Content for NMR-STAR saveframe, "hnco"
save_hnco
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode hnco
_Spectral_peak_list.Entry_ID 27477
_Spectral_peak_list.ID 2
_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 12
_Spectral_peak_list.Experiment_name '3D HNCO'
_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 .
_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 C13 N15
Itch-Clobe_hnco.nv
3061.7199707 3770.08691406 1949.98303223
599.293029785 150.718002319 60.733001709
HN.L HN.P HN.W HN.B HN.E HN.J HN.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
0 {876.H} 9.35265 0.04031 0.09155 ++ {0.0} {i.hn} {875.C} 173.11197 0.63353 1.19999 ++ {0.0} {i-1.c} {876.N} 130.04533 0.48998 0.93183 ++ {0.0} {i.n} 0.0 12.7560 1 {} 0
1 {875.H} 9.11823 0.03971 0.09720 ++ {0.0} {i.hn} {874.c} 173.96931 0.62562 1.14597 ++ {0.0} {i-1.c} {875.N} 129.52251 0.48644 0.90900 ++ {0.0} {i.n} 0.0 9.5424 1 {} 0
2 {857.H} 9.43369 0.04515 0.11644 ++ {0.0} {i.hn} {856.C} 174.59760 0.62724 1.18437 ++ {0.0} {i-1.c} {857.N} 128.54782 0.49812 0.94710 ++ {0.0} {i.n} 0.0 12.7034 1 {} 0
3 {789.H} 9.21258 0.04536 0.17190 ++ {0.0} {i.hn} {788.C} 175.18594 0.61970 1.18441 ++ {0.0} {i-1.c} {789.N} 129.04117 0.48708 0.92974 ++ {0.0} {i.n} 0.0 13.7449 1 {} 0
4 {903.H} 8.12873 0.02771 0.05608 ++ {0.0} {i.hn} {902.c} 175.13696 0.61029 1.25249 ++ {0.0} {i-1.c} {903.N} 127.42080 0.49256 0.97896 ++ {0.0} {i.n} 0.0 100.3106 1 {} 0
5 {807.H} 9.10192 0.03806 0.10805 ++ {0.0} {i.hn} {806.C} 175.92801 0.62105 1.19536 ++ {0.0} {i-1.c} {807.N} 126.49580 0.48532 0.91217 ++ {0.0} {i.n} 0.0 10.4016 1 {} 0
6 {790.H} 8.76104 0.03588 0.08454 ++ {0.0} {i.hn} {789.C} 176.35260 0.66239 1.16982 ++ {0.0} {i-1.c} {790.N} 126.92197 0.50097 0.95381 ++ {0.0} {i.n} 0.0 13.0473 1 {} 0
7 {837.H} 8.28684 0.03946 0.07790 ++ {0.0} {i.hn} {836.C} 175.34393 0.60375 1.23707 ++ {0.0} {i-1.c} {837.N} 125.50468 0.48996 0.96229 ++ {0.0} {i.n} 0.0 34.8074 1 {} 0
8 {858.H} 7.20917 0.04153 0.08944 ++ {0.0} {i.hn} {857.C} 174.67886 0.67425 1.15814 ++ {0.0} {i-1.c} {858.N} 126.94855 0.49298 0.89513 ++ {0.0} {i.n} 0.0 6.8017 1 {} 0
9 {859.H} 6.53597 0.04214 0.06071 ++ {0.0} {i.hn} {858.C} 175.04872 0.59245 0.89587 ++ {0.0} {i-1.c} {859.N} 125.46337 0.48989 0.80248 ++ {0.0} {i.n} 0.0 3.4628 1 {} 0
10 {877.H} 9.01303 0.03631 0.08332 ++ {0.0} {i.hn} {876.C} 173.98463 0.63290 1.16314 ++ {0.0} {i-1.c} {877.N} 127.07333 0.48925 0.91182 ++ {0.0} {i.n} 0.0 9.1948 1 {} 0
11 {853.H} 8.51944 0.04144 0.09339 ++ {0.0} {i.hn} {852.C} 173.15425 0.67958 1.24033 ++ {0.0} {i-1.c} {853.N} 127.00325 0.48650 0.94020 ++ {0.0} {i.n} 0.0 18.5881 1 {} 0
12 {843.H} 9.36068 0.04010 0.07745 ++ {0.0} {i.hn} {842.C} 178.56737 0.60847 1.25131 ++ {0.0} {i-1.c} {843.N} 123.67332 0.50052 0.95936 ++ {0.0} {i.n} 0.0 15.0453 1 {} 0
13 {846.H} 9.03297 0.04210 0.09702 ++ {0.0} {i.hn} {845.C} 176.66687 0.60859 1.16340 ++ {0.0} {i-1.c} {846.N} 123.55261 0.50065 0.96641 ++ {0.0} {i.n} 0.0 17.9887 1 {} 0
14 {852.H} 8.43276 0.03316 0.07902 ++ {0.0} {i.hn} {851.C} 176.94707 0.67244 1.19666 ++ {0.0} {i-1.c} {852.N} 125.25513 0.51714 0.97550 ++ {0.0} {i.n} 0.0 11.0254 1 {} 0
15 {788.H} 8.40233 0.03440 0.07620 ++ {0.0} {i.hn} {787.C} 176.26779 0.70421 1.25159 ++ {0.0} {i-1.c} {788.N} 124.20306 0.52099 1.21647 ++ {0.0} {i.n} 0.0 21.0905 1 {} 0
16 {880.H} 8.29521 0.03409 0.07490 ++ {0.0} {i.hn} {879.C} 175.22618 0.66833 1.19790 ++ {0.0} {i-1.c} {880.N} 123.98222 0.51442 0.98385 ++ {0.0} {i.n} 0.0 14.3297 1 {} 0
17 {829.H} 8.78249 0.03360 0.08190 ++ {0.0} {i.hn} {828.C} 180.53502 0.63077 1.21192 ++ {0.0} {i-1.c} {829.N} 123.05381 0.49927 0.96796 ++ {0.0} {i.n} 0.0 20.4657 1 {} 0
18 {839.H} 8.68610 0.03563 0.08438 ++ {0.0} {i.hn} {838.C} 178.02074 0.63440 1.45068 ++ {0.0} {i-1.c} {839.N} 123.04510 0.49810 0.97687 ++ {0.0} {i.n} 0.0 32.2773 1 {} 0
19 {815.H} 8.74060 0.03954 0.07396 ++ {0.0} {i.hn} {814.C} 177.50128 0.63451 1.14972 ++ {0.0} {i-1.c} {815.N} 122.82761 0.49543 0.92451 ++ {0.0} {i.n} 0.0 9.3565 1 {} 0
20 {830.H} 8.82806 0.03933 0.09125 ++ {0.0} {i.hn} {829.C} 178.63937 0.64534 1.20651 ++ {0.0} {i-1.c} {830.N} 122.51157 0.48625 0.94155 ++ {0.0} {i.n} 0.0 19.6820 1 {} 0
21 {812.H} 8.46765 0.03225 0.07709 ++ {0.0} {i.hn} {811.C} 177.21988 0.63923 1.21763 ++ {0.0} {i-1.c} {812.N} 122.51347 0.48952 0.94736 ++ {0.0} {i.n} 0.0 19.3652 1 {} 0
22 {792.H} 7.86396 0.03280 0.07884 ++ {0.0} {i.hn} {791.C} 177.37854 0.66292 1.18245 ++ {0.0} {i-1.c} {792.N} 122.08699 0.50107 0.94992 ++ {0.0} {i.n} 0.0 12.0258 1 {} 0
23 {854.H} 9.40451 0.04263 0.10283 ++ {0.0} {i.hn} {853.C} 176.00896 0.65604 1.17467 ++ {0.0} {i-1.c} {854.N} 123.01246 0.48500 0.91759 ++ {0.0} {i.n} 0.0 11.5982 1 {} 0
24 {800.H} 9.12290 0.03844 0.08852 ++ {0.0} {i.hn} {799.c} 176.08629 0.61991 1.14823 ++ {0.0} {i-1.c} {800.N} 122.97741 0.49685 0.94751 ++ {0.0} {i.n} 0.0 13.4789 1 {} 0
25 {786.H} 8.42510 0.03034 0.06196 ++ {0.0} {i.hn} {785.C} 175.88266 0.59857 1.23918 ++ {0.0} {i-1.c} {786.N} 122.18848 0.51262 1.90058 ++ {0.0} {i.n} 0.0 65.6361 1 {} 0
26 {787.H} 8.38190 0.02761 0.06070 ++ {0.0} {i.hn} {786.C} 175.31818 0.71540 1.35089 ++ {0.0} {i-1.c} {787.N} 122.96091 0.49603 0.98266 ++ {0.0} {i.n} 0.0 66.1541 1 {} 0
27 {855.H} 8.48531 0.03559 0.09487 ++ {0.0} {i.hn} {854.C} 173.77277 0.62290 1.23601 ++ {0.0} {i-1.c} {855.N} 121.54146 0.49466 0.95425 ++ {0.0} {i.n} 0.0 17.6808 1 {} 0
28 {799.H} 8.33231 0.03640 0.09090 ++ {0.0} {i.hn} {798.c} 173.70865 0.65245 1.26129 ++ {0.0} {i-1.c} {799.N} 121.52744 0.50231 0.97938 ++ {0.0} {i.n} 0.0 24.9461 1 {} 0
29 {797.H} 6.85738 0.03014 0.06728 ++ {0.0} {i.hn} {796.C} 172.47345 0.63246 1.32678 ++ {0.0} {i-1.c} {797.N} 121.53509 0.49617 0.97750 ++ {0.0} {i.n} 0.0 41.8997 1 {} 0
30 {883.H} 7.75378 0.03702 0.08681 ++ {0.0} {i.hn} {882.C} 172.14020 0.64605 1.23730 ++ {0.0} {i-1.c} {883.N} 122.01264 0.48211 0.93566 ++ {0.0} {i.n} 0.0 21.1524 1 {} 0
31 {811.H} 8.64905 0.03202 0.07703 ++ {0.0} {i.hn} {810.c} 181.12576 0.62899 1.17140 ++ {0.0} {i-1.c} {811.N} 119.49619 0.48615 0.94375 ++ {0.0} {i.n} 0.0 21.3363 1 {} 0
32 {824.H} 8.70070 0.03351 0.09779 ++ {0.0} {i.hn} {823.C} 179.03831 0.66572 1.25380 ++ {0.0} {i-1.c} {824.N} 120.02289 0.49694 0.96619 ++ {0.0} {i.n} 0.0 22.4827 1 {} 0
33 {823.H} 8.22095 0.03561 0.07878 ++ {0.0} {i.hn} {822.C} 179.48820 0.67348 1.19760 ++ {0.0} {i-1.c} {823.N} 120.35254 0.49848 0.95674 ++ {0.0} {i.n} 0.0 15.5287 1 {} 0
34 {890.H} 8.29917 0.03583 0.08911 ++ {0.0} {i.hn} {889.C} 179.18100 0.64481 1.19474 ++ {0.0} {i-1.c} {890.N} 119.46503 0.48911 0.94560 ++ {0.0} {i.n} 0.0 18.7875 1 {} 0
35 {804.H} 8.98469 0.03189 0.07520 ++ {0.0} {i.hn} {803.c} 178.02164 0.68228 1.22994 ++ {0.0} {i-1.c} {804.N} 119.59889 0.50684 0.97476 ++ {0.0} {i.n} 0.0 16.3200 1 {} 0
36 {828.H} 8.69639 0.03221 0.09423 ++ {0.0} {i.hn} {827.C} 178.08864 0.62422 1.16895 ++ {0.0} {i-1.c} {828.N} 121.01476 0.49003 0.95445 ++ {0.0} {i.n} 0.0 23.9750 1 {} 0
37 {826.H} 7.98158 0.03597 0.09206 ++ {0.0} {i.hn} {825.C} 178.69084 0.64626 1.22370 ++ {0.0} {i-1.c} {826.N} 120.01153 0.49246 0.96261 ++ {0.0} {i.n} 0.0 27.6575 1 {} 0
38 {893.H} 7.81192 0.03381 0.07578 ++ {0.0} {i.hn} {892.c} 177.81917 0.66125 1.25146 ++ {0.0} {i-1.c} {893.N} 120.01370 0.50319 0.98358 ++ {0.0} {i.n} 0.0 27.6565 1 {} 0
39 {885.H} 7.59843 0.04067 0.08984 ++ {0.0} {i.hn} {884.c} 178.67632 0.61943 1.18979 ++ {0.0} {i-1.c} {885.N} 119.97557 0.48460 0.93828 ++ {0.0} {i.n} 0.0 19.6426 1 {} 0
40 {798.H} 8.88252 0.03903 0.08615 ++ {0.0} {i.hn} {797.c} 176.70331 0.62024 1.15323 ++ {0.0} {i-1.c} {798.N} 120.62723 0.50939 0.96563 ++ {0.0} {i.n} 0.0 12.0109 1 {} 0
41 {822.H} 8.40198 0.03467 0.07737 ++ {0.0} {i.hn} {821.C} 177.07018 0.63952 1.25739 ++ {0.0} {i-1.c} {822.N} 119.49677 0.63724 1.90998 ++ {0.0} {i.n} 0.0 35.5101 1 {} 0
42 {895.H} 7.68822 0.03153 0.08795 ++ {0.0} {i.hn} {894.C} 176.88844 0.63735 1.24002 ++ {0.0} {i-1.c} {895.N} 120.96321 0.49240 0.95504 ++ {0.0} {i.n} 0.0 20.7340 1 {} 0
43 {886.H} 7.17189 0.04259 0.09484 ++ {0.0} {i.hn} {885.C} 176.10648 0.66222 1.22541 ++ {0.0} {i-1.c} {886.N} 120.03247 0.50152 0.96117 ++ {0.0} {i.n} 0.0 15.0090 1 {} 0
44 {900.H} 8.11292 0.02944 0.06164 ++ {0.0} {i.hn} {899.c} 174.14847 0.62166 1.20085 ++ {0.0} {i-1.c} {900.N} 120.02570 0.49550 0.98455 ++ {0.0} {i.n} 0.0 96.3475 1 {} 0
45 {806.H} 7.75305 0.03645 0.07826 ++ {0.0} {i.hn} {805.C} 175.53047 0.67777 1.28761 ++ {0.0} {i-1.c} {806.N} 120.02302 0.49605 0.97361 ++ {0.0} {i.n} 0.0 33.6281 1 {} 0
46 {845.H} 6.68163 0.02907 0.06788 ++ {0.0} {i.hn} {844.C} 175.10693 0.61966 1.23704 ++ {0.0} {i-1.c} {845.N} 120.02321 0.49512 0.96900 ++ {0.0} {i.n} 0.0 29.2187 1 {} 0
47 {803.H} 8.83101 0.03756 0.09216 ++ {0.0} {i.hn} {802.C} 173.91167 0.63222 1.19187 ++ {0.0} {i-1.c} {803.N} 120.90395 0.49129 0.93996 ++ {0.0} {i.n} 0.0 14.4475 1 {} 0
48 {785.H} 8.23659 0.02692 0.05529 ++ {0.0} {i.hn} {784.c} 173.99580 0.63045 1.27023 ++ {0.0} {i-1.c} {785.N} 120.01553 0.49900 0.99424 ++ {0.0} {i.n} 0.0 166.0110 1 {} 0
49 {836.H} 7.75099 0.02956 0.07041 ++ {0.0} {i.hn} {835.C} 172.93144 0.65089 1.26124 ++ {0.0} {i-1.c} {836.N} 120.95934 0.49054 0.96406 ++ {0.0} {i.n} 0.0 36.1156 1 {} 0
50 {856.H} 8.26155 0.03958 0.09476 ++ {0.0} {i.hn} {855.C} 172.31281 0.60818 1.19543 ++ {0.0} {i-1.c} {856.N} 119.50955 0.49711 0.95870 ++ {0.0} {i.n} 0.0 17.5359 1 {} 0
51 {791.H} 8.34841 0.03313 0.07336 ++ {0.0} {i.hn} {790.C} 179.07219 0.69517 0.99310 ++ {0.0} {i-1.c} {791.N} 118.00844 0.51257 1.21590 ++ {0.0} {i.n} 0.0 34.6818 1 {} 0
52 {889.H} 7.88986 0.03838 0.08020 ++ {0.0} {i.hn} {888.C} 179.72484 0.80002 1.36242 ++ {0.0} {i-1.c} {889.N} 117.95772 0.48528 0.93399 ++ {0.0} {i.n} 0.0 16.6245 1 {} 0
53 {795.H} 7.89862 0.03120 0.07332 ++ {0.0} {i.hn} {794.C} 179.17006 0.77001 1.44916 ++ {0.0} {i-1.c} {795.N} 118.02586 0.50041 0.96683 ++ {0.0} {i.n} 0.0 18.4539 1 {} 0
54 {892.H} 7.68077 0.03362 0.07914 ++ {0.0} {i.hn} {891.C} 179.22296 0.63415 1.19913 ++ {0.0} {i-1.c} {892.N} 118.01302 0.49843 0.97383 ++ {0.0} {i.n} 0.0 27.1273 1 {} 0
55 {870.H} 9.04341 0.03353 0.08828 ++ {0.0} {i.hn} {869.C} 177.26996 0.64061 1.15141 ++ {0.0} {i-1.c} {870.N} 119.13953 0.51116 0.97064 ++ {0.0} {i.n} 0.0 12.3950 1 {} 0
56 {825.H} 8.30112 0.03398 0.09774 ++ {0.0} {i.hn} {824.C} 178.39058 0.63933 1.24798 ++ {0.0} {i-1.c} {825.N} 118.01080 0.49614 0.96969 ++ {0.0} {i.n} 0.0 27.5175 1 {} 0
57 {871.H} 8.23048 0.03697 0.07923 ++ {0.0} {i.hn} {870.C} 177.70227 0.63092 1.25479 ++ {0.0} {i-1.c} {871.N} 118.00173 0.48744 0.95454 ++ {0.0} {i.n} 0.0 30.0345 1 {} 0
58 {818.H} 7.82853 0.03832 0.08081 ++ {0.0} {i.hn} {817.C} 177.34154 0.61000 1.26485 ++ {0.0} {i-1.c} {818.N} 118.37626 0.49535 0.95932 ++ {0.0} {i.n} 0.0 19.7790 1 {} 0
59 {817.H} 7.81990 0.03859 0.09785 ++ {0.0} {i.hn} {816.C} 177.31064 0.60369 1.17159 ++ {0.0} {i-1.c} {817.N} 117.58018 0.49722 0.97393 ++ {0.0} {i.n} 0.0 30.3758 1 {} 0
60 {896.H} 7.76656 0.03196 0.07230 ++ {0.0} {i.hn} {895.C} 177.40573 0.61792 1.19223 ++ {0.0} {i-1.c} {896.N} 119.05906 0.49848 0.97535 ++ {0.0} {i.n} 0.0 28.9219 1 {} 0
61 {810.H} 7.60632 0.03536 0.07449 ++ {0.0} {i.hn} {809.C} 177.31300 0.63822 1.18256 ++ {0.0} {i-1.c} {810.N} 119.22177 0.50479 0.95744 ++ {0.0} {i.n} 0.0 12.1318 1 {} 0
62 {862.H} 8.95334 0.03428 0.08584 ++ {0.0} {i.hn} {861.C} 176.56958 0.61673 1.17710 ++ {0.0} {i-1.c} {862.N} 117.53523 0.48519 0.93171 ++ {0.0} {i.n} 0.0 15.7252 1 {} 0
63 {816.H} 8.03204 0.03529 0.08708 ++ {0.0} {i.hn} {815.C} 176.44843 0.66167 1.23427 ++ {0.0} {i-1.c} {816.N} 117.94418 0.48815 0.94014 ++ {0.0} {i.n} 0.0 16.9207 1 {} 0
64 {813.H} 8.09284 0.04184 0.09672 ++ {0.0} {i.hn} {812.C} 176.25021 0.65832 1.24044 ++ {0.0} {i-1.c} {813.N} 117.46208 0.49451 0.95641 ++ {0.0} {i.n} 0.0 19.0115 1 {} 0
65 {842.H} 9.43863 0.03654 0.10037 ++ {0.0} {i.hn} {841.C} 174.25021 0.64035 1.22141 ++ {0.0} {i-1.c} {842.N} 118.99344 0.48391 0.93274 ++ {0.0} {i.n} 0.0 17.2875 1 {} 0
66 {887.H} 8.41196 0.04123 0.09739 ++ {0.0} {i.hn} {886.C} 176.84061 0.68601 1.15708 ++ {0.0} {i-1.c} {887.N} 119.01101 0.49518 0.92438 ++ {0.0} {i.n} 0.0 9.4065 1 {} 0
67 {849.H} 8.83759 0.03090 0.07512 ++ {0.0} {i.hn} {848.C} 175.52100 0.64006 1.28560 ++ {0.0} {i-1.c} {849.N} 117.96037 0.49863 0.97490 ++ {0.0} {i.n} 0.0 27.9501 1 {} 0
68 {867.H} 8.14508 0.03700 0.09098 ++ {0.0} {i.hn} {866.C} 175.03801 0.62959 1.18598 ++ {0.0} {i-1.c} {867.N} 117.70818 0.50554 0.95721 ++ {0.0} {i.n} 0.0 11.7626 1 {} 0
69 {869.H} 8.89689 0.04159 0.09802 ++ {0.0} {i.hn} {868.c} 173.49776 0.62741 1.20739 ++ {0.0} {i-1.c} {869.N} 118.53654 0.49617 0.95506 ++ {0.0} {i.n} 0.0 16.6776 1 {} 0
70 {873.H} 7.87919 0.03718 0.08130 ++ {0.0} {i.hn} {872.c} 173.21454 0.64968 1.24290 ++ {0.0} {i-1.c} {873.N} 117.43394 0.48753 0.93466 ++ {0.0} {i.n} 0.0 15.1259 1 {} 0
71 {796.H} 7.16645 0.04257 0.08241 ++ {0.0} {i.hn} {795.c} 177.41324 0.63873 1.15679 ++ {0.0} {i-1.c} {796.N} 115.28687 0.49791 0.94548 ++ {0.0} {i.n} 0.0 12.3964 1 {} 0
72 {881.H} 9.14110 0.04034 0.12574 ++ {0.0} {i.hn} {880.C} 176.15514 0.65683 1.17897 ++ {0.0} {i-1.c} {881.N} 116.00360 0.49550 0.94758 ++ {0.0} {i.n} 0.0 14.2998 1 {} 0
73 {821.H} 8.80679 0.03609 0.07923 ++ {0.0} {i.hn} {820.C} 176.69348 0.66454 1.16704 ++ {0.0} {i-1.c} {821.N} 116.19498 0.51309 0.97374 ++ {0.0} {i.n} 0.0 12.2595 1 {} 0
74 {884.H} 8.38071 0.03668 0.09857 ++ {0.0} {i.hn} {883.c} 175.87657 0.62188 1.31589 ++ {0.0} {i-1.c} {884.N} 115.50835 0.49212 0.96147 ++ {0.0} {i.n} 0.0 27.0894 1 {} 0
75 {888.H} 7.63891 0.03274 0.12066 ++ {0.0} {i.hn} {887.C} 176.91603 0.61454 1.21016 ++ {0.0} {i-1.c} {888.N} 116.99212 0.48298 0.94465 ++ {0.0} {i.n} 0.0 28.4031 1 {} 0
76 {809.H} 6.41800 0.03701 0.10826 ++ {0.0} {i.hn} {808.C} 177.01245 0.61806 1.17909 ++ {0.0} {i-1.c} {809.N} 116.51662 0.49348 0.94905 ++ {0.0} {i.n} 0.0 16.3179 1 {} 0
77 {848.H} 8.57831 0.03186 0.07813 ++ {0.0} {i.hn} {847.C} 175.14787 0.60491 1.24495 ++ {0.0} {i-1.c} {848.N} 116.02108 0.50135 0.98207 ++ {0.0} {i.n} 0.0 30.4517 1 {} 0
78 {820.H} 7.44065 0.03716 0.09658 ++ {0.0} {i.hn} {819.c} 174.08908 0.65219 1.29979 ++ {0.0} {i-1.c} {820.N} 115.56357 0.51691 1.00123 ++ {0.0} {i.n} 0.0 19.8779 1 {} 0
79 {872.H} 7.30345 0.04200 0.09272 ++ {0.0} {i.hn} {871.C} 174.39900 0.66539 1.25103 ++ {0.0} {i-1.c} {872.N} 115.52528 0.49806 0.96375 ++ {0.0} {i.n} 0.0 19.2891 1 {} 0
80 {868.H} 8.59482 0.03555 0.09224 ++ {0.0} {i.hn} {867.C} 173.60994 0.64627 1.26450 ++ {0.0} {i-1.c} {868.N} 115.44847 0.49105 0.95568 ++ {0.0} {i.n} 0.0 23.2988 1 {} 0
81 {835.H} 8.17081 0.03388 0.08340 ++ {0.0} {i.hn} {834.c} 170.72964 0.64341 1.24244 ++ {0.0} {i-1.c} {835.N} 116.61008 0.50399 0.97950 ++ {0.0} {i.n} 0.0 22.1801 1 {} 0
82 {844.H} 7.14635 0.03490 0.07642 ++ {0.0} {i.hn} {843.c} 178.79994 0.66375 1.19897 ++ {0.0} {i-1.c} {844.N} 114.61493 0.51031 0.98431 ++ {0.0} {i.n} 0.0 17.6110 1 {} 0
83 {794.H} 7.42856 0.04352 0.08899 ++ {0.0} {i.hn} {793.C} 177.56102 0.64730 1.16009 ++ {0.0} {i-1.c} {794.N} 113.48508 0.48520 0.91409 ++ {0.0} {i.n} 0.0 10.7997 1 {} 0
84 {819.H} 7.24772 0.03735 0.09039 ++ {0.0} {i.hn} {818.C} 177.88797 0.60820 1.20760 ++ {0.0} {i-1.c} {819.N} 113.48035 0.48680 0.95033 ++ {0.0} {i.n} 0.0 26.2289 1 {} 0
85 {897.H} 7.78718 0.03548 0.07615 ++ {0.0} {i.hn} {896.C} 176.89937 0.67920 1.29294 ++ {0.0} {i-1.c} {897.N} 114.00674 0.50288 0.99407 ++ {0.0} {i.n} 0.0 53.9633 1 {} 0
86 {834.H} 8.06086 0.03742 0.08292 ++ {0.0} {i.hn} {833.C} 173.29066 0.60199 1.17917 ++ {0.0} {i-1.c} {834.N} 114.91492 0.49342 0.95843 ++ {0.0} {i.n} 0.0 21.7565 1 {} 0
87 {802.H} 7.44578 0.03560 0.06984 ++ {0.0} {i.hn} {801.C} 172.58929 0.64649 1.31439 ++ {0.0} {i-1.c} {802.N} 114.49353 0.49149 0.97019 ++ {0.0} {i.n} 0.0 48.1074 1 {} 0
88 {874.H} 7.09158 0.03507 0.09723 ++ {0.0} {i.hn} {873.C} 171.75977 0.66789 1.25802 ++ {0.0} {i-1.c} {874.N} 114.48322 0.48251 0.93709 ++ {0.0} {i.n} 0.0 21.6472 1 {} 0
89 {847.H} 8.60697 0.04007 0.10044 ++ {0.0} {i.hn} {846.C} 177.32088 0.63786 1.16337 ++ {0.0} {i-1.c} {847.N} 112.49982 0.50346 0.97450 ++ {0.0} {i.n} 0.0 19.4622 1 {} 0
90 {833.H} 8.55081 0.03898 0.09070 ++ {0.0} {i.hn} {832.C} 177.04129 0.68095 1.25902 ++ {0.0} {i-1.c} {833.N} 111.99586 0.50504 0.97901 ++ {0.0} {i.n} 0.0 20.3747 1 {} 0
91 {808.H} 7.65727 0.03500 0.08566 ++ {0.0} {i.hn} {807.C} 176.44574 0.65298 1.23804 ++ {0.0} {i-1.c} {808.N} 111.47901 0.49187 0.96016 ++ {0.0} {i.n} 0.0 26.1439 1 {} 0
92 {863.H} 7.83068 0.04011 0.03818 ++ {0.0} {i.hn} {862.C} 173.61092 0.64336 0.62422 ++ {0.0} {i-1.c} {863.N} 111.52610 0.50498 0.48209 ++ {0.0} {i.n} 0.0 1.1989 1 {} 0
93 {894.H} 7.73861 0.03438 0.07749 ++ {0.0} {i.hn} {893.c} 179.61777 0.64487 1.19467 ++ {0.0} {i-1.c} {894.N} 109.91622 0.49792 0.95201 ++ {0.0} {i.n} 0.0 14.2385 1 {} 0
94 {901.H} 8.45202 0.03613 0.06754 ++ {0.0} {i.hn} {900.c} 176.47775 0.61115 1.24262 ++ {0.0} {i-1.c} {901.N} 111.01893 0.50368 0.99990 ++ {0.0} {i.n} 0.0 84.4558 1 {} 0
95 {899.H} 8.38090 0.03137 0.07350 ++ {0.0} {i.hn} {898.c} 176.89606 0.66900 1.26753 ++ {0.0} {i-1.c} {899.N} 109.39895 0.49124 0.97068 ++ {0.0} {i.n} 0.0 52.1270 1 {} 0
96 {784.H} 8.61362 0.03113 0.06612 ++ {0.0} {i.hn} {783.C} 174.95331 0.59108 1.21784 ++ {0.0} {i-1.c} {784.N} 110.99777 0.50013 0.99374 ++ {0.0} {i.n} 0.0 96.2438 1 {} 0
97 {840.H} 8.61085 0.03308 0.08500 ++ {0.0} {i.hn} {839.C} 177.63951 0.69604 1.25547 ++ {0.0} {i-1.c} {840.N} 107.92545 0.49075 0.94906 ++ {0.0} {i.n} 0.0 18.9641 1 {} 0
98 {841.H} 7.90672 0.03778 0.07958 ++ {0.0} {i.hn} {840.C} 174.81677 0.63256 1.26890 ++ {0.0} {i-1.c} {841.N} 108.00941 0.49926 0.97389 ++ {0.0} {i.n} 0.0 25.4008 1 {} 0
99 {850.H} 7.49779 0.03345 0.06875 ++ {0.0} {i.hn} {849.C} 174.50224 0.61830 1.26550 ++ {0.0} {i-1.c} {850.N} 107.96959 0.48843 0.96623 ++ {0.0} {i.n} 0.0 57.5390 1 {} 0
100 {860.H} 7.75613 0.04304 0.08922 ++ {0.0} {i.hn} {859.C} 173.75644 0.66378 1.13775 ++ {0.0} {i-1.c} {860.N} 107.11556 0.50412 0.92002 ++ {0.0} {i.n} 0.0 7.1619 1 {} 0
101 {832.H} 8.38213 0.03759 0.08361 ++ {0.0} {i.hn} {831.C} 174.39606 0.63117 1.15715 ++ {0.0} {i-1.c} {832.N} 103.02521 0.50679 0.95790 ++ {0.0} {i.n} 0.0 11.4078 1 {} 0
102 {805.H} 6.86143 0.03573 0.07552 ++ {0.0} {i.hn} {804.C} 175.38156 0.62103 1.21054 ++ {0.0} {i-1.c} {805.N} 99.78663 0.50330 0.96740 ++ {0.0} {i.n} 0.0 16.0910 1 {} 0
103 {898.H} 8.38846 0.02761 0.06070 ++ {0.0} {i.hn} {897.C} 174.64162 0.71540 1.35089 ++ {0.0} {i-1.c} {898.N} 122.96091 0.49603 0.98266 ++ {0.0} {i.n} 0.0 66.1541 1 {} 0
104 {814.H} 8.20341 0.03553 0.08086 ++ {0.0} {i.hn} {813.C} 178.90018 0.68222 1.26139 ++ {0.0} {i-1.c} {814.N} 122.54570 0.49735 0.96844 ++ {0.0} {i.n} 0.0 23.7256 1 {} 0
105 {902.H} 8.15783 0.02985 0.05822 ++ {0.0} {i.hn} {901.c} 173.82132 0.60785 1.26645 ++ {0.0} {i-1.c} {902.N} 120.01064 0.48983 0.97559 ++ {0.0} {i.n} 0.0 151.1316 1 {} 0
106 {801.H} 9.17285 0.04123 0.09739 ++ {0.0} {i.hn} {800.c} 175.18599 0.68601 1.15708 ++ {0.0} {i-1.c} {801.N} 119.01101 0.49518 0.92438 ++ {0.0} {i.n} 0.0 9.4065 1 {} 0
107 {882.H} 7.38115 0.03279 0.06596 ++ {0.0} {i.hn} {881.C} 176.12907 0.65050 1.13612 ++ {0.0} {i-1.c} {882.N} 112.61288 0.56444 1.04929 ++ {0.0} {i.n} 0.0 17.3603 0 {} 0
108 {} 7.53211 0.02476 0.04250 ++ {0.0} {} {} 180.48459 0.64648 1.16883 ++ {0.0} {} {} 112.19174 0.58971 1.44043 ++ {0.0} {} 0.0 7.8600 0 {} 0
109 {} 6.95385 0.02577 0.04715 ++ {0.0} {} {} 180.46642 0.65478 1.21869 ++ {0.0} {} {} 112.06744 0.59104 1.71841 ++ {0.0} {} 0.0 8.1190 0 {} 0
110 {} 6.66181 0.02940 0.05130 ++ {0.0} {} {} 179.85187 0.64762 1.14296 ++ {0.0} {} {} 107.99031 0.56341 1.09382 ++ {0.0} {} 0.0 5.7296 0 {} 0
111 {} 6.59446 0.02946 0.05129 ++ {0.0} {} {} 179.18501 0.65311 1.14321 ++ {0.0} {} {} 108.48268 0.52535 0.97058 ++ {0.0} {} 0.0 5.2598 0 {} 0
112 {} 7.47478 0.02762 0.04674 ++ {0.0} {} {} 179.00517 0.64481 1.09266 ++ {0.0} {} {} 110.28745 0.54280 0.99719 ++ {0.0} {} 0.0 4.9244 0 {} 0
113 {} 6.37928 0.03213 0.04263 ++ {0.0} {} {} 175.73177 0.63669 0.78518 ++ {0.0} {} {} 110.82578 0.55381 0.73911 ++ {0.0} {} 0.0 1.2054 0 {} 0
114 {} 7.25419 0.03055 0.04446 ++ {0.0} {} {} 179.92079 0.70260 1.04457 ++ {0.0} {} {} 111.01956 0.59466 0.97606 ++ {0.0} {} 0.0 2.2366 0 {} 0
115 {} 6.93193 0.02556 0.04795 ++ {0.0} {} {} 177.75606 0.64638 1.19272 ++ {0.0} {} {} 111.95167 0.55179 1.05666 ++ {0.0} {} 0.0 9.4332 0 {} 0
116 {} 7.32681 0.02711 0.04212 ++ {0.0} {} {} 178.71922 0.64402 0.99337 ++ {0.0} {} {} 111.99153 0.51188 0.87338 ++ {0.0} {} 0.0 2.7300 0 {} 0
117 {} 7.60667 0.02529 0.04473 ++ {0.0} {} {} 180.67694 0.63434 1.15367 ++ {0.0} {} {} 112.30793 0.50364 0.95942 ++ {0.0} {} 0.0 8.4394 0 {} 0
118 {} 7.71339 0.02724 0.04758 ++ {0.0} {} {} 179.97694 0.68236 1.23396 ++ {0.0} {} {} 112.46563 0.55749 1.04160 ++ {0.0} {} 0.0 6.0935 0 {} 0
119 {} 6.93193 0.02556 0.04264 ++ {0.0} {} {} 177.75606 0.64638 1.03084 ++ {0.0} {} {} 111.95167 0.55179 0.96040 ++ {0.0} {} 0.0 9.4332 0 {} 0
120 {} 7.74573 0.02679 0.02815 ++ {0.0} {} {} 178.12666 0.65967 0.68857 ++ {0.0} {} {} 112.85077 0.54002 0.57491 ++ {0.0} {} 0.0 2.6167 0 {} 0
121 {} 7.99261 0.04810 0.07175 ++ {0.0} {} {} 176.39833 0.66619 1.12004 ++ {0.0} {} {} 114.58028 0.59151 1.05817 ++ {0.0} {} 0.0 11.5962 0 {} 0
122 {821.HD22} 7.25724 0.02953 0.04207 ++ {0.0} {} {821.CG} 176.11397 0.65483 0.91112 ++ {0.0} {} {821.ND2} 115.44750 0.54214 0.82065 ++ {0.0} {} 0.0 5.0335 0 {} 0
123 {} 7.01070 0.02768 0.04204 ++ {0.0} {} {} 176.42763 0.65158 0.95701 ++ {0.0} {} {} 114.43369 0.56620 0.92098 ++ {0.0} {} 0.0 6.5552 0 {} 0
124 {793.H} 7.74656 0.03515 0.04531 ++ {0.0} {i.hn} {792.C} 177.30573 0.65177 0.82121 ++ {0.0} {i-1.c} {793.N} 119.05906 0.54832 0.75091 ++ {0.0} {i.n} 0.0 28.9219 0 {} 0
125 {827.H} 8.70821 0.03682 0.10646 ++ {0.0} {i.hn} {826.C} 179.16637 0.64386 1.34681 ++ {0.0} {i-1.c} {827.N} 123.05278 0.54837 1.07248 ++ {0.0} {i.n} 0.0 18.1338 0 {} 0
126 {865.H} 8.77047 0.05410 0.19440 ++ {0.0} {i.hn} {864.C} 176.82703 0.71600 1.68407 ++ {0.0} {i-1.c} {865.N} 123.02068 0.49390 0.94291 ++ {0.0} {i.n} 0.0 8.8228 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 2
2 . . C 13 C 1 . 3770 Hz . . . . . . 27477 2
3 . . N 15 (H)N 1 . 1950 Hz . . . . . . 27477 2
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 2
stop_
save_