Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 30408
_Spectral_peak_list.ID 1
_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.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY'
_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
;
0 {13.HN} 8.14248 0.03141 0.04468 ++ {0.0} {} {13.HA} 3.95168 0.08866 0.18902 ++ {0.0} {} 0.0 3.2559 0 {} 0
1 {5.HN} 8.28385 0.03011 0.04983 ++ {0.0} {} {5.HA} 4.56031 0.08386 0.07116 ++ {0.0} {} 0.0 4.1837 0 {} 0
2 {9.HN} 7.82547 0.03518 0.05403 ++ {0.0} {} {9.HA} 4.00349 0.04494 0.13314 ++ {0.0} {} 0.0 1.9641 0 {} 0
3 {18.HN} 8.19641 0.02965 0.06445 ++ {0.0} {} {18.HA} 4.58483 0.10073 0.22978 ++ {0.0} {} 0.0 31.5997 0 {} 0
4 {11.HN} 8.12170 0.03903 0.05210 ++ {0.0} {} {11.HA} 3.98762 0.09464 0.21611 ++ {0.0} {} 0.0 7.5589 0 {} 0
5 {4.HN} 8.35502 0.03903 0.05268 ++ {0.0} {} {4.HA} 4.13066 0.09464 0.15468 ++ {0.0} {} 0.0 7.5589 0 {} 0
6 {6.HN} 8.09459 0.02888 0.05752 ++ {0.0} {} {6.HA} 4.00807 0.09326 0.19195 ++ {0.0} {} 0.0 6.8212 0 {} 0
7 {7.HN} 8.01837 0.03383 0.05809 ++ {0.0} {} {7.HA} 4.07071 0.06199 0.15558 ++ {0.0} {} 0.0 4.7950 0 {} 0
8 {2.HN} 7.75253 0.03089 0.04633 ++ {0.0} {} {2.HA} 4.37817 0.08976 0.22664 ++ {0.0} {} 0.0 6.6435 0 {} 0
9 {19.HN} 7.82839 0.02910 0.04974 ++ {0.0} {} {19.HA} 4.19191 0.05927 0.13089 ++ {0.0} {} 0.0 8.5993 0 {} 0
10 {3.HN} 7.82420 0.03716 0.07688 ++ {0.0} {} {3.HA} 4.23309 0.06693 0.16210 ++ {0.0} {} 0.0 58.9613 0 {} 0
11 {10.HN} 7.72853 0.03501 0.07181 ++ {0.0} {} {10.HA} 4.04280 0.07933 0.17427 ++ {0.0} {} 0.0 9.4811 0 {} 0
12 {1.HN} 7.75288 0.02646 0.05139 ++ {0.0} {} {1.HA} 4.40363 0.07823 0.14948 ++ {0.0} {} 0.0 5.0279 0 {} 0
13 {8.HN} 7.91548 0.02788 0.05197 ++ {0.0} {} {8.HA} 3.99084 0.07696 0.17159 ++ {0.0} {} 0.0 4.4939 0 {} 0
14 {14.HN} 7.66615 0.02935 0.05876 ++ {0.0} {} {14.HA} 4.19213 0.07904 0.19390 ++ {0.0} {} 0.0 9.2981 0 {} 0
15 {17.HN} 7.61415 0.03224 0.05887 ++ {0.0} {} {17.HA} 4.32336 0.09765 0.20755 ++ {0.0} {} 0.0 9.2277 0 {} 0
16 {16.HN} 7.55967 0.03821 0.06747 ++ {0.0} {} {16.HA} 4.06023 0.06894 0.15766 ++ {0.0} {} 0.0 14.3130 0 {} 0
17 {} 7.55925 0.03821 0.05625 ++ {0.0} {} {} 4.03301 0.06894 0.11812 ++ {0.0} {} 0.0 14.3130 -1 {} 0
18 {2.HG1} 2.95644 0.07450 0.06561 ++ {0.0} {} {2.HA} 4.05148 0.15229 0.18172 ++ {0.0} {} 0.0 17.5320 -1 {} 0
19 {2.HN} 7.82854 0.02186 0.02944 ++ {0.0} {} {2.HG1} 2.94889 0.07735 0.10887 ++ {0.0} {} 0.0 5.1632 -1 {} 0
20 {15.HN} 7.81521 0.03089 0.05872 ++ {0.0} {} {15.HA} 3.95294 0.12345 0.18775 ++ {0.0} {} 0.0 6.6435 0 {} 0
21 {5.HN} 8.27837 0.02966 0.03324 ++ {0.0} {} {5.HB2} 2.80495 0.12401 0.14856 ++ {0.0} {} 0.0 2.2749 0 {} 0
22 {5.HB1} 2.84352 0.06865 0.08119 ++ {0.0} {} {5.HA} 4.56852 0.08550 0.11812 ++ {0.0} {} 0.0 3.1662 0 {} 0
23 {5.HB2} 2.81729 0.06865 0.08119 ++ {0.0} {} {5.HA} 4.56852 0.08550 0.11812 ++ {0.0} {} 0.0 3.1662 0 {} 0
24 {18.HN} 8.19617 0.03710 0.06251 ++ {0.0} {} {18.HB1} 3.20032 0.10800 0.23153 ++ {0.0} {} 0.0 19.9183 0 {} 0
25 {18.HN} 8.19644 0.02970 0.05805 ++ {0.0} {} {18.HB2} 2.99778 0.07480 0.18775 ++ {0.0} {} 0.0 22.9021 0 {} 0
26 {18.HB1} 3.20514 0.02661 0.06194 ++ {0.0} {} {18.HA} 4.59041 0.09239 0.24648 ++ {0.0} {} 0.0 19.1358 0 {} 0
27 {18.HB2} 3.00407 0.04422 0.07359 ++ {0.0} {} {18.HA} 4.57402 0.09938 0.21820 ++ {0.0} {} 0.0 14.9254 0 {} 0
28 {16.HN} 7.55745 0.04257 0.05848 ++ {0.0} {} {16.HB} 1.92222 0.06996 0.11353 ++ {0.0} {} 0.0 4.1539 0 {} 0
29 {16.HN} 7.55594 0.01333 0.01904 ++ {0.0} {} {16.HG12} 1.21057 0.08427 0.13097 ++ {0.0} {} 0.0 1.1486 0 {} 0
30 {16.HN} 7.55729 0.03525 0.05950 ++ {0.0} {} {16.HD11} 0.79318 0.06840 0.12512 ++ {0.0} {} 0.0 9.1777 0 {} 0
31 {6.HB2} 1.90144 0.06854 0.08041 ++ {0.0} {} {6.HA} 4.06267 0.14549 0.24633 ++ {0.0} {} 0.0 17.1043 0 {} 0
32 {} 2.93977 0.07450 0.09238 ++ {0.0} {} {} 4.01299 0.15229 0.23507 ++ {0.0} {} 0.0 17.5320 0 {} 0
33 {16.HN} 7.55936 0.03525 0.05950 ++ {0.0} {} {16.HG21} 0.79318 0.06840 0.12512 ++ {0.0} {} 0.0 9.1777 -1 {} 0
34 {16.HG21} 0.79015 0.03605 0.04550 ++ {0.0} {} {16.HA} 4.03285 0.07062 0.17020 ++ {0.0} {} 0.0 27.1879 0 {} 0
35 {16.HD11} 0.80587 0.03605 0.05103 ++ {0.0} {} {16.HA} 4.03267 0.07062 0.16946 ++ {0.0} {} 0.0 27.1879 0 {} 0
36 {16.HG12} 1.19187 0.01170 0.01501 ++ {0.0} {} {16.HA} 4.05216 0.06560 0.09800 ++ {0.0} {} 0.0 6.0457 0 {} 0
37 {2.HG2} 2.61172 0.03593 0.06069 ++ {0.0} {} {2.HA} 4.38302 0.08656 0.19951 ++ {0.0} {} 0.0 23.9830 0 {} 0
38 {1.HB2} 2.46185 0.04311 0.05205 ++ {0.0} {} {1.HA} 4.40364 0.06723 0.08268 ++ {0.0} {} 0.0 6.2075 0 {} 0
39 {1.HG2} 2.02836 0.06052 0.11807 ++ {0.0} {} {1.HA} 4.39591 0.07953 0.19035 ++ {0.0} {} 0.0 28.3391 0 {} 0
40 {1.HG1} 2.07409 0.06052 0.11807 ++ {0.0} {} {1.HA} 4.40999 0.07953 0.19035 ++ {0.0} {} 0.0 28.3391 0 {} 0
41 {1.HD1} 3.36443 0.03477 0.05360 ++ {0.0} {} {1.HA} 4.40366 0.06871 0.11272 ++ {0.0} {} 0.0 13.2945 0 {} 0
42 {17.HN} 7.61184 0.03229 0.09891 ++ {0.0} {} {17.HB1} 1.30273 0.09974 0.23283 ++ {0.0} {} 0.0 49.1973 0 {} 0
43 {3.HN} 7.83216 0.03744 0.06251 ++ {0.0} {} {3.HB1} 1.32998 0.08137 0.22217 ++ {0.0} {} 0.0 25.8527 0 {} 0
44 {17.HB1} 1.32601 0.02943 0.05280 ++ {0.0} {} {17.HA} 4.32257 0.10249 0.23277 ++ {0.0} {} 0.0 92.0924 0 {} 0
45 {3.HB1} 1.42261 0.03389 0.08255 ++ {0.0} {} {3.HA} 4.23722 0.07119 0.20899 ++ {0.0} {} 0.0 17.1318 0 {} 0
46 {4.HD2} 3.17716 0.05132 0.07675 ++ {0.0} {} {4.HB2} 1.87893 0.08156 0.21318 ++ {0.0} {} 0.0 10.2106 0 {} 0
47 {4.HD1} 3.17258 0.04707 0.07174 ++ {0.0} {} {4.HG1} 1.72140 0.13143 0.18775 ++ {0.0} {} 0.0 10.5649 0 {} 0
48 {} 3.18169 0.04038 0.06243 ++ {0.0} {} {} 1.58651 0.13143 0.18775 ++ {0.0} {} 0.0 10.4495 0 {} 0
49 {13.HD2} 3.15586 0.05862 0.07061 ++ {0.0} {} {13.HB1} 2.00280 0.13143 0.18667 ++ {0.0} {} 0.0 43.4920 0 {} 0
50 {13.HD2} 3.15587 0.05862 0.07059 ++ {0.0} {} {13.HB2} 1.88956 0.13143 0.17474 ++ {0.0} {} 0.0 43.4920 0 {} 0
51 {4.HD1} 3.14230 0.05862 0.07059 ++ {0.0} {} {4.HG1} 1.72865 0.13143 0.13898 ++ {0.0} {} 0.0 43.4920 0 {} 0
52 {13.HD2} 3.15788 0.04960 0.06081 ++ {0.0} {} {13.HA} 3.93516 0.07515 0.10455 ++ {0.0} {} 0.0 5.0261 0 {} 0
53 {4.HD1} 3.18601 0.03048 0.06315 ++ {0.0} {} {4.HA} 4.14281 0.05986 0.18549 ++ {0.0} {} 0.0 3.6057 0 {} 0
54 {4.HN} 8.35447 0.04009 0.05757 ++ {0.0} {} {4.HD1} 2.85611 0.06769 0.13348 ++ {0.0} {} 0.0 2.7741 0 {} 0
55 {} 7.83023 0.02171 0.02159 ++ {0.0} {} {} 3.23677 0.11362 0.11257 ++ {0.0} {} 0.0 -0.9935 -1 {} 0
56 {4.HN} 8.35618 0.00846 0.05453 ++ {0.0} {} {4.HB1} 1.82109 0.08587 0.30370 ++ {0.0} {} 0.0 0.8086 0 {} 0
57 {13.HN} 8.14075 0.01796 0.01791 ++ {0.0} {} {13.HD1} 3.12517 0.10433 0.10397 ++ {0.0} {} 0.0 0.7993 0 {} 0
58 {13.HN} 8.14137 0.02070 0.02478 ++ {0.0} {} {13.HB2} 1.89939 0.20030 0.14447 ++ {0.0} {} 0.0 0.7687 0 {} 0
59 {13.HN} 8.14252 0.02070 0.02019 ++ {0.0} {} {13.HB1} 1.96038 0.20030 0.11617 ++ {0.0} {} 0.0 0.7687 0 {} 0
60 {16.HN} 7.55617 0.03318 0.02795 ++ {0.0} {} {16.HG11} 1.51930 0.06962 0.07595 ++ {0.0} {} 0.0 11.9131 0 {} 0
61 {11.HN} 8.12411 0.02788 0.04945 ++ {0.0} {} {11.HE1} 2.90884 0.07696 0.15260 ++ {0.0} {} 0.0 4.4939 0 {} 0
62 {5.HD21} 9.01813 0.01960 0.02391 ++ {0.0} {} {5.HD22} 8.20981 0.08403 0.10268 ++ {0.0} {} 0.0 0.8247 0 {} 0
63 {10.HN} 7.72457 0.03112 0.03380 ++ {0.0} {} {10.HB1} 1.99456 0.09550 0.10848 ++ {0.0} {} 0.0 2.2660 0 {} 0
64 {11.HN} 8.12466 0.00675 0.02217 ++ {0.0} {} {11.HB2} 1.79526 0.11175 0.21801 ++ {0.0} {} 0.0 0.9751 0 {} 0
65 {7.HN} 8.01945 0.02788 0.02547 ++ {0.0} {} {7.HB1} 1.81109 0.09147 0.14788 ++ {0.0} {} 0.0 1.4653 0 {} 0
66 {6.HN} 8.09660 0.00945 0.02891 ++ {0.0} {} {6.HB2} 1.87248 0.06563 0.09376 ++ {0.0} {} 0.0 1.1093 0 {} 0
67 {8.HN} 7.91351 0.02324 0.02203 ++ {0.0} {} {8.HG} 1.78331 0.05753 0.11679 ++ {0.0} {} 0.0 1.2408 0 {} 0
68 {14.HN} 7.66688 0.03754 0.06688 ++ {0.0} {} {14.HG} 1.81329 0.09147 0.15024 ++ {0.0} {} 0.0 3.1537 0 {} 0
69 {14.HN} 7.65421 0.02186 0.02337 ++ {0.0} {} {14.HB2} 1.57617 0.06202 0.12153 ++ {0.0} {} 0.0 1.1745 0 {} 0
70 {10.HN} 7.72742 0.00784 0.02014 ++ {0.0} {} {10.HD2} 1.63865 0.08103 0.08315 ++ {0.0} {} 0.0 0.8579 0 {} 0
71 {10.HN} 7.72934 0.00433 0.01802 ++ {0.0} {} {10.HG2} 1.44025 0.07696 0.05320 ++ {0.0} {} 0.0 0.8241 0 {} 0
72 {1.HB2} 2.46094 0.03750 0.08599 ++ {0.0} {} {1.HD2} 3.36929 0.07172 0.11947 ++ {0.0} {} 0.0 14.3011 0 {} 0
73 {1.HG2} 2.02300 0.05632 0.12765 ++ {0.0} {} {1.HD2} 3.36952 0.07334 0.21255 ++ {0.0} {} 0.0 53.9202 0 {} 0
74 {4.HB2} 1.85187 0.05099 0.07284 ++ {0.0} {} {4.HA} 4.12417 0.11116 0.09743 ++ {0.0} {} 0.0 4.2553 0 {} 0
75 {10.HB2} 1.99882 0.00821 0.01173 ++ {0.0} {} {10.HE2} 2.90965 0.06629 0.04534 ++ {0.0} {} 0.0 3.6327 0 {} 0
76 {11.HB2} 1.89986 0.07133 0.14472 ++ {0.0} {} {11.HE2} 2.94163 0.09203 0.21600 ++ {0.0} {} 0.0 27.7686 0 {} 0
77 {4.HB2} 1.86207 0.06197 0.08630 ++ {0.0} {} {4.HD2} 3.18469 0.08125 0.12027 ++ {0.0} {} 0.0 9.1968 0 {} 0
78 {} 1.78270 0.03012 0.04303 ++ {0.0} {} {} 2.95226 0.11796 0.22003 ++ {0.0} {} 0.0 24.3968 0 {} 0
79 {7.HD2} 1.67382 0.08945 0.20731 ++ {0.0} {} {7.HE2} 2.94188 0.09696 0.24522 ++ {0.0} {} 0.0 182.5345 0 {} 0
80 {19.HG1} 1.55040 0.07393 0.10561 ++ {0.0} {} {19.HE1} 2.94002 0.09287 0.22329 ++ {0.0} {} 0.0 45.8317 0 {} 0
81 {7.HG1} 1.41851 0.05202 0.07432 ++ {0.0} {} {7.HE1} 2.94505 0.09138 0.21536 ++ {0.0} {} 0.0 33.2549 0 {} 0
82 {7.HG1} 1.34441 0.05224 0.10268 ++ {0.0} {} {7.HE1} 2.95228 0.07775 0.20685 ++ {0.0} {} 0.0 71.3699 0 {} 0
83 {4.HG1} 1.72239 0.05067 0.10454 ++ {0.0} {} {4.HD1} 3.15285 0.08121 0.10902 ++ {0.0} {} 0.0 7.2708 0 {} 0
84 {4.HG1} 1.71357 0.12703 0.13412 ++ {0.0} {} {4.HD1} 3.19780 0.06152 0.09467 ++ {0.0} {} 0.0 10.3675 0 {} 0
85 {2.HE1} 2.08916 0.05067 0.06567 ++ {0.0} {} {2.HA} 4.37892 0.08121 0.10902 ++ {0.0} {} 0.0 7.2708 0 {} 0
86 {13.HB2} 1.90580 0.05466 0.08996 ++ {0.0} {} {13.HA} 3.93856 0.19032 0.30626 ++ {0.0} {} 0.0 15.5378 0 {} 0
87 {4.HG2} 1.67862 0.08317 0.14472 ++ {0.0} {} {4.HA} 4.12251 0.20651 0.37280 ++ {0.0} {} 0.0 23.5347 0 {} 0
88 {7.HG2} 1.46095 0.07940 0.03834 ++ {0.0} {} {7.HA} 4.05610 0.16645 0.12139 ++ {0.0} {} 0.0 6.1868 0 {} 0
89 {4.HB2} 1.88262 0.07030 0.07787 ++ {0.0} {} {4.HA} 4.12488 0.16638 0.17463 ++ {0.0} {} 0.0 5.2722 0 {} 0
90 {} 1.13322 0.01999 0.02985 ++ {0.0} {} {} 3.61960 0.07065 0.11936 ++ {0.0} {} 0.0 15.3934 0 {} 0
91 {} 1.16133 0.01670 0.02381 ++ {0.0} {} {} 3.61819 0.07197 0.11807 ++ {0.0} {} 0.0 13.3004 0 {} 0
92 {12.HD21} 0.90670 0.01369 0.01956 ++ {0.0} {} {12.HA} 4.07627 0.08824 0.08861 ++ {0.0} {} 0.0 4.8010 0 {} 0
93 {} 1.21322 0.02180 0.02647 ++ {0.0} {} {} 3.83108 0.15707 0.18904 ++ {0.0} {} 0.0 7.0857 0 {} 0
94 {16.HG11} 1.34634 0.01170 0.07017 ++ {0.0} {} {16.HA} 4.07245 0.06560 0.17807 ++ {0.0} {} 0.0 6.0457 0 {} 0
95 {12.HD11} 0.95996 0.02261 0.02476 ++ {0.0} {} {12.HA} 4.07181 0.10259 0.11418 ++ {0.0} {} 0.0 5.3894 0 {} 0
96 {9.HD12} 0.85186 0.03859 0.04495 ++ {0.0} {} {9.HA} 4.01116 0.10874 0.09964 ++ {0.0} {} 0.0 9.0545 0 {} 0
97 {.HD21} 0.89488 0.02464 0.03520 ++ {0.0} {} {.HA} 4.01538 0.08870 0.11215 ++ {0.0} {} 0.0 6.4994 0 {} 0
98 {14.HD11} 0.91398 0.03859 0.04197 ++ {0.0} {} {14.HA} 4.18745 0.10874 0.09115 ++ {0.0} {} 0.0 9.0545 0 {} 0
99 {8.HD11} 0.93698 0.03012 0.04303 ++ {0.0} {} {8.HA} 3.98985 0.08340 0.06807 ++ {0.0} {} 0.0 4.0385 0 {} 0
100 {8.HD21} 0.88957 0.03859 0.04221 ++ {0.0} {} {8.HA} 3.98943 0.10874 0.09718 ++ {0.0} {} 0.0 9.0545 0 {} 0
101 {14.HD21} 0.87883 0.02279 0.02632 ++ {0.0} {} {14.HA} 4.18688 0.07773 0.06775 ++ {0.0} {} 0.0 3.6566 0 {} 0
102 {} 1.19204 0.01351 0.01241 ++ {0.0} {} {} 4.31317 0.04276 0.03627 ++ {0.0} {} 0.0 4.1511 -1 {} 0
103 {19.HG1} 1.54121 0.01454 0.02078 ++ {0.0} {} {19.HA} 4.19753 0.12033 0.09484 ++ {0.0} {} 0.0 3.9452 0 {} 0
104 {1.HG2} 2.04400 0.06667 0.09779 ++ {0.0} {} {1.HB1} 2.59457 0.11347 0.18775 ++ {0.0} {} 0.0 28.7311 0 {} 0
105 {1.HG2} 2.03012 0.04702 0.09085 ++ {0.0} {} {1.HB2} 2.45547 0.13143 0.18775 ++ {0.0} {} 0.0 28.7690 0 {} 0
106 {} 0.59000 0.01916 0.03802 ++ {0.0} {} {} 2.77511 0.07145 0.15680 ++ {0.0} {} 0.0 26.9291 0 {} 0
107 {} 0.57281 0.01916 0.03802 ++ {0.0} {} {} 2.77511 0.07145 0.15680 ++ {0.0} {} 0.0 26.9291 0 {} 0
108 {19.HN} 7.82582 0.03796 0.06984 ++ {0.0} {} {19.HB1} 1.93237 0.13143 0.18775 ++ {0.0} {} 0.0 5.2775 0 {} 0
109 {} 7.83188 0.03704 0.06524 ++ {0.0} {} {} 1.68567 0.21973 0.31391 ++ {0.0} {} 0.0 35.8981 0 {} 0
110 {8.HN} 7.91553 0.00534 0.01761 ++ {0.0} {} {8.HB2} 1.62315 0.06157 0.08786 ++ {0.0} {} 0.0 0.7812 0 {} 0
111 {12.HN} 7.83446 0.03147 0.05760 ++ {0.0} {} {12.HA} 4.07741 0.07362 0.16046 ++ {0.0} {} 0.0 58.9613 0 {} 0
112 {7.HD2} 1.68335 0.06270 0.13537 ++ {0.0} {} {7.HA} 4.06177 0.08748 0.21599 ++ {0.0} {} 0.0 28.3391 0 {} 0
113 {2.HB1} 2.02748 0.03728 0.12848 ++ {0.0} {} {2.HA} 4.38131 0.07831 0.14728 ++ {0.0} {} 0.0 17.1318 0 {} 0
114 {} 1.34159 0.03728 0.15250 ++ {0.0} {} {} 4.07878 0.07831 0.21749 ++ {0.0} {} 0.0 17.1318 -1 {} 0
115 {8.HB2} 1.54902 0.02711 0.06629 ++ {0.0} {} {8.HA} 4.01063 0.06509 0.12898 ++ {0.0} {} 0.0 1.4664 0 {} 0
116 {8.HG} 1.79217 0.06012 0.07289 ++ {0.0} {} {8.HA} 4.01458 0.19755 0.12139 ++ {0.0} {} 0.0 15.5378 0 {} 0
117 {10.HB2} 2.00350 0.02108 0.03739 ++ {0.0} {} {10.HA} 4.03754 0.06867 0.17141 ++ {0.0} {} 0.0 2.1940 0 {} 0
118 {6.HG2} 1.41110 0.02631 0.03957 ++ {0.0} {} {6.HA} 4.00956 0.06823 0.15190 ++ {0.0} {} 0.0 2.6583 0 {} 0
119 {14.HN} 7.67006 0.01887 0.01687 ++ {0.0} {} {14.HD21} 0.87684 0.09442 0.08078 ++ {0.0} {} 0.0 -0.9293 0 {} 0
120 {8.HN} 7.91248 0.00962 0.01375 ++ {0.0} {} {8.HD11} 0.93522 0.06247 0.03878 ++ {0.0} {} 0.0 -0.9638 0 {} 0
121 {8.HN} 7.91248 0.00962 0.01661 ++ {0.0} {} {8.HD21} 0.88391 0.06247 0.04059 ++ {0.0} {} 0.0 -0.9638 0 {} 0
122 {12.} 7.38548 0.01102 0.13902 ++ {0.0} {} {12.} 4.07000 0.05156 0.15571 ++ {0.0} {} 0.0 -1.0004 0 {} 0
123 {9.} 7.31995 0.02039 0.13032 ++ {0.0} {} {9.} 4.01000 0.06585 0.13312 ++ {0.0} {} 0.0 -1.8811 0 {} 0
124 {8.} 7.25436 0.02788 0.09382 ++ {0.0} {} {8.} 4.00000 0.07696 0.16204 ++ {0.0} {} 0.0 4.4939 0 {} 0
125 {14.HN} 7.40665 0.02788 0.15913 ++ {0.0} {} {} 4.20000 0.07696 0.12739 ++ {0.0} {} 0.0 4.4939 0 {} 0
126 {3.HA} 4.21887 0.02751 0.04185 ++ {0.0} {} {3.HN} 7.82729 0.10649 0.17164 ++ {0.0} {} 0.0 3.5864 0 {} 0
127 {14.HA} 4.19083 0.03003 0.04597 ++ {0.0} {} {14.HN} 7.65799 0.07834 0.11930 ++ {0.0} {} 0.0 3.2830 0 {} 0
128 {19.HA} 4.10287 0.03083 0.05727 ++ {0.0} {} {19.HN} 7.82954 0.08727 0.22540 ++ {0.0} {} 0.0 29.3771 0 {} 0
129 {10.HA} 4.06084 0.02875 0.04612 ++ {0.0} {} {10.HN} 7.71625 0.10442 0.18775 ++ {0.0} {} 0.0 5.1531 0 {} 0
130 {16.HA} 4.05585 0.04009 0.06210 ++ {0.0} {} {16.HN} 7.56163 0.08627 0.18775 ++ {0.0} {} 0.0 7.6415 0 {} 0
131 {7.HA} 4.07841 0.02961 0.05994 ++ {0.0} {} {7.HN} 8.01381 0.09397 0.17342 ++ {0.0} {} 0.0 3.7200 0 {} 0
132 {} 4.02274 0.03146 0.05052 ++ {0.0} {} {} 8.11945 0.08202 0.17674 ++ {0.0} {} 0.0 5.0576 0 {} 0
133 {8.HA} 3.99531 0.02756 0.03894 ++ {0.0} {} {8.HN} 7.91097 0.07789 0.12066 ++ {0.0} {} 0.0 3.4745 0 {} 0
134 {} 3.96197 0.02778 0.05591 ++ {0.0} {} {} 7.81999 0.13501 0.20976 ++ {0.0} {} 0.0 5.5797 0 {} 0
135 {13.HA} 3.93949 0.03581 0.05457 ++ {0.0} {} {13.HN} 8.14076 0.09858 0.17870 ++ {0.0} {} 0.0 3.9009 0 {} 0
136 {12.HG} 1.78754 0.05466 0.05274 ++ {0.0} {} {12.HA} 4.07491 0.19032 0.13303 ++ {0.0} {} 0.0 15.5378 0 {} 0
137 {19.HB1} 1.92521 0.05466 0.06201 ++ {0.0} {} {19.HA} 4.19132 0.19032 0.17830 ++ {0.0} {} 0.0 15.5378 0 {} 0
138 {10.HG2} 1.45092 0.02631 0.04285 ++ {0.0} {} {10.HA} 4.01068 0.06823 0.14121 ++ {0.0} {} 0.0 2.6583 0 {} 0
139 {16.HG11} 1.49686 0.02631 0.04478 ++ {0.0} {} {16.HA} 4.04014 0.06823 0.14121 ++ {0.0} {} 0.0 2.6583 0 {} 0
140 {14.HB1} 1.50464 0.02631 0.04196 ++ {0.0} {} {14.HA} 4.19293 0.06823 0.11281 ++ {0.0} {} 0.0 2.6583 0 {} 0
141 {} 4.38486 0.04488 0.04802 ++ {0.0} {} {} 2.59899 0.06995 0.08281 ++ {0.0} {} 0.0 2.9987 0 {} 0
142 {1.HA} 4.40401 0.04098 0.05429 ++ {0.0} {} {1.HB2} 2.02087 0.08489 0.10959 ++ {0.0} {} 0.0 3.4523 0 {} 0
143 {17.HA} 4.33022 0.03199 0.06955 ++ {0.0} {} {17.HB1} 1.31589 0.10207 0.19455 ++ {0.0} {} 0.0 9.6180 0 {} 0
144 {3.HA} 4.23496 0.03583 0.07288 ++ {0.0} {} {3.HB1} 1.41387 0.06945 0.22939 ++ {0.0} {} 0.0 18.9923 0 {} 0
145 {} 4.10568 0.04510 0.06718 ++ {0.0} {} {} 1.32755 0.08043 0.17766 ++ {0.0} {} 0.0 10.8804 0 {} 0
146 {16.HA} 4.05459 0.03964 0.06832 ++ {0.0} {} {16.HG21} 0.79088 0.18472 0.24098 ++ {0.0} {} 0.0 11.5353 0 {} 0
147 {12.HA} 4.08157 0.03514 0.05021 ++ {0.0} {} {12.HD11} 0.93046 0.08175 0.06350 ++ {0.0} {} 0.0 2.0010 0 {} 0
148 {9.HA} 4.00254 0.05184 0.07373 ++ {0.0} {} {9.HD11} 0.87694 0.13033 0.18603 ++ {0.0} {} 0.0 4.2590 0 {} 0
149 {16.HA} 4.04395 0.04532 0.04332 ++ {0.0} {} {16.HG11} 1.53493 0.07809 0.16327 ++ {0.0} {} 0.0 2.4042 0 {} 0
150 {} 3.79340 0.01407 0.02010 ++ {0.0} {} {} 1.51891 0.06471 0.05368 ++ {0.0} {} 0.0 2.0912 0 {} 0
151 {19.HA} 4.21495 0.02645 0.02459 ++ {0.0} {} {19.HB1} 1.93878 0.09033 0.08064 ++ {0.0} {} 0.0 2.2107 0 {} 0
152 {14.HA} 4.17446 0.02464 0.03520 ++ {0.0} {} {14.HG} 1.81377 0.10697 0.11469 ++ {0.0} {} 0.0 2.6383 0 {} 0
153 {14.HA} 4.17134 0.01343 0.01919 ++ {0.0} {} {14.HB2} 1.58113 0.10282 0.04913 ++ {0.0} {} 0.0 1.6081 0 {} 0
154 {} 3.97307 0.04733 0.05965 ++ {0.0} {} {} 1.45875 0.18617 0.26839 ++ {0.0} {} 0.0 17.3812 0 {} 0
155 {8.HA} 4.01522 0.05202 0.04528 ++ {0.0} {} {8.HB2} 1.52532 0.11406 0.22616 ++ {0.0} {} 0.0 11.5206 0 {} 0
156 {13.HA} 3.95326 0.04107 0.05867 ++ {0.0} {} {13.HG1} 1.69240 0.19130 0.30771 ++ {0.0} {} 0.0 8.5719 0 {} 0
157 {10.HA} 4.01567 0.03012 0.04303 ++ {0.0} {} {10.HG2} 1.40190 0.09594 0.13065 ++ {0.0} {} 0.0 3.6124 0 {} 0
158 {6.HA} 4.01466 0.05202 0.07432 ++ {0.0} {} {6.HB1} 1.88303 0.11406 0.22616 ++ {0.0} {} 0.0 11.5206 0 {} 0
159 {4.HA} 4.10201 0.04733 0.09974 ++ {0.0} {} {4.HG2} 1.67810 0.18617 0.29988 ++ {0.0} {} 0.0 17.3812 0 {} 0
160 {13.HA} 3.95999 0.04107 0.05867 ++ {0.0} {} {13.HB2} 1.89825 0.19130 0.30771 ++ {0.0} {} 0.0 8.5719 0 {} 0
161 {6.HA} 4.01529 0.06845 0.09779 ++ {0.0} {} {6.HD2} 1.71114 0.13143 0.18775 ++ {0.0} {} 0.0 9.5175 0 {} 0
162 {16.HA} 4.05908 0.04532 0.03854 ++ {0.0} {} {16.HB} 1.93988 0.07809 0.19702 ++ {0.0} {} 0.0 2.4042 0 {} 0
163 {} 3.84493 0.04532 0.04430 ++ {0.0} {} {} 1.19747 0.07809 0.07668 ++ {0.0} {} 0.0 2.4042 0 {} 0
164 {} 3.63715 0.02049 0.03344 ++ {0.0} {} {} 0.87660 0.08935 0.18220 ++ {0.0} {} 0.0 7.8118 0 {} 0
165 {} 3.64838 0.01369 0.01956 ++ {0.0} {} {} 1.13233 0.09736 0.18099 ++ {0.0} {} 0.0 7.4988 0 {} 0
166 {} 3.62390 0.02141 0.03520 ++ {0.0} {} {} 1.13266 0.08025 0.18399 ++ {0.0} {} 0.0 16.0281 0 {} 0
167 {} 3.59773 0.01349 0.02581 ++ {0.0} {} {} 1.13085 0.09427 0.18396 ++ {0.0} {} 0.0 7.7497 0 {} 0
168 {7.HE1} 2.96409 0.04710 0.06925 ++ {0.0} {} {7.HG1} 1.33924 0.07216 0.18893 ++ {0.0} {} 0.0 103.2276 0 {} 0
169 {19.HE1} 2.96058 0.03904 0.09956 ++ {0.0} {} {19.HD1} 1.67067 0.09763 0.13947 ++ {0.0} {} 0.0 260.5712 0 {} 0
170 {6.HE1} 2.94928 0.05862 0.08833 ++ {0.0} {} {6.HB1} 1.86938 0.13143 0.18775 ++ {0.0} {} 0.0 43.4920 0 {} 0
171 {} 2.78969 0.01917 0.02738 ++ {0.0} {} {} 1.72998 0.06675 0.10880 ++ {0.0} {} 0.0 20.1930 0 {} 0
172 {} 2.77190 0.01917 0.02738 ++ {0.0} {} {} 1.72926 0.06835 0.11224 ++ {0.0} {} 0.0 20.8713 0 {} 0
173 {} 2.80582 0.01369 0.01956 ++ {0.0} {} {} 1.72805 0.07085 0.11312 ++ {0.0} {} 0.0 18.5140 0 {} 0
174 {} 2.78908 0.04259 0.05907 ++ {0.0} {} {} 0.57227 0.08379 0.19169 ++ {0.0} {} 0.0 35.9016 0 {} 0
175 {6.HE2} 2.87429 0.04259 0.05907 ++ {0.0} {} {6.HG2} 1.51716 0.08379 0.19169 ++ {0.0} {} 0.0 35.9016 0 {} 0
176 {11.HE2} 2.92692 0.03889 0.06327 ++ {0.0} {} {11.HB2} 1.94739 0.08169 0.22143 ++ {0.0} {} 0.0 43.3836 0 {} 0
177 {2.HG1} 2.61298 0.03889 0.06327 ++ {0.0} {} {2.HB1} 2.03850 0.08169 0.22143 ++ {0.0} {} 0.0 43.3836 0 {} 0
178 {1.HB1} 2.46110 0.05119 0.09803 ++ {0.0} {} {1.HB2} 2.00590 0.11647 0.21598 ++ {0.0} {} 0.0 30.4994 0 {} 0
179 {16.HB} 1.92788 0.05360 0.08411 ++ {0.0} {} {16.HG21} 0.79132 0.06526 0.11077 ++ {0.0} {} 0.0 24.6830 0 {} 0
180 {} 1.74419 0.05550 0.08519 ++ {0.0} {} {} 0.57220 0.08151 0.12486 ++ {0.0} {} 0.0 15.9570 0 {} 0
181 {14.HG} 1.80097 0.06499 0.14104 ++ {0.0} {} {14.HD21} 0.88219 0.10834 0.23707 ++ {0.0} {} 0.0 90.3983 0 {} 0
182 {16.HG11} 1.51580 0.05411 0.08972 ++ {0.0} {} {16.HD11} 0.79873 0.06616 0.10470 ++ {0.0} {} 0.0 17.8967 0 {} 0
183 {12.HG} 1.75143 0.05411 0.09371 ++ {0.0} {} {12.HD21} 0.92000 0.06616 0.21645 ++ {0.0} {} 0.0 17.8967 0 {} 0
184 {9.HB2} 1.64631 0.05411 0.08972 ++ {0.0} {} {9.HD11} 0.90418 0.06616 0.23754 ++ {0.0} {} 0.0 17.8967 0 {} 0
185 {16.HD11} 0.80154 0.03572 0.06009 ++ {0.0} {} {16.HB} 1.91856 0.06876 0.15443 ++ {0.0} {} 0.0 49.6033 0 {} 0
186 {16.HD11} 0.81018 0.03182 0.06647 ++ {0.0} {} {16.HG11} 1.50533 0.10631 0.22724 ++ {0.0} {} 0.0 42.5918 0 {} 0
187 {16.HD11} 0.80519 0.02880 0.08246 ++ {0.0} {} {16.HG12} 1.18978 0.09768 0.23292 ++ {0.0} {} 0.0 61.1993 0 {} 0
188 {} 0.78531 0.01765 0.02704 ++ {0.0} {} {} 1.08168 0.04851 0.07559 ++ {0.0} {} 0.0 16.9138 0 {} 0
189 {14.HD21} 0.85382 0.01917 0.02738 ++ {0.0} {} {14.HG} 1.77030 0.17737 0.30217 ++ {0.0} {} 0.0 53.8465 0 {} 0
190 {12.HD21} 0.92139 0.03502 0.06988 ++ {0.0} {} {12.HG} 1.75391 0.18504 0.28867 ++ {0.0} {} 0.0 124.0957 0 {} 0
191 {} 0.89278 0.04326 0.05651 ++ {0.0} {} {} 1.19381 0.06999 0.09821 ++ {0.0} {} 0.0 12.5168 0 {} 0
192 {} 0.90361 0.06104 0.05584 ++ {0.0} {} {} 1.31108 0.07244 0.06713 ++ {0.0} {} 0.0 6.9602 0 {} 0
193 {} 0.96102 0.04926 0.04723 ++ {0.0} {} {} 1.25177 0.07258 0.06997 ++ {0.0} {} 0.0 7.2105 0 {} 0
194 {} 0.96315 0.02806 0.04923 ++ {0.0} {} {} 1.71706 0.13065 0.32182 ++ {0.0} {} 0.0 36.5474 0 {} 0
195 {14.HD21} 0.88985 0.03502 0.12811 ++ {0.0} {} {14.HG} 1.77500 0.18504 0.39057 ++ {0.0} {} 0.0 124.0957 0 {} 0
196 {} 1.58861 0.05067 0.04922 ++ {0.0} {} {} 3.18071 0.08121 0.07898 ++ {0.0} {} 0.0 7.2708 0 {} 0
197 {} 1.78232 0.05115 0.09779 ++ {0.0} {} {} 1.32838 0.07754 0.14958 ++ {0.0} {} 0.0 27.3187 0 {} 0
198 {16.HB} 1.90698 0.09413 0.14977 ++ {0.0} {} {16.HG11} 1.51281 0.13143 0.18775 ++ {0.0} {} 0.0 19.0633 0 {} 0
199 {} 1.42739 0.07940 0.11343 ++ {0.0} {} {} 1.88671 0.13143 0.18775 ++ {0.0} {} 0.0 15.0405 0 {} 0
200 {1.HD1} 3.37020 0.03647 0.05836 ++ {0.0} {} {1.HB1} 2.45111 0.08127 0.16313 ++ {0.0} {} 0.0 22.4030 0 {} 0
201 {1.HD2} 3.37060 0.04856 0.08165 ++ {0.0} {} {1.HG1} 2.00946 0.09646 0.22651 ++ {0.0} {} 0.0 82.2858 0 {} 0
202 {7.HA} 4.11229 0.03379 0.03243 ++ {0.0} {} {7.HE1} 2.94970 0.07978 0.07474 ++ {0.0} {} 0.0 7.0265 0 {} 0
203 {6.HA} 4.01858 0.05442 0.07774 ++ {0.0} {} {6.HE1} 2.94752 0.09186 0.04681 ++ {0.0} {} 0.0 5.0120 0 {} 0
204 {} 3.60836 0.01597 0.02307 ++ {0.0} {} {} 8.25584 0.07603 0.12054 ++ {0.0} {} 0.0 4.7218 0 {} 0
205 {} 3.32511 0.01363 0.02344 ++ {0.0} {} {} 9.09471 0.05959 0.10829 ++ {0.0} {} 0.0 10.7176 0 {} 0
206 {} 3.17004 0.01669 0.02912 ++ {0.0} {} {} 9.57175 0.07713 0.18897 ++ {0.0} {} 0.0 10.6170 0 {} 0
207 {18.HB1} 3.22257 0.01917 0.02738 ++ {0.0} {} {18.HN} 8.19975 0.09608 0.20464 ++ {0.0} {} 0.0 7.2753 -1 {} 0
208 {18.HB1} 3.19730 0.02555 0.04577 ++ {0.0} {} {18.HN} 8.19696 0.08799 0.21904 ++ {0.0} {} 0.0 13.6026 0 {} 0
209 {18.HB2} 3.01810 0.05336 0.04874 ++ {0.0} {} {18.HN} 8.19431 0.08814 0.21764 ++ {0.0} {} 0.0 11.0241 0 {} 0
210 {} 2.98765 0.05336 0.04895 ++ {0.0} {} {} 8.18764 0.08814 0.15092 ++ {0.0} {} 0.0 11.0241 -1 {} 0
211 {19.HE1} 2.97574 0.01907 0.02481 ++ {0.0} {} {19.HN} 7.82684 0.08171 0.10719 ++ {0.0} {} 0.0 2.8458 0 {} 0
212 {19.HE2} 2.94783 0.01907 0.02481 ++ {0.0} {} {19.HN} 7.83018 0.08171 0.10719 ++ {0.0} {} 0.0 2.8458 0 {} 0
213 {16.HB} 1.93019 0.04667 0.06090 ++ {0.0} {} {16.HN} 7.55516 0.06714 0.09193 ++ {0.0} {} 0.0 3.8808 0 {} 0
214 {19.HB1} 1.91779 0.04176 0.04295 ++ {0.0} {} {19.HN} 7.82061 0.10809 0.11309 ++ {0.0} {} 0.0 2.5665 0 {} 0
215 {12.HG} 1.77959 0.03877 0.07281 ++ {0.0} {} {12.HN} 7.83125 0.08396 0.20983 ++ {0.0} {} 0.0 14.9837 0 {} 0
216 {14.HG} 1.80633 0.03206 0.04579 ++ {0.0} {} {14.HN} 7.65663 0.05536 0.02632 ++ {0.0} {} 0.0 1.6056 0 {} 0
217 {19.HD1} 1.69084 0.05528 0.08673 ++ {0.0} {} {19.HN} 7.82852 0.09149 0.21320 ++ {0.0} {} 0.0 13.8528 0 {} 0
218 {} 1.35703 0.04445 0.09100 ++ {0.0} {} {} 7.82968 0.08850 0.19341 ++ {0.0} {} 0.0 10.0233 0 {} 0
219 {17.HB1} 1.32759 0.02876 0.05008 ++ {0.0} {} {17.HN} 7.61800 0.17332 0.24794 ++ {0.0} {} 0.0 53.0836 0 {} 0
220 {} 1.20045 0.01913 0.02791 ++ {0.0} {} {} 8.34591 0.05273 0.07956 ++ {0.0} {} 0.0 4.9829 0 {} 0
221 {16.HD11} 0.79842 0.03033 0.05423 ++ {0.0} {} {16.HN} 7.56240 0.07153 0.13573 ++ {0.0} {} 0.0 10.6126 0 {} 0
222 {} 1.74133 0.06851 0.09260 ++ {0.0} {} {} 2.76970 0.06500 0.10501 ++ {0.0} {} 0.0 15.5472 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 2 . 8012.820 Hz . . . 2351.05 . . 30408 1
2 . . H 1 H 1 . 8002.124 Hz . . . 2351.05 . . 30408 1
stop_
save_