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 30871
_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 9
_Spectral_peak_list.Experiment_name '3D HNCACB'
_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
;
Cb intensities <0.
Accessed via the Ponderosa Web client.
Automatic NOE assignments via CYANA.
Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH.
Lee W, Stark JL, Markley JL. (2014) PONDEROSA-C/S: Client-server based software package
for automated protein 3D structure determination. Journal of Biomolecular NMR 60(2-3):73-5.
;
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
1H H1y N15
20191213_JR22_gnoesyNfhsqcA.nv
2106.11547852 6595.65917969 1400.02099609
599.607971191 599.607971191 60.7649993896
1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U H1y.L H1y.P H1y.W H1y.B H1y.E H1y.J H1y.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9
0 {} 7.90321 0.02970 0.08378 ++ {0.0} {} {} 7.89614 0.13155 0.33895 ++ {0.0} {} {} 126.49689 0.52422 1.52295 ++ {0.0} {} 0.0 0.7158 0 {} 0 0 0
1 {} 7.90133 0.03123 0.03894 ++ {0.0} {} {} 4.34829 0.24930 0.31496 ++ {0.0} {} {} 126.46827 0.66341 0.97187 ++ {0.0} {} 0.0 0.0167 0 {} 0 0 0
2 {} 7.90442 0.03725 0.01223 ++ {0.0} {} {} 1.94595 0.09640 0.13771 ++ {0.0} {} {} 126.46601 0.53926 0.22636 ++ {0.0} {} 0.0 0.0072 0 {} 0 0 0
3 {} 8.58851 0.05951 0.05525 ++ {0.0} {} {} 8.57324 0.13105 0.11870 ++ {0.0} {} {} 122.62608 0.77408 0.70112 ++ {0.0} {} 0.0 0.0103 0 {} 0 0 0
4 {} 8.28877 0.03982 0.05806 ++ {0.0} {} {} 3.16069 0.26572 0.35584 ++ {0.0} {} {} 122.58091 0.51737 0.74766 ++ {0.0} {} 0.0 0.0204 0 {} 0 0 0
5 {} 8.72697 0.06764 0.07906 ++ {0.0} {} {} 8.72354 0.16416 0.19142 ++ {0.0} {} {} 122.29961 0.74754 0.92323 ++ {0.0} {} 0.0 0.0135 0 {} 0 0 0
6 {} 8.38640 0.03765 0.16144 ++ {0.0} {} {} 8.38554 0.18059 0.25799 ++ {0.0} {} {} 122.39407 0.82531 2.44097 ++ {0.0} {} 0.0 0.3700 0 {} 0 0 0
7 {} 8.38232 0.03047 0.03221 ++ {0.0} {} {} 7.80911 0.11891 0.12700 ++ {0.0} {} {} 122.40860 0.81629 0.87426 ++ {0.0} {} 0.0 0.0121 0 {} 0 0 0
8 {} 8.67132 0.03460 0.00873 ++ {0.0} {} {} 4.17520 0.23688 0.06682 ++ {0.0} {} {} 122.34374 0.95406 0.24568 ++ {0.0} {} 0.0 0.0064 0 {} 0 0 0
9 {} 8.38664 0.03871 0.06750 ++ {0.0} {} {} 1.75661 0.12616 0.39652 ++ {0.0} {} {} 122.40201 0.75165 1.31247 ++ {0.0} {} 0.0 0.0342 0 {} 0 0 0
10 {} 8.28464 0.04046 0.18296 ++ {0.0} {} {} 8.28697 0.15344 0.21920 ++ {0.0} {} {} 121.87188 1.03319 2.61845 ++ {0.0} {} 0.0 0.4299 0 {} 0 0 0
11 {} 8.28319 0.03971 0.07627 ++ {0.0} {} {} 4.19976 0.17384 0.29225 ++ {0.0} {} {} 121.89308 0.75782 1.53710 ++ {0.0} {} 0.0 0.0257 0 {} 0 0 0
12 {} 8.26007 0.03880 0.02826 ++ {0.0} {} {} 2.77294 0.22773 0.13569 ++ {0.0} {} {} 121.60706 1.14987 0.75987 ++ {0.0} {} 0.0 0.0084 0 {} 0 0 0
13 {} 8.28354 0.03241 0.05792 ++ {0.0} {} {} 2.36359 0.14139 0.44437 ++ {0.0} {} {} 121.83410 0.54929 1.20387 ++ {0.0} {} 0.0 0.0352 0 {} 0 0 0
14 {} 8.19647 0.04111 0.13991 ++ {0.0} {} {} 8.20010 0.15729 0.22470 ++ {0.0} {} {} 121.14354 0.63289 2.82046 ++ {0.0} {} 0.0 0.2131 0 {} 0 0 0
15 {} 8.36087 0.04044 0.18296 ++ {0.0} {} {} 4.23421 0.17393 0.35514 ++ {0.0} {} {} 121.36729 0.99948 2.88786 ++ {0.0} {} 0.0 0.0406 0 {} 0 0 0
16 {} 8.19640 0.03538 0.04284 ++ {0.0} {} {} 3.45049 0.09835 0.29419 ++ {0.0} {} {} 121.17518 0.52029 0.62597 ++ {0.0} {} 0.0 0.0142 0 {} 0 0 0
17 {} 8.19752 0.02856 0.03616 ++ {0.0} {} {} 3.08998 0.08318 0.24040 ++ {0.0} {} {} 121.17685 0.60472 0.75757 ++ {0.0} {} 0.0 0.0151 0 {} 0 0 0
18 {} 8.19571 0.05274 0.07534 ++ {0.0} {} {} 4.16689 0.23542 0.27930 ++ {0.0} {} {} 121.05438 1.42637 1.58164 ++ {0.0} {} 0.0 0.0142 0 {} 0 0 0
19 {} 7.78910 0.03597 0.02559 ++ {0.0} {} {} 3.81747 0.30055 0.18423 ++ {0.0} {} {} 120.87869 0.53550 0.39045 ++ {0.0} {} 0.0 0.0089 0 {} 0 0 0
20 {} 8.19728 0.02682 0.07247 ++ {0.0} {} {} 2.12009 0.28750 0.34597 ++ {0.0} {} {} 121.04614 1.27824 1.41479 ++ {0.0} {} 0.0 0.0144 0 {} 0 0 0
21 {} 8.47052 0.03351 0.09686 ++ {0.0} {} {} 8.46867 0.17959 0.25655 ++ {0.0} {} {} 120.70330 0.63142 1.97999 ++ {0.0} {} 0.0 0.3456 0 {} 0 0 0
22 {} 8.38722 0.04355 0.13991 ++ {0.0} {} {} 8.38727 0.17729 0.25327 ++ {0.0} {} {} 120.52411 0.71641 2.51999 ++ {0.0} {} 0.0 0.5191 0 {} 0 0 0
23 {} 8.24110 0.04063 0.26906 ++ {0.0} {} {} 8.23947 0.13945 0.34861 ++ {0.0} {} {} 120.44794 0.91457 1.97999 ++ {0.0} {} 0.0 0.3134 0 {} 0 0 0
24 {} 8.47336 0.03055 0.02933 ++ {0.0} {} {} 7.97596 0.12749 0.12174 ++ {0.0} {} {} 120.73730 0.49273 0.47049 ++ {0.0} {} 0.0 0.0108 0 {} 0 0 0
25 {} 7.85624 0.03977 0.24672 ++ {0.0} {} {} 7.85920 0.15756 0.22508 ++ {0.0} {} {} 120.61677 0.74900 1.87580 ++ {0.0} {} 0.0 0.3795 0 {} 0 0 0
26 {} 8.39166 0.03189 0.03374 ++ {0.0} {} {} 7.81219 0.10680 0.11261 ++ {0.0} {} {} 120.55659 0.64670 0.68186 ++ {0.0} {} 0.0 0.0120 0 {} 0 0 0
27 {} 8.46759 0.03594 0.00400 ++ {0.0} {} {} 7.11490 0.14555 0.01249 ++ {0.0} {} {} 120.70394 0.79665 0.06809 ++ {0.0} {} 0.0 0.0059 0 {} 0 0 0
28 {} 7.82566 0.03377 0.06278 ++ {0.0} {} {} 4.23054 0.16793 0.28494 ++ {0.0} {} {} 120.43834 0.59384 1.02770 ++ {0.0} {} 0.0 0.0222 0 {} 0 0 0
29 {} 8.46491 0.05274 0.07534 ++ {0.0} {} {} 4.20533 0.18216 0.13718 ++ {0.0} {} {} 120.67963 0.75774 1.08249 ++ {0.0} {} 0.0 0.0091 0 {} 0 0 0
30 {} 8.24218 0.05080 0.18381 ++ {0.0} {} {} 4.20330 0.17552 0.30812 ++ {0.0} {} {} 120.45957 0.72348 1.55147 ++ {0.0} {} 0.0 0.0235 0 {} 0 0 0
31 {} 8.46950 0.03409 0.03775 ++ {0.0} {} {} 3.89903 0.17420 0.22038 ++ {0.0} {} {} 120.66176 0.75713 0.89608 ++ {0.0} {} 0.0 0.0129 0 {} 0 0 0
32 {} 8.39253 0.03134 0.04357 ++ {0.0} {} {} 3.83734 0.23844 0.33161 ++ {0.0} {} {} 120.50367 0.59217 0.90137 ++ {0.0} {} 0.0 0.0197 0 {} 0 0 0
33 {} 8.39179 0.03477 0.04388 ++ {0.0} {} {} 3.48250 0.28490 0.40701 ++ {0.0} {} {} 120.50186 0.61090 0.81614 ++ {0.0} {} 0.0 0.0165 0 {} 0 0 0
34 {} 8.47191 0.03663 0.04280 ++ {0.0} {} {} 3.23148 0.27373 0.30666 ++ {0.0} {} {} 120.71224 0.62138 0.71715 ++ {0.0} {} 0.0 0.0134 0 {} 0 0 0
35 {} 8.38976 0.03146 0.03078 ++ {0.0} {} {} 3.04746 0.29425 0.28674 ++ {0.0} {} {} 120.53368 0.65703 0.63900 ++ {0.0} {} 0.0 0.0110 0 {} 0 0 0
36 {} 8.47002 0.03888 0.11839 ++ {0.0} {} {} 2.12443 0.13457 0.42295 ++ {0.0} {} {} 120.70071 0.85118 1.56745 ++ {0.0} {} 0.0 0.0292 0 {} 0 0 0
37 {} 8.24252 0.04120 0.14114 ++ {0.0} {} {} 2.13511 0.12409 0.39000 ++ {0.0} {} {} 120.45766 0.59535 1.40242 ++ {0.0} {} 0.0 0.0319 0 {} 0 0 0
38 {} 7.82486 0.03838 0.11455 ++ {0.0} {} {} 1.91573 0.36094 0.51562 ++ {0.0} {} {} 120.43105 0.53310 1.02773 ++ {0.0} {} 0.0 0.0330 0 {} 0 0 0
39 {} 8.38594 0.04135 0.10637 ++ {0.0} {} {} 1.89171 0.16046 0.48703 ++ {0.0} {} {} 120.51997 0.67369 1.55614 ++ {0.0} {} 0.0 0.0500 0 {} 0 0 0
40 {} 8.51569 0.04004 0.16429 ++ {0.0} {} {} 8.51458 0.12423 0.17747 ++ {0.0} {} {} 120.09583 0.86881 3.84204 ++ {0.0} {} 0.0 0.3766 0 {} 0 0 0
41 {} 8.09120 0.03473 0.29059 ++ {0.0} {} {} 8.09326 0.12593 0.17990 ++ {0.0} {} {} 120.19749 0.75266 2.29696 ++ {0.0} {} 0.0 0.8042 0 {} 0 0 0
42 {} 8.51778 0.04181 0.07668 ++ {0.0} {} {} 4.14354 0.23793 0.35188 ++ {0.0} {} {} 120.10229 0.62447 1.11569 ++ {0.0} {} 0.0 0.0230 0 {} 0 0 0
43 {} 8.09105 0.03971 0.10013 ++ {0.0} {} {} 4.18346 0.24472 0.34961 ++ {0.0} {} {} 120.19948 0.85806 1.53338 ++ {0.0} {} 0.0 0.0442 0 {} 0 0 0
44 {} 8.51596 0.03690 0.07635 ++ {0.0} {} {} 2.25245 0.36094 0.51562 ++ {0.0} {} {} 120.09066 0.56128 1.22193 ++ {0.0} {} 0.0 0.0381 0 {} 0 0 0
45 {} 8.09080 0.03850 0.10499 ++ {0.0} {} {} 2.00513 0.12822 0.40296 ++ {0.0} {} {} 120.19347 0.74565 1.53203 ++ {0.0} {} 0.0 0.0918 0 {} 0 0 0
46 {} 8.29869 0.04113 0.09686 ++ {0.0} {} {} 8.29852 0.18141 0.25916 ++ {0.0} {} {} 119.90506 0.85585 1.22264 ++ {0.0} {} 0.0 0.3249 0 {} 0 0 0
47 {} 8.29929 0.06780 0.09686 ++ {0.0} {} {} 4.17122 0.14861 0.46705 ++ {0.0} {} {} 119.94285 1.00176 1.38719 ++ {0.0} {} 0.0 0.0181 0 {} 0 0 0
48 {} 8.29687 0.04723 0.13991 ++ {0.0} {} {} 1.90869 0.36094 0.51562 ++ {0.0} {} {} 119.90980 0.82805 1.34845 ++ {0.0} {} 0.0 0.0275 0 {} 0 0 0
49 {} 8.35228 0.03960 0.09686 ++ {0.0} {} {} 8.35170 0.12849 0.36184 ++ {0.0} {} {} 119.43713 0.81556 1.60544 ++ {0.0} {} 0.0 0.4033 0 {} 0 0 0
50 {} 8.01656 0.05010 0.09686 ++ {0.0} {} {} 8.37081 0.24482 0.31205 ++ {0.0} {} {} 119.37673 0.66250 1.29790 ++ {0.0} {} 0.0 0.0239 0 {} 0 0 0
51 {} 7.82997 0.03653 0.08375 ++ {0.0} {} {} 8.38193 0.21492 0.32799 ++ {0.0} {} {} 119.49586 0.81841 1.39455 ++ {0.0} {} 0.0 0.0393 0 {} 0 0 0
52 {} 8.01840 0.04463 0.43206 ++ {0.0} {} {} 8.01839 0.13764 0.35302 ++ {0.0} {} {} 119.39622 0.85244 1.82820 ++ {0.0} {} 0.0 0.5276 0 {} 0 0 0
53 {} 8.35188 0.03896 0.05166 ++ {0.0} {} {} 7.99026 0.15328 0.20327 ++ {0.0} {} {} 119.46983 0.69824 0.95620 ++ {0.0} {} 0.0 0.0162 0 {} 0 0 0
54 {} 8.41865 0.04286 0.07534 ++ {0.0} {} {} 4.19058 0.26561 0.37754 ++ {0.0} {} {} 119.37957 0.68763 1.26092 ++ {0.0} {} 0.0 0.0188 0 {} 0 0 0
55 {} 8.35087 0.03950 0.11839 ++ {0.0} {} {} 4.11265 0.17738 0.30085 ++ {0.0} {} {} 119.46839 0.83858 1.34718 ++ {0.0} {} 0.0 0.0284 0 {} 0 0 0
56 {} 8.01905 0.04008 0.09197 ++ {0.0} {} {} 4.03141 0.23774 0.33963 ++ {0.0} {} {} 119.40500 0.66490 1.25881 ++ {0.0} {} 0.0 0.0280 0 {} 0 0 0
57 {} 7.83017 0.03396 0.05347 ++ {0.0} {} {} 3.46644 0.19554 0.33142 ++ {0.0} {} {} 119.52284 0.79453 1.17859 ++ {0.0} {} 0.0 0.0229 0 {} 0 0 0
58 {} 7.83060 0.03327 0.05867 ++ {0.0} {} {} 3.07057 0.26080 0.37257 ++ {0.0} {} {} 119.47729 0.72936 1.14935 ++ {0.0} {} 0.0 0.0240 0 {} 0 0 0
59 {} 8.35079 0.03279 0.04259 ++ {0.0} {} {} 2.53695 0.19851 0.28359 ++ {0.0} {} {} 119.43887 0.59307 0.80372 ++ {0.0} {} 0.0 0.0173 0 {} 0 0 0
60 {} 8.35137 0.03897 0.09686 ++ {0.0} {} {} 2.16181 0.14454 0.45425 ++ {0.0} {} {} 119.44038 0.65181 1.37055 ++ {0.0} {} 0.0 0.0382 0 {} 0 0 0
61 {} 8.01771 0.05274 0.07534 ++ {0.0} {} {} 2.13092 0.36094 0.51562 ++ {0.0} {} {} 119.37267 0.56432 1.18714 ++ {0.0} {} 0.0 0.0371 0 {} 0 0 0
62 {} 8.41277 0.03894 0.07534 ++ {0.0} {} {} 8.40466 0.14904 0.21291 ++ {0.0} {} {} 119.08289 1.02939 1.97999 ++ {0.0} {} 0.0 0.5014 0 {} 0 0 0
63 {} 8.23305 0.04110 0.44443 ++ {0.0} {} {} 8.22929 0.18218 0.33043 ++ {0.0} {} {} 119.17834 0.75603 1.08005 ++ {0.0} {} 0.0 0.7639 0 {} 0 0 0
64 {} 7.97548 0.04716 0.16144 ++ {0.0} {} {} 7.97136 0.15595 0.22279 ++ {0.0} {} {} 119.08434 1.04921 2.11266 ++ {0.0} {} 0.0 0.7159 0 {} 0 0 0
65 {} 8.23300 0.04164 0.05786 ++ {0.0} {} {} 7.81221 0.10616 0.15955 ++ {0.0} {} {} 119.17876 0.70936 1.08198 ++ {0.0} {} 0.0 0.0227 0 {} 0 0 0
66 {} 7.80519 0.03586 0.23031 ++ {0.0} {} {} 7.80043 0.18211 0.33056 ++ {0.0} {} {} 119.12431 0.76494 1.97999 ++ {0.0} {} 0.0 0.8225 0 {} 0 0 0
67 {} 7.67353 0.03767 0.05381 ++ {0.0} {} {} 7.82177 0.05425 0.01927 ++ {0.0} {} {} 119.18958 0.83069 0.13632 ++ {0.0} {} 0.0 0.0061 0 {} 0 0 0
68 {} 7.79730 0.02603 0.03251 ++ {0.0} {} {} 7.46620 0.22262 0.24417 ++ {0.0} {} {} 119.06213 0.59663 0.74567 ++ {0.0} {} 0.0 0.0151 0 {} 0 0 0
69 {} 8.23353 0.04072 0.08567 ++ {0.0} {} {} 4.14661 0.18647 0.35862 ++ {0.0} {} {} 119.19545 0.75123 1.44988 ++ {0.0} {} 0.0 0.0429 0 {} 0 0 0
70 {} 7.97568 0.04545 0.07948 ++ {0.0} {} {} 4.13886 0.13074 0.41091 ++ {0.0} {} {} 119.12403 0.83558 1.41260 ++ {0.0} {} 0.0 0.0337 0 {} 0 0 0
71 {} 7.80064 0.04031 0.06835 ++ {0.0} {} {} 4.04658 0.08432 0.33928 ++ {0.0} {} {} 119.09107 0.69447 1.30262 ++ {0.0} {} 0.0 0.0314 0 {} 0 0 0
72 {} 7.97766 0.04005 0.09286 ++ {0.0} {} {} 2.15991 0.36094 0.51562 ++ {0.0} {} {} 119.02257 0.71623 1.38976 ++ {0.0} {} 0.0 0.0495 0 {} 0 0 0
73 {} 7.80197 0.03650 0.06392 ++ {0.0} {} {} 2.13175 0.36094 0.51562 ++ {0.0} {} {} 119.10416 0.69994 1.34972 ++ {0.0} {} 0.0 0.0438 0 {} 0 0 0
74 {} 8.23270 0.04173 0.08536 ++ {0.0} {} {} 2.06446 0.14002 0.44008 ++ {0.0} {} {} 119.18735 0.73483 1.49283 ++ {0.0} {} 0.0 0.0624 0 {} 0 0 0
75 {} 7.87992 0.03646 0.09686 ++ {0.0} {} {} 7.87825 0.18122 0.31722 ++ {0.0} {} {} 118.81168 0.75274 1.97999 ++ {0.0} {} 0.0 0.5456 0 {} 0 0 0
76 {} 7.88019 0.03733 0.06670 ++ {0.0} {} {} 4.08904 0.23143 0.33537 ++ {0.0} {} {} 118.81592 0.77315 1.26764 ++ {0.0} {} 0.0 0.0271 0 {} 0 0 0
77 {} 8.40574 0.03418 0.05077 ++ {0.0} {} {} 3.85935 0.18123 0.31601 ++ {0.0} {} {} 118.93562 0.58067 0.83442 ++ {0.0} {} 0.0 0.0187 0 {} 0 0 0
78 {} 7.88140 0.03866 0.09631 ++ {0.0} {} {} 2.24247 0.12766 0.40120 ++ {0.0} {} {} 118.80403 0.73306 1.24602 ++ {0.0} {} 0.0 0.0403 0 {} 0 0 0
79 {} 7.56379 0.04134 0.02288 ++ {0.0} {} {} 8.36956 0.16361 0.08596 ++ {0.0} {} {} 117.34320 0.78339 0.41277 ++ {0.0} {} 0.0 0.0077 0 {} 0 0 0
80 {} 8.26009 0.03731 0.16037 ++ {0.0} {} {} 8.26373 0.13286 0.36630 ++ {0.0} {} {} 117.28815 0.65200 1.56728 ++ {0.0} {} 0.0 0.1713 0 {} 0 0 0
81 {} 8.06965 0.03671 0.23623 ++ {0.0} {} {} 8.06377 0.14133 0.34349 ++ {0.0} {} {} 117.40871 0.67688 0.96698 ++ {0.0} {} 0.0 0.6974 0 {} 0 0 0
82 {} 7.88613 0.03670 0.24254 ++ {0.0} {} {} 7.88111 0.17992 0.32106 ++ {0.0} {} {} 117.35654 0.75492 1.97999 ++ {0.0} {} 0.0 0.4774 0 {} 0 0 0
83 {} 8.25994 0.03495 0.03180 ++ {0.0} {} {} 7.78796 0.15450 0.13451 ++ {0.0} {} {} 117.27778 0.60364 0.52553 ++ {0.0} {} 0.0 0.0100 0 {} 0 0 0
84 {} 7.56465 0.03769 0.09937 ++ {0.0} {} {} 7.55795 0.13502 0.35961 ++ {0.0} {} {} 117.33743 0.73388 1.52883 ++ {0.0} {} 0.0 0.3299 0 {} 0 0 0
85 {} 7.88464 0.03415 0.03723 ++ {0.0} {} {} 4.59169 0.17807 0.19555 ++ {0.0} {} {} 117.36002 0.80473 0.87020 ++ {0.0} {} 0.0 0.0123 0 {} 0 0 0
86 {} 8.06906 0.03286 0.04162 ++ {0.0} {} {} 4.51222 0.19851 0.28359 ++ {0.0} {} {} 117.36007 0.77419 0.99492 ++ {0.0} {} 0.0 0.0159 0 {} 0 0 0
87 {} 7.56546 0.03969 0.04991 ++ {0.0} {} {} 4.35674 0.21864 0.28912 ++ {0.0} {} {} 117.33593 0.74207 0.93673 ++ {0.0} {} 0.0 0.0159 0 {} 0 0 0
88 {} 8.26029 0.04237 0.06031 ++ {0.0} {} {} 4.25076 0.19994 0.28266 ++ {0.0} {} {} 117.28236 0.64399 1.04731 ++ {0.0} {} 0.0 0.0206 0 {} 0 0 0
89 {} 8.07309 0.03396 0.05592 ++ {0.0} {} {} 4.12958 0.12418 0.39028 ++ {0.0} {} {} 117.50935 0.59863 0.98484 ++ {0.0} {} 0.0 0.0214 0 {} 0 0 0
90 {} 7.88691 0.03485 0.02666 ++ {0.0} {} {} 4.08048 0.12796 0.20665 ++ {0.0} {} {} 117.39317 0.75095 0.54251 ++ {0.0} {} 0.0 0.0088 0 {} 0 0 0
91 {} 8.25791 0.03791 0.04231 ++ {0.0} {} {} 3.89054 0.14571 0.34092 ++ {0.0} {} {} 117.24878 0.55638 0.63083 ++ {0.0} {} 0.0 0.0130 0 {} 0 0 0
92 {} 7.88476 0.03522 0.01740 ++ {0.0} {} {} 3.86179 0.06239 0.08109 ++ {0.0} {} {} 117.31742 0.66906 0.39526 ++ {0.0} {} 0.0 0.0080 0 {} 0 0 0
93 {} 8.06911 0.03033 0.04098 ++ {0.0} {} {} 3.25823 0.16655 0.49573 ++ {0.0} {} {} 117.35163 0.71324 0.95892 ++ {0.0} {} 0.0 0.0177 0 {} 0 0 0
94 {} 7.88674 0.03563 0.05337 ++ {0.0} {} {} 3.11081 0.10369 0.35761 ++ {0.0} {} {} 117.34297 0.75464 1.11300 ++ {0.0} {} 0.0 0.0222 0 {} 0 0 0
95 {} 7.56488 0.03634 0.04444 ++ {0.0} {} {} 2.45094 0.13003 0.33498 ++ {0.0} {} {} 117.36240 0.75112 0.92893 ++ {0.0} {} 0.0 0.0151 0 {} 0 0 0
96 {} 8.26069 0.04484 0.03513 ++ {0.0} {} {} 2.16538 0.13152 0.21884 ++ {0.0} {} {} 117.32209 0.70928 0.48976 ++ {0.0} {} 0.0 0.0086 0 {} 0 0 0
97 {} 7.88519 0.02977 0.03591 ++ {0.0} {} {} 2.22344 0.14412 0.37413 ++ {0.0} {} {} 117.37594 0.71921 0.85584 ++ {0.0} {} 0.0 0.0139 0 {} 0 0 0
98 {} 8.07214 0.03234 0.06954 ++ {0.0} {} {} 2.08264 0.15458 0.47864 ++ {0.0} {} {} 117.49371 0.54991 1.14008 ++ {0.0} {} 0.0 0.0366 0 {} 0 0 0
99 {} 7.56573 0.03780 0.05481 ++ {0.0} {} {} 2.01292 0.36094 0.51562 ++ {0.0} {} {} 117.32735 0.69586 1.02314 ++ {0.0} {} 0.0 0.0212 0 {} 0 0 0
100 {} 7.81322 0.04874 0.03759 ++ {0.0} {} {} 7.80874 0.14226 0.09877 ++ {0.0} {} {} 114.50568 1.21221 0.81887 ++ {0.0} {} 0.0 0.0087 0 {} 0 0 0
101 {} 7.44355 0.03177 0.09619 ++ {0.0} {} {} 7.44428 0.18369 0.30250 ++ {0.0} {} {} 114.61828 0.53421 1.50407 ++ {0.0} {} 0.0 0.2290 0 {} 0 0 0
102 {} 7.44132 0.02748 0.01680 ++ {0.0} {} {} 4.34134 0.24198 0.13072 ++ {0.0} {} {} 114.59262 0.53193 0.30685 ++ {0.0} {} 0.0 0.0079 0 {} 0 0 0
103 {} 7.44509 0.03339 0.04867 ++ {0.0} {} {} 1.86252 0.16747 0.49706 ++ {0.0} {} {} 114.62775 0.58109 0.83180 ++ {0.0} {} 0.0 0.0185 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 3 . 2101.411 Hz . . . 4.778 . . 30871 9
2 . . C 13 C-aliphatic . . 9650.181 Hz . . . 43.143 . . 30871 9
3 . . N 15 N 1 . 1400.021 Hz . . . 119.150 . . 30871 9
stop_
save_