Content for NMR-STAR saveframe, "spectral_peak_list_6"
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 30869
_Spectral_peak_list.ID 6
_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 6
_Spectral_peak_list.Experiment_name '2D 1H-15N HSQC'
_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
;
2D 1H-15N HSQC;
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 test
_Spectral_peak_list.Text_data
;
label dataset sw sf
H1 C13 N15
cbca_co_nh_S.nv
3002.60205078 9649.47851563 1800.0
599.619018555 150.779998779 60.7659988403
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 {} 8.09900 0.02630 0.03757 ++ {0.0} {} {} 31.07835 1.05174 1.79307 ++ {0.0} {} {} 127.00444 0.66447 1.45146 ++ {0.0} {} 0.0 0.5070 0 {} 0 0 0
1 {} 7.97685 0.03682 0.05260 ++ {0.0} {} {} 31.14151 1.01295 0.27636 ++ {0.0} {} {} 126.99624 0.77322 0.21095 ++ {0.0} {} 0.0 0.0580 0 {} 0 0 0
2 {} 8.45938 0.02014 0.00263 ++ {0.0} {} {} 55.87719 0.74323 0.07618 ++ {0.0} {} {} 126.78297 0.63008 0.06458 ++ {0.0} {} 0.0 0.0528 0 {} 0 0 0
3 {} 8.05438 0.03200 0.08982 ++ {0.0} {} {} 55.97227 1.07341 1.94279 ++ {0.0} {} {} 126.75039 0.65866 1.79913 ++ {0.0} {} 0.0 5.9102 0 {} 0 0 0
4 {} 7.97373 0.04556 0.05035 ++ {0.0} {} {} 55.96072 0.85810 0.92779 ++ {0.0} {} {} 126.79561 0.61663 0.66670 ++ {0.0} {} 0.0 0.1090 0 {} 0 0 0
5 {} 7.89090 0.03911 0.04784 ++ {0.0} {} {} 56.01311 1.10165 1.36116 ++ {0.0} {} {} 126.78897 0.63100 0.76578 ++ {0.0} {} 0.0 0.1274 0 {} 0 0 0
6 {} 7.64858 0.02939 0.02743 ++ {0.0} {} {} 55.95331 0.90602 0.82991 ++ {0.0} {} {} 126.78892 0.61411 0.56253 ++ {0.0} {} 0.0 0.0924 0 {} 0 0 0
7 {} 8.05430 0.03205 0.08531 ++ {0.0} {} {} 31.16888 0.86979 1.90072 ++ {0.0} {} {} 126.74899 0.65914 1.77416 ++ {0.0} {} 0.0 3.1237 0 {} 0 0 0
8 {} 7.89385 0.03115 0.01646 ++ {0.0} {} {} 31.12851 1.20756 0.60059 ++ {0.0} {} {} 126.77974 0.61803 0.31169 ++ {0.0} {} 0.0 0.0670 0 {} 0 0 0
9 {} 8.15880 0.04930 0.02230 ++ {0.0} {} {} 58.09353 1.06575 0.47183 ++ {0.0} {} {} 122.84830 0.83414 0.36518 ++ {0.0} {} 0.0 0.0641 0 {} 0 0 0
10 {} 8.42809 0.05636 0.19792 ++ {0.0} {} {} 55.74606 0.75679 1.72795 ++ {0.0} {} {} 122.88638 0.73687 1.57841 ++ {0.0} {} 0.0 0.6672 0 {} 0 0 0
11 {} 8.32667 0.04734 0.06763 ++ {0.0} {} {} 55.78511 0.72583 0.94624 ++ {0.0} {} {} 123.06451 0.71144 0.92747 ++ {0.0} {} 0.0 0.1438 0 {} 0 0 0
12 {} 8.42756 0.05596 0.15181 ++ {0.0} {} {} 29.56635 1.07060 1.78781 ++ {0.0} {} {} 122.88340 0.73268 1.48370 ++ {0.0} {} 0.0 0.4182 0 {} 0 0 0
13 {} 8.34684 0.03682 0.05260 ++ {0.0} {} {} 29.52324 1.08227 0.78989 ++ {0.0} {} {} 122.98099 0.86363 0.63032 ++ {0.0} {} 0.0 0.0789 0 {} 0 0 0
14 {} 8.06822 0.03397 0.08323 ++ {0.0} {} {} 59.00539 1.06182 1.86053 ++ {0.0} {} {} 122.26099 0.55114 1.30931 ++ {0.0} {} 0.0 1.7920 0 {} 0 0 0
15 {} 8.06826 0.03350 0.06780 ++ {0.0} {} {} 28.45021 0.85156 1.88152 ++ {0.0} {} {} 122.26106 0.55345 1.10530 ++ {0.0} {} 0.0 0.7634 0 {} 0 0 0
16 {} 8.80003 0.03211 0.10361 ++ {0.0} {} {} 58.83464 0.73881 2.05498 ++ {0.0} {} {} 121.94666 0.71112 1.67770 ++ {0.0} {} 0.0 2.3408 0 {} 0 0 0
17 {} 8.80016 0.03222 0.07200 ++ {0.0} {} {} 29.84674 0.72219 1.75710 ++ {0.0} {} {} 121.94714 0.70693 1.59235 ++ {0.0} {} 0.0 0.8419 0 {} 0 0 0
18 {} 8.61337 0.03249 0.09739 ++ {0.0} {} {} 60.40475 0.78992 1.97751 ++ {0.0} {} {} 121.33894 0.55317 1.32687 ++ {0.0} {} 0.0 1.7865 0 {} 0 0 0
19 {} 8.54303 0.02687 0.04332 ++ {0.0} {} {} 60.15447 0.95553 0.64320 ++ {0.0} {} {} 121.53532 0.91412 0.61534 ++ {0.0} {} 0.0 0.0755 0 {} 0 0 0
20 {} 8.23737 0.04930 0.01903 ++ {0.0} {} {} 59.83251 0.72119 0.09223 ++ {0.0} {} {} 121.42532 0.73952 0.09457 ++ {0.0} {} 0.0 0.0535 0 {} 0 0 0
21 {} 8.54111 0.03351 0.11678 ++ {0.0} {} {} 57.11451 1.07224 1.83472 ++ {0.0} {} {} 121.65023 0.64915 1.71235 ++ {0.0} {} 0.0 1.9434 0 {} 0 0 0
22 {} 8.54120 0.03129 0.08064 ++ {0.0} {} {} 36.59610 1.05757 1.93777 ++ {0.0} {} {} 121.65250 0.64357 1.65718 ++ {0.0} {} 0.0 1.2238 0 {} 0 0 0
23 {} 8.61343 0.03244 0.08079 ++ {0.0} {} {} 35.23293 0.78307 1.92505 ++ {0.0} {} {} 121.33738 0.55087 1.21220 ++ {0.0} {} 0.0 1.1384 0 {} 0 0 0
24 {} 8.42010 0.03822 0.01928 ++ {0.0} {} {} 33.26823 0.77132 0.28859 ++ {0.0} {} {} 121.60199 0.71325 0.26686 ++ {0.0} {} 0.0 0.0616 0 {} 0 0 0
25 {} 8.31686 0.03012 0.07046 ++ {0.0} {} {} 59.77621 0.73099 1.84490 ++ {0.0} {} {} 121.25957 0.95428 2.02943 ++ {0.0} {} 0.0 1.5277 0 {} 0 0 0
26 {} 7.86825 0.03292 0.09531 ++ {0.0} {} {} 59.12931 1.05653 1.82604 ++ {0.0} {} {} 121.14042 0.70874 1.72501 ++ {0.0} {} 0.0 2.7020 0 {} 0 0 0
27 {} 7.78283 0.03866 0.02402 ++ {0.0} {} {} 59.13422 1.03751 0.61155 ++ {0.0} {} {} 121.20877 0.69861 0.41179 ++ {0.0} {} 0.0 0.0710 0 {} 0 0 0
28 {} 7.70705 0.03686 0.03360 ++ {0.0} {} {} 59.13897 1.02378 0.92816 ++ {0.0} {} {} 121.05195 1.13348 1.04576 ++ {0.0} {} 0.0 0.0916 0 {} 0 0 0
29 {} 8.37008 0.06922 0.11003 ++ {0.0} {} {} 56.85614 0.95470 1.50871 ++ {0.0} {} {} 121.00605 1.33067 1.80732 ++ {0.0} {} 0.0 0.1880 0 {} 0 0 0
30 {} 8.60021 0.07286 0.19634 ++ {0.0} {} {} 56.01109 0.98177 1.78064 ++ {0.0} {} {} 121.09309 0.78542 1.48515 ++ {0.0} {} 0.0 0.4296 0 {} 0 0 0
31 {} 8.18995 0.08231 0.10559 ++ {0.0} {} {} 56.24880 0.94156 1.07748 ++ {0.0} {} {} 121.19534 1.12783 1.44667 ++ {0.0} {} 0.0 0.1171 0 {} 0 0 0
32 {} 8.60402 0.07114 0.10170 ++ {0.0} {} {} 33.10965 1.06999 1.39844 ++ {0.0} {} {} 121.08746 0.75881 1.08720 ++ {0.0} {} 0.0 0.1658 0 {} 0 0 0
33 {} 8.31740 0.03566 0.07464 ++ {0.0} {} {} 30.16220 0.90690 1.84866 ++ {0.0} {} {} 121.23407 0.95908 1.97374 ++ {0.0} {} 0.0 0.6894 0 {} 0 0 0
34 {} 7.86834 0.03258 0.07418 ++ {0.0} {} {} 28.40320 0.78273 1.91381 ++ {0.0} {} {} 121.13864 0.72522 1.69623 ++ {0.0} {} 0.0 1.1965 0 {} 0 0 0
35 {} 8.11055 0.03170 0.08962 ++ {0.0} {} {} 59.09988 1.04519 1.77202 ++ {0.0} {} {} 120.63390 0.77969 1.81848 ++ {0.0} {} 0.0 2.7095 0 {} 0 0 0
36 {} 8.27100 0.05738 0.08198 ++ {0.0} {} {} 56.60064 1.41495 1.48453 ++ {0.0} {} {} 120.54953 1.31567 1.42629 ++ {0.0} {} 0.0 0.1076 0 {} 0 0 0
37 {} 8.16410 0.05779 0.17317 ++ {0.0} {} {} 45.46541 0.88817 1.84644 ++ {0.0} {} {} 120.60747 0.80853 1.54266 ++ {0.0} {} 0.0 0.4907 0 {} 0 0 0
38 {} 8.11100 0.03121 0.07135 ++ {0.0} {} {} 28.47380 1.10058 1.94059 ++ {0.0} {} {} 120.61869 0.83018 1.72742 ++ {0.0} {} 0.0 1.2150 0 {} 0 0 0
39 {} 8.28091 0.03237 0.18751 ++ {0.0} {} {} 59.98663 1.06904 1.88996 ++ {0.0} {} {} 119.96822 0.57524 1.62368 ++ {0.0} {} 0.0 1.9162 0 {} 0 0 0
40 {} 8.23369 0.04734 0.06763 ++ {0.0} {} {} 56.54619 1.40184 1.49046 ++ {0.0} {} {} 120.28873 0.89224 0.96500 ++ {0.0} {} 0.0 0.1090 0 {} 0 0 0
41 {} 8.11925 0.04987 0.07580 ++ {0.0} {} {} 56.40829 0.97649 1.33266 ++ {0.0} {} {} 120.14630 0.85251 1.18599 ++ {0.0} {} 0.0 0.1538 0 {} 0 0 0
42 {} 8.52503 0.04524 0.12567 ++ {0.0} {} {} 54.64238 0.92423 1.81955 ++ {0.0} {} {} 120.19996 0.73268 1.60849 ++ {0.0} {} 0.0 0.8764 0 {} 0 0 0
43 {} 8.37861 0.03204 0.02153 ++ {0.0} {} {} 45.61593 0.98436 0.62661 ++ {0.0} {} {} 120.15513 0.81886 0.52126 ++ {0.0} {} 0.0 0.0735 0 {} 0 0 0
44 {} 7.96860 0.03206 0.22183 ++ {0.0} {} {} 45.63435 1.06934 1.87257 ++ {0.0} {} {} 120.15316 0.79967 1.73502 ++ {0.0} {} 0.0 5.8756 0 {} 0 0 0
45 {} 7.88743 0.02320 0.05643 ++ {0.0} {} {} 45.64185 0.96389 1.13849 ++ {0.0} {} {} 120.25014 0.64585 0.75733 ++ {0.0} {} 0.0 0.1210 0 {} 0 0 0
46 {} 7.80527 0.03707 0.04374 ++ {0.0} {} {} 45.61699 0.99543 1.19696 ++ {0.0} {} {} 120.21439 0.67540 0.80191 ++ {0.0} {} 0.0 0.1232 0 {} 0 0 0
47 {} 7.56167 0.03491 0.03280 ++ {0.0} {} {} 45.61686 0.99984 0.90190 ++ {0.0} {} {} 120.15974 0.82582 0.74493 ++ {0.0} {} 0.0 0.0912 0 {} 0 0 0
48 {} 8.52513 0.04448 0.09824 ++ {0.0} {} {} 29.85321 0.71763 1.52846 ++ {0.0} {} {} 120.20049 0.72509 1.50416 ++ {0.0} {} 0.0 0.4458 0 {} 0 0 0
49 {} 8.28104 0.03278 0.08168 ++ {0.0} {} {} 29.73503 0.78883 1.90767 ++ {0.0} {} {} 119.97499 0.58645 1.46278 ++ {0.0} {} 0.0 0.8920 0 {} 0 0 0
50 {} 8.57866 0.03785 0.02521 ++ {0.0} {} {} 59.72055 0.94368 0.63343 ++ {0.0} {} {} 119.63443 0.87257 0.58570 ++ {0.0} {} 0.0 0.0754 0 {} 0 0 0
51 {} 8.41545 0.03300 0.08983 ++ {0.0} {} {} 59.78584 0.73128 1.91263 ++ {0.0} {} {} 119.67920 0.80164 1.70778 ++ {0.0} {} 0.0 2.1238 0 {} 0 0 0
52 {} 8.03073 0.04038 0.15781 ++ {0.0} {} {} 58.98732 1.09700 1.94253 ++ {0.0} {} {} 119.63155 0.72593 1.73085 ++ {0.0} {} 0.0 2.5313 0 {} 0 0 0
53 {} 8.00783 0.03548 0.08788 ++ {0.0} {} {} 58.79948 0.71694 1.84265 ++ {0.0} {} {} 119.57519 0.63028 1.65365 ++ {0.0} {} 0.0 2.5026 0 {} 0 0 0
54 {} 8.14556 0.04342 0.01186 ++ {0.0} {} {} 53.21772 0.44568 0.10006 ++ {0.0} {} {} 119.56403 0.69576 0.15620 ++ {0.0} {} 0.0 0.0564 0 {} 0 0 0
55 {} 8.15296 0.02903 0.08490 ++ {0.0} {} {} 28.43170 0.82864 1.18377 ++ {0.0} {} {} 119.75149 0.72403 1.68745 ++ {0.0} {} 0.0 1.1331 0 {} 0 0 0
56 {} 8.41543 0.03226 0.07134 ++ {0.0} {} {} 27.70750 0.80770 1.89969 ++ {0.0} {} {} 119.67845 0.79016 1.63640 ++ {0.0} {} 0.0 1.0321 0 {} 0 0 0
57 {} 8.13230 0.03296 0.15781 ++ {0.0} {} {} 59.36353 1.00700 1.43857 ++ {0.0} {} {} 119.26543 0.76798 1.78160 ++ {0.0} {} 0.0 4.5382 0 {} 0 0 0
58 {} 7.90248 0.03583 0.08266 ++ {0.0} {} {} 59.76722 0.75363 1.97468 ++ {0.0} {} {} 119.28122 0.89082 1.78094 ++ {0.0} {} 0.0 2.2366 0 {} 0 0 0
59 {} 7.72950 0.04737 0.04681 ++ {0.0} {} {} 59.57283 1.23079 1.20942 ++ {0.0} {} {} 119.32101 0.65346 0.63944 ++ {0.0} {} 0.0 0.0980 0 {} 0 0 0
60 {} 7.65561 0.02695 0.04425 ++ {0.0} {} {} 59.67300 1.40355 0.67220 ++ {0.0} {} {} 119.21273 0.98330 0.52166 ++ {0.0} {} 0.0 0.0679 0 {} 0 0 0
61 {} 7.48916 0.03309 0.08353 ++ {0.0} {} {} 59.77015 0.73310 1.87593 ++ {0.0} {} {} 119.16120 0.69561 1.67775 ++ {0.0} {} 0.0 2.1402 0 {} 0 0 0
62 {} 8.53785 0.06571 0.01830 ++ {0.0} {} {} 59.21400 1.00003 0.42390 ++ {0.0} {} {} 119.27250 0.84371 0.35764 ++ {0.0} {} 0.0 0.0635 0 {} 0 0 0
63 {} 8.13388 0.03340 0.08147 ++ {0.0} {} {} 38.94433 0.44799 2.05367 ++ {0.0} {} {} 119.17772 0.72566 1.63358 ++ {0.0} {} 0.0 1.0932 0 {} 0 0 0
64 {} 8.13631 0.03406 0.07697 ++ {0.0} {} {} 30.15037 1.08680 1.92577 ++ {0.0} {} {} 119.26254 0.75490 1.63116 ++ {0.0} {} 0.0 0.9577 0 {} 0 0 0
65 {} 7.90294 0.03422 0.11272 ++ {0.0} {} {} 29.17066 0.88788 1.89188 ++ {0.0} {} {} 119.29191 0.73025 1.69084 ++ {0.0} {} 0.0 1.0782 0 {} 0 0 0
66 {} 7.48937 0.03305 0.07259 ++ {0.0} {} {} 29.01579 0.97898 1.92310 ++ {0.0} {} {} 119.16276 0.69981 1.62766 ++ {0.0} {} 0.0 1.0563 0 {} 0 0 0
67 {} 8.53009 0.03663 0.09648 ++ {0.0} {} {} 65.38461 0.76483 1.98756 ++ {0.0} {} {} 118.74357 0.79553 1.67980 ++ {0.0} {} 0.0 1.7010 0 {} 0 0 0
68 {} 8.38390 0.03033 0.07070 ++ {0.0} {} {} 60.47416 0.88863 1.89670 ++ {0.0} {} {} 118.77370 0.79394 1.69548 ++ {0.0} {} 0.0 1.9413 0 {} 0 0 0
69 {} 7.86229 0.03455 0.14212 ++ {0.0} {} {} 59.60547 1.07447 1.53495 ++ {0.0} {} {} 118.73497 0.78505 1.72754 ++ {0.0} {} 0.0 2.7616 0 {} 0 0 0
70 {} 8.26162 0.03501 0.18787 ++ {0.0} {} {} 58.80765 0.71572 1.84423 ++ {0.0} {} {} 118.87120 0.65239 1.69570 ++ {0.0} {} 0.0 1.4260 0 {} 0 0 0
71 {} 7.82214 0.03347 0.08331 ++ {0.0} {} {} 58.66141 0.87780 1.87298 ++ {0.0} {} {} 118.79728 0.82675 1.71853 ++ {0.0} {} 0.0 2.4819 0 {} 0 0 0
72 {} 8.01667 0.03031 0.07176 ++ {0.0} {} {} 56.96937 0.91295 1.30421 ++ {0.0} {} {} 118.84647 0.66813 1.69522 ++ {0.0} {} 0.0 2.3825 0 {} 0 0 0
73 {} 8.38386 0.03045 0.06900 ++ {0.0} {} {} 36.59060 1.06304 1.93777 ++ {0.0} {} {} 118.77203 0.78817 1.64471 ++ {0.0} {} 0.0 1.1984 0 {} 0 0 0
74 {} 8.10961 0.03253 0.06956 ++ {0.0} {} {} 32.45305 0.85092 1.89217 ++ {0.0} {} {} 118.98848 0.58062 1.54296 ++ {0.0} {} 0.0 1.0720 0 {} 0 0 0
75 {} 8.52942 0.03904 0.11360 ++ {0.0} {} {} 32.17766 0.86388 1.85877 ++ {0.0} {} {} 118.74825 0.80318 1.63058 ++ {0.0} {} 0.0 0.8044 0 {} 0 0 0
76 {} 7.86217 0.03282 0.07006 ++ {0.0} {} {} 29.87383 0.77041 1.89089 ++ {0.0} {} {} 118.73439 0.78235 1.65800 ++ {0.0} {} 0.0 1.0559 0 {} 0 0 0
77 {} 8.01620 0.03372 0.17576 ++ {0.0} {} {} 29.04058 1.11017 1.61403 ++ {0.0} {} {} 118.94312 0.69443 1.80466 ++ {0.0} {} 0.0 1.2503 0 {} 0 0 0
78 {} 7.82227 0.03492 0.07493 ++ {0.0} {} {} 28.98389 0.91020 1.87024 ++ {0.0} {} {} 118.80390 0.75506 1.67433 ++ {0.0} {} 0.0 1.1564 0 {} 0 0 0
79 {} 8.26182 0.03487 0.07913 ++ {0.0} {} {} 28.60483 1.03235 1.90473 ++ {0.0} {} {} 118.86758 0.64555 1.60670 ++ {0.0} {} 0.0 0.8056 0 {} 0 0 0
80 {} 7.97905 0.03455 0.09694 ++ {0.0} {} {} 58.23729 0.75991 1.91092 ++ {0.0} {} {} 118.28791 0.79717 1.72284 ++ {0.0} {} 0.0 2.6409 0 {} 0 0 0
81 {} 7.97887 0.03505 0.08492 ++ {0.0} {} {} 29.79273 0.73211 1.87460 ++ {0.0} {} {} 118.28905 0.81375 1.70536 ++ {0.0} {} 0.0 1.2147 0 {} 0 0 0
82 {} 8.76559 0.04394 0.13062 ++ {0.0} {} {} 65.73026 0.77743 1.83816 ++ {0.0} {} {} 117.82052 0.78030 1.59276 ++ {0.0} {} 0.0 0.7923 0 {} 0 0 0
83 {} 8.27657 0.03484 0.11482 ++ {0.0} {} {} 62.40726 0.78451 1.95938 ++ {0.0} {} {} 117.89350 0.72045 1.68836 ++ {0.0} {} 0.0 1.7780 0 {} 0 0 0
84 {} 8.27686 0.02823 0.00756 ++ {0.0} {} {} 54.48466 0.72487 0.17865 ++ {0.0} {} {} 117.88265 0.71472 0.17615 ++ {0.0} {} 0.0 0.0571 0 {} 0 0 0
85 {} 8.27613 0.03015 0.06633 ++ {0.0} {} {} 39.17184 0.86394 1.83330 ++ {0.0} {} {} 117.89714 0.71509 1.58177 ++ {0.0} {} 0.0 0.6182 0 {} 0 0 0
86 {} 8.76534 0.04549 0.08970 ++ {0.0} {} {} 32.09849 1.05364 1.72548 ++ {0.0} {} {} 117.81766 0.78871 1.43954 ++ {0.0} {} 0.0 0.3326 0 {} 0 0 0
87 {} 8.15258 0.03130 0.06763 ++ {0.0} {} {} 60.10589 1.09798 1.86779 ++ {0.0} {} {} 117.56696 0.59196 1.75258 ++ {0.0} {} 0.0 2.3168 0 {} 0 0 0
88 {} 8.10985 0.03414 0.08266 ++ {0.0} {} {} 59.44516 0.85290 1.96432 ++ {0.0} {} {} 117.44979 0.68549 1.68446 ++ {0.0} {} 0.0 2.5303 0 {} 0 0 0
89 {} 8.10969 0.03326 0.08928 ++ {0.0} {} {} 30.05672 1.06068 1.93209 ++ {0.0} {} {} 117.45065 0.69191 1.65815 ++ {0.0} {} 0.0 1.1254 0 {} 0 0 0
90 {} 8.15269 0.03772 0.05260 ++ {0.0} {} {} 29.41431 0.84764 1.99327 ++ {0.0} {} {} 117.56992 0.59449 1.51360 ++ {0.0} {} 0.0 0.8318 0 {} 0 0 0
91 {} 7.98172 0.03175 0.09460 ++ {0.0} {} {} 59.57187 1.05636 1.68769 ++ {0.0} {} {} 116.40645 0.74394 1.69523 ++ {0.0} {} 0.0 2.7983 0 {} 0 0 0
92 {} 7.63323 0.03805 0.11474 ++ {0.0} {} {} 57.57232 1.05828 1.69416 ++ {0.0} {} {} 116.33340 0.61554 1.59066 ++ {0.0} {} 0.0 2.1581 0 {} 0 0 0
93 {} 7.63305 0.03785 0.10204 ++ {0.0} {} {} 30.20257 0.82667 1.91960 ++ {0.0} {} {} 116.32728 0.60817 1.47571 ++ {0.0} {} 0.0 1.0758 0 {} 0 0 0
94 {} 7.98191 0.03181 0.07768 ++ {0.0} {} {} 29.36638 0.73375 1.83482 ++ {0.0} {} {} 116.40496 0.75522 1.62416 ++ {0.0} {} 0.0 0.9930 0 {} 0 0 0
95 {} 7.38682 0.04475 0.06445 ++ {0.0} {} {} 57.77028 1.12939 0.60542 ++ {0.0} {} {} 116.08347 0.95121 0.51266 ++ {0.0} {} 0.0 0.0685 0 {} 0 0 0
96 {} 7.52139 0.03411 0.11757 ++ {0.0} {} {} 57.10330 1.20074 1.97453 ++ {0.0} {} {} 116.04135 0.72839 1.70783 ++ {0.0} {} 0.0 2.2788 0 {} 0 0 0
97 {} 8.30608 0.03592 0.10241 ++ {0.0} {} {} 56.39663 0.79209 2.01217 ++ {0.0} {} {} 116.16382 0.59934 1.72756 ++ {0.0} {} 0.0 1.9143 0 {} 0 0 0
98 {} 7.52101 0.03276 0.08616 ++ {0.0} {} {} 37.21496 0.80186 1.93040 ++ {0.0} {} {} 116.04340 0.71982 1.67186 ++ {0.0} {} 0.0 1.3522 0 {} 0 0 0
99 {} 8.30597 0.03656 0.09006 ++ {0.0} {} {} 30.28797 0.73418 1.86795 ++ {0.0} {} {} 116.16544 0.59784 1.63011 ++ {0.0} {} 0.0 0.9852 0 {} 0 0 0
100 {} 7.54652 0.03364 0.08868 ++ {0.0} {} {} 57.94775 0.86697 1.97705 ++ {0.0} {} {} 115.67563 0.61604 1.73189 ++ {0.0} {} 0.0 2.2682 0 {} 0 0 0
101 {} 7.54675 0.03337 0.07842 ++ {0.0} {} {} 28.79578 0.72423 1.82941 ++ {0.0} {} {} 115.66954 0.61636 1.64139 ++ {0.0} {} 0.0 1.0526 0 {} 0 0 0
102 {} 7.65958 0.03019 0.07602 ++ {0.0} {} {} 34.14335 0.93296 1.71265 ++ {0.0} {} {} 112.07307 0.61318 1.07233 ++ {0.0} {} 0.0 0.3258 0 {} 0 0 0
103 {} 7.40754 0.02398 0.04229 ++ {0.0} {} {} 34.01377 0.96332 1.78715 ++ {0.0} {} {} 112.17247 0.70004 1.42324 ++ {0.0} {} 0.0 0.4268 0 {} 0 0 0
104 {} 7.40718 0.02401 0.03021 ++ {0.0} {} {} 30.33950 0.76971 1.01521 ++ {0.0} {} {} 112.17448 0.73065 0.96368 ++ {0.0} {} 0.0 0.1471 0 {} 0 0 0
105 {} 7.65975 0.02805 0.03175 ++ {0.0} {} {} 28.60476 1.07844 1.25593 ++ {0.0} {} {} 112.05953 0.64105 0.75118 ++ {0.0} {} 0.0 0.1209 0 {} 0 0 0
106 {} 7.53084 0.04157 0.09467 ++ {0.0} {} {} 34.18451 1.00972 2.05001 ++ {0.0} {} {} 111.48942 1.01231 2.01835 ++ {0.0} {} 0.0 1.0174 0 {} 0 0 0
107 {} 7.58347 0.02936 0.03571 ++ {0.0} {} {} 30.21460 0.81201 1.02630 ++ {0.0} {} {} 111.16167 0.68165 0.86154 ++ {0.0} {} 0.0 0.1361 0 {} 0 0 0
108 {} 7.54277 0.05149 0.09003 ++ {0.0} {} {} 28.59628 1.33443 2.03058 ++ {0.0} {} {} 111.40562 1.01166 1.67156 ++ {0.0} {} 0.0 0.3527 0 {} 0 0 0
109 {} 8.49633 0.05386 0.06175 ++ {0.0} {} {} 56.20844 0.76469 0.88225 ++ {0.0} {} {} 110.39323 0.77300 0.89183 ++ {0.0} {} 0.0 0.1183 0 {} 0 0 0
110 {} 7.38603 0.02672 0.04971 ++ {0.0} {} {} 34.10756 1.02146 1.80142 ++ {0.0} {} {} 110.54402 0.67721 1.38764 ++ {0.0} {} 0.0 0.4429 0 {} 0 0 0
111 {} 8.49828 0.04879 0.03122 ++ {0.0} {} {} 29.48135 0.92533 0.49624 ++ {0.0} {} {} 110.42339 0.82981 0.44502 ++ {0.0} {} 0.0 0.0684 0 {} 0 0 0
112 {} 7.38540 0.02733 0.03625 ++ {0.0} {} {} 28.77087 0.74298 1.03603 ++ {0.0} {} {} 110.54047 0.70156 0.97827 ++ {0.0} {} 0.0 0.1654 0 {} 0 0 0
113 {} 7.46010 0.02968 0.04653 ++ {0.0} {} {} 34.55561 1.05564 1.68873 ++ {0.0} {} {} 110.14969 0.59836 0.99385 ++ {0.0} {} 0.0 0.2954 0 {} 0 0 0
114 {} 7.49583 0.03044 0.04529 ++ {0.0} {} {} 34.21801 0.80059 1.51143 ++ {0.0} {} {} 109.76206 0.60632 0.97908 ++ {0.0} {} 0.0 0.2600 0 {} 0 0 0
115 {} 7.45952 0.02489 0.02693 ++ {0.0} {} {} 28.40511 0.79630 0.87968 ++ {0.0} {} {} 110.14330 0.57754 0.63801 ++ {0.0} {} 0.0 0.1119 0 {} 0 0 0
116 {} 7.49668 0.02753 0.02948 ++ {0.0} {} {} 27.69522 0.86694 0.93758 ++ {0.0} {} {} 109.74262 0.63991 0.69206 ++ {0.0} {} 0.0 0.1090 0 {} 0 0 0
117 {} 8.19890 0.04051 0.10941 ++ {0.0} {} {} 56.71712 0.78131 1.87264 ++ {0.0} {} {} 108.70882 0.62798 1.69257 ++ {0.0} {} 0.0 1.6082 0 {} 0 0 0
118 {} 8.04080 0.03372 0.00566 ++ {0.0} {} {} 56.71125 0.79253 0.05350 ++ {0.0} {} {} 108.73515 0.65665 0.04433 ++ {0.0} {} 0.0 0.0518 0 {} 0 0 0
119 {} 8.19883 0.04048 0.09968 ++ {0.0} {} {} 29.47274 0.87296 1.84722 ++ {0.0} {} {} 108.71260 0.61780 1.60044 ++ {0.0} {} 0.0 0.8992 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 2 . 4194.630 Hz . . . 4.773 . . 30869 6
2 . . N 15 N 1 . 1800.000 Hz . . . 120.141 . . 30869 6
stop_
save_