Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 31015
_Spectral_peak_list.ID 5
_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 2
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
_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
;
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
H1 C13 N15
PV31_ccctocsy_nnh_S_031821.nv
3002.60205078 9650.18066406 1458.28405762
599.559020996 150.766998291 60.7599983215
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 {} 7.93796 0.01932 0.05197 ++ {0.0} {} {} 74.39242 0.71881 0.83834 ++ {0.0} {} {} 130.80299 1.05100 1.19436 ++ {0.0} {} 4.47510004044 0.0762 0 {} 0 0 0
1 {} 7.90294 0.01578 0.02255 ++ {0.0} {} {} 74.41936 0.86549 0.82720 ++ {0.0} {} {} 130.74434 1.16185 1.11670 ++ {0.0} {} 1.58661735058 0.0529 0 {} 0 0 0
2 {} 7.93689 0.04312 0.05339 ++ {0.0} {} {} 11.89023 0.71881 0.83313 ++ {0.0} {} {} 130.74266 1.07400 1.19552 ++ {0.0} {} 4.5490655899 0.0751 0 {} 0 0 0
3 {} 8.04119 0.10311 0.07846 ++ {0.0} {} {} 74.40490 0.70142 0.52492 ++ {0.0} {} {} 130.07860 0.47752 0.29766 ++ {0.0} {} 1.54551446438 0.0415 0 {} 0 0 0
4 {} 8.04956 0.04078 0.05679 ++ {0.0} {} {} 11.91286 0.71696 0.47246 ++ {0.0} {} {} 130.07036 0.45148 0.24676 ++ {0.0} {} 0.776243686676 0.0393 0 {} 0 0 0
5 {} 8.00709 0.02566 0.03230 ++ {0.0} {} {} 11.89228 0.80172 0.55072 ++ {0.0} {} {} 130.16277 0.43922 0.23650 ++ {0.0} {} 0.784337520599 0.0391 0 {} 0 0 0
6 {} 8.05372 0.03102 0.05335 ++ {0.0} {} {} 55.43195 0.79477 1.36172 ++ {0.0} {} {} 127.33060 0.56607 1.23366 ++ {0.0} {} 8.90421485901 0.2855 0 {} 0 0 0
7 {} 8.05382 0.03027 0.07103 ++ {0.0} {} {} 43.13728 0.76016 1.44558 ++ {0.0} {} {} 127.33649 0.57700 1.41093 ++ {0.0} {} 20.4774036407 0.7469 0 {} 0 0 0
8 {} 8.05408 0.02936 0.05175 ++ {0.0} {} {} 31.13136 0.84297 1.41929 ++ {0.0} {} {} 127.33522 0.56742 1.21121 ++ {0.0} {} 7.5953669548 0.2547 0 {} 0 0 0
9 {} 8.05417 0.02877 0.03590 ++ {0.0} {} {} 26.52486 0.81280 1.08234 ++ {0.0} {} {} 127.32066 0.58750 0.79958 ++ {0.0} {} 2.85020112991 0.0894 0 {} 0 0 0
10 {} 8.03050 0.02844 0.03918 ++ {0.0} {} {} 36.21967 0.77490 1.01909 ++ {0.0} {} {} 126.96633 0.63409 0.90038 ++ {0.0} {} 2.61947154999 0.0899 0 {} 0 0 0
11 {} 8.35577 0.03305 0.00701 ++ {0.0} {} {} 55.65816 0.99062 0.27759 ++ {0.0} {} {} 125.77550 0.52501 0.09136 ++ {0.0} {} 0.106698930264 0.0313 0 {} 0 0 0
12 {} 8.35404 0.03175 0.03777 ++ {0.0} {} {} 32.79511 0.69119 0.83646 ++ {0.0} {} {} 125.77299 0.49202 0.60868 ++ {0.0} {} 1.88790118694 0.0749 0 {} 0 0 0
13 {} 8.23678 0.02705 0.03894 ++ {0.0} {} {} 33.58488 0.83758 1.18448 ++ {0.0} {} {} 125.15282 0.66805 1.01287 ++ {0.0} {} 2.88719201088 0.1060 0 {} 0 0 0
14 {} 6.08465 0.00818 0.00145 ++ {0.0} {} {} 18.19089 0.87313 0.18667 ++ {0.0} {} {} 124.78178 0.69141 0.12246 ++ {0.0} {} 0.0594163648784 0.0313 0 {} 0 0 0
15 {} 8.31925 0.04733 0.00846 ++ {0.0} {} {} 21.47184 0.76813 0.18536 ++ {0.0} {} {} 124.46205 0.55475 0.12357 ++ {0.0} {} 0.123079761863 0.0321 0 {} 0 0 0
16 {} 8.21591 0.05435 0.09607 ++ {0.0} {} {} 30.11891 0.85495 1.31929 ++ {0.0} {} {} 123.55823 0.54054 0.96638 ++ {0.0} {} 10.2578611374 0.1559 0 {} 0 0 0
17 {} 7.74331 0.02616 0.02437 ++ {0.0} {} {} 58.98190 0.74965 0.69796 ++ {0.0} {} {} 122.92351 0.68668 0.63142 ++ {0.0} {} 1.110481143 0.0529 0 {} 0 0 0
18 {} 8.17529 0.04619 0.06453 ++ {0.0} {} {} 56.26073 0.70036 1.09243 ++ {0.0} {} {} 122.90068 0.72297 1.21408 ++ {0.0} {} 7.1442990303 0.1498 0 {} 0 0 0
19 {} 8.03471 0.02104 0.00204 ++ {0.0} {} {} 38.59592 0.79195 0.07548 ++ {0.0} {} {} 122.79510 0.57505 0.04891 ++ {0.0} {} 0.0298326052725 0.0298 0 {} 0 0 0
20 {} 7.74152 0.03492 0.04988 ++ {0.0} {} {} 37.00870 0.65753 0.96244 ++ {0.0} {} {} 122.93343 0.65108 1.05607 ++ {0.0} {} 3.55895543098 0.1146 0 {} 0 0 0
21 {} 8.17360 0.03374 0.06755 ++ {0.0} {} {} 36.10548 0.79835 1.41124 ++ {0.0} {} {} 122.88814 0.70789 1.36666 ++ {0.0} {} 15.9432621002 0.3667 0 {} 0 0 0
22 {} 7.74482 0.03134 0.01793 ++ {0.0} {} {} 28.96156 0.74544 0.35322 ++ {0.0} {} {} 122.97009 0.62156 0.27838 ++ {0.0} {} 0.427976280451 0.0368 0 {} 0 0 0
23 {} 8.37450 0.01694 0.00711 ++ {0.0} {} {} 55.63504 0.86266 0.52390 ++ {0.0} {} {} 122.56240 0.72713 0.30845 ++ {0.0} {} 0.268832862377 0.0363 0 {} 0 0 0
24 {} 8.37313 0.03245 0.04442 ++ {0.0} {} {} 33.64580 0.82574 1.10438 ++ {0.0} {} {} 122.55685 0.73411 1.19246 ++ {0.0} {} 4.24321460724 0.1010 0 {} 0 0 0
25 {} 8.06109 0.03808 0.05616 ++ {0.0} {} {} 56.67676 0.81001 1.23994 ++ {0.0} {} {} 122.12680 0.78815 1.31020 ++ {0.0} {} 7.20209503174 0.1582 0 {} 0 0 0
26 {} 8.06179 0.03880 0.06950 ++ {0.0} {} {} 36.11180 0.81500 1.47322 ++ {0.0} {} {} 122.13466 0.77772 1.47787 ++ {0.0} {} 19.4222583771 0.3757 0 {} 0 0 0
27 {} 8.06129 0.03366 0.03380 ++ {0.0} {} {} 29.89926 0.83848 0.84119 ++ {0.0} {} {} 122.13768 0.86238 0.86636 ++ {0.0} {} 1.57135641575 0.0574 0 {} 0 0 0
28 {} 8.55672 0.03087 0.02844 ++ {0.0} {} {} 39.28333 0.65705 0.60875 ++ {0.0} {} {} 121.89024 0.55138 0.50864 ++ {0.0} {} 1.34071159363 0.0530 0 {} 0 0 0
29 {} 8.30032 0.04759 0.04796 ++ {0.0} {} {} 38.62523 0.80861 0.81401 ++ {0.0} {} {} 121.60828 0.51914 0.52413 ++ {0.0} {} 2.0816655159 0.0577 0 {} 0 0 0
30 {} 8.24584 0.02808 0.02660 ++ {0.0} {} {} 58.48109 0.71048 0.67028 ++ {0.0} {} {} 121.22327 0.49172 0.45876 ++ {0.0} {} 1.19947266579 0.0535 0 {} 0 0 0
31 {} 7.97487 0.02719 0.01837 ++ {0.0} {} {} 57.38795 0.88462 0.67092 ++ {0.0} {} {} 121.31666 0.49234 0.32403 ++ {0.0} {} 0.618708968163 0.0426 0 {} 0 0 0
32 {} 8.28933 0.01420 0.04802 ++ {0.0} {} {} 56.38770 0.86890 1.24596 ++ {0.0} {} {} 121.31681 0.55989 0.86306 ++ {0.0} {} 4.9879283905 0.1152 0 {} 0 0 0
33 {} 8.66481 0.03850 0.04560 ++ {0.0} {} {} 43.09939 0.74949 0.85193 ++ {0.0} {} {} 121.42226 0.74127 0.87569 ++ {0.0} {} 2.35959935188 0.0693 0 {} 0 0 0
34 {} 7.97499 0.02923 0.04292 ++ {0.0} {} {} 36.32847 0.78661 1.12702 ++ {0.0} {} {} 121.31007 0.55409 0.84961 ++ {0.0} {} 3.64943957329 0.1157 0 {} 0 0 0
35 {} 8.63468 0.02618 0.02786 ++ {0.0} {} {} 34.39206 0.79056 0.83370 ++ {0.0} {} {} 121.30387 0.56487 0.60956 ++ {0.0} {} 1.42888343334 0.0620 0 {} 0 0 0
36 {} 8.33534 0.03683 0.05261 ++ {0.0} {} {} 33.68159 0.82672 1.27470 ++ {0.0} {} {} 121.43265 0.67374 1.22377 ++ {0.0} {} 8.09294509888 0.1755 0 {} 0 0 0
37 {} 8.28899 0.04142 0.07515 ++ {0.0} {} {} 33.65611 0.86125 1.45299 ++ {0.0} {} {} 121.31171 0.56815 1.31788 ++ {0.0} {} 17.3373374939 0.3210 0 {} 0 0 0
38 {} 8.24679 0.03683 0.05261 ++ {0.0} {} {} 33.41011 0.87491 1.36464 ++ {0.0} {} {} 121.21520 0.51772 0.99482 ++ {0.0} {} 10.006775856 0.1704 0 {} 0 0 0
39 {} 8.29213 0.02560 0.02291 ++ {0.0} {} {} 28.92516 0.77414 0.70916 ++ {0.0} {} {} 121.32303 0.56719 0.49833 ++ {0.0} {} 0.828891575336 0.0509 0 {} 0 0 0
40 {} 8.24644 0.02447 0.01099 ++ {0.0} {} {} 27.90316 0.79222 0.40567 ++ {0.0} {} {} 121.22369 0.50885 0.19791 ++ {0.0} {} 0.454283893108 0.0355 0 {} 0 0 0
41 {} 8.15289 0.02149 0.02108 ++ {0.0} {} {} 58.43780 0.78056 0.76548 ++ {0.0} {} {} 120.96043 0.57292 0.56002 ++ {0.0} {} 1.06697440147 0.0559 0 {} 0 0 0
42 {} 8.35741 0.04735 0.06764 ++ {0.0} {} {} 56.92085 0.88962 1.19490 ++ {0.0} {} {} 121.01839 0.75337 1.07458 ++ {0.0} {} 6.96478700638 0.0974 0 {} 0 0 0
43 {} 8.49528 0.02667 0.02521 ++ {0.0} {} {} 56.52513 0.69997 0.66593 ++ {0.0} {} {} 121.05685 0.71728 0.68060 ++ {0.0} {} 1.18655884266 0.0543 0 {} 0 0 0
44 {} 8.49308 0.03017 0.05016 ++ {0.0} {} {} 43.12505 0.75709 1.16694 ++ {0.0} {} {} 121.04281 0.70658 1.20995 ++ {0.0} {} 4.80365228653 0.1617 0 {} 0 0 0
45 {} 8.14629 0.02800 0.00456 ++ {0.0} {} {} 41.94877 0.77080 0.16652 ++ {0.0} {} {} 121.10635 0.64786 0.12622 ++ {0.0} {} 0.116125017405 0.0316 0 {} 0 0 0
46 {} 8.30446 0.04386 0.05064 ++ {0.0} {} {} 41.08567 0.80713 0.95676 ++ {0.0} {} {} 120.99151 0.65928 0.80439 ++ {0.0} {} 3.09103417397 0.0733 0 {} 0 0 0
47 {} 7.97829 0.04101 0.05006 ++ {0.0} {} {} 38.32031 0.76896 0.92766 ++ {0.0} {} {} 121.04733 0.71062 0.88954 ++ {0.0} {} 3.24427580833 0.0751 0 {} 0 0 0
48 {} 8.35690 0.03683 0.05261 ++ {0.0} {} {} 36.18622 0.78336 1.31385 ++ {0.0} {} {} 121.04377 0.81672 1.51819 ++ {0.0} {} 14.5175600052 0.2494 0 {} 0 0 0
49 {} 8.15420 0.03218 0.05731 ++ {0.0} {} {} 33.33848 0.84798 1.27511 ++ {0.0} {} {} 120.96393 0.57363 1.05225 ++ {0.0} {} 5.67268228531 0.1446 0 {} 0 0 0
50 {} 8.49653 0.02843 0.01824 ++ {0.0} {} {} 30.43411 0.80261 0.55690 ++ {0.0} {} {} 121.07082 0.67892 0.40842 ++ {0.0} {} 0.587244510651 0.0409 0 {} 0 0 0
51 {} 8.35970 0.01243 0.01573 ++ {0.0} {} {} 29.98018 0.75094 0.29053 ++ {0.0} {} {} 121.02042 0.73708 0.28124 ++ {0.0} {} 0.191580548882 0.0353 0 {} 0 0 0
52 {} 8.31581 0.01404 0.02782 ++ {0.0} {} {} 30.01318 0.71824 0.63765 ++ {0.0} {} {} 120.85911 0.51518 0.45909 ++ {0.0} {} 1.35649204254 0.0515 0 {} 0 0 0
53 {} 8.15377 0.02337 0.01834 ++ {0.0} {} {} 27.88877 0.78571 0.62776 ++ {0.0} {} {} 120.95760 0.51787 0.36895 ++ {0.0} {} 0.613455235958 0.0444 0 {} 0 0 0
54 {} 8.18326 0.02774 0.03154 ++ {0.0} {} {} 60.05127 0.72999 0.83935 ++ {0.0} {} {} 120.75314 0.49357 0.57711 ++ {0.0} {} 1.45546782017 0.0688 0 {} 0 0 0
55 {} 8.77091 0.02819 0.03057 ++ {0.0} {} {} 59.27997 0.72663 0.79721 ++ {0.0} {} {} 120.66213 0.68374 0.75593 ++ {0.0} {} 1.45530593395 0.0637 0 {} 0 0 0
56 {} 8.31375 0.03350 0.05288 ++ {0.0} {} {} 57.10978 0.81760 1.17087 ++ {0.0} {} {} 120.79475 0.67625 1.23754 ++ {0.0} {} 6.5638628006 0.1239 0 {} 0 0 0
57 {} 8.20793 0.02955 0.03094 ++ {0.0} {} {} 55.40410 0.86970 0.91202 ++ {0.0} {} {} 120.62914 0.70880 0.75795 ++ {0.0} {} 2.04413676262 0.0614 0 {} 0 0 0
58 {} 8.11048 0.03166 0.05132 ++ {0.0} {} {} 46.84581 0.80016 1.26366 ++ {0.0} {} {} 120.65424 0.69222 1.18570 ++ {0.0} {} 4.74384689331 0.1559 0 {} 0 0 0
59 {} 8.13390 0.03990 0.06746 ++ {0.0} {} {} 45.49836 0.61614 0.99716 ++ {0.0} {} {} 120.65164 0.69816 1.20942 ++ {0.0} {} 6.24923563004 0.1651 0 {} 0 0 0
60 {} 8.27037 0.05983 0.06581 ++ {0.0} {} {} 45.10162 0.79414 0.85449 ++ {0.0} {} {} 120.74662 0.59064 0.65382 ++ {0.0} {} 3.23108005524 0.0640 0 {} 0 0 0
61 {} 8.20933 0.04383 0.05192 ++ {0.0} {} {} 42.30854 0.72756 0.94061 ++ {0.0} {} {} 120.56870 0.56254 0.75083 ++ {0.0} {} 3.10487508774 0.0859 0 {} 0 0 0
62 {} 8.76746 0.02909 0.05527 ++ {0.0} {} {} 36.28025 0.66392 1.05632 ++ {0.0} {} {} 120.64807 0.66055 1.16163 ++ {0.0} {} 5.05411577225 0.1643 0 {} 0 0 0
63 {} 8.31348 0.03948 0.10692 ++ {0.0} {} {} 36.20887 0.77450 1.37599 ++ {0.0} {} {} 120.80897 0.71790 1.23754 ++ {0.0} {} 22.6167831421 0.2775 0 {} 0 0 0
64 {} 8.18516 0.03063 0.05381 ++ {0.0} {} {} 36.15505 0.83458 1.35977 ++ {0.0} {} {} 120.73812 0.56308 1.15645 ++ {0.0} {} 7.01514148712 0.2004 0 {} 0 0 0
65 {} 8.18451 0.02822 0.03074 ++ {0.0} {} {} 29.16099 0.78145 0.84124 ++ {0.0} {} {} 120.75649 0.55710 0.61960 ++ {0.0} {} 1.51194941998 0.0643 0 {} 0 0 0
66 {} 8.76850 0.02495 0.02421 ++ {0.0} {} {} 28.96117 0.74345 0.72444 ++ {0.0} {} {} 120.65008 0.67396 0.65453 ++ {0.0} {} 1.09223914146 0.0555 0 {} 0 0 0
67 {} 8.21217 0.03347 0.01793 ++ {0.0} {} {} 26.81304 0.64724 0.23465 ++ {0.0} {} {} 120.57513 0.63069 0.21971 ++ {0.0} {} 0.181829214096 0.0346 0 {} 0 0 0
68 {} 8.21305 0.03453 0.03879 ++ {0.0} {} {} 24.70135 0.76274 0.86008 ++ {0.0} {} {} 120.56145 0.57989 0.67092 ++ {0.0} {} 2.13405966759 0.0678 0 {} 0 0 0
69 {} 8.20990 0.02671 0.01962 ++ {0.0} {} {} 23.26818 0.60822 0.40087 ++ {0.0} {} {} 120.54454 0.55480 0.37070 ++ {0.0} {} 0.505522668362 0.0429 0 {} 0 0 0
70 {} 8.07334 0.02246 0.00496 ++ {0.0} {} {} 58.00326 0.71447 0.14541 ++ {0.0} {} {} 119.81757 0.53466 0.10772 ++ {0.0} {} 0.119187273085 0.0318 0 {} 0 0 0
71 {} 8.27728 0.04504 0.05808 ++ {0.0} {} {} 57.36494 0.87577 1.20729 ++ {0.0} {} {} 119.76254 0.50705 0.74135 ++ {0.0} {} 5.23648881912 0.1062 0 {} 0 0 0
72 {} 8.06837 0.03096 0.01975 ++ {0.0} {} {} 41.95998 0.73022 0.33905 ++ {0.0} {} {} 119.88148 0.72408 0.31438 ++ {0.0} {} 0.198365777731 0.0365 0 {} 0 0 0
73 {} 8.27727 0.04833 0.08879 ++ {0.0} {} {} 36.29818 0.68756 1.17596 ++ {0.0} {} {} 119.72999 0.83446 1.71047 ++ {0.0} {} 20.5940151215 0.2357 0 {} 0 0 0
74 {} 8.06995 0.03148 0.02666 ++ {0.0} {} {} 32.57539 0.86241 0.74898 ++ {0.0} {} {} 119.88779 0.80962 0.67901 ++ {0.0} {} 1.27845704556 0.0489 0 {} 0 0 0
75 {} 8.27656 0.04845 0.04078 ++ {0.0} {} {} 29.55138 0.66059 0.47690 ++ {0.0} {} {} 119.77248 0.54137 0.36886 ++ {0.0} {} 1.06664896011 0.0433 0 {} 0 0 0
76 {} 8.07336 0.02476 0.00775 ++ {0.0} {} {} 24.91258 0.77091 0.24731 ++ {0.0} {} {} 119.88132 0.77318 0.20549 ++ {0.0} {} 0.117142662406 0.0329 0 {} 0 0 0
77 {} 7.99963 0.02997 0.02696 ++ {0.0} {} {} 59.25673 0.69835 0.59304 ++ {0.0} {} {} 119.46510 0.59880 0.50069 ++ {0.0} {} 1.26093971729 0.0491 0 {} 0 0 0
78 {} 8.38810 0.02454 0.02773 ++ {0.0} {} {} 58.85423 0.80826 0.90460 ++ {0.0} {} {} 119.63762 0.57092 0.66571 ++ {0.0} {} 1.58797383308 0.0685 0 {} 0 0 0
79 {} 7.21420 0.03737 0.03306 ++ {0.0} {} {} 56.04243 0.76527 0.67136 ++ {0.0} {} {} 119.48857 0.64079 0.55477 ++ {0.0} {} 1.22462379932 0.0504 0 {} 0 0 0
80 {} 7.99790 0.02835 0.03754 ++ {0.0} {} {} 36.46475 0.78963 1.03185 ++ {0.0} {} {} 119.51934 0.71962 0.98038 ++ {0.0} {} 2.47000527382 0.0882 0 {} 0 0 0
81 {} 8.38884 0.03025 0.04903 ++ {0.0} {} {} 35.66950 0.82575 1.28094 ++ {0.0} {} {} 119.64827 0.51133 0.92688 ++ {0.0} {} 6.10073661804 0.1767 0 {} 0 0 0
82 {} 7.21482 0.04323 0.06327 ++ {0.0} {} {} 33.57197 0.79158 1.19697 ++ {0.0} {} {} 119.48456 0.58916 1.02075 ++ {0.0} {} 5.73097467422 0.1354 0 {} 0 0 0
83 {} 7.97347 0.02959 0.02353 ++ {0.0} {} {} 32.27135 0.79150 0.59798 ++ {0.0} {} {} 119.37518 0.52111 0.37548 ++ {0.0} {} 1.11884188652 0.0447 0 {} 0 0 0
84 {} 7.99486 0.02653 0.00636 ++ {0.0} {} {} 29.16195 0.75703 0.19714 ++ {0.0} {} {} 119.46064 0.54670 0.11660 ++ {0.0} {} 0.0616257563233 0.0320 0 {} 0 0 0
85 {} 8.39027 0.02547 0.02087 ++ {0.0} {} {} 28.97692 0.74475 0.61569 ++ {0.0} {} {} 119.63361 0.61300 0.48466 ++ {0.0} {} 0.865552842617 0.0472 0 {} 0 0 0
86 {} 8.30336 0.02582 0.03975 ++ {0.0} {} {} 17.87155 0.87944 1.26813 ++ {0.0} {} {} 119.11230 0.62032 1.03437 ++ {0.0} {} 3.49068069458 0.1234 0 {} 0 0 0
87 {} 8.11027 0.02858 0.00914 ++ {0.0} {} {} 58.92509 0.77689 0.28174 ++ {0.0} {} {} 118.80360 0.64465 0.19866 ++ {0.0} {} 0.15700827539 0.0338 0 {} 0 0 0
88 {} 8.11237 0.02710 0.00342 ++ {0.0} {} {} 41.89403 0.78026 0.12866 ++ {0.0} {} {} 118.79428 0.75274 0.09437 ++ {0.0} {} 0.0607329495251 0.0305 0 {} 0 0 0
89 {} 8.10566 0.02246 0.01340 ++ {0.0} {} {} 32.66191 0.87648 0.63255 ++ {0.0} {} {} 118.78614 0.74668 0.45646 ++ {0.0} {} 0.426476418972 0.0411 0 {} 0 0 0
90 {} 8.10699 0.02252 0.00939 ++ {0.0} {} {} 24.65929 0.79505 0.30668 ++ {0.0} {} {} 118.79192 0.70515 0.21619 ++ {0.0} {} 0.164985954762 0.0337 0 {} 0 0 0
91 {} 7.77796 0.02924 0.04358 ++ {0.0} {} {} 39.17116 0.82457 1.05695 ++ {0.0} {} {} 118.43084 0.69786 1.00813 ++ {0.0} {} 2.87369155884 0.0917 0 {} 0 0 0
92 {} 8.35668 0.02609 0.02703 ++ {0.0} {} {} 36.90359 0.84132 0.86755 ++ {0.0} {} {} 118.48708 0.53613 0.55986 ++ {0.0} {} 1.36483931541 0.0598 0 {} 0 0 0
93 {} 8.49035 0.02783 0.02025 ++ {0.0} {} {} 52.14248 0.83043 0.61861 ++ {0.0} {} {} 117.37935 0.56965 0.36258 ++ {0.0} {} 0.646447956562 0.0419 0 {} 0 0 0
94 {} 8.48993 0.02829 0.04025 ++ {0.0} {} {} 40.53651 0.61515 0.87511 ++ {0.0} {} {} 117.40711 0.53538 0.77166 ++ {0.0} {} 2.76372218132 0.1023 0 {} 0 0 0
95 {} 8.25341 0.02803 0.04339 ++ {0.0} {} {} 30.34011 0.84475 1.30757 ++ {0.0} {} {} 116.77645 0.52135 0.85677 ++ {0.0} {} 4.4101228714 0.1432 0 {} 0 0 0
96 {} 8.82068 0.03797 0.04174 ++ {0.0} {} {} 42.92025 0.76698 0.83419 ++ {0.0} {} {} 116.70202 0.50008 0.56372 ++ {0.0} {} 2.12080049515 0.0655 0 {} 0 0 0
97 {} 8.02126 0.03364 0.04101 ++ {0.0} {} {} 38.24561 0.71452 0.90195 ++ {0.0} {} {} 116.39908 0.49360 0.62963 ++ {0.0} {} 2.46432161331 0.0789 0 {} 0 0 0
98 {} 7.76098 0.02770 0.02534 ++ {0.0} {} {} 58.22686 0.67846 0.61535 ++ {0.0} {} {} 116.15838 0.72087 0.64343 ++ {0.0} {} 1.1353700161 0.0516 0 {} 0 0 0
99 {} 7.46564 0.03173 0.03578 ++ {0.0} {} {} 36.95129 0.82168 0.92044 ++ {0.0} {} {} 116.01770 0.50304 0.57424 ++ {0.0} {} 1.71110343933 0.0665 0 {} 0 0 0
100 {} 7.76039 0.03044 0.04943 ++ {0.0} {} {} 34.11710 0.83655 1.25061 ++ {0.0} {} {} 116.19559 0.62860 1.14359 ++ {0.0} {} 4.46016168594 0.1467 0 {} 0 0 0
101 {} 7.75661 0.02833 0.02239 ++ {0.0} {} {} 27.65888 0.81932 0.66804 ++ {0.0} {} {} 116.19839 0.64557 0.47488 ++ {0.0} {} 0.792973220348 0.0452 0 {} 0 0 0
102 {} 7.40530 0.02479 0.00288 ++ {0.0} {} {} 58.36911 0.79702 0.10557 ++ {0.0} {} {} 110.19454 0.70935 0.07413 ++ {0.0} {} 0.0301387738436 0.0301 0 {} 0 0 0
103 {} 7.40458 0.02358 0.01782 ++ {0.0} {} {} 32.54102 0.75205 0.51873 ++ {0.0} {} {} 110.18943 0.66023 0.43283 ++ {0.0} {} 0.454882264137 0.0425 0 {} 0 0 0
104 {} 8.32537 0.02456 0.01150 ++ {0.0} {} {} 31.94562 0.73387 0.32542 ++ {0.0} {} {} 109.91906 0.53341 0.21827 ++ {0.0} {} 0.25915697217 0.0359 0 {} 0 0 0
105 {} 8.29017 0.02315 0.01439 ++ {0.0} {} {} 32.40221 0.84251 0.59925 ++ {0.0} {} {} 109.09375 0.64440 0.37821 ++ {0.0} {} 0.612625420094 0.0404 0 {} 0 0 0
106 {} 7.39240 0.03683 0.05261 ++ {0.0} {} {} 74.41143 0.81075 0.18865 ++ {0.0} {} {} 107.89835 0.68132 0.11996 ++ {0.0} {} 0.221339091659 0.0313 0 {} 0 0 0
107 {} 7.30283 0.01914 0.01497 ++ {0.0} {} {} 74.40751 0.68270 0.19517 ++ {0.0} {} {} 107.85587 0.70594 0.16089 ++ {0.0} {} 0.089534945786 0.0322 0 {} 0 0 0
108 {} 7.23516 0.04735 0.06764 ++ {0.0} {} {} 74.37349 0.72998 0.20656 ++ {0.0} {} {} 107.86604 0.67392 0.14661 ++ {0.0} {} 0.298793554306 0.0321 0 {} 0 0 0
109 {} 7.28770 0.02630 0.03758 ++ {0.0} {} {} 11.87964 0.71209 0.16391 ++ {0.0} {} {} 107.89713 0.72048 0.13146 ++ {0.0} {} 0.20134191215 0.0314 0 {} 0 0 0
110 {} 7.26021 0.07652 0.10932 ++ {0.0} {} {} 11.84725 0.73830 0.51466 ++ {0.0} {} {} 107.93317 0.68877 0.42998 ++ {0.0} {} 1.88145112991 0.0415 0 {} 0 0 0
111 {} 7.19863 0.02916 0.02117 ++ {0.0} {} {} 11.87719 0.84628 0.28293 ++ {0.0} {} {} 107.95219 0.59748 0.14066 ++ {0.0} {} 0.287069827318 0.0324 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 . 'not observed' 5580.357 Hz . . . 4.787 . . 31015 5
2 . . H 1 H . 'not observed' 7999.600 Hz . . . 4.773 . . 31015 5
3 . . N 15 N . 'not observed' 1945.431 Hz . . . 119.150 . . 31015 5
stop_
save_