03532 0.03703 ++ {0.0} {} {} 53.05000 0.62019 0.66779 ++ {0.0} {} {} 120.75025 0.68379 0.73628 ++ {0.0} {} 0.0 -0.1208 0 {} 0 0 0
75 {} 8.24737 0.04897 0.17190 ++ {0.0} {} {} 45.28316 0.74253 1.93911 ++ {0.0} {} {} 120.62064 0.79845 1.70053 ++ {0.0} {} 0.0 2.0635 0 {} 0 0 0
76 {} 8.26837 0.03538 0.03942 ++ {0.0} {} {} 42.77736 0.06581 0.07449 ++ {0.0} {} {} 120.77700 0.59777 0.67655 ++ {0.0} {} 0.0 -0.1284 0 {} 0 0 0
77 {} 8.26859 0.03370 0.09769 ++ {0.0} {} {} 41.41808 0.79034 1.97568 ++ {0.0} {} {} 120.74929 0.66111 1.81347 ++ {0.0} {} 0.0 3.1065 0 {} 0 0 0
78 {} 8.26781 0.03392 0.03510 ++ {0.0} {} {} 39.91745 0.11630 0.12091 ++ {0.0} {} {} 120.70700 0.69466 0.72225 ++ {0.0} {} 0.0 -0.1161 0 {} 0 0 0
79 {} 8.07741 0.03553 0.05644 ++ {0.0} {} {} 38.63840 0.99268 1.61287 ++ {0.0} {} {} 120.83427 0.58317 0.89248 ++ {0.0} {} 0.0 0.2374 0 {} 0 0 0
80 {} 8.52063 0.04257 0.10551 ++ {0.0} {} {} 31.20480 0.84352 1.20503 ++ {0.0} {} {} 120.74885 0.64533 1.63509 ++ {0.0} {} 0.0 0.8574 0 {} 0 0 0
81 {} 8.67927 0.03563 0.06964 ++ {0.0} {} {} 29.92459 0.81121 1.74811 ++ {0.0} {} {} 120.76163 0.60844 1.21967 ++ {0.0} {} 0.0 0.4485 0 {} 0 0 0
82 {} 7.75596 0.03932 0.06635 ++ {0.0} {} {} 29.99541 0.90621 1.58599 ++ {0.0} {} {} 120.74319 0.61160 0.97154 ++ {0.0} {} 0.0 0.2710 0 {} 0 0 0
83 {} 8.15682 0.03659 0.09874 ++ {0.0} {} {} 29.27335 0.87690 1.25271 ++ {0.0} {} {} 120.55803 0.73011 1.69377 ++ {0.0} {} 0.0 1.2745 0 {} 0 0 0
84 {} 8.10012 0.02452 0.01091 ++ {0.0} {} {} 59.28338 0.57333 0.19495 ++ {0.0} {} {} 120.12257 0.08447 0.02872 ++ {0.0} {} 0.0 -0.0672 0 {} 0 0 0
85 {} 8.16443 0.03934 0.07771 ++ {0.0} {} {} 58.74932 0.81978 1.88859 ++ {0.0} {} {} 120.24102 0.92396 1.86737 ++ {0.0} {} 0.0 0.5814 0 {} 0 0 0
86 {} 7.97249 0.03601 0.08873 ++ {0.0} {} {} 57.62365 1.00102 1.80621 ++ {0.0} {} {} 120.27674 0.62821 1.63946 ++ {0.0} {} 0.0 1.2325 0 {} 0 0 0
87 {} 7.97465 0.03588 0.02152 ++ {0.0} {} {} 56.34027 0.06476 0.03209 ++ {0.0} {} {} 120.19608 0.71873 0.35616 ++ {0.0} {} 0.0 -0.0741 0 {} 0 0 0
88 {} 7.85925 0.03822 0.01475 ++ {0.0} {} {} 56.33063 0.99721 0.23235 ++ {0.0} {} {} 120.32446 0.11798 0.02749 ++ {0.0} {} 0.0 -0.0631 0 {} 0 0 0
89 {} 8.20806 0.03225 0.11122 ++ {0.0} {} {} 54.51743 1.05760 1.86029 ++ {0.0} {} {} 120.07711 0.75906 1.80736 ++ {0.0} {} 0.0 3.7315 0 {} 0 0 0
90 {} 8.20783 0.03258 0.12104 ++ {0.0} {} {} 41.15968 1.07058 1.89241 ++ {0.0} {} {} 120.07146 0.75889 1.80522 ++ {0.0} {} 0.0 3.3483 0 {} 0 0 0
91 {} 8.39207 0.03676 0.05217 ++ {0.0} {} {} 36.17699 0.86053 1.33616 ++ {0.0} {} {} 120.31837 0.56995 0.82490 ++ {0.0} {} 0.0 0.2017 0 {} 0 0 0
92 {} 7.97429 0.03873 0.07727 ++ {0.0} {} {} 29.02245 1.20337 2.05138 ++ {0.0} {} {} 120.24393 0.74179 1.66949 ++ {0.0} {} 0.0 0.6505 0 {} 0 0 0
93 {} 7.69970 0.04136 0.06815 ++ {0.0} {} {} 64.91686 0.78850 1.44053 ++ {0.0} {} {} 119.83955 0.59410 0.95749 ++ {0.0} {} 0.0 0.2871 0 {} 0 0 0
94 {} 8.30440 0.05288 0.12781 ++ {0.0} {} {} 59.62858 1.05380 1.89577 ++ {0.0} {} {} 119.55306 0.62753 1.33221 ++ {0.0} {} 0.0 0.5210 0 {} 0 0 0
95 {} 7.88576 0.03653 0.06888 ++ {0.0} {} {} 59.57791 1.05406 1.78671 ++ {0.0} {} {} 119.48095 0.53481 0.94947 ++ {0.0} {} 0.0 0.4963 0 {} 0 0 0
96 {} 7.99824 0.03776 0.08859 ++ {0.0} {} {} 58.77239 0.79668 1.97039 ++ {0.0} {} {} 119.71146 0.79292 1.61049 ++ {0.0} {} 0.0 0.9691 0 {} 0 0 0
97 {} 8.35094 0.03802 0.10365 ++ {0.0} {} {} 56.86972 0.76586 2.04561 ++ {0.0} {} {} 119.82236 0.96782 2.31973 ++ {0.0} {} 0.0 1.6189 0 {} 0 0 0
98 {} 8.10954 0.03728 0.05695 ++ {0.0} {} {} 56.66573 0.98797 1.68434 ++ {0.0} {} {} 119.73656 0.90735 1.53794 ++ {0.0} {} 0.0 0.2873 0 {} 0 0 0
99 {} 8.34869 0.03541 0.03851 ++ {0.0} {} {} 55.45278 0.17994 0.20197 ++ {0.0} {} {} 119.85415 0.60193 0.67563 ++ {0.0} {} 0.0 -0.1271 0 {} 0 0 0
100 {} 7.69988 0.03812 0.03664 ++ {0.0} {} {} 38.07403 1.05466 1.00832 ++ {0.0} {} {} 119.85987 0.57153 0.54388 ++ {0.0} {} 0.0 0.1064 0 {} 0 0 0
101 {} 8.34759 0.04576 0.00038 ++ {0.0} {} {} 31.75191 0.09836 0.00102 ++ {0.0} {} {} 119.88331 0.58779 0.00610 ++ {0.0} {} 0.0 -0.0560 0 {} 0 0 0
102 {} 8.35117 0.03853 0.08693 ++ {0.0} {} {} 30.39677 0.76078 1.80749 ++ {0.0} {} {} 119.82972 0.62951 1.60629 ++ {0.0} {} 0.0 0.9286 0 {} 0 0 0
103 {} 7.88557 0.03655 0.05220 ++ {0.0} {} {} 29.08617 1.02963 1.46922 ++ {0.0} {} {} 119.48505 0.52744 0.77678 ++ {0.0} {} 0.0 0.2115 0 {} 0 0 0
104 {} 8.30552 0.04104 0.06377 ++ {0.0} {} {} 28.56715 1.15078 1.74684 ++ {0.0} {} {} 119.61431 0.68362 1.13654 ++ {0.0} {} 0.0 0.2516 0 {} 0 0 0
105 {} 8.27626 0.05268 0.09769 ++ {0.0} {} {} 59.24611 0.83561 1.76826 ++ {0.0} {} {} 119.25588 0.79217 1.49768 ++ {0.0} {} 0.0 0.4750 0 {} 0 0 0
106 {} 8.10095 0.03830 0.07574 ++ {0.0} {} {} 59.08772 1.05366 1.84934 ++ {0.0} {} {} 119.19058 0.76253 1.60657 ++ {0.0} {} 0.0 0.7087 0 {} 0 0 0
107 {} 8.20165 0.03532 0.08011 ++ {0.0} {} {} 58.63086 0.95823 1.86191 ++ {0.0} {} {} 119.10366 0.92316 1.94179 ++ {0.0} {} 0.0 0.6801 0 {} 0 0 0
108 {} 8.17787 0.03439 0.08169 ++ {0.0} {} {} 54.74752 0.75980 1.92372 ++ {0.0} {} {} 119.44262 0.60627 1.78997 ++ {0.0} {} 0.0 2.7911 0 {} 0 0 0
109 {} 8.17909 0.03683 0.04861 ++ {0.0} {} {} 53.39160 0.10598 0.14773 ++ {0.0} {} {} 119.38374 0.61415 0.85609 ++ {0.0} {} 0.0 -0.1840 0 {} 0 0 0
110 {} 8.19065 0.03895 0.01166 ++ {0.0} {} {} 46.45886 0.87689 0.30642 ++ {0.0} {} {} 119.39034 0.11620 0.04060 ++ {0.0} {} 0.0 -0.0676 0 {} 0 0 0
111 {} 8.17734 0.03409 0.02454 ++ {0.0} {} {} 42.70544 0.15652 0.09833 ++ {0.0} {} {} 119.42336 0.64001 0.40205 ++ {0.0} {} 0.0 -0.0813 0 {} 0 0 0
112 {} 8.17794 0.03438 0.08059 ++ {0.0} {} {} 41.16675 0.88963 1.89153 ++ {0.0} {} {} 119.43433 0.61304 1.82172 ++ {0.0} {} 0.0 2.7924 0 {} 0 0 0
113 {} 8.17793 0.03291 0.02477 ++ {0.0} {} {} 39.85823 0.03997 0.02660 ++ {0.0} {} {} 119.41207 0.60965 0.40571 ++ {0.0} {} 0.0 -0.0836 0 {} 0 0 0
114 {} 7.85690 0.03801 0.05854 ++ {0.0} {} {} 36.75297 0.75083 1.28366 ++ {0.0} {} {} 119.23182 0.75568 1.25947 ++ {0.0} {} 0.0 0.2635 0 {} 0 0 0
115 {} 8.10201 0.03861 0.06547 ++ {0.0} {} {} 29.99796 0.94561 1.72070 ++ {0.0} {} {} 119.28282 0.87835 1.55792 ++ {0.0} {} 0.0 0.3426 0 {} 0 0 0
116 {} 8.27275 0.05179 0.08959 ++ {0.0} {} {} 29.38082 0.73217 1.08273 ++ {0.0} {} {} 119.24429 0.82896 1.25703 ++ {0.0} {} 0.0 0.2139 0 {} 0 0 0
117 {} 8.20183 0.03454 0.06555 ++ {0.0} {} {} 29.39747 0.77831 1.43788 ++ {0.0} {} {} 119.09283 0.64342 1.19949 ++ {0.0} {} 0.0 0.2971 0 {} 0 0 0
118 {} 8.51925 0.03595 0.01660 ++ {0.0} {} {} 65.29121 0.29615 0.10137 ++ {0.0} {} {} 118.91554 0.11437 0.03914 ++ {0.0} {} 0.0 -0.0673 0 {} 0 0 0
119 {} 8.41556 0.03809 0.07173 ++ {0.0} {} {} 60.15615 0.91147 1.81679 ++ {0.0} {} {} 118.77752 0.76427 1.50591 ++ {0.0} {} 0.0 0.5359 0 {} 0 0 0
120 {} 7.99248 0.02809 0.00488 ++ {0.0} {} {} 58.75840 0.57668 0.07692 ++ {0.0} {} {} 118.60131 0.07869 0.01050 ++ {0.0} {} 0.0 -0.0597 0 {} 0 0 0
121 {} 7.63292 0.04020 0.02281 ++ {0.0} {} {} 58.47581 0.91735 0.43761 ++ {0.0} {} {} 118.90831 0.15187 0.07245 ++ {0.0} {} 0.0 -0.0732 0 {} 0 0 0
122 {} 8.32498 0.03206 0.06252 ++ {0.0} {} {} 40.61264 1.01988 1.81380 ++ {0.0} {} {} 118.93445 0.59878 1.35714 ++ {0.0} {} 0.0 0.6144 0 {} 0 0 0
123 {} 8.41588 0.03753 0.06206 ++ {0.0} {} {} 37.70179 0.83133 1.51631 ++ {0.0} {} {} 118.77823 0.76659 1.28764 ++ {0.0} {} 0.0 0.2930 0 {} 0 0 0
124 {} 8.15734 0.03752 0.07341 ++ {0.0} {} {} 59.69138 0.79171 1.60329 ++ {0.0} {} {} 118.39336 0.78811 1.52740 ++ {0.0} {} 0.0 0.4723 0 {} 0 0 0
125 {} 8.04957 0.03877 0.07375 ++ {0.0} {} {} 59.10582 1.03045 1.78434 ++ {0.0} {} {} 118.10123 0.50890 0.90242 ++ {0.0} {} 0.0 0.4918 0 {} 0 0 0
126 {} 7.86776 0.03971 0.08632 ++ {0.0} {} {} 57.57246 1.04125 1.81693 ++ {0.0} {} {} 118.45098 0.60452 1.41710 ++ {0.0} {} 0.0 0.6589 0 {} 0 0 0
127 {} 8.19066 0.05058 0.11183 ++ {0.0} {} {} 46.43492 0.80865 1.85923 ++ {0.0} {} {} 118.27813 0.76532 1.55452 ++ {0.0} {} 0.0 0.6824 0 {} 0 0 0
128 {} 7.86797 0.03956 0.06457 ++ {0.0} {} {} 41.43866 0.79072 1.44133 ++ {0.0} {} {} 118.44661 0.60025 0.97119 ++ {0.0} {} 0.0 0.2919 0 {} 0 0 0
129 {} 8.15836 0.03729 0.05450 ++ {0.0} {} {} 30.06376 1.07330 1.51797 ++ {0.0} {} {} 118.41444 0.67415 0.98611 ++ {0.0} {} 0.0 0.2075 0 {} 0 0 0
130 {} 8.04908 0.03829 0.05858 ++ {0.0} {} {} 28.25695 0.78715 1.29741 ++ {0.0} {} {} 118.11059 0.54779 0.83072 ++ {0.0} {} 0.0 0.2306 0 {} 0 0 0
131 {} 8.51652 0.03763 0.10561 ++ {0.0} {} {} 65.12689 0.96787 1.84998 ++ {0.0} {} {} 117.80510 0.74121 1.56586 ++ {0.0} {} 0.0 0.7415 0 {} 0 0 0
132 {} 7.62853 0.04023 0.08795 ++ {0.0} {} {} 58.46558 0.86900 1.86811 ++ {0.0} {} {} 117.80053 0.71671 1.49546 ++ {0.0} {} 0.0 0.5946 0 {} 0 0 0
133 {} 7.66778 0.03912 0.07427 ++ {0.0} {} {} 57.00974 0.98232 1.40332 ++ {0.0} {} {} 117.89091 0.72411 1.54105 ++ {0.0} {} 0.0 0.6090 0 {} 0 0 0
134 {} 8.51698 0.03828 0.06736 ++ {0.0} {} {} 32.90790 0.79089 1.46576 ++ {0.0} {} {} 117.79729 0.72422 1.31247 ++ {0.0} {} 0.0 0.2980 0 {} 0 0 0
135 {} 7.66423 0.05093 0.09741 ++ {0.0} {} {} 30.57625 1.05149 1.68409 ++ {0.0} {} {} 117.87781 0.75734 1.40327 ++ {0.0} {} 0.0 0.3463 0 {} 0 0 0
136 {} 8.40414 0.03689 0.07387 ++ {0.0} {} {} 61.45898 0.82489 1.69538 ++ {0.0} {} {} 116.72884 0.54117 0.95088 ++ {0.0} {} 0.0 0.4590 0 {} 0 0 0
137 {} 8.39676 0.05529 0.07143 ++ {0.0} {} {} 56.66985 0.89188 1.17673 ++ {0.0} {} {} 116.83777 0.66908 0.86554 ++ {0.0} {} 0.0 0.1578 0 {} 0 0 0
138 {} 8.40410 0.03746 0.05618 ++ {0.0} {} {} 37.49594 0.93291 1.50935 ++ {0.0} {} {} 116.74485 0.53490 0.80458 ++ {0.0} {} 0.0 0.2249 0 {} 0 0 0
139 {} 8.39415 0.05355 0.03150 ++ {0.0} {} {} 30.82234 0.82234 0.35114 ++ {0.0} {} {} 116.84788 0.69018 0.29470 ++ {0.0} {} 0.0 0.0709 0 {} 0 0 0
140 {} 8.21634 0.04084 0.03016 ++ {0.0} {} {} 57.86555 0.74545 0.53524 ++ {0.0} {} {} 116.58619 0.15867 0.11393 ++ {0.0} {} 0.0 -0.0870 0 {} 0 0 0
141 {} 8.21537 0.03847 0.10434 ++ {0.0} {} {} 57.85524 0.75025 1.89828 ++ {0.0} {} {} 115.45672 0.66898 1.53550 ++ {0.0} {} 0.0 0.8462 0 {} 0 0 0
142 {} 8.21493 0.03870 0.08041 ++ {0.0} {} {} 30.51416 0.97181 1.79981 ++ {0.0} {} {} 115.45419 0.66170 1.35381 ++ {0.0} {} 0.0 0.4678 0 {} 0 0 0
143 {} 7.73093 0.02725 0.02813 ++ {0.0} {} {} 51.30603 0.74171 0.76908 ++ {0.0} {} {} 113.34560 0.75197 0.77972 ++ {0.0} {} 0.0 0.1158 0 {} 0 0 0
144 {} 6.96093 0.03198 0.02350 ++ {0.0} {} {} 51.24766 0.78529 0.50801 ++ {0.0} {} {} 113.25367 0.89665 0.58004 ++ {0.0} {} 0.0 0.0824 0 {} 0 0 0
145 {} 7.73054 0.02409 0.03451 ++ {0.0} {} {} 39.08290 1.05800 1.47449 ++ {0.0} {} {} 113.32618 0.72704 1.08439 ++ {0.0} {} 0.0 0.2029 0 {} 0 0 0
146 {} 6.96111 0.03276 0.03771 ++ {0.0} {} {} 39.09052 1.03061 1.23479 ++ {0.0} {} {} 113.24382 0.96683 1.16130 ++ {0.0} {} 0.0 0.1429 0 {} 0 0 0
147 {} 7.54279 0.01925 0.00245 ++ {0.0} {} {} 34.04662 1.09734 0.04103 ++ {0.0} {} {} 113.29605 0.31782 0.01179 ++ {0.0} {} 0.0 -0.0568 0 {} 0 0 0
148 {} 6.86170 0.03912 0.03489 ++ {0.0} {} {} 33.91511 0.84835 0.75660 ++ {0.0} {} {} 113.10455 0.74671 0.66596 ++ {0.0} {} 0.0 -0.1006 0 {} 0 0 0
149 {} 7.57869 0.01868 0.04330 ++ {0.0} {} {} 29.30666 0.94217 1.01427 ++ {0.0} {} {} 112.11584 0.71956 0.77462 ++ {0.0} {} 0.0 0.1207 0 {} 0 0 0
150 {} 8.56389 0.03491 0.01611 ++ {0.0} {} {} 56.48214 0.90204 0.36354 ++ {0.0} {} {} 111.94274 0.17678 0.07125 ++ {0.0} {} 0.0 -0.0698 0 {} 0 0 0
151 {} 7.57129 0.04918 0.11272 ++ {0.0} {} {} 34.06501 1.20152 1.91657 ++ {0.0} {} {} 111.99689 0.80394 1.63133 ++ {0.0} {} 0.0 0.4303 0 {} 0 0 0
152 {} 7.47936 0.03669 0.06081 ++ {0.0} {} {} 34.06846 1.07384 1.71727 ++ {0.0} {} {} 111.75233 0.89079 1.60550 ++ {0.0} {} 0.0 0.3499 0 {} 0 0 0
153 {} 6.86901 0.04896 0.09760 ++ {0.0} {} {} 33.93198 0.86825 1.85335 ++ {0.0} {} {} 111.82246 1.16759 1.72328 ++ {0.0} {} 0.0 0.4759 0 {} 0 0 0
154 {} 7.05141 0.02902 0.03199 ++ {0.0} {} {} 33.66182 0.91321 1.01581 ++ {0.0} {} {} 111.98685 0.66988 0.74514 ++ {0.0} {} 0.0 0.1256 0 {} 0 0 0
155 {} 6.67520 0.02889 0.02380 ++ {0.0} {} {} 33.60122 1.02016 0.77140 ++ {0.0} {} {} 111.93529 0.73009 0.54945 ++ {0.0} {} 0.0 0.0894 0 {} 0 0 0
156 {} 7.54163 0.01977 0.04314 ++ {0.0} {} {} 29.05504 1.40138 1.38876 ++ {0.0} {} {} 111.99250 0.77610 0.76648 ++ {0.0} {} 0.0 0.1101 0 {} 0 0 0
157 {} 6.86406 0.04660 0.05470 ++ {0.0} {} {} 29.22280 0.99244 1.33686 ++ {0.0} {} {} 111.91763 0.81803 1.01408 ++ {0.0} {} 0.0 0.1466 0 {} 0 0 0
158 {} 7.48093 0.03298 0.00396 ++ {0.0} {} {} 28.56211 0.66198 0.16927 ++ {0.0} {} {} 111.78618 0.89010 0.07829 ++ {0.0} {} 0.0 0.0583 0 {} 0 0 0
159 {} 7.63230 0.03057 0.03807 ++ {0.0} {} {} 34.02111 0.96061 1.29125 ++ {0.0} {} {} 111.56323 0.68592 0.89780 ++ {0.0} {} 0.0 0.1613 0 {} 0 0 0
160 {} 6.81136 0.01657 0.03661 ++ {0.0} {} {} 34.01625 1.01283 1.02070 ++ {0.0} {} {} 111.31699 0.80511 0.81137 ++ {0.0} {} 0.0 0.1124 0 {} 0 0 0
161 {} 7.63379 0.02562 0.00011 ++ {0.0} {} {} 28.21434 0.86530 0.00259 ++ {0.0} {} {} 111.49483 0.77991 0.00234 ++ {0.0} {} 0.0 0.0558 0 {} 0 0 0
162 {} 8.56110 0.05555 0.16541 ++ {0.0} {} {} 56.48640 0.91076 1.89963 ++ {0.0} {} {} 110.77746 0.61245 1.40065 ++ {0.0} {} 0.0 0.7781 0 {} 0 0 0
163 {} 7.37629 0.02922 0.04403 ++ {0.0} {} {} 34.44634 0.81669 1.32622 ++ {0.0} {} {} 110.83625 0.87295 1.38082 ++ {0.0} {} 0.0 0.2250 0 {} 0 0 0
164 {} 6.76454 0.02933 0.03094 ++ {0.0} {} {} 34.46375 0.91312 0.97362 ++ {0.0} {} {} 110.68301 0.65868 0.70233 ++ {0.0} {} 0.0 0.1194 0 {} 0 0 0
165 {} 8.55977 0.05784 0.12074 ++ {0.0} {} {} 30.62245 0.99582 1.74653 ++ {0.0} {} {} 110.78495 0.60121 1.07912 ++ {0.0} {} 0.0 0.4034 0 {} 0 0 0
166 {} 7.37633 0.02758 0.01739 ++ {0.0} {} {} 28.99129 1.02600 0.54752 ++ {0.0} {} {} 110.80297 0.77395 0.41301 ++ {0.0} {} 0.0 0.0760 0 {} 0 0 0
167 {} 7.85866 0.03216 0.02937 ++ {0.0} {} {} 34.06343 1.03706 0.92386 ++ {0.0} {} {} 110.63846 0.65044 0.57517 ++ {0.0} {} 0.0 0.0999 0 {} 0 0 0
168 {} 6.67570 0.03299 0.03379 ++ {0.0} {} {} 33.84074 0.81435 0.84309 ++ {0.0} {} {} 110.43285 0.97666 1.01514 ++ {0.0} {} 0.0 0.1156 0 {} 0 0 0
169 {} 8.42832 0.05272 0.10523 ++ {0.0} {} {} 55.51725 0.98575 1.70248 ++ {0.0} {} {} 109.46095 0.69222 1.29308 ++ {0.0} {} 0.0 0.3374 0 {} 0 0 0
170 {} 8.42435 0.05586 0.07988 ++ {0.0} {} {} 29.79095 0.75484 1.04704 ++ {0.0} {} {} 109.47905 0.79961 1.16336 ++ {0.0} {} 0.0 0.1819 0 {} 0 0 0
171 {} 8.08919 0.07587 0.07488 ++ {0.0} {} {} 56.96281 0.82123 0.80937 ++ {0.0} {} {} 107.52036 0.61680 0.60790 ++ {0.0} {} 0.0 0.1099 0 {} 0 0 0
172 {} 8.10134 0.08049 0.01529 ++ {0.0} {} {} 29.10848 1.10458 0.08742 ++ {0.0} {} {} 107.54398 0.65999 0.05224 ++ {0.0} {} 0.0 0.0580 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 . . 3903.76223633 Hz . . . 4.77299976349 . . 30870 9
2 . . C 13 C-aliphatic . . 10553.9335937 Hz . . . 35.0649986267 . . 30870 9
stop_
save_