Content for NMR-STAR saveframe, "spectral_peak_list_4"
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 30871
_Spectral_peak_list.ID 4
_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 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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
H1 C13 N15
hbcbcaconnh.nv
2101.41186523 9650.18066406 1400.02099609
599.607971191 150.779006958 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 {} 8.01092 0.09485 0.13550 ++ {0.0} {i.h} {} 56.19056 0.83338 1.73143 ++ {0.0} {i-1.ca} {} 126.76831 0.55489 1.21392 ++ {0.0} {i.n} 0.0 0.2461 1 {} 0 0 0
1 {} 8.01005 0.07996 0.12289 ++ {0.0} {i.h} {} 30.81687 0.67566 1.30491 ++ {0.0} {i-1.cb} {} 126.75685 0.59203 1.17841 ++ {0.0} {i.n} 0.0 0.1714 1 {} 0 0 0
2 {45.H} 7.90484 0.03503 0.07129 ++ {0.0} {i.h} {44.CA} 56.34311 0.63490 1.76525 ++ {0.0} {i-1.ca} {45.N} 126.46983 0.50271 1.40119 ++ {0.0} {i.n} 0.0 0.6995 1 {} 0 0 0
3 {45.H} 7.90475 0.03572 0.07188 ++ {0.0} {i.h} {44.CB} 30.74023 0.71647 1.81261 ++ {0.0} {i-1.cb} {45.N} 126.46908 0.50525 1.38869 ++ {0.0} {i.n} 0.0 0.5862 1 {} 0 0 0
4 {5.H} 8.37684 0.04809 0.06961 ++ {0.0} {i.h} {4.CA} 55.92573 0.60231 0.92082 ++ {0.0} {i-1.ca} {5.N} 123.10624 0.73651 1.17017 ++ {0.0} {i.n} 0.0 0.1060 1 {} 0 0 0
5 {5.H} 8.37759 0.03842 0.05839 ++ {0.0} {i.h} {4.CB} 31.07251 0.80501 1.34412 ++ {0.0} {i-1.cb} {5.N} 123.09412 0.75661 1.16382 ++ {0.0} {i.n} 0.0 0.1092 1 {} 0 0 0
6 {} 8.29177 0.03670 0.07226 ++ {0.0} {i.h} {} 59.51569 0.69946 1.42407 ++ {0.0} {i-1.ca} {} 122.62021 0.47077 0.88955 ++ {0.0} {i.n} 0.0 0.1872 1 {} 0 0 0
7 {} 8.28591 0.02604 0.00530 ++ {0.0} {i.h} {} 36.64692 0.83888 0.18296 ++ {0.0} {i-1.cb,ca} {} 122.77110 0.41713 0.09098 ++ {0.0} {i.n} 0.0 -0.0280 -1 {} 0 0 0
8 {} 8.29071 0.03724 0.05541 ++ {0.0} {i.h} {} 30.62743 0.89856 1.50724 ++ {0.0} {i-1.cb} {} 122.58857 0.46707 0.75044 ++ {0.0} {i.n} 0.0 0.1270 1 {} 0 0 0
9 {28.H} 8.38572 0.03677 0.05803 ++ {0.0} {i.h} {} 68.59373 0.81821 1.58988 ++ {0.0} {i-1.cb} {28.N} 122.37734 0.65750 1.16152 ++ {0.0} {i.n} 0.0 0.1655 1 {} 0 0 0
10 {28.H} 8.38788 0.03346 0.05736 ++ {0.0} {i.h} {} 67.10687 0.82851 1.55594 ++ {0.0} {i-1.ca} {28.N} 122.37717 0.64180 1.11428 ++ {0.0} {i.n} 0.0 0.1533 1 {} 0 0 0
11 {34.H} 8.28545 0.03739 0.14278 ++ {0.0} {i.h} {33.CA} 56.93194 0.67762 1.51825 ++ {0.0} {i-1.ca} {34.N} 121.79385 0.83581 1.77563 ++ {0.0} {i.n} 0.0 0.2800 1 {} 0 0 0
12 {} 8.48066 0.01777 0.08391 ++ {0.0} {} {} 56.28429 0.79223 1.22893 ++ {0.0} {} {} 121.66814 0.76452 1.11164 ++ {0.0} {} 0.0 0.0915 -1 {} 0 0 0
13 {33.H} 8.25290 0.04917 0.10813 ++ {0.0} {i.h} {32.CA} 56.16871 1.07976 1.74243 ++ {0.0} {i-1.ca} {33.N} 121.62148 0.72668 1.53197 ++ {0.0} {i.n} 0.0 0.2681 1 {} 0 0 0
14 {34.H} 8.28690 0.02955 0.05728 ++ {0.0} {i.h} {} 36.62880 0.86330 1.71300 ++ {0.0} {i-1.cb} {34.N} 121.80959 0.48379 1.14906 ++ {0.0} {i.n} 0.0 0.2938 1 {} 0 0 0
15 {33.H} 8.25296 0.04986 0.10354 ++ {0.0} {i.h} {} 31.15882 1.02927 1.87630 ++ {0.0} {i-1.cb} {33.N} 121.59157 0.55213 1.14113 ++ {0.0} {i.n} 0.0 0.1906 1 {} 0 0 0
16 {} 8.36033 0.04957 0.07942 ++ {0.0} {} {} 64.18082 0.79881 1.50023 ++ {0.0} {} {} 121.26777 0.65062 1.16502 ++ {0.0} {} 0.0 0.1341 -1 {} 0 0 0
17 {13.H} 8.19706 0.03026 0.06388 ++ {0.0} {i.h} {} 58.99186 0.70891 1.78891 ++ {0.0} {i-1.ca} {13.N} 121.17005 0.47296 1.06009 ++ {0.0} {i.n} 0.0 0.2769 1 {} 0 0 0
18 {32.H} 8.36232 0.04348 0.12775 ++ {0.0} {i.h} {31.CA} 56.52165 0.78050 1.85424 ++ {0.0} {i-1.ca} {32.N} 121.34737 0.82903 1.96111 ++ {0.0} {i.n} 0.0 0.3957 1 {} 0 0 0
19 {} 8.41210 0.05542 0.07161 ++ {0.0} {} {} 28.19969 0.42565 1.52686 ++ {0.0} {} {} 121.12046 0.59869 0.96839 ++ {0.0} {} 0.0 0.0997 -1 {} 0 0 0
20 {32.H} 8.36271 0.04042 0.16330 ++ {0.0} {i.h} {31.CB} 30.96806 0.66938 1.56106 ++ {0.0} {i-1.cb} {32.N} 121.37351 0.64629 1.43434 ++ {0.0} {i.n} 0.0 0.2807 1 {} 0 0 0
21 {13.H} 8.19667 0.03063 0.05788 ++ {0.0} {i.h} {} 28.30697 0.68174 1.35799 ++ {0.0} {i-1.cb} {13.N} 121.17820 0.47680 0.89315 ++ {0.0} {i.n} 0.0 0.1736 1 {} 0 0 0
22 {26.H} 7.79044 0.03764 0.07019 ++ {0.0} {i.h} {25.CA} 60.14346 0.89094 1.74112 ++ {0.0} {i-1.ca} {26.N} 120.82849 0.48824 1.10964 ++ {0.0} {i.n} 0.0 0.2760 1 {} 0 0 0
23 {26.H} 7.79022 0.04367 0.06401 ++ {0.0} {i.h} {25.CB} 28.94236 0.62326 1.04532 ++ {0.0} {i-1.cb} {26.N} 120.81094 0.44551 0.74721 ++ {0.0} {i.n} 0.0 0.1547 1 {} 0 0 0
24 {} 8.47193 0.03816 0.07166 ++ {0.0} {i.h} {} 60.74944 0.71790 1.65960 ++ {0.0} {i-1.ca} {} 120.68563 0.52957 1.28609 ++ {0.0} {i.n} 0.0 0.2536 1 {} 0 0 0
25 {30.H} 8.39179 0.03406 0.07014 ++ {0.0} {i.h} {29.CA} 60.32345 0.64395 1.40466 ++ {0.0} {i-1.ca} {30.N} 120.48083 0.45730 0.91231 ++ {0.0} {i.n} 0.0 0.2540 1 {} 0 0 0
26 {35.H} 8.24002 0.03866 0.07247 ++ {0.0} {i.h} {34.CA} 58.99527 0.68209 1.49199 ++ {0.0} {i-1.ca} {35.N} 120.44050 0.49891 1.25610 ++ {0.0} {i.n} 0.0 0.2312 1 {} 0 0 0
27 {21.H} 8.14067 0.05879 0.08088 ++ {0.0} {i.h} {20.CA} 56.91243 0.71326 1.04487 ++ {0.0} {i-1.ca} {21.N} 120.63212 0.72508 1.18214 ++ {0.0} {i.n} 0.0 0.0933 1 {} 0 0 0
28 {44.H} 8.37177 0.03790 0.08213 ++ {0.0} {i.h} {} 55.12280 0.88215 1.86325 ++ {0.0} {i-1.ca} {44.N} 120.55149 0.56511 1.20315 ++ {0.0} {i.n} 0.0 0.3117 1 {} 0 0 0
29 {} 8.47333 0.03428 0.06475 ++ {0.0} {i.h} {} 38.41380 0.68721 1.47368 ++ {0.0} {i-1.cb} {} 120.68141 0.51988 1.12369 ++ {0.0} {i.n} 0.0 0.2040 1 {} 0 0 0
30 {30.H} 8.39200 0.03400 0.06982 ++ {0.0} {i.h} {29.CB} 35.65656 0.86468 1.72357 ++ {0.0} {i-1.cb} {30.N} 120.47277 0.46590 1.04076 ++ {0.0} {i.n} 0.0 0.3342 1 {} 0 0 0
31 {} 7.85852 0.04472 0.13098 ++ {0.0} {i.h} {} 30.10206 0.86035 1.83366 ++ {0.0} {i-1.cb} {} 120.61040 0.64545 1.31043 ++ {0.0} {i.n} 0.0 0.4317 1 {} 0 0 0
32 {35.H} 8.24087 0.04072 0.09705 ++ {0.0} {i.h} {34.CB} 29.44597 0.71326 1.74418 ++ {0.0} {i-1.cb} {35.N} 120.41972 0.46263 0.91455 ++ {0.0} {i.n} 0.0 0.2026 1 {} 0 0 0
33 {44.H} 8.37367 0.03958 0.08531 ++ {0.0} {i.h} {} 29.17890 0.89033 1.82577 ++ {0.0} {i-1.cb} {44.N} 120.57289 0.68205 1.33782 ++ {0.0} {i.n} 0.0 0.2690 1 {} 0 0 0
34 {} 8.08705 0.03207 0.05774 ++ {0.0} {i.h} {} 60.55474 0.33909 1.71520 ++ {0.0} {i-1.ca} {} 120.07791 0.45210 0.95362 ++ {0.0} {i.n} 0.0 0.2852 1 {} 0 0 0
35 {15.H} 8.51640 0.03130 0.07453 ++ {0.0} {i.h} {14.CA} 59.13001 0.63320 1.34000 ++ {0.0} {i-1.ca} {15.N} 120.07000 0.44400 0.86380 ++ {0.0} {i.n} 0.0 0.2750 1 {} 0 0 0
36 {} 8.09536 0.03255 0.07271 ++ {0.0} {i.h} {} 59.21400 0.76061 1.83361 ++ {0.0} {i-1.ca} {} 120.24738 0.65564 1.30770 ++ {0.0} {i.n} 0.0 0.3835 1 {} 0 0 0
37 {} 8.09488 0.03334 0.07240 ++ {0.0} {i.h} {} 29.87193 0.69147 1.75724 ++ {0.0} {i-1.cb} {} 120.19418 0.66212 1.40899 ++ {0.0} {i.n} 0.0 0.3820 1 {} 0 0 0
38 {15.H} 8.51566 0.03604 0.06807 ++ {0.0} {i.h} {14.CB} 29.60954 0.86291 1.69736 ++ {0.0} {i-1.cb} {15.N} 120.07386 0.48010 1.16227 ++ {0.0} {i.n} 0.0 0.2396 1 {} 0 0 0
39 {} 8.30045 0.03516 0.07326 ++ {0.0} {i.h} {} 58.26240 0.75514 1.80653 ++ {0.0} {i-1.ca} {} 119.87464 0.69505 1.31364 ++ {0.0} {i.n} 0.0 0.2711 1 {} 0 0 0
40 {} 7.80270 0.02716 0.01106 ++ {0.0} {} {} 55.68307 0.82367 0.21952 ++ {0.0} {} {} 119.97607 0.14895 0.03970 ++ {0.0} {} 0.0 -0.0288 -1 {} 0 0 0
41 {} 8.30160 0.04403 0.07085 ++ {0.0} {i.h} {} 28.85379 0.63203 1.09231 ++ {0.0} {i-1.cb} {} 119.88041 0.69333 1.26070 ++ {0.0} {i.n} 0.0 0.1838 1 {} 0 0 0
42 {} 8.42160 0.03076 0.06232 ++ {0.0} {i.h} {} 65.17401 0.87314 1.75279 ++ {0.0} {i-1.ca} {} 119.36605 0.44883 0.92752 ++ {0.0} {i.n} 0.0 0.2935 1 {} 0 0 0
43 {} 8.48224 0.03171 0.05521 ++ {0.0} {i.h} {} 63.75919 0.71977 1.53622 ++ {0.0} {i-1.ca} {} 119.49168 0.74346 1.29370 ++ {0.0} {i.n} 0.0 0.2080 1 {} 0 0 0
44 {12.H} 8.02023 0.03425 0.07325 ++ {0.0} {i.h} {11.CA} 59.23038 0.78108 1.88216 ++ {0.0} {i-1.ca} {12.N} 119.38855 0.47782 1.11945 ++ {0.0} {i.n} 0.0 0.3393 1 {} 0 0 0
45 {41.H} 8.35187 0.03667 0.08266 ++ {0.0} {i.h} {} 58.28357 0.70526 1.82948 ++ {0.0} {i-1.ca} {41.N} 119.43834 0.55345 1.32439 ++ {0.0} {i.n} 0.0 0.3759 1 {} 0 0 0
46 {9.H} 7.81579 0.04037 0.08385 ++ {0.0} {i.h} {8.CA} 58.35044 0.88704 1.82887 ++ {0.0} {i-1.ca} {9.N} 119.23242 0.84275 2.32103 ++ {0.0} {i.n} 0.0 0.5391 1 {} 0 0 0
47 {} 8.48161 0.03744 0.06364 ++ {0.0} {i.h} {} 32.21323 0.79038 1.63157 ++ {0.0} {i-1.cb} {} 119.50036 0.71336 1.24991 ++ {0.0} {i.n} 0.0 0.1821 1 {} 0 0 0
48 {} 8.42147 0.03090 0.05699 ++ {0.0} {i.h} {} 32.19484 0.80183 1.63064 ++ {0.0} {i-1.cb} {} 119.39016 0.48823 1.02852 ++ {0.0} {i.n} 0.0 0.2132 1 {} 0 0 0
49 {41.H} 8.35202 0.03666 0.09904 ++ {0.0} {i.h} {40.CB} 28.56233 0.76195 1.74557 ++ {0.0} {i-1.cb} {41.N} 119.44096 0.54656 1.33229 ++ {0.0} {i.n} 0.0 0.3131 1 {} 0 0 0
50 {12.H} 8.02093 0.03477 0.08881 ++ {0.0} {i.h} {} 28.11299 0.88751 1.70256 ++ {0.0} {i-1.cb} {12.N} 119.37827 0.47429 1.00479 ++ {0.0} {i.n} 0.0 0.2524 1 {} 0 0 0
51 {8.H} 8.23576 0.04019 0.10269 ++ {0.0} {i.h} {7.CA} 58.87579 0.62905 1.68441 ++ {0.0} {i-1.ca} {8.N} 119.16449 0.68029 1.38519 ++ {0.0} {i.n} 0.0 0.6210 1 {} 0 0 0
52 {20.H} 7.97219 0.03783 0.07768 ++ {0.0} {i.h} {19.CA} 57.57797 0.59045 2.08690 ++ {0.0} {i-1.ca} {20.N} 119.15695 0.64606 1.30507 ++ {0.0} {i.n} 0.0 0.4450 1 {} 0 0 0
53 {18.H} 7.79869 0.03154 0.05709 ++ {0.0} {i.h} {17.CA} 55.70211 0.75718 1.69867 ++ {0.0} {i-1.ca} {18.N} 119.05164 0.49697 1.13701 ++ {0.0} {i.n} 0.0 0.3207 1 {} 0 0 0
54 {18.H} 7.79920 0.02993 0.06002 ++ {0.0} {i.h} {17.CB} 35.93600 0.64030 1.49900 ++ {0.0} {i-1.cb} {18.N} 119.05000 0.49080 1.13900 ++ {0.0} {i.n} 0.0 0.3420 1 {} 0 0 0
55 {20.H} 7.97444 0.03792 0.07137 ++ {0.0} {i.h} {19.CB} 30.76858 0.92326 1.83778 ++ {0.0} {i-1.cb} {20.N} 119.17519 0.65121 1.31911 ++ {0.0} {i.n} 0.0 0.3673 1 {} 0 0 0
56 {8.H} 8.24002 0.03478 0.08078 ++ {0.0} {i.h} {7.CB} 29.86421 0.92772 1.65006 ++ {0.0} {i-1.cb} {8.N} 119.13145 0.65245 1.34060 ++ {0.0} {i.n} 0.0 0.2723 1 {} 0 0 0
57 {9.H} 7.81390 0.03000 0.05581 ++ {0.0} {i.h} {8.CB} 29.77098 0.68035 1.58500 ++ {0.0} {i-1.cb} {9.N} 119.18564 0.60870 1.31358 ++ {0.0} {i.n} 0.0 0.3166 1 {} 0 0 0
58 {36.H} 7.97929 0.03840 0.07453 ++ {0.0} {i.h} {35.CB} 28.63001 0.77459 1.70478 ++ {0.0} {i-1.cb} {36.N} 119.08617 0.59797 1.28815 ++ {0.0} {i.n} 0.0 0.2742 1 {} 0 0 0
59 {11.H} 8.40564 0.03426 0.07909 ++ {0.0} {i.h} {} 60.59706 0.81432 1.71890 ++ {0.0} {i-1.ca} {11.N} 118.83512 0.59866 1.29902 ++ {0.0} {i.n} 0.0 0.2988 1 {} 0 0 0
60 {} 9.01365 0.04093 0.08022 ++ {0.0} {i.h} {} 59.10046 0.82838 1.66813 ++ {0.0} {i-1.ca} {} 118.80199 0.64294 1.21833 ++ {0.0} {i.n} 0.0 0.2331 1 {} 0 0 0
61 {16.H} 7.88133 0.03010 0.05938 ++ {0.0} {i.h} {} 59.02071 0.72118 1.81198 ++ {0.0} {i-1.ca} {16.N} 118.78510 0.63765 1.26954 ++ {0.0} {i.n} 0.0 0.3977 1 {} 0 0 0
62 {11.H} 8.40520 0.03438 0.07800 ++ {0.0} {i.h} {10.CB} 37.07617 0.89335 1.77849 ++ {0.0} {i-1.cb} {11.N} 118.83112 0.60705 1.30886 ++ {0.0} {i.n} 0.0 0.3262 1 {} 0 0 0
63 {} 9.01411 0.04150 0.08846 ++ {0.0} {i.h} {} 28.76966 0.68381 1.37491 ++ {0.0} {i-1.cb} {} 118.79386 0.63523 1.17279 ++ {0.0} {i.n} 0.0 0.1800 1 {} 0 0 0
64 {16.H} 7.88089 0.03423 0.06435 ++ {0.0} {i.h} {15.CB} 28.19306 0.80753 1.71311 ++ {0.0} {i-1.cb} {16.N} 118.79319 0.65183 1.25005 ++ {0.0} {i.n} 0.0 0.2906 1 {} 0 0 0
65 {27.H} 8.26065 0.03770 0.07313 ++ {0.0} {i.h} {} 60.18913 0.79939 1.68066 ++ {0.0} {i-1.ca} {27.N} 117.28436 0.52408 1.15893 ++ {0.0} {i.n} 0.0 0.2739 1 {} 0 0 0
66 {33.H} 8.07117 0.03354 0.07319 ++ {0.0} {i.h} {32.CA} 59.64483 1.09330 1.83410 ++ {0.0} {i-1.ca} {33.N} 117.38031 0.63802 1.36597 ++ {0.0} {i.n} 0.0 0.5359 1 {} 0 0 0
67 {17.H} 7.88725 0.03335 0.06202 ++ {0.0} {i.h} {16.CA} 58.77438 0.69082 1.72301 ++ {0.0} {i-1.ca} {17.N} 117.34629 0.67163 1.33141 ++ {0.0} {i.n} 0.0 0.3553 1 {} 0 0 0
68 {43.H} 7.56628 0.03582 0.06622 ++ {0.0} {i.h} {} 56.65849 0.86163 1.76290 ++ {0.0} {i-1.ca} {43.N} 117.32436 0.61097 1.26736 ++ {0.0} {i.n} 0.0 0.4051 1 {} 0 0 0
69 {43.H} 7.56566 0.03729 0.06467 ++ {0.0} {i.h} {} 30.62703 0.88640 1.75260 ++ {0.0} {i-1.cb} {43.N} 117.32158 0.60809 1.27452 ++ {0.0} {i.n} 0.0 0.3287 1 {} 0 0 0
70 {33.H} 8.07267 0.03498 0.06090 ++ {0.0} {i.h} {32.CB} 29.55647 1.14776 1.87829 ++ {0.0} {i-1.cb} {33.N} 117.34786 0.71934 1.34312 ++ {0.0} {i.n} 0.0 0.3101 1 {} 0 0 0
71 {27.H} 8.26014 0.03785 0.06899 ++ {0.0} {i.h} {} 29.16365 0.94049 1.73785 ++ {0.0} {i-1.cb} {27.N} 117.27793 0.52620 1.13966 ++ {0.0} {i.n} 0.0 0.2226 1 {} 0 0 0
72 {17.H} 7.88766 0.03310 0.05980 ++ {0.0} {i.h} {16.CB} 27.72176 0.77195 1.74909 ++ {0.0} {i-1.cb} {17.N} 117.34083 0.67573 1.29792 ++ {0.0} {i.n} 0.0 0.2947 1 {} 0 0 0
73 {} 7.45398 0.01766 0.00058 ++ {0.0} {} {} 58.26429 0.73703 0.02578 ++ {0.0} {} {} 115.54313 0.49557 0.01733 ++ {0.0} {} 0.0 -0.0254 1 {} 0 0 0
74 {42.H} 7.44552 0.03388 0.06067 ++ {0.0} {i.h} {41.CA} 58.36636 0.63002 1.34132 ++ {0.0} {i-1.ca} {42.N} 114.59142 0.51177 1.26955 ++ {0.0} {i.n} 0.0 0.2613 1 {} 0 0 0
75 {42.H} 7.44584 0.03798 0.07102 ++ {0.0} {i.h} {41.CB} 29.60339 0.84561 1.68576 ++ {0.0} {i-1.cb} {42.N} 114.58363 0.50900 1.17330 ++ {0.0} {i.n} 0.0 0.2396 1 {} 0 0 0
76 {} 6.80676 0.01933 0.00362 ++ {0.0} {} {} 34.25875 0.75610 0.10183 ++ {0.0} {} {} 112.65627 0.90772 0.12975 ++ {0.0} {} 0.0 -0.0268 1 {} 0 0 0
77 {} 8.74377 0.03861 0.04266 ++ {0.0} {i.h} {} 56.93251 0.68361 0.74736 ++ {0.0} {i-1.ca} {} 111.78529 0.44976 0.49170 ++ {0.0} {i.n} 0.0 0.0551 1 {} 0 0 0
78 {} 8.74452 0.03705 0.04173 ++ {0.0} {i.h} {} 31.14438 0.92449 1.06124 ++ {0.0} {i-1.cb} {} 111.81786 0.47875 0.54658 ++ {0.0} {i.n} 0.0 0.0582 1 {} 0 0 0
79 {} 7.54899 0.06025 0.09955 ++ {0.0} {i.h} {} 34.05059 0.80480 1.45111 ++ {0.0} {i-1.cb,ca} {} 111.45881 1.28931 1.83087 ++ {0.0} {i.n} 0.0 0.1222 1 {} 0 0 0
80 {} 6.83315 0.05536 0.07682 ++ {0.0} {i.h} {} 34.09331 0.99288 1.76626 ++ {0.0} {i-1.cb,ca} {} 111.54714 0.87050 1.51405 ++ {0.0} {i.n} 0.0 0.1893 1 {} 0 0 0
81 {} 6.85643 0.06708 0.07422 ++ {0.0} {i.h} {} 29.15296 0.96450 1.14946 ++ {0.0} {i-1.cb,ca} {} 111.63365 0.81832 0.95076 ++ {0.0} {i.n} 0.0 0.0610 1 {} 0 0 0
82 {} 7.54863 0.02273 0.02397 ++ {0.0} {i.h} {} 28.28841 0.66220 0.71426 ++ {0.0} {i-1.cb,ca} {} 111.21907 0.75948 0.81531 ++ {0.0} {i.n} 0.0 0.0542 1 {} 0 0 0
83 {21.H} 8.13950 0.03334 0.08738 ++ {0.0} {i.h} {20.CB} 29.99709 0.69147 1.84260 ++ {0.0} {i-1.cb} {21.N} 120.62791 0.66212 1.46440 ++ {0.0} {i.n} 0.0 0.3820 0 {} 0 0 0
84 {} 7.85959 0.03734 0.07361 ++ {0.0} {i.h} {} 57.02172 0.97968 1.96839 ++ {0.0} {i-1.ca} {} 120.61299 0.65960 1.35006 ++ {0.0} {i.n} 0.0 0.4814 0 {} 0 0 0
85 {4.H} 8.52241 0.05006 0.11960 ++ {0.0} {i.h} {3.CB} 32.18753 0.84504 1.68672 ++ {0.0} {i-1.cb} {4.N} 120.90814 0.59564 1.21296 ++ {0.0} {i.n} 0.0 0.1394 0 {} 0 0 0
86 {4.H} 8.52458 0.05142 0.12643 ++ {0.0} {i.h} {3.CA} 63.26263 0.69188 1.51146 ++ {0.0} {i-1.ca} {4.N} 120.89796 0.56844 1.25464 ++ {0.0} {i.n} 0.0 0.1588 0 {} 0 0 0
87 {} 8.22953 0.03478 0.09061 ++ {0.0} {i.h} {} 28.57614 0.92772 1.65006 ++ {0.0} {i-1.cb} {} 119.13145 0.65245 1.50216 ++ {0.0} {i.n} 0.0 0.2723 0 {} 0 0 0
88 {} 8.22561 0.03478 0.09061 ++ {0.0} {i.h} {} 58.83207 0.92772 1.65006 ++ {0.0} {i-1.ca} {} 119.13145 0.65245 1.50216 ++ {0.0} {i.n} 0.0 0.2723 0 {} 0 0 0
89 {36.H} 7.97857 0.03783 0.08479 ++ {0.0} {i.h} {35.CA} 58.04524 0.59045 2.13295 ++ {0.0} {i-1.ca} {36.N} 119.15395 0.64606 1.34459 ++ {0.0} {i.n} 0.0 0.4450 0 {} 0 0 0
90 {29.H} 7.83479 0.03461 0.07016 ++ {0.0} {i.h} {28.CB} 41.38157 0.61047 1.45562 ++ {0.0} {i-1.cb} {29.N} 119.52448 0.65827 1.31436 ++ {0.0} {i.n} 0.0 0.2566 0 {} 0 0 0
91 {40.H} 7.98564 0.03840 0.08212 ++ {0.0} {i.h} {39.CB} 29.23431 0.77459 1.77163 ++ {0.0} {i-1.cb} {40.N} 118.50430 0.59797 1.34822 ++ {0.0} {i.n} 0.0 0.2742 0 {} 0 0 0
92 {40.H} 7.98515 0.03783 0.08272 ++ {0.0} {i.h} {39.CA} 59.65547 0.59045 2.11956 ++ {0.0} {i-1.ca} {40.N} 118.44611 0.64606 1.33310 ++ {0.0} {i.n} 0.0 0.4450 0 {} 0 0 0
93 {} 8.07147 0.03498 0.06849 ++ {0.0} {i.h} {} 29.76354 1.14776 1.91858 ++ {0.0} {i-1.cb} {} 117.50996 0.71934 1.40413 ++ {0.0} {i.n} 0.0 0.3101 0 {} 0 0 0
94 {} 8.07120 0.03354 0.07679 ++ {0.0} {i.h} {} 59.42099 1.09300 1.85000 ++ {0.0} {i-1.ca} {} 117.56000 0.63800 1.39000 ++ {0.0} {i.n} 0.0 0.5359 0 {} 0 0 0
95 {} 8.09367 0.03334 0.08116 ++ {0.0} {i.h} {} 30.14640 0.69147 1.84067 ++ {0.0} {i-1.cb} {} 120.02018 0.66212 1.44829 ++ {0.0} {i.n} 0.0 0.3820 0 {} 0 0 0
96 {29.H} 7.83714 0.04037 0.08103 ++ {0.0} {i.h} {} 58.09770 0.88704 1.79793 ++ {0.0} {i-1.ca} {29.N} 119.28061 0.84275 2.26575 ++ {0.0} {i.n} 0.0 0.5391 0 {} 0 0 0
97 {7.H} 7.83145 0.04037 0.08103 ++ {0.0} {i.h} {6.CA} 58.54545 0.88704 1.79793 ++ {0.0} {i-1.ca} {7.N} 120.40109 0.84275 2.26575 ++ {0.0} {i.n} 0.0 0.5391 0 {} 0 0 0
98 {7.H} 7.83120 0.03461 0.06714 ++ {0.0} {i.h} {6.CB} 30.05393 0.61047 1.35611 ++ {0.0} {i-1.cb} {7.N} 120.38802 0.65827 1.29472 ++ {0.0} {i.n} 0.0 0.2566 0 {} 0 0 0
99 {} 8.41690 0.05542 0.07081 ++ {0.0} {i.h} {} 32.03452 0.42565 1.49398 ++ {0.0} {i-1.cb} {} 121.26504 0.59869 0.94339 ++ {0.0} {i.n} 0.0 0.0997 0 {} 0 0 0
100 {} 8.41093 0.04957 0.07795 ++ {0.0} {i.h} {} 63.20587 0.79881 1.47053 ++ {0.0} {i-1.ca} {} 121.27077 0.65062 1.15123 ++ {0.0} {i.n} 0.0 0.1341 0 {} 0 0 0
101 {} 8.45186 0.04957 0.08908 ++ {0.0} {i.h} {} 56.50100 0.79880 1.65400 ++ {0.0} {i-1.ca} {} 121.51614 0.65060 1.25600 ++ {0.0} {i.n} 0.0 0.1341 0 {} 0 0 0
102 {} 8.44947 0.04957 0.08908 ++ {0.0} {i.h} {} 29.34238 0.79881 1.65375 ++ {0.0} {i-1.cb} {} 121.50874 0.65062 1.25555 ++ {0.0} {i.n} 0.0 0.1341 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 . 2805.810 Hz . . . 4.788 . . 30871 4
2 . . H 1 H . . 8000 Hz . . . 4.788 . . 30871 4
3 . . N 15 N 1 . 1864.58398437 Hz . . . 119.153 . . 30871 4
stop_
save_