Content for NMR-STAR saveframe, "spectral_peak_nhsqc"

    save_spectral_peak_nhsqc
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_nhsqc
   _Spectral_peak_list.Entry_ID                         27477
   _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                    14
   _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      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
label dataset sw sf
HN N15
Itch-Clobe_nhsqc.nv
3061.7199707 1950.0
599.293029785 60.733001709
HN.L HN.P HN.W HN.B HN.E HN.J HN.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0
0 {876.H} 9.34928 0.03825 0.08256 ++ {0.0} {i.hn} {876.N} 130.04791 0.29339 0.47701 ++ {0.0} {i.n} 0.0 2.9264 1 {} 0
1 {875.H} 9.11619 0.04182 0.08227 ++ {0.0} {i.hn} {875.N} 129.43286 0.31063 0.46392 ++ {0.0} {i.n} 0.0 2.4518 1 {} 0
2 {789.H} 9.21321 0.04944 0.09091 ++ {0.0} {i.hn} {789.N} 129.01900 0.20297 0.42759 ++ {0.0} {i.n} 0.0 3.4276 1 {} 0
3 {857.H} 9.42954 0.05158 0.08573 ++ {0.0} {i.hn} {857.N} 128.55273 0.27266 0.46238 ++ {0.0} {i.n} 0.0 2.8991 1 {} 0
4 {877.H} 9.01035 0.03627 0.08114 ++ {0.0} {i.hn} {877.N} 127.18530 0.24829 0.48170 ++ {0.0} {i.n} 0.0 3.4920 1 {} 0
5 {807.H} 9.10353 0.03404 0.07523 ++ {0.0} {i.hn} {807.N} 126.40372 0.27851 0.47767 ++ {0.0} {i.n} 0.0 3.0748 1 {} 0
6 {843.H} 9.35900 0.03783 0.08347 ++ {0.0} {i.hn} {843.N} 123.76980 0.24588 0.48287 ++ {0.0} {i.n} 0.0 6.8346 1 {} 0
7 {854.H} 9.40419 0.04329 0.08065 ++ {0.0} {i.hn} {854.N} 122.93891 0.20314 0.38959 ++ {0.0} {i.n} 0.0 2.2966 1 {} 0
8 {846.H} 9.03269 0.03432 0.08206 ++ {0.0} {i.hn} {846.N} 123.65416 0.28012 0.48615 ++ {0.0} {i.n} 0.0 4.3577 1 {} 0
9 {800.H} 9.11900 0.04207 0.08737 ++ {0.0} {i.hn} {800.N} 122.86815 0.19733 0.43321 ++ {0.0} {i.n} 0.0 3.9534 1 {} 0
10 {790.H} 8.75995 0.03182 0.07917 ++ {0.0} {i.hn} {790.N} 126.81859 0.20810 0.45569 ++ {0.0} {i.n} 0.0 4.9031 1 {} 0
11 {853.H} 8.51974 0.03236 0.08628 ++ {0.0} {i.hn} {853.N} 126.92143 0.27279 0.48732 ++ {0.0} {i.n} 0.0 5.1090 1 {} 0
12 {842.H} 9.43846 0.04147 0.08735 ++ {0.0} {i.hn} {842.N} 118.91814 0.21572 0.45535 ++ {0.0} {i.n} 0.0 3.9660 1 {} 0
13 {801.H} 9.17362 0.03995 0.08837 ++ {0.0} {i.hn} {801.N} 119.00986 0.28201 0.45736 ++ {0.0} {i.n} 0.0 2.3364 1 {} 0
14 {870.H} 9.03889 0.04142 0.08136 ++ {0.0} {i.hn} {870.N} 119.24168 0.21871 0.47457 ++ {0.0} {i.n} 0.0 4.7099 1 {} 0
15 {804.H} 8.98389 0.04137 0.08532 ++ {0.0} {i.hn} {804.N} 119.71569 0.18757 0.45323 ++ {0.0} {i.n} 0.0 5.5893 1 {} 0
16 {869.H} 8.89565 0.03518 0.07848 ++ {0.0} {i.hn} {869.N} 118.65135 0.24473 0.47098 ++ {0.0} {i.n} 0.0 4.3319 1 {} 0
17 {849.H} 8.83834 0.03143 0.07331 ++ {0.0} {i.hn} {849.N} 117.85764 0.20561 0.46356 ++ {0.0} {i.n} 0.0 8.1531 1 {} 0
18 {862.H} 8.94983 0.03716 0.08713 ++ {0.0} {i.hn} {862.N} 117.63749 0.29117 0.49560 ++ {0.0} {i.n} 0.0 5.1235 1 {} 0
19 {798.H} 8.87378 0.02389 0.03414 ++ {0.0} {i.hn} {798.N} 120.75222 0.22260 0.45798 ++ {0.0} {i.n} 0.0 4.4530 1 {} 0
20 {803.H} 8.83170 0.03982 0.05689 ++ {0.0} {i.hn} {803.N} 120.79564 0.22960 0.45959 ++ {0.0} {i.n} 0.0 5.0103 1 {} 0
21 {830.H} 8.82618 0.03351 0.07871 ++ {0.0} {i.hn} {830.N} 122.48223 0.17834 0.42069 ++ {0.0} {i.n} 0.0 5.0786 1 {} 0
22 {815.H} 8.73945 0.03162 0.06810 ++ {0.0} {i.hn} {815.N} 122.83978 0.25718 0.48484 ++ {0.0} {i.n} 0.0 3.8974 1 {} 0
23 {829.H} 8.77917 0.03853 0.07965 ++ {0.0} {i.hn} {829.N} 123.14143 0.28379 0.58690 ++ {0.0} {i.n} 0.0 7.3603 1 {} 0
24 {839.H} 8.69142 0.06019 0.12516 ++ {0.0} {i.hn} {839.N} 123.15051 0.27350 0.57338 ++ {0.0} {i.n} 0.0 11.6576 1 {} 0
25 {828.H} 8.69332 0.03130 0.08387 ++ {0.0} {i.hn} {828.N} 121.02179 0.30047 0.48877 ++ {0.0} {i.n} 0.0 5.6144 1 {} 0
26 {824.H} 8.69827 0.03764 0.07828 ++ {0.0} {i.hn} {824.N} 120.08382 0.18167 0.42257 ++ {0.0} {i.n} 0.0 5.0059 1 {} 0
27 {811.H} 8.64606 0.03042 0.07949 ++ {0.0} {i.hn} {811.N} 119.42406 0.19288 0.43592 ++ {0.0} {i.n} 0.0 5.8606 1 {} 0
28 {786.H} 8.42216 0.02789 0.12007 ++ {0.0} {i.hn} {786.N} 122.26904 0.26296 0.46883 ++ {0.0} {i.n} 0.0 28.1452 1 {} 0
29 {812.H} 8.46676 0.04492 0.06374 ++ {0.0} {i.hn} {812.N} 122.48264 0.18661 0.39958 ++ {0.0} {i.n} 0.0 4.5265 1 {} 0
30 {855.H} 8.48182 0.04207 0.08220 ++ {0.0} {i.hn} {855.N} 121.62257 0.26979 0.58568 ++ {0.0} {i.n} 0.0 4.1187 1 {} 0
31 {898.H} 8.38737 0.02595 0.06688 ++ {0.0} {i.hn} {898.N} 123.24906 0.23831 0.44900 ++ {0.0} {i.n} 0.0 10.5538 1 {} 0
32 {787.H} 8.38049 0.03283 0.06235 ++ {0.0} {i.hn} {787.N} 122.84125 0.43897 0.62710 ++ {0.0} {i.n} 0.0 16.4622 1 {} 0
33 {788.H} 8.39991 0.03995 0.08565 ++ {0.0} {i.hn} {788.N} 124.27422 0.29527 0.47864 ++ {0.0} {i.n} 0.0 8.8929 1 {} 0
34 {852.H} 8.43101 0.02952 0.07163 ++ {0.0} {i.hn} {852.N} 125.30023 0.23128 0.46303 ++ {0.0} {i.n} 0.0 4.8046 1 {} 0
35 {837.H} 8.28519 0.04495 0.08705 ++ {0.0} {i.hn} {837.N} 125.41679 0.25539 0.47705 ++ {0.0} {i.n} 0.0 9.1419 1 {} 0
36 {903.H} 8.12806 0.02676 0.05890 ++ {0.0} {i.hn} {903.N} 127.32750 0.15388 0.39557 ++ {0.0} {i.n} 0.0 33.9826 1 {} 0
37 {858.H} 7.20623 0.04168 0.08351 ++ {0.0} {i.hn} {858.N} 126.84962 0.18193 0.36501 ++ {0.0} {i.n} 0.0 2.2227 1 {} 0
38 {880.H} 8.29107 0.03235 0.07498 ++ {0.0} {i.hn} {880.N} 123.88630 0.22485 0.46556 ++ {0.0} {i.n} 0.0 5.1830 1 {} 0
39 {814.H} 8.20022 0.03371 0.08968 ++ {0.0} {i.hn} {814.N} 122.64722 0.27292 0.50074 ++ {0.0} {i.n} 0.0 6.8213 1 {} 0
40 {799.H} 8.33230 0.03444 0.07440 ++ {0.0} {i.hn} {799.N} 121.55460 0.19660 0.44096 ++ {0.0} {i.n} 0.0 5.8310 1 {} 0
41 {792.H} 7.85884 0.03509 0.07857 ++ {0.0} {i.hn} {792.N} 122.21099 0.18043 0.41304 ++ {0.0} {i.n} 0.0 3.9805 1 {} 0
42 {883.H} 7.75164 0.03377 0.07586 ++ {0.0} {i.hn} {883.N} 121.96128 0.14345 0.28715 ++ {0.0} {i.n} 0.0 4.4358 1 {} 0
43 {895.H} 7.68619 0.04102 0.07965 ++ {0.0} {i.hn} {895.N} 120.89721 0.27505 0.49379 ++ {0.0} {i.n} 0.0 6.9374 1 {} 0
44 {836.H} 7.74821 0.03095 0.05689 ++ {0.0} {i.hn} {836.N} 120.87155 0.29112 0.46964 ++ {0.0} {i.n} 0.0 8.4556 1 {} 0
45 {785.H} 8.23483 0.02272 0.04856 ++ {0.0} {i.hn} {785.N} 120.03482 0.20142 0.44683 ++ {0.0} {i.n} 0.0 34.4613 1 {} 0
46 {902.H} 8.15478 0.03344 0.05689 ++ {0.0} {i.hn} {902.N} 119.99462 0.17315 0.42923 ++ {0.0} {i.n} 0.0 31.3904 1 {} 0
47 {900.H} 8.11135 0.03982 0.05689 ++ {0.0} {i.hn} {900.N} 120.07710 0.14631 0.37889 ++ {0.0} {i.n} 0.0 17.0552 1 {} 0
48 {822.H} 8.39847 0.02852 0.08401 ++ {0.0} {i.hn} {822.N} 119.63994 0.28890 0.47782 ++ {0.0} {i.n} 0.0 8.9935 1 {} 0
49 {823.H} 8.21146 0.02852 0.08401 ++ {0.0} {i.hn} {823.N} 120.38757 0.28890 0.47782 ++ {0.0} {i.n} 0.0 8.9935 1 {} 0
50 {826.H} 7.97880 0.03271 0.08281 ++ {0.0} {i.hn} {826.N} 120.00565 0.22738 0.48113 ++ {0.0} {i.n} 0.0 7.1947 1 {} 0
51 {890.H} 8.30119 0.05262 0.11037 ++ {0.0} {i.hn} {890.N} 119.38016 0.33617 0.59692 ++ {0.0} {i.n} 0.0 6.6184 1 {} 0
52 {887.H} 8.40345 0.04278 0.09580 ++ {0.0} {i.hn} {887.N} 119.06104 0.26385 0.47948 ++ {0.0} {i.n} 0.0 4.3468 1 {} 0
53 {856.H} 8.26901 0.02852 0.08401 ++ {0.0} {i.hn} {856.N} 119.46906 0.28890 0.47782 ++ {0.0} {i.n} 0.0 8.9935 1 {} 0
54 {891.H} 8.36924 0.03968 0.09535 ++ {0.0} {i.hn} {891.N} 118.22656 0.26760 0.51513 ++ {0.0} {i.n} 0.0 6.3479 1 {} 0
55 {791.H} 8.34249 0.05575 0.07965 ++ {0.0} {i.hn} {791.N} 118.00344 0.35527 0.66635 ++ {0.0} {i.n} 0.0 8.1826 1 {} 0
56 {825.H} 8.30111 0.03982 0.05689 ++ {0.0} {i.hn} {825.N} 118.04744 0.21706 0.47096 ++ {0.0} {i.n} 0.0 6.2029 1 {} 0
57 {871.H} 8.22943 0.03361 0.07965 ++ {0.0} {i.hn} {871.N} 117.97035 0.19255 0.48018 ++ {0.0} {i.n} 0.0 7.4930 1 {} 0
58 {867.H} 8.14302 0.03561 0.07762 ++ {0.0} {i.hn} {867.N} 117.75513 0.30932 0.48681 ++ {0.0} {i.n} 0.0 5.1457 1 {} 0
59 {813.H} 8.09145 0.03052 0.07267 ++ {0.0} {i.hn} {813.N} 117.37434 0.31350 0.52440 ++ {0.0} {i.n} 0.0 6.0807 1 {} 0
60 {816.H} 8.03016 0.04722 0.10162 ++ {0.0} {i.hn} {816.N} 117.86203 0.21993 0.47703 ++ {0.0} {i.n} 0.0 5.5577 1 {} 0
61 {896.H} 7.77302 0.03020 0.07828 ++ {0.0} {i.hn} {896.N} 119.17889 0.21212 0.46657 ++ {0.0} {i.n} 0.0 6.3145 1 {} 0
62 {793.H} 7.73172 0.03551 0.06637 ++ {0.0} {i.hn} {793.N} 119.62032 0.31820 0.62710 ++ {0.0} {i.n} 0.0 3.1602 1 {} 0
63 {806.H} 7.74779 0.02690 0.06282 ++ {0.0} {i.hn} {806.N} 120.10848 0.19889 0.36364 ++ {0.0} {i.n} 0.0 6.3963 1 {} 0
64 {893.H} 7.80953 0.04189 0.07965 ++ {0.0} {i.hn} {893.N} 120.02838 0.25008 0.46593 ++ {0.0} {i.n} 0.0 7.3528 1 {} 0
65 {885.H} 7.59588 0.03616 0.07634 ++ {0.0} {i.hn} {885.N} 119.86911 0.33897 0.47282 ++ {0.0} {i.n} 0.0 5.3116 1 {} 0
66 {810.H} 7.60370 0.04408 0.09699 ++ {0.0} {i.hn} {810.N} 119.28675 0.33117 0.46037 ++ {0.0} {i.n} 0.0 5.4164 1 {} 0
67 {886.H} 7.17045 0.03638 0.09639 ++ {0.0} {i.hn} {886.N} 120.13679 0.25473 0.47258 ++ {0.0} {i.n} 0.0 4.3991 1 {} 0
68 {859.H} 6.53364 0.03766 0.07811 ++ {0.0} {i.hn} {859.N} 125.37622 0.29905 0.58414 ++ {0.0} {i.n} 0.0 2.6727 1 {} 0
69 {797.H} 6.85295 0.04142 0.08348 ++ {0.0} {i.hn} {797.N} 121.61040 0.18319 0.45245 ++ {0.0} {i.n} 0.0 9.7888 1 {} 0
70 {845.H} 6.67859 0.02749 0.06591 ++ {0.0} {i.hn} {845.N} 120.06940 0.17986 0.42666 ++ {0.0} {i.n} 0.0 5.7535 1 {} 0
71 {809.H} 6.41419 0.03657 0.08970 ++ {0.0} {i.hn} {809.N} 116.61086 0.21827 0.46024 ++ {0.0} {i.n} 0.0 4.3700 1 {} 0
72 {892.H} 7.68080 0.03259 0.08463 ++ {0.0} {i.hn} {892.N} 118.06158 0.17845 0.42944 ++ {0.0} {i.n} 0.0 6.2472 1 {} 0
73 {818.H} 7.82339 0.03372 0.08070 ++ {0.0} {i.hn} {818.N} 118.28316 0.29343 0.47624 ++ {0.0} {i.n} 0.0 7.3659 1 {} 0
74 {817.H} 7.81754 0.05231 0.10498 ++ {0.0} {i.hn} {817.N} 117.54372 0.29820 0.56202 ++ {0.0} {i.n} 0.0 5.9208 1 {} 0
75 {873.H} 7.87412 0.05870 0.07965 ++ {0.0} {i.hn} {873.N} 117.32909 0.19116 0.62710 ++ {0.0} {i.n} 0.0 4.0739 1 {} 0
76 {889.H} 7.89057 0.02992 0.09328 ++ {0.0} {i.hn} {889.N} 117.88950 0.20753 0.44588 ++ {0.0} {i.n} 0.0 7.9124 1 {} 0
77 {795.H} 7.89537 0.02992 0.09328 ++ {0.0} {i.hn} {795.N} 118.16720 0.20753 0.44588 ++ {0.0} {i.n} 0.0 7.9124 1 {} 0
78 {835.H} 8.16868 0.02992 0.09328 ++ {0.0} {i.hn} {835.N} 116.73602 0.20753 0.44588 ++ {0.0} {i.n} 0.0 7.9124 1 {} 0
79 {884.H} 8.37730 0.03272 0.08830 ++ {0.0} {i.hn} {884.N} 115.55299 0.19676 0.46114 ++ {0.0} {i.n} 0.0 5.5969 1 {} 0
80 {848.H} 8.57551 0.02995 0.08202 ++ {0.0} {i.hn} {848.N} 116.11256 0.25434 0.49699 ++ {0.0} {i.n} 0.0 6.9743 1 {} 0
81 {868.H} 8.59410 0.03393 0.07649 ++ {0.0} {i.hn} {868.N} 115.35622 0.27780 0.46339 ++ {0.0} {i.n} 0.0 6.2873 1 {} 0
82 {821.H} 8.80444 0.04510 0.09037 ++ {0.0} {i.hn} {821.N} 116.25394 0.28059 0.48561 ++ {0.0} {i.n} 0.0 5.6447 1 {} 0
83 {881.H} 9.13998 0.04215 0.09004 ++ {0.0} {i.hn} {881.N} 116.00942 0.26370 0.45786 ++ {0.0} {i.n} 0.0 3.1106 1 {} 0
84 {847.H} 8.60341 0.03536 0.08087 ++ {0.0} {i.hn} {847.N} 112.56904 0.21806 0.42427 ++ {0.0} {i.n} 0.0 3.6188 1 {} 0
85 {833.H} 8.54704 0.03881 0.08975 ++ {0.0} {i.hn} {833.N} 112.02303 0.19971 0.43731 ++ {0.0} {i.n} 0.0 4.1307 1 {} 0
86 {784.H} 8.61257 0.02336 0.05899 ++ {0.0} {i.hn} {784.N} 111.07722 0.16553 0.42104 ++ {0.0} {i.n} 0.0 18.8200 1 {} 0
87 {901.H} 8.44996 0.02959 0.06596 ++ {0.0} {i.hn} {901.N} 111.11493 0.22954 0.46533 ++ {0.0} {i.n} 0.0 20.8923 1 {} 0
88 {899.H} 8.37660 0.02891 0.06885 ++ {0.0} {i.hn} {899.N} 109.27750 0.15984 0.41433 ++ {0.0} {i.n} 0.0 15.0081 1 {} 0
89 {840.H} 8.60989 0.03396 0.08098 ++ {0.0} {i.hn} {840.N} 107.81763 0.20851 0.47140 ++ {0.0} {i.n} 0.0 5.9272 1 {} 0
90 {897.H} 7.78522 0.02939 0.07541 ++ {0.0} {i.hn} {897.N} 114.06554 0.16075 0.41239 ++ {0.0} {i.n} 0.0 10.8663 1 {} 0
91 {834.H} 8.05734 0.03259 0.07872 ++ {0.0} {i.hn} {834.N} 114.81585 0.16963 0.43637 ++ {0.0} {i.n} 0.0 6.6729 1 {} 0
92 {802.H} 7.44439 0.03073 0.06948 ++ {0.0} {i.hn} {802.N} 114.49454 0.31083 0.50578 ++ {0.0} {i.n} 0.0 9.6055 1 {} 0
93 {794.H} 7.42421 0.03964 0.08220 ++ {0.0} {i.hn} {794.N} 113.46033 0.21166 0.44539 ++ {0.0} {i.n} 0.0 3.4988 1 {} 0
94 {819.H} 7.24348 0.03678 0.08411 ++ {0.0} {i.hn} {819.N} 113.42591 0.18334 0.42311 ++ {0.0} {i.n} 0.0 5.7299 1 {} 0
95 {874.H} 7.08992 0.03102 0.06287 ++ {0.0} {i.hn} {874.N} 114.43413 0.18407 0.42902 ++ {0.0} {i.n} 0.0 4.5096 1 {} 0
96 {844.H} 7.14167 0.03399 0.07019 ++ {0.0} {i.hn} {844.N} 114.72797 0.20363 0.45180 ++ {0.0} {i.n} 0.0 6.7307 1 {} 0
97 {796.H} 7.16294 0.03803 0.08667 ++ {0.0} {i.hn} {796.N} 115.26844 0.23448 0.45999 ++ {0.0} {i.n} 0.0 6.1038 1 {} 0
98 {872.H} 7.29865 0.04026 0.08677 ++ {0.0} {i.hn} {872.N} 115.62057 0.27852 0.49440 ++ {0.0} {i.n} 0.0 5.1232 1 {} 0
99 {820.H} 7.43721 0.03463 0.08768 ++ {0.0} {i.hn} {820.N} 115.69109 0.21352 0.42337 ++ {0.0} {i.n} 0.0 5.1966 1 {} 0
100 {888.H} 7.63423 0.05259 0.10058 ++ {0.0} {i.hn} {888.N} 116.90649 0.28794 0.67342 ++ {0.0} {i.n} 0.0 8.2376 1 {} 0
101 {808.H} 7.65637 0.03094 0.06815 ++ {0.0} {i.hn} {808.N} 111.47408 0.23923 0.49359 ++ {0.0} {i.n} 0.0 6.3462 1 {} 0
102 {863.H} 7.83330 0.04379 0.06663 ++ {0.0} {i.hn} {863.N} 111.59668 0.33236 0.51784 ++ {0.0} {i.n} 0.0 1.7012 1 {} 0
103 {894.H} 7.73501 0.03259 0.07068 ++ {0.0} {i.hn} {894.N} 109.84048 0.23449 0.49524 ++ {0.0} {i.n} 0.0 5.1257 1 {} 0
104 {850.H} 7.49205 0.03527 0.06950 ++ {0.0} {i.hn} {850.N} 107.95338 0.19123 0.44531 ++ {0.0} {i.n} 0.0 12.4754 1 {} 0
105 {841.H} 7.90345 0.03584 0.08056 ++ {0.0} {i.hn} {841.N} 108.12000 0.22479 0.47502 ++ {0.0} {i.n} 0.0 7.2994 1 {} 0
106 {860.H} 7.75382 0.05017 0.09443 ++ {0.0} {i.hn} {860.N} 107.21230 0.23929 0.45274 ++ {0.0} {i.n} 0.0 3.1307 1 {} 0
107 {832.H} 8.37794 0.04072 0.08583 ++ {0.0} {i.hn} {832.N} 103.14806 0.18537 0.42460 ++ {0.0} {i.n} 0.0 3.5624 1 {} 0
108 {805.H} 6.85923 0.03043 0.06675 ++ {0.0} {i.hn} {805.N} 99.72155 0.20928 0.46709 ++ {0.0} {i.n} 0.0 7.1768 1 {} 0
109 {831.H} 8.01009 0.04040 0.09057 ++ {0.0} {i.hn} {831.N} 114.77855 0.30227 0.49315 ++ {0.0} {i.n} 0.0 8.4683 1 {} 0
110 {821.HD21} 7.90609 0.02808 0.05419 ++ {0.0} {} {821.ND2} 115.90096 0.23198 0.45834 ++ {0.0} {} 0.0 4.0682 0 {} 0
111 {821.HD22} 7.25197 0.03473 0.06761 ++ {0.0} {} {821.ND2} 115.90350 0.35260 0.49432 ++ {0.0} {} 0.0 4.5244 0 {} 0
112 {791.HD22} 7.00378 0.03301 0.06411 ++ {0.0} {} {791.ND2} 114.89596 0.20788 0.46388 ++ {0.0} {} 0.0 7.6571 0 {} 0
113 {791.HD21} 7.98067 0.04040 0.08174 ++ {0.0} {} {791.ND2} 114.88246 0.30227 0.48307 ++ {0.0} {} 0.0 8.4683 0 {} 0
114 {863.HD22} 6.95465 0.03912 0.06220 ++ {0.0} {} {863.ND2} 113.27176 0.16756 0.25721 ++ {0.0} {} 0.0 2.5854 0 {} 0
115 {863.HD21} 7.74443 0.02909 0.04519 ++ {0.0} {} {863.ND2} 113.27565 0.38202 0.52175 ++ {0.0} {} 0.0 3.0798 0 {} 0
116 {902.HE21} 7.60387 0.02107 0.04538 ++ {0.0} {} {902.NE2} 112.75161 0.19547 0.44663 ++ {0.0} {} 0.0 24.2418 0 {} 0
117 {786.HE21} 7.52685 0.02574 0.04548 ++ {0.0} {} {786.NE2} 112.73400 0.18854 0.41941 ++ {0.0} {} 0.0 24.4862 0 {} 0
118 {882.H} 7.37726 0.03940 0.06987 ++ {0.0} {i.hn} {882.N} 112.72485 0.22731 0.45922 ++ {0.0} {i.n} 0.0 7.1344 0 {} 0
119 {786.HE22} 6.95192 0.01727 0.04117 ++ {0.0} {} {786.NE2} 112.72875 0.20577 0.42787 ++ {0.0} {} 0.0 19.7642 0 {} 0
120 {849.HD22} 6.92642 0.02582 0.05357 ++ {0.0} {} {849.ND2} 112.44007 0.15918 0.38480 ++ {0.0} {} 0.0 10.5616 0 {} 0
121 {849.HD21} 7.56521 0.01986 0.04170 ++ {0.0} {} {849.ND2} 112.44408 0.13135 0.25020 ++ {0.0} {} 0.0 11.9406 0 {} 0
122 {873.HD22} 6.37401 0.05262 0.06156 ++ {0.0} {} {873.ND2} 111.31705 0.23581 0.30061 ++ {0.0} {} 0.0 0.9654 0 {} 0
123 {873.HD21} 7.69080 0.05262 0.06156 ++ {0.0} {} {873.ND2} 111.31705 0.23581 0.30061 ++ {0.0} {} 0.0 0.9654 0 {} 0
124 {829.HE21} 7.47154 0.02756 0.06257 ++ {0.0} {} {829.NE2} 110.74936 0.28983 0.46715 ++ {0.0} {} 0.0 9.2496 0 {} 0
125 {829.HE22} 6.76104 0.03177 0.07382 ++ {0.0} {} {829.NE2} 110.74956 0.29929 0.47562 ++ {0.0} {} 0.0 8.2523 0 {} 0
126 {814.HE21} 6.59422 0.03491 0.07739 ++ {0.0} {} {814.NE2} 109.00053 0.19550 0.45393 ++ {0.0} {} 0.0 4.9069 0 {} 0
127 {814.HE22} 6.12262 0.03232 0.08523 ++ {0.0} {} {814.NE2} 109.00735 0.19140 0.44534 ++ {0.0} {} 0.0 4.4421 0 {} 0
128 {794.HE21} 6.65792 0.03025 0.07686 ++ {0.0} {} {794.NE2} 108.59595 0.23614 0.45679 ++ {0.0} {} 0.0 6.1923 0 {} 0
129 {794.HE22} 5.82384 0.02746 0.06216 ++ {0.0} {} {794.NE2} 108.59918 0.23139 0.43518 ++ {0.0} {} 0.0 6.0069 0 {} 0
130 {902.HE22} 6.83773 0.01979 0.04485 ++ {0.0} {} {902.NE2} 112.77504 0.18999 0.48171 ++ {0.0} {} 0.0 21.6652 0 {} 0
131 {852.HE21} 7.70897 0.03204 0.06127 ++ {0.0} {} {852.NE2} 112.90349 0.18662 0.49897 ++ {0.0} {} 0.0 6.3598 0 {} 0
132 {808.HE22} 7.24972 0.03726 0.04970 ++ {0.0} {} {808.NE2} 111.66554 0.45069 0.54484 ++ {0.0} {} 0.0 1.1402 0 {} 0
133 {808.HE21} 8.28333 0.03384 0.04234 ++ {0.0} {} {808.NE2} 111.65093 0.30837 0.47245 ++ {0.0} {} 0.0 0.9584 0 {} 0
134 {852.HE22} 6.81480 0.03204 0.05971 ++ {0.0} {} {852.NE2} 112.90349 0.18662 0.48587 ++ {0.0} {} 0.0 6.3598 0 {} 0
135 {885.HE22} 7.32461 0.03372 0.06082 ++ {0.0} {} {885.NE2} 112.51223 0.38442 0.58331 ++ {0.0} {} 0.0 1.8162 0 {} 0
136 {864.HE1} 10.36134 0.04186 0.04334 ++ {0.0} {} {864.NE1} 129.30226 0.24680 0.25758 ++ {0.0} {} 0.0 4.5425 0 {} 0
137 {811.HE1} 10.12446 0.03287 0.04479 ++ {0.0} {} {811.NE1} 128.53400 0.24270 0.35290 ++ {0.0} {} 0.0 7.1709 0 {} 0
138 {813.HE1} 9.93030 0.04069 0.04981 ++ {0.0} {} {813.NE1} 126.16018 0.26746 0.33269 ++ {0.0} {} 0.0 5.9171 0 {} 0
139 {793.HE1} 5.49595 0.03755 0.02446 ++ {0.0} {} {793.NE1} 119.41685 0.19969 0.12532 ++ {0.0} {} 0.0 3.1586 0 {} 0
140 {827.H} 8.72090 0.03973 0.08761 ++ {0.0} {i.hn} {827.N} 123.14143 0.31217 0.72790 ++ {0.0} {i.n} 0.0 7.3603 0 {} 0
141 {865.H} 8.76290 0.03973 0.05779 ++ {0.0} {i.hn} {865.N} 123.14143 0.31217 0.42276 ++ {0.0} {i.n} 0.0 7.3603 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(N)   1   .   7000   Hz   .   .   .   .   .   .   27477   1
      2   .   .   N   15   (H)N   1   .   1950   Hz   .   .   .   .   .   .   27477   1
   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Method_ID
      _Spectral_peak_software.Method_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

      1   $NMRView   .   .   27477   1
   stop_
save_