Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 30871
_Spectral_peak_list.ID 2
_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 1
_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
;
1H-13C NOESY. Includes both aliphatic and aromatic CH through multiple aliasing on 13C dimension.
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
hncacb.nv
2101.41186523 9650.18066406 1400.02099609
599.607971191 150.776992798 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 {} 6.49345 0.02050 0.00138 ++ {0.0} {} {} 49.57879 0.84386 0.03916 ++ {0.0} {} {} 130.67320 0.62233 0.02888 ++ {0.0} {} 0.0 -0.0294 1 {} 0 0 0
1 {} 8.04326 0.01214 0.00026 ++ {0.0} {} {} 43.50120 0.54677 0.02588 ++ {0.0} {} {} 130.67427 0.99257 0.03328 ++ {0.0} {} 0.0 0.0290 1 {} 0 0 0
2 {} 8.21704 0.01821 0.00160 ++ {0.0} {} {} 33.13524 0.87869 0.07339 ++ {0.0} {} {} 130.72334 1.16574 0.17037 ++ {0.0} {} 0.0 -0.0300 1 {} 0 0 0
3 {} 8.05890 0.02845 0.00316 ++ {0.0} {} {} 33.10701 0.94112 0.15684 ++ {0.0} {} {} 130.80219 1.04251 0.17506 ++ {0.0} {} 0.0 -0.0313 1 {} 0 0 0
4 {} 8.09704 0.01229 0.00064 ++ {0.0} {} {} 70.77283 0.68247 0.03573 ++ {0.0} {} {} 130.22386 0.59992 0.03141 ++ {0.0} {} 0.0 -0.0295 1 {} 0 0 0
5 {} 8.13675 0.02195 0.00067 ++ {0.0} {} {} 64.12705 1.28226 0.03790 ++ {0.0} {} {} 130.15536 0.63383 0.01755 ++ {0.0} {} 0.0 -0.0291 1 {} 0 0 0
6 {} 8.15799 0.02152 0.00362 ++ {0.0} {} {} 53.16276 0.72208 0.13955 ++ {0.0} {} {} 130.36916 0.53888 0.10415 ++ {0.0} {} 0.0 -0.0318 1 {} 0 0 0
7 {} 8.79758 0.01793 0.00071 ++ {0.0} {} {} 43.56818 0.79299 0.03335 ++ {0.0} {} {} 130.36606 0.54981 0.02313 ++ {0.0} {} 0.0 0.0293 1 {} 0 0 0
8 {} 6.96948 0.01131 0.00210 ++ {0.0} {} {} 38.04911 0.84508 0.15727 ++ {0.0} {} {} 129.62027 0.86633 0.16023 ++ {0.0} {} 0.0 -0.0317 1 {} 0 0 0
9 {} 7.09689 0.01268 0.00235 ++ {0.0} {} {} 62.66442 1.05799 0.20147 ++ {0.0} {} {} 129.22737 0.65547 0.12127 ++ {0.0} {} 0.0 -0.0316 1 {} 0 0 0
10 {} 6.23480 0.01509 0.00164 ++ {0.0} {} {} 64.98380 0.76455 0.08342 ++ {0.0} {} {} 128.90340 0.59811 0.06526 ++ {0.0} {} 0.0 -0.0304 1 {} 0 0 0
11 {} 6.40955 0.01236 0.00056 ++ {0.0} {} {} 39.15853 0.83684 0.03807 ++ {0.0} {} {} 128.93248 0.52223 0.02376 ++ {0.0} {} 0.0 0.0294 1 {} 0 0 0
12 {} 6.81579 0.01188 0.00021 ++ {0.0} {} {} 20.62339 1.18222 0.02095 ++ {0.0} {} {} 127.46764 0.63836 0.01142 ++ {0.0} {} 0.0 -0.0290 1 {} 0 0 0
13 {} 8.00985 0.03089 0.12535 ++ {0.0} {i.h} {} 57.13208 0.91990 1.51249 ++ {0.0} {i.ca} {} 126.75601 0.61431 1.23811 ++ {0.0} {i.n} 0.0 0.2532 1 {} 0 0 0
14 {} 8.00447 0.08346 0.11922 ++ {0.0} {i.h} {} 30.23156 0.86732 1.80660 ++ {0.0} {i.cb} {} 126.73843 0.65148 1.23374 ++ {0.0} {i.n} 0.0 -0.2443 1 {} 0 0 0
15 {45.H} 7.90423 0.03564 0.07345 ++ {0.0} {i.h} {45.CA} 57.15345 1.06286 1.64483 ++ {0.0} {i.ca} {45.N} 126.48850 0.48636 1.45524 ++ {0.0} {i.n} 0.0 0.8732 1 {} 0 0 0
16 {45.H} 7.90375 0.03512 0.07191 ++ {0.0} {i.h} {45.CB} 30.20609 1.07352 1.89584 ++ {0.0} {i.cb} {45.N} 126.48730 0.47704 1.33697 ++ {0.0} {i.n} 0.0 -0.8666 1 {} 0 0 0
17 {} 7.95855 0.01858 0.00720 ++ {0.0} {} {} 37.20305 0.85054 0.32345 ++ {0.0} {} {} 124.89817 0.65455 0.24892 ++ {0.0} {} 0.0 -0.0354 1 {} 0 0 0
18 {} 7.79585 0.02082 0.00488 ++ {0.0} {} {} 54.97228 0.88436 0.15255 ++ {0.0} {} {} 124.62726 0.67866 0.11707 ++ {0.0} {} 0.0 -0.0314 1 {} 0 0 0
19 {} 7.98464 0.00870 0.00021 ++ {0.0} {} {} 43.59216 0.84684 0.02049 ++ {0.0} {} {} 123.48684 0.68108 0.01648 ++ {0.0} {} 0.0 -0.0291 1 {} 0 0 0
20 {5.H} 8.37778 0.04040 0.04331 ++ {0.0} {i.h} {5.CA} 52.25399 0.77157 0.84012 ++ {0.0} {i.ca} {5.N} 123.13355 0.70045 0.76268 ++ {0.0} {i.n} 0.0 0.0630 1 {} 0 0 0
21 {} 8.29056 0.03246 0.05331 ++ {0.0} {i.h} {} 60.49030 0.74973 1.27612 ++ {0.0} {i.ca} {} 122.62227 0.46885 0.72963 ++ {0.0} {i.n} 0.0 0.1294 1 {} 0 0 0
22 {} 7.28464 0.01741 0.00266 ++ {0.0} {} {} 39.35035 0.65318 0.09616 ++ {0.0} {} {} 122.73490 0.75442 0.11297 ++ {0.0} {} 0.0 0.0310 1 {} 0 0 0
23 {} 8.29167 0.03455 0.04852 ++ {0.0} {i.h} {} 38.13074 1.01083 1.40870 ++ {0.0} {i.cb} {} 122.61829 0.47357 0.66695 ++ {0.0} {i.n} 0.0 -0.0970 1 {} 0 0 0
24 {28.H} 8.38676 0.02995 0.03731 ++ {0.0} {i.h} {27.CB} 68.20541 0.92209 1.18655 ++ {0.0} {i-1.cb} {28.N} 122.38743 0.69548 0.91788 ++ {0.0} {i.n} 0.0 -0.0829 1 {} 0 0 0
25 {28.H} 8.38947 0.01899 0.02292 ++ {0.0} {i.h} {27.CA} 66.61945 0.97477 1.16304 ++ {0.0} {i-1.ca} {28.N} 122.39748 0.70708 0.87221 ++ {0.0} {i.n} 0.0 0.0743 1 {} 0 0 0
26 {28.H} 8.38637 0.03308 0.06445 ++ {0.0} {i.h} {} 57.75788 0.77494 1.80130 ++ {0.0} {i.ca} {28.N} 122.39570 0.66586 1.27829 ++ {0.0} {i.n} 0.0 0.3275 1 {} 0 0 0
27 {28.H} 8.38685 0.03004 0.05354 ++ {0.0} {i.h} {28.CB} 41.11913 0.91940 1.68130 ++ {0.0} {i.cb} {28.N} 122.40446 0.75681 1.36150 ++ {0.0} {i.n} 0.0 -0.2249 1 {} 0 0 0
28 {} 9.00531 0.01319 0.00145 ++ {0.0} {} {} 53.53367 0.62195 0.06826 ++ {0.0} {} {} 122.02214 0.66532 0.07302 ++ {0.0} {} 0.0 0.0304 1 {} 0 0 0
29 {} 9.09452 0.01345 0.00286 ++ {0.0} {} {} 35.13681 0.81517 0.17336 ++ {0.0} {} {} 121.92374 0.66054 0.14047 ++ {0.0} {} 0.0 -0.0321 1 {} 0 0 0
30 {} 8.21781 0.03717 0.04436 ++ {0.0} {i.h} {} 31.71812 0.99640 1.21203 ++ {0.0} {i,i-1.cb} {} 121.95251 0.69722 0.86413 ++ {0.0} {i.n} 0.0 -0.0724 -1 {} 0 0 0
31 {34.H} 8.28443 0.03251 0.06296 ++ {0.0} {i.h} {34.CA} 59.03393 0.76894 1.81453 ++ {0.0} {i.ca} {34.N} 121.83444 0.46396 1.09866 ++ {0.0} {i.n} 0.0 0.3820 1 {} 0 0 0
32 {} 8.46576 0.02630 0.03757 ++ {0.0} {} {} 56.54760 0.92083 1.16015 ++ {0.0} {} {} 121.66227 0.94346 1.11504 ++ {0.0} {} 0.0 0.0756 -1 {} 0 0 0
33 {} 8.43894 0.03682 0.05260 ++ {0.0} {} {} 52.09009 1.09743 1.62647 ++ {0.0} {} {} 121.56884 0.77817 1.24876 ++ {0.0} {} 0.0 0.1056 -1 {} 0 0 0
34 {34.H} 8.28337 0.03656 0.06597 ++ {0.0} {i.h} {33.CA} 56.58202 1.10055 1.76107 ++ {0.0} {i-1.ca} {34.N} 121.78174 0.81990 1.40550 ++ {0.0} {i.n} 0.0 0.1485 1 {} 0 0 0
35 {33.H} 8.25308 0.04438 0.05512 ++ {0.0} {i.h} {33.CA} 52.96672 0.70551 0.96254 ++ {0.0} {i.ca} {33.N} 121.59855 0.58493 0.80253 ++ {0.0} {i.n} 0.0 0.0903 1 {} 0 0 0
36 {33.H} 8.25217 0.02898 0.03600 ++ {0.0} {i.h} {32.CB} 30.73601 0.97971 1.35952 ++ {0.0} {i-1.cb} {33.N} 121.59180 0.58504 0.81405 ++ {0.0} {i.n} 0.0 -0.0918 1 {} 0 0 0
37 {34.H} 8.28406 0.03401 0.04131 ++ {0.0} {i.h} {33.CB} 36.32803 0.64952 0.90108 ++ {0.0} {i-1.cb} {34.N} 121.78298 0.55720 0.77301 ++ {0.0} {i.n} 0.0 -0.0937 1 {} 0 0 0
38 {34.H} 8.28455 0.03216 0.05743 ++ {0.0} {i.h} {34.CB} 29.28490 0.78721 1.73674 ++ {0.0} {i.cb} {34.N} 121.84112 0.48831 1.32652 ++ {0.0} {i.n} 0.0 -0.2438 1 {} 0 0 0
39 {13.H} 8.19803 0.03001 0.05899 ++ {0.0} {i.h} {13.CA} 60.24536 0.75084 1.75461 ++ {0.0} {i.ca} {13.N} 121.15954 0.47812 0.78790 ++ {0.0} {i.n} 0.0 0.1631 1 {} 0 0 0
40 {32.H} 8.36340 0.03788 0.09149 ++ {0.0} {i.h} {32.CA} 56.45599 0.87110 1.92300 ++ {0.0} {i.ca} {32.N} 121.29000 0.82160 1.55300 ++ {0.0} {i.n} 0.0 0.4714 1 {} 0 0 0
41 {} 7.85219 0.01710 0.00197 ++ {0.0} {} {} 56.14896 1.09554 0.11233 ++ {0.0} {} {} 121.46178 0.04647 0.00471 ++ {0.0} {} 0.0 -0.0302 -1 {} 0 0 0
42 {13.H} 8.19765 0.02560 0.03872 ++ {0.0} {i.h} {13.CB} 36.95219 0.70324 1.07613 ++ {0.0} {i.cb} {13.N} 121.18066 0.48094 0.73597 ++ {0.0} {i.n} 0.0 -0.1222 1 {} 0 0 0
43 {} 7.71647 0.02563 0.00190 ++ {0.0} {} {} 31.13131 0.90793 0.04269 ++ {0.0} {} {} 121.18123 0.49187 0.02312 ++ {0.0} {} 0.0 0.0294 1 {} 0 0 0
44 {32.H} 8.36196 0.03628 0.07401 ++ {0.0} {i.h} {32.CB} 30.74913 0.95839 1.36913 ++ {0.0} {i.cb} {32.N} 121.36215 1.06381 1.53806 ++ {0.0} {i.n} 0.0 -0.3266 1 {} 0 0 0
45 {13.H} 8.19600 0.03219 0.03263 ++ {0.0} {i.h} {12.CB} 28.07226 0.94218 0.95464 ++ {0.0} {i-1.cb} {13.N} 121.15567 0.47093 0.47716 ++ {0.0} {i.n} 0.0 -0.0582 1 {} 0 0 0
46 {} 8.52083 0.02787 0.02034 ++ {0.0} {} {} 62.98703 0.71264 0.43828 ++ {0.0} {} {} 120.89857 0.56854 0.34966 ++ {0.0} {} 0.0 0.0415 -1 {} 0 0 0
47 {26.H} 7.79089 0.04181 0.07272 ++ {0.0} {i.h} {26.CA} 59.85347 0.69574 1.52037 ++ {0.0} {i.ca} {26.N} 120.84064 0.49225 1.04184 ++ {0.0} {i.n} 0.0 0.2360 1 {} 0 0 0
48 {13.H} 8.18960 0.02292 0.02779 ++ {0.0} {i.h} {12.CA} 58.66031 0.93277 1.29662 ++ {0.0} {i-1.ca} {13.N} 121.16936 0.61037 0.77411 ++ {0.0} {i.n} 0.0 0.0785 1 {} 0 0 0
49 {} 8.52213 0.03312 0.03495 ++ {0.0} {} {} 55.94866 0.65221 0.72000 ++ {0.0} {} {} 120.91151 0.68731 0.75875 ++ {0.0} {} 0.0 0.0641 -1 {} 0 0 0
50 {} 8.52587 0.03277 0.02878 ++ {0.0} {} {} 30.97086 0.77078 0.65577 ++ {0.0} {} {} 120.89847 0.59461 0.50589 ++ {0.0} {} 0.0 -0.0500 -1 {} 0 0 0
51 {} 8.61138 0.01976 0.00130 ++ {0.0} {} {} 29.55225 0.77074 0.04647 ++ {0.0} {} {} 120.89809 0.60093 0.03623 ++ {0.0} {} 0.0 -0.0296 -1 {} 0 0 0
52 {26.H} 7.79217 0.04049 0.06482 ++ {0.0} {i.h} {26.CB} 28.84267 0.75571 1.55096 ++ {0.0} {i.cb} {26.N} 120.83336 0.48452 0.84027 ++ {0.0} {i.n} 0.0 -0.1697 1 {} 0 0 0
53 {30.H} 8.39590 0.03469 0.06746 ++ {0.0} {i.h} {29.CA} 60.14629 0.94754 1.84499 ++ {0.0} {i-1.ca} {30.N} 120.48704 0.49205 1.18968 ++ {0.0} {i.n} 0.0 0.4731 1 {} 0 0 0
54 {} 8.47214 0.03744 0.07418 ++ {0.0} {i.h} {} 59.19186 0.89902 1.77503 ++ {0.0} {i.ca} {} 120.70763 0.49963 1.30126 ++ {0.0} {i.n} 0.0 0.3529 1 {} 0 0 0
55 {35.H} 8.24270 0.03535 0.06995 ++ {0.0} {i.h} {35.CA} 58.13062 1.14496 1.75228 ++ {0.0} {i.ca} {35.N} 120.43146 0.45239 0.91189 ++ {0.0} {i.n} 0.0 0.3023 1 {} 0 0 0
56 {} 7.85895 0.03720 0.06891 ++ {0.0} {i.h} {} 56.15368 1.10594 1.78533 ++ {0.0} {i.ca} {} 120.60793 0.66873 1.33339 ++ {0.0} {i.n} 0.0 0.4997 1 {} 0 0 0
57 {21.H} 8.13614 0.03830 0.03788 ++ {0.0} {i.h} {} 39.00576 0.53337 1.14693 ++ {0.0} {i-1.ca} {21.N} 121.55524 0.57202 0.55723 ++ {0.0} {i.n} 0.0 0.0560 -1 {} 0 0 0
58 {} 8.02868 0.00907 0.00029 ++ {0.0} {} {} 47.11852 0.87201 0.02802 ++ {0.0} {} {} 120.63545 0.52713 0.01694 ++ {0.0} {} 0.0 -0.0292 -1 {} 0 0 0
59 {} 8.82291 0.01889 0.00346 ++ {0.0} {} {} 43.56213 0.80219 0.10259 ++ {0.0} {} {} 120.71207 0.53368 0.06825 ++ {0.0} {} 0.0 0.0307 1 {} 0 0 0
60 {} 8.47932 0.02534 0.02219 ++ {0.0} {i.h} {} 38.26096 0.74534 0.60906 ++ {0.0} {i-1.cb} {} 120.67323 0.55574 0.45412 ++ {0.0} {i.n} 0.0 -0.0485 1 {} 0 0 0
61 {30.H} 8.39304 0.02737 0.03468 ++ {0.0} {i.h} {29.CB} 35.41441 0.68435 0.94784 ++ {0.0} {i-1.cb} {30.N} 120.48289 0.54701 0.75763 ++ {0.0} {i.n} 0.0 -0.0934 1 {} 0 0 0
62 {} 7.86275 0.04391 0.11629 ++ {0.0} {i.h} {} 30.41295 1.03210 1.47443 ++ {0.0} {i.cb} {} 120.61094 0.65023 1.26928 ++ {0.0} {i.n} 0.0 -0.3628 1 {} 0 0 0
63 {30.H} 8.39162 0.03776 0.07132 ++ {0.0} {i.h} {30.CB} 29.76368 0.66454 2.08855 ++ {0.0} {i.cb} {30.N} 120.53218 0.80183 1.80688 ++ {0.0} {i.n} 0.0 -0.2179 1 {} 0 0 0
64 {} 7.82790 0.03587 0.07723 ++ {0.0} {} {} 29.67468 1.07333 1.53333 ++ {0.0} {} {} 120.41516 0.45002 0.87302 ++ {0.0} {} 0.0 -0.2824 -1 {} 0 0 0
65 {} 8.47330 0.03680 0.07234 ++ {0.0} {i.h} {} 29.02753 0.79935 1.69343 ++ {0.0} {i.cb} {} 120.70731 0.76731 1.54924 ++ {0.0} {i.n} 0.0 -0.2508 1 {} 0 0 0
66 {21.H} 8.14973 0.03682 0.05260 ++ {0.0} {i.h} {} 33.96527 1.08299 1.35660 ++ {0.0} {i-1.cb} {21.N} 120.61833 0.83060 0.95364 ++ {0.0} {i.n} 0.0 -0.0677 -1 {} 0 0 0
67 {35.H} 8.24188 0.03727 0.08472 ++ {0.0} {i.h} {35.CB} 28.66698 1.17493 1.82954 ++ {0.0} {i.cb} {35.N} 120.42307 0.46043 0.88981 ++ {0.0} {i.n} 0.0 -0.2512 1 {} 0 0 0
68 {} 7.83715 0.01752 0.00506 ++ {0.0} {} {} 60.24092 0.33401 0.09710 ++ {0.0} {} {} 120.32023 0.10192 0.02963 ++ {0.0} {} 0.0 -0.0336 -1 {} 0 0 0
69 {} 8.09572 0.03456 0.07341 ++ {0.0} {i.h} {} 59.08953 1.25146 1.78780 ++ {0.0} {i.ca} {} 120.17903 0.60339 1.41706 ++ {0.0} {i.n} 0.0 0.8804 1 {} 0 0 0
70 {15.H} 8.51514 0.03499 0.09360 ++ {0.0} {i.h} {} 58.69416 1.04946 1.81210 ++ {0.0} {i.ca} {15.N} 120.08712 0.49145 1.31192 ++ {0.0} {i.n} 0.0 0.5360 1 {} 0 0 0
71 {} 8.02493 0.02752 0.02077 ++ {0.0} {} {} 58.67971 0.95969 0.64353 ++ {0.0} {} {} 120.34824 0.10536 0.07065 ++ {0.0} {} 0.0 -0.0432 -1 {} 0 0 0
72 {} 7.82510 0.03253 0.05924 ++ {0.0} {} {} 58.82669 0.88320 2.06621 ++ {0.0} {} {} 120.38623 0.45577 1.14268 ++ {0.0} {} 0.0 0.3168 -1 {} 0 0 0
73 {} 8.09070 0.03489 0.07330 ++ {0.0} {i.h} {} 29.66081 0.98273 2.05728 ++ {0.0} {i.cb} {} 120.16582 0.59144 1.41571 ++ {0.0} {i.n} 0.0 -0.6535 1 {} 0 0 0
74 {15.H} 8.51569 0.03399 0.06774 ++ {0.0} {i.h} {15.CB} 28.28758 0.81880 1.84125 ++ {0.0} {i.cb} {15.N} 120.09886 0.49632 1.18140 ++ {0.0} {i.n} 0.0 -0.2804 1 {} 0 0 0
75 {} 8.30007 0.03703 0.06939 ++ {0.0} {i.h} {} 57.97923 1.09178 1.76352 ++ {0.0} {i-1.ca} {} 119.89529 0.66672 1.26943 ++ {0.0} {i.n} 0.0 0.2791 1 {} 0 0 0
76 {} 7.76634 0.01190 0.00362 ++ {0.0} {} {} 49.47678 0.99502 0.30174 ++ {0.0} {} {} 119.96886 0.07510 0.02283 ++ {0.0} {} 0.0 -0.0339 -1 {} 0 0 0
77 {} 8.30110 0.03774 0.06353 ++ {0.0} {i.h} {} 30.16600 0.78670 1.12400 ++ {0.0} {i.cb} {} 119.90000 0.69260 1.30700 ++ {0.0} {i.n} 0.0 -0.1979 1 {} 0 0 0
78 {} 8.30083 0.02913 0.04091 ++ {0.0} {i.h} {} 28.55686 1.02715 1.45799 ++ {0.0} {i-1.cb} {} 119.96243 0.56921 0.75498 ++ {0.0} {i.n} 0.0 -0.0852 1 {} 0 0 0
79 {} 8.42319 0.02910 0.04664 ++ {0.0} {i.h} {} 64.76283 0.74429 1.09741 ++ {0.0} {i-1.ca} {} 119.39263 0.51265 0.75587 ++ {0.0} {i.n} 0.0 0.1093 1 {} 0 0 0
80 {} 8.48372 0.02621 0.02708 ++ {0.0} {i.h} {} 63.50365 0.74654 0.78549 ++ {0.0} {i-1.ca} {} 119.51996 0.70520 0.74126 ++ {0.0} {i.n} 0.0 0.0606 1 {} 0 0 0
81 {} 7.83168 0.03448 0.06523 ++ {0.0} {} {} 60.06256 0.77250 1.69487 ++ {0.0} {} {} 119.49087 0.64471 1.26701 ++ {0.0} {} 0.0 0.3197 -1 {} 0 0 0
82 {41.H} 8.35180 0.03609 0.09769 ++ {0.0} {i.h} {40.CA} 58.43000 0.72230 1.81100 ++ {0.0} {i-1.ca} {41.N} 119.45000 0.55240 1.32300 ++ {0.0} {i.n} 0.0 0.4805 1 {} 0 0 0
83 {12.H} 8.02053 0.03141 0.11968 ++ {0.0} {i.h} {12.CA} 58.68152 0.97891 1.98249 ++ {0.0} {i.ca} {12.N} 119.40276 0.48890 1.23319 ++ {0.0} {i.n} 0.0 0.6269 1 {} 0 0 0
84 {} 7.89135 0.02719 0.02743 ++ {0.0} {} {} 55.76022 0.77319 0.78802 ++ {0.0} {} {} 119.64510 0.06637 0.06765 ++ {0.0} {} 0.0 -0.0585 -1 {} 0 0 0
85 {} 8.48057 0.03471 0.06327 ++ {0.0} {i.h} {} 56.55795 0.85817 1.72916 ++ {0.0} {i.ca} {} 119.51189 0.70938 1.23499 ++ {0.0} {i.n} 0.0 0.2028 1 {} 0 0 0
86 {} 8.48076 0.02638 0.01394 ++ {0.0} {i.h} {} 31.95786 0.63997 0.26302 ++ {0.0} {i-1.cb} {} 119.46116 0.56310 0.23143 ++ {0.0} {i.n} 0.0 -0.0361 1 {} 0 0 0
87 {} 8.42050 0.02897 0.03380 ++ {0.0} {i.h} {} 31.95423 0.68079 0.80828 ++ {0.0} {i-1.cb} {} 119.38200 0.47163 0.55996 ++ {0.0} {i.n} 0.0 -0.0706 1 {} 0 0 0
88 {} 8.48106 0.03699 0.07806 ++ {0.0} {i.h} {} 29.70616 0.98503 1.79399 ++ {0.0} {i.cb} {} 119.50302 0.72764 1.32451 ++ {0.0} {i.n} 0.0 -0.1869 1 {} 0 0 0
89 {41.H} 8.35170 0.03288 0.08368 ++ {0.0} {i.h} {40.CB} 28.43500 0.80950 1.84100 ++ {0.0} {i-1.cb} {41.N} 119.44000 0.55090 1.26100 ++ {0.0} {i.n} 0.0 -0.3062 1 {} 0 0 0
90 {} 8.42174 0.02986 0.09564 ++ {0.0} {i.h} {} 29.28779 1.03242 1.85478 ++ {0.0} {i.cb} {} 119.37734 0.52562 1.29886 ++ {0.0} {i.n} 0.0 -0.2827 1 {} 0 0 0
91 {12.H} 8.02051 0.03696 0.12170 ++ {0.0} {i.h} {11.CB} 27.97464 0.79268 2.00081 ++ {0.0} {i-1.cb} {12.N} 119.39112 0.50016 1.25019 ++ {0.0} {i.n} 0.0 -0.4263 1 {} 0 0 0
92 {} 8.41918 0.04476 0.08840 ++ {0.0} {i.h} {} 58.69832 1.04372 1.80395 ++ {0.0} {i.ca} {} 119.36811 0.87367 1.72786 ++ {0.0} {i.n} 0.0 0.4131 1 {} 0 0 0
93 {36.H} 7.97847 0.02944 0.07014 ++ {0.0} {i.h} {36.CA} 58.01957 0.37132 1.92176 ++ {0.0} {i.ca} {36.N} 119.06634 0.61019 1.37012 ++ {0.0} {i.n} 0.0 0.4872 1 {} 0 0 0
94 {9.H} 7.81586 0.04301 0.08286 ++ {0.0} {i.h} {9.CA} 57.44019 1.54895 2.21278 ++ {0.0} {i.ca} {9.N} 119.15233 0.70744 1.37769 ++ {0.0} {i.n} 0.0 0.5708 1 {} 0 0 0
95 {20.H} 7.97404 0.03589 0.07408 ++ {0.0} {i.h} {20.CA} 56.75409 0.39116 2.03653 ++ {0.0} {i.ca} {20.N} 119.16525 0.65413 1.30712 ++ {0.0} {i.n} 0.0 0.4996 1 {} 0 0 0
96 {18.H} 7.79921 0.02717 0.04065 ++ {0.0} {i.h} {17.CA} 55.35088 0.73674 1.28812 ++ {0.0} {i-1.ca} {18.N} 119.06039 0.53069 0.93105 ++ {0.0} {i.n} 0.0 0.1420 1 {} 0 0 0
97 {18.H} 7.79844 0.01163 0.03684 ++ {0.0} {i.h} {17.CB} 35.63843 0.97999 1.58302 ++ {0.0} {i-1.cb} {18.N} 119.05944 0.55344 0.97252 ++ {0.0} {i.n} 0.0 -0.1321 1 {} 0 0 0
98 {20.H} 7.97401 0.03655 0.07039 ++ {0.0} {i.h} {20.CB} 29.94476 0.83056 1.97453 ++ {0.0} {i.cb} {20.N} 119.15863 0.62333 1.22352 ++ {0.0} {i.n} 0.0 -0.3476 1 {} 0 0 0
99 {18.H} 7.79683 0.03758 0.06803 ++ {0.0} {i.h} {18.CB} 29.40928 1.73330 2.47614 ++ {0.0} {i.cb} {18.N} 119.09861 0.58554 1.34101 ++ {0.0} {i.n} 0.0 -0.3815 1 {} 0 0 0
100 {36.H} 7.97966 0.03682 0.05260 ++ {0.0} {i.h} {36.CB} 28.23671 0.81603 1.88492 ++ {0.0} {i.cb} {36.N} 119.00880 0.63492 1.33518 ++ {0.0} {i.n} 0.0 -0.3247 1 {} 0 0 0
101 {} 9.01660 0.04061 0.06235 ++ {0.0} {i.h} {} 58.94567 1.03124 1.47319 ++ {0.0} {i-1.ca} {} 118.81525 0.66035 1.11317 ++ {0.0} {i.n} 0.0 0.1390 1 {} 0 0 0
102 {16.H} 7.88146 0.03207 0.06866 ++ {0.0} {i.h} {16.CA} 58.53300 0.75996 1.83089 ++ {0.0} {i.ca} {16.N} 118.78634 0.63646 1.31204 ++ {0.0} {i.n} 0.0 0.6879 1 {} 0 0 0
103 {11.H} 8.40508 0.03662 0.04516 ++ {0.0} {i.h} {} 36.76790 0.73415 0.93077 ++ {0.0} {i-1.cb} {11.N} 118.83746 0.57100 0.72393 ++ {0.0} {i.n} 0.0 -0.0784 1 {} 0 0 0
104 {} 9.01026 0.04186 0.06664 ++ {0.0} {i.h} {} 28.62131 1.00274 1.58281 ++ {0.0} {i.cb} {} 118.82411 0.62199 1.07362 ++ {0.0} {i.n} 0.0 -0.1315 1 {} 0 0 0
105 {11.H} 8.40632 0.03295 0.06267 ++ {0.0} {i.h} {11.CB} 27.80049 0.75656 1.68789 ++ {0.0} {i.cb} {11.N} 118.84882 0.53802 1.14862 ++ {0.0} {i.n} 0.0 -0.2549 1 {} 0 0 0
106 {16.H} 7.88089 0.03099 0.05895 ++ {0.0} {i.h} {16.CB} 27.57550 1.12312 1.92463 ++ {0.0} {i.cb} {16.N} 118.79979 0.66653 1.30989 ++ {0.0} {i.n} 0.0 -0.4364 1 {} 0 0 0
107 {} 7.89160 0.03220 0.00329 ++ {0.0} {} {} 35.62199 0.93991 0.10175 ++ {0.0} {} {} 118.21148 0.05592 0.00605 ++ {0.0} {} 0.0 0.0304 1 {} 0 0 0
108 {} 8.07270 0.03118 0.05672 ++ {0.0} {i.h} {} 61.92528 1.14400 1.63500 ++ {0.0} {i-1.ca} {} 117.17356 0.46230 1.01100 ++ {0.0} {i.n} 0.0 0.3255 -1 {} 0 0 0
109 {} 8.07302 0.03338 0.05334 ++ {0.0} {i.h} {} 29.56868 0.82165 1.69406 ++ {0.0} {i-1.cb} {} 117.58069 0.44714 0.75294 ++ {0.0} {i.n} 0.0 -0.1816 1 {} 0 0 0
110 {27.H} 8.26005 0.03990 0.05668 ++ {0.0} {i.h} {27.CB} 68.11830 1.05687 1.52761 ++ {0.0} {i.cb} {27.N} 117.28281 0.53054 0.94156 ++ {0.0} {i.n} 0.0 -0.1536 1 {} 0 0 0
111 {27.H} 8.26042 0.03290 0.06072 ++ {0.0} {i.h} {27.CA} 66.59314 0.83432 1.37259 ++ {0.0} {i.ca} {27.N} 117.29261 0.62765 1.24797 ++ {0.0} {i.n} 0.0 0.2012 1 {} 0 0 0
112 {27.H} 8.25992 0.03150 0.03162 ++ {0.0} {i.h} {26.CA} 59.94774 0.64564 0.64801 ++ {0.0} {i-1.ca} {27.N} 117.32071 0.65025 0.65264 ++ {0.0} {i.n} 0.0 0.0576 1 {} 0 0 0
113 {17.H} 7.88761 0.02664 0.03846 ++ {0.0} {i.h} {16.CA} 58.47505 0.71676 1.06439 ++ {0.0} {i-1.ca} {17.N} 117.30357 0.70376 1.10109 ++ {0.0} {i.n} 0.0 0.1115 1 {} 0 0 0
114 {33.H} 8.06942 0.03202 0.06813 ++ {0.0} {i.h} {33.CA} 56.67067 0.97183 1.69361 ++ {0.0} {i.ca} {33.N} 117.34778 0.63611 1.29038 ++ {0.0} {i.n} 0.0 0.5111 1 {} 0 0 0
115 {17.H} 7.88682 0.03356 0.06456 ++ {0.0} {i.h} {17.CA} 55.43573 0.66319 1.64145 ++ {0.0} {i.ca} {17.N} 117.34748 0.63493 1.27533 ++ {0.0} {i.n} 0.0 0.4403 1 {} 0 0 0
116 {43.H} 7.56855 0.01074 0.01447 ++ {0.0} {i.h} {42.CA} 56.38581 0.85459 0.32362 ++ {0.0} {i-1.ca} {43.N} 117.39635 0.54312 0.20567 ++ {0.0} {i.n} 0.0 0.0354 1 {} 0 0 0
117 {43.H} 7.56579 0.03676 0.06966 ++ {0.0} {i.h} {43.CA} 54.78887 0.69437 1.75195 ++ {0.0} {i.ca} {43.N} 117.33855 0.65342 1.31861 ++ {0.0} {i.n} 0.0 0.4769 1 {} 0 0 0
118 {33.H} 8.06940 0.03227 0.06285 ++ {0.0} {i.h} {33.CB} 36.30395 0.73871 1.84495 ++ {0.0} {i.cb} {33.N} 117.34628 0.64786 1.29158 ++ {0.0} {i.n} 0.0 -0.4057 1 {} 0 0 0
119 {17.H} 7.88714 0.03285 0.06188 ++ {0.0} {i.h} {17.CB} 35.63773 0.96455 1.87398 ++ {0.0} {i.cb} {17.N} 117.35265 0.64122 1.29153 ++ {0.0} {i.n} 0.0 -0.4628 1 {} 0 0 0
120 {27.H} 8.25706 0.01405 0.00762 ++ {0.0} {i.h} {26.CB} 28.99834 0.77737 0.42171 ++ {0.0} {i-1.cb} {27.N} 117.31966 0.67706 0.36729 ++ {0.0} {i.n} 0.0 -0.0394 1 {} 0 0 0
121 {43.H} 7.56558 0.03682 0.06471 ++ {0.0} {i.h} {42.CB} 30.09078 0.73749 1.89104 ++ {0.0} {i-1.cb} {43.N} 117.33328 0.64389 1.24019 ++ {0.0} {i.n} 0.0 -0.3172 1 {} 0 0 0
122 {17.H} 7.88892 0.02061 0.02372 ++ {0.0} {i.h} {16.CB} 27.43648 0.74482 0.92104 ++ {0.0} {i-1.cb} {17.N} 117.37707 0.71018 0.89194 ++ {0.0} {i.n} 0.0 -0.0752 1 {} 0 0 0
123 {} 7.70918 0.01458 0.00116 ++ {0.0} {} {} 63.99690 0.71823 0.05736 ++ {0.0} {} {} 114.84026 0.62324 0.04977 ++ {0.0} {} 0.0 0.0299 1 {} 0 0 0
124 {} 6.80824 0.01013 0.00067 ++ {0.0} {} {} 63.14134 0.88394 0.05869 ++ {0.0} {} {} 114.74796 0.58796 0.03904 ++ {0.0} {} 0.0 -0.0297 1 {} 0 0 0
125 {42.H} 7.44551 0.03113 0.03730 ++ {0.0} {i.h} {} 58.12550 1.05832 1.70953 ++ {0.0} {i-1.ca} {42.N} 114.59848 0.49654 0.63993 ++ {0.0} {i.n} 0.0 0.0807 1 {} 0 0 0
126 {42.H} 7.44476 0.02940 0.05582 ++ {0.0} {i.h} {42.CA} 56.33327 0.68692 1.48937 ++ {0.0} {i.ca} {42.N} 114.62076 0.45504 0.84121 ++ {0.0} {i.n} 0.0 0.2424 1 {} 0 0 0
127 {} 6.73180 0.01365 0.00059 ++ {0.0} {} {} 44.55980 0.91771 0.03985 ++ {0.0} {} {} 114.38019 0.56925 0.02472 ++ {0.0} {} 0.0 -0.0293 1 {} 0 0 0
128 {} 8.09317 0.01552 0.00457 ++ {0.0} {} {} 41.51815 0.70269 0.21055 ++ {0.0} {} {} 114.52725 0.59229 0.17747 ++ {0.0} {} 0.0 -0.0338 1 {} 0 0 0
129 {42.H} 7.44499 0.03231 0.05275 ++ {0.0} {i.h} {41.CB} 29.48425 1.03157 1.47367 ++ {0.0} {i-1.cb} {42.N} 114.61980 0.47644 0.91245 ++ {0.0} {i.n} 0.0 -0.2135 1 {} 0 0 0
130 {} 6.74667 0.01357 0.00088 ++ {0.0} {} {} 31.59668 0.83835 0.05429 ++ {0.0} {} {} 114.08129 0.98601 0.07002 ++ {0.0} {} 0.0 -0.0297 1 {} 0 0 0
131 {} 6.97113 0.01845 0.00132 ++ {0.0} {} {} 54.73695 0.78043 0.04294 ++ {0.0} {} {} 112.52657 0.49670 0.02733 ++ {0.0} {} 0.0 -0.0295 1 {} 0 0 0
132 {} 8.73552 0.00808 0.00611 ++ {0.0} {i.h} {} 44.64338 0.96385 0.32767 ++ {0.0} {i.ca} {} 111.85118 0.55523 0.18876 ++ {0.0} {i.n} 0.0 0.0346 1 {} 0 0 0
133 {} 7.20568 0.01436 0.00081 ++ {0.0} {} {} 41.13222 0.89223 0.05011 ++ {0.0} {} {} 111.97536 0.66793 0.03751 ++ {0.0} {} 0.0 0.0295 1 {} 0 0 0
134 {} 6.82777 0.03947 0.05439 ++ {0.0} {i.h} {} 34.02163 0.77920 1.04969 ++ {0.0} {i-1.ca} {} 111.53738 0.93138 1.18036 ++ {0.0} {i.n} 0.0 0.0879 1 {} 0 0 0
135 {} 6.86803 0.01400 0.03627 ++ {0.0} {i.h} {} 33.62059 0.97357 1.16219 ++ {0.0} {i.ca} {} 111.72164 0.62605 0.74587 ++ {0.0} {i.n} 0.0 0.0710 1 {} 0 0 0
136 {} 6.87688 0.02537 0.01997 ++ {0.0} {i.h} {} 28.93045 0.81319 0.43677 ++ {0.0} {i-1.cb} {} 111.61900 0.65725 0.35301 ++ {0.0} {i.n} 0.0 -0.0392 1 {} 0 0 0
137 {} 6.82613 0.02207 0.01272 ++ {0.0} {i.h} {} 28.41418 0.84802 0.33639 ++ {0.0} {i.cb} {} 111.58327 0.92819 0.36138 ++ {0.0} {i.n} 0.0 -0.0358 1 {} 0 0 0
138 {} 7.25647 0.00838 0.00015 ++ {0.0} {} {} 57.11748 0.82414 0.01477 ++ {0.0} {} {} 111.26139 0.66255 0.01187 ++ {0.0} {} 0.0 -0.0290 1 {} 0 0 0
139 {} 7.55885 0.02632 0.01246 ++ {0.0} {i.h} {} 28.02372 0.78009 0.35140 ++ {0.0} {i.cb} {} 111.11704 0.52826 0.23796 ++ {0.0} {i.n} 0.0 -0.0371 1 {} 0 0 0
140 {} 6.22786 0.02977 0.00714 ++ {0.0} {} {} 27.13156 0.86978 0.19987 ++ {0.0} {} {} 109.42983 0.76322 0.17484 ++ {0.0} {} 0.0 -0.0324 1 {} 0 0 0
141 {} 8.22913 0.02029 0.00169 ++ {0.0} {} {} 43.18169 0.84749 0.05123 ++ {0.0} {} {} 109.08671 0.61967 0.03746 ++ {0.0} {} 0.0 0.0296 1 {} 0 0 0
142 {} 6.92866 0.00944 0.00149 ++ {0.0} {} {} 47.15268 0.88954 0.14016 ++ {0.0} {} {} 108.72292 0.87811 0.14664 ++ {0.0} {} 0.0 -0.0312 1 {} 0 0 0
143 {} 6.97034 0.01591 0.00005 ++ {0.0} {} {} 34.13648 1.00158 0.00336 ++ {0.0} {} {} 108.63966 0.57622 0.00193 ++ {0.0} {} 0.0 0.0288 1 {} 0 0 0
144 {} 8.40534 0.01411 0.00068 ++ {0.0} {} {} 46.71776 0.83351 0.03998 ++ {0.0} {} {} 107.93597 0.55460 0.02660 ++ {0.0} {} 0.0 -0.0294 1 {} 0 0 0
145 {} 8.04359 0.02193 0.01152 ++ {0.0} {} {} 42.71500 0.53362 0.50464 ++ {0.0} {} {} 107.93124 0.54411 0.23213 ++ {0.0} {} 0.0 0.0365 1 {} 0 0 0
146 {} 8.08977 0.01015 0.00011 ++ {0.0} {} {} 35.70962 1.51565 0.02460 ++ {0.0} {} {} 107.92416 0.57066 0.00591 ++ {0.0} {} 0.0 0.0289 1 {} 0 0 0
147 {} 8.01046 0.09995 0.14278 ++ {0.0} {i.h} {} 55.71157 0.91990 1.51249 ++ {0.0} {i-1.ca} {} 126.75601 0.61431 1.34743 ++ {0.0} {i.n} 0.0 0.2532 0 {} 0 0 0
148 {45.H} 7.90423 0.03564 0.07429 ++ {0.0} {i.h} {44.CA} 56.20967 1.06286 1.64483 ++ {0.0} {i-1.ca} {45.N} 126.48550 0.48636 1.49366 ++ {0.0} {i.n} 0.0 0.8732 0 {} 0 0 0
149 {33.H} 8.25096 0.03656 0.07235 ++ {0.0} {i.h} {} 55.89582 1.10055 1.87328 ++ {0.0} {i-1.ca} {33.N} 121.63717 0.81990 1.64166 ++ {0.0} {i.n} 0.0 0.1485 0 {} 0 0 0
150 {} 8.47214 0.03744 0.07839 ++ {0.0} {i.h} {} 60.27047 0.89902 1.80117 ++ {0.0} {i-1.ca} {} 120.71063 0.49963 1.35274 ++ {0.0} {i.n} 0.0 0.3529 0 {} 0 0 0
151 {30.H} 8.39229 0.03469 0.07000 ++ {0.0} {i.h} {30.CA} 56.23634 0.94754 1.87857 ++ {0.0} {i.ca} {30.N} 120.48704 0.49205 1.23802 ++ {0.0} {i.n} 0.0 0.4731 0 {} 0 0 0
152 {44.H} 8.36933 0.02737 0.04220 ++ {0.0} {i.h} {44.CB} 30.57275 0.68435 1.46792 ++ {0.0} {i.cb} {44.N} 120.61543 0.54701 1.17971 ++ {0.0} {i.n} 0.0 -0.0934 0 {} 0 0 0
153 {44.H} 8.36873 0.02737 0.04220 ++ {0.0} {i.h} {} 29.32067 0.68435 1.46792 ++ {0.0} {i-1.cb} {44.N} 120.61542 0.54701 1.17971 ++ {0.0} {i.n} 0.0 -0.0934 0 {} 0 0 0
154 {44.H} 8.37060 0.03469 0.07000 ++ {0.0} {i.h} {44.CA} 56.24642 0.94754 1.87857 ++ {0.0} {i.ca} {44.N} 120.63161 0.49205 1.23802 ++ {0.0} {i.n} 0.0 0.4731 0 {} 0 0 0
155 {44.H} 8.37181 0.03469 0.07336 ++ {0.0} {i.h} {43.CA} 54.75147 0.94754 1.92299 ++ {0.0} {i-1.ca} {44.N} 120.61958 0.49205 1.30196 ++ {0.0} {i.n} 0.0 0.4731 0 {} 0 0 0
156 {21.H} 8.14095 0.03830 0.05581 ++ {0.0} {i.h} {21.CA} 55.73417 0.53337 1.88371 ++ {0.0} {i.ca} {21.N} 120.62447 0.57202 1.14930 ++ {0.0} {i.n} 0.0 0.0560 0 {} 0 0 0
157 {21.H} 8.14491 0.03682 0.05260 ++ {0.0} {i.h} {21.CB} 28.86645 1.08299 1.54712 ++ {0.0} {i.cb} {21.N} 120.61233 0.83060 1.49324 ++ {0.0} {i.n} 0.0 -0.0677 0 {} 0 0 0
158 {15.H} 8.57533 0.03399 0.07431 ++ {0.0} {i.h} {} 32.81108 0.81880 1.93181 ++ {0.0} {i-1.cb} {15.N} 120.13500 0.49632 1.28913 ++ {0.0} {i.n} 0.0 -0.2804 -1 {} 0 0 0
159 {} 8.30007 0.03703 0.07778 ++ {0.0} {i.h} {} 59.12525 1.09178 1.83784 ++ {0.0} {i.ca} {} 119.89529 0.69590 1.37823 ++ {0.0} {i.n} 0.0 0.2791 0 {} 0 0 0
160 {12.H} 8.02294 0.03141 0.12569 ++ {0.0} {i.h} {} 58.74652 0.97891 1.39844 ++ {0.0} {i-1.ca} {12.N} 119.40276 0.48890 1.33135 ++ {0.0} {i.n} 0.0 0.6269 0 {} 0 0 0
161 {12.H} 8.02051 0.03696 0.14856 ++ {0.0} {i.h} {12.CB} 27.97464 0.79268 2.08296 ++ {0.0} {i.cb} {12.N} 119.39112 0.50016 1.40363 ++ {0.0} {i.n} 0.0 -0.4263 0 {} 0 0 0
162 {41.H} 8.35183 0.03609 0.09769 ++ {0.0} {i.h} {41.CA} 58.43032 0.72230 1.97736 ++ {0.0} {i.ca} {41.N} 119.44521 0.55237 1.45088 ++ {0.0} {i.n} 0.0 0.4805 0 {} 0 0 0
163 {41.H} 8.35169 0.03288 0.10247 ++ {0.0} {i.h} {41.CB} 29.52065 0.80947 2.05550 ++ {0.0} {i.cb} {41.N} 119.44066 0.55089 1.39641 ++ {0.0} {i.n} 0.0 -0.3062 0 {} 0 0 0
164 {8.H} 8.23154 0.03786 0.11389 ++ {0.0} {i.h} {8.CB} 29.64292 1.06063 1.89821 ++ {0.0} {i.cb} {8.N} 119.09866 0.69200 1.57265 ++ {0.0} {i.n} 0.0 -0.6223 0 {} 0 0 0
165 {8.H} 8.23473 0.03953 0.10023 ++ {0.0} {i.h} {8.CA} 58.32859 1.05534 1.50763 ++ {0.0} {i.ca} {8.N} 119.16673 0.67521 1.40289 ++ {0.0} {i.n} 0.0 0.8736 0 {} 0 0 0
166 {} 8.23473 0.03953 0.12751 ++ {0.0} {i.h} {} 58.32376 1.05534 1.50763 ++ {0.0} {i.ca} {} 119.15468 0.67521 1.55090 ++ {0.0} {i.n} 0.0 0.8736 0 {} 0 0 0
167 {} 8.22551 0.03786 0.11389 ++ {0.0} {i.h} {} 28.67017 1.06063 1.89821 ++ {0.0} {i-1.cb} {} 119.11057 0.69200 1.57265 ++ {0.0} {i.n} 0.0 -0.6223 0 {} 0 0 0
168 {} 8.22792 0.03786 0.11389 ++ {0.0} {i.h} {} 29.78017 1.06063 1.89821 ++ {0.0} {i.cb} {} 119.16459 0.69200 1.57265 ++ {0.0} {i.n} 0.0 -0.6223 0 {} 0 0 0
169 {9.H} 7.81827 0.03758 0.07081 ++ {0.0} {i.h} {9.CB} 29.96065 1.73330 2.47614 ++ {0.0} {i.cb} {9.N} 119.18295 0.58554 1.37681 ++ {0.0} {i.n} 0.0 -0.3815 0 {} 0 0 0
170 {9.H} 7.81833 0.03758 0.07081 ++ {0.0} {i.h} {} 24.66925 1.73330 2.47614 ++ {0.0} {i-1.cb} {9.N} 119.46005 0.58554 1.37681 ++ {0.0} {i.n} 0.0 -0.3815 -1 {} 0 0 0
171 {18.H} 7.79891 0.02717 0.04328 ++ {0.0} {i.h} {18.CA} 58.11481 0.73674 1.48775 ++ {0.0} {i.ca} {18.N} 119.06039 0.53069 1.07761 ++ {0.0} {i.n} 0.0 0.1420 0 {} 0 0 0
172 {} 9.01449 0.04061 0.07062 ++ {0.0} {i.h} {} 59.76187 1.03124 1.47319 ++ {0.0} {i.ca} {} 118.81525 0.66035 1.28083 ++ {0.0} {i.n} 0.0 0.1390 0 {} 0 0 0
173 {11.H} 8.40507 0.04495 0.09769 ++ {0.0} {i.h} {11.CA} 59.09555 1.04372 1.84926 ++ {0.0} {i.ca} {11.N} 118.95847 0.94130 1.88298 ++ {0.0} {i.n} 0.0 0.4131 0 {} 0 0 0
174 {11.H} 8.40448 0.04495 0.09769 ++ {0.0} {i.h} {10.CA} 59.99366 1.04372 1.84926 ++ {0.0} {i-1.ca} {11.N} 118.95847 0.94130 1.88298 ++ {0.0} {i.n} 0.0 0.4131 0 {} 0 0 0
175 {40.H} 7.97404 0.03589 0.08833 ++ {0.0} {i.h} {40.CA} 58.66339 0.39116 2.17144 ++ {0.0} {i.ca} {40.N} 118.52959 0.65413 1.37415 ++ {0.0} {i.n} 0.0 0.4996 0 {} 0 0 0
176 {40.H} 7.97966 0.03682 0.05260 ++ {0.0} {i.h} {40.CB} 28.32586 0.81603 1.98731 ++ {0.0} {i.cb} {40.N} 118.51449 0.63492 1.46207 ++ {0.0} {i.n} 0.0 -0.3247 0 {} 0 0 0
177 {} 8.07420 0.03338 0.06589 ++ {0.0} {i.h} {} 28.21300 0.82170 2.10800 ++ {0.0} {i.cb} {} 117.58000 0.44710 1.10200 ++ {0.0} {i.n} 0.0 -0.1816 0 {} 0 0 0
178 {} 8.07270 0.03118 0.06705 ++ {0.0} {i.h} {} 58.25200 1.14400 1.63500 ++ {0.0} {i.ca} {} 117.57000 0.46230 1.27700 ++ {0.0} {i.n} 0.0 0.3255 0 {} 0 0 0
179 {33.H} 8.07302 0.03338 0.06589 ++ {0.0} {i.h} {} 28.92667 0.82165 2.10800 ++ {0.0} {i-1.cb} {33.N} 117.26881 0.44714 1.10250 ++ {0.0} {i.n} 0.0 -0.1816 0 {} 0 0 0
180 {43.H} 7.56588 0.03682 0.07057 ++ {0.0} {i.h} {} 28.87735 0.73749 2.12394 ++ {0.0} {i.cb} {43.N} 117.33328 0.64389 1.31318 ++ {0.0} {i.n} 0.0 -0.3172 0 {} 0 0 0
181 {42.H} 7.44469 0.03231 0.05789 ++ {0.0} {i.h} {42.CB} 30.29321 1.03157 1.47367 ++ {0.0} {i.cb} {42.N} 114.61980 0.47644 1.16314 ++ {0.0} {i.n} 0.0 -0.2135 0 {} 0 0 0
182 {} 8.29017 0.03455 0.05044 ++ {0.0} {i.h} {} 30.31084 1.01083 1.45886 ++ {0.0} {i-1.cb} {} 122.61829 0.47357 0.69129 ++ {0.0} {i.n} 0.0 -0.0970 0 {} 0 0 0
183 {5.H} 8.37962 0.03004 0.05795 ++ {0.0} {i.h} {5.CB} 40.77241 0.91940 1.79394 ++ {0.0} {i.cb} {5.N} 123.04049 0.75681 1.44720 ++ {0.0} {i.n} 0.0 -0.2249 0 {} 0 0 0
184 {} 8.08950 0.03489 0.07762 ++ {0.0} {i.h} {} 29.05651 0.98273 1.40390 ++ {0.0} {i.cb} {} 120.15378 0.59144 1.45546 ++ {0.0} {i.n} 0.0 -0.6535 0 {} 0 0 0
185 {} 8.08762 0.03456 0.07536 ++ {0.0} {i.h} {} 60.37280 1.25146 1.78780 ++ {0.0} {i-1.ca} {} 120.14288 0.60339 1.44428 ++ {0.0} {i.n} 0.0 0.8804 0 {} 0 0 0
186 {} 8.08762 0.03456 0.07536 ++ {0.0} {i.h} {} 59.13280 1.25146 1.78780 ++ {0.0} {i.ca} {} 120.11879 0.60339 1.44428 ++ {0.0} {i.n} 0.0 0.8804 0 {} 0 0 0
187 {33.H} 8.24917 0.02898 0.04080 ++ {0.0} {i.h} {33.CB} 40.64571 0.97971 1.62423 ++ {0.0} {i.cb} {33.N} 121.59180 0.58504 1.08835 ++ {0.0} {i.n} 0.0 -0.0918 0 {} 0 0 0
188 {4.H} 8.52412 0.03399 0.07790 ++ {0.0} {i.h} {4.CB} 30.95250 0.81880 1.98090 ++ {0.0} {i.cb} {4.N} 120.99043 0.49632 1.32869 ++ {0.0} {i.n} 0.0 -0.2804 0 {} 0 0 0
189 {4.H} 8.52213 0.03312 0.04151 ++ {0.0} {i.h} {4.CA} 55.94866 0.65221 0.96288 ++ {0.0} {i.ca} {4.N} 120.91151 0.74438 1.24766 ++ {0.0} {i.n} 0.0 0.0641 0 {} 0 0 0
190 {4.H} 8.52083 0.02787 0.03148 ++ {0.0} {i.h} {} 62.98703 0.71264 0.84847 ++ {0.0} {i-1.ca} {4.N} 120.89857 0.56854 0.67690 ++ {0.0} {i.n} 0.0 0.0415 0 {} 0 0 0
191 {} 7.83168 0.03448 0.07038 ++ {0.0} {i.h} {} 51.02923 0.77250 1.77596 ++ {0.0} {i.ca} {} 120.47211 0.64471 1.32443 ++ {0.0} {i.n} 0.0 0.3197 -1 {} 0 0 0
192 {29.H} 7.83226 0.02248 0.03796 ++ {0.0} {i.h} {29.CB} 35.38040 0.91001 1.60067 ++ {0.0} {i.cb} {29.N} 119.49300 0.69200 1.15127 ++ {0.0} {i.n} 0.0 -0.0870 0 {} 0 0 0
193 {29.H} 7.83526 0.02248 0.03796 ++ {0.0} {i.h} {28.CB} 41.11050 0.91001 1.60067 ++ {0.0} {i-1.cb} {29.N} 119.49300 0.69200 1.15127 ++ {0.0} {i.n} 0.0 -0.0870 0 {} 0 0 0
194 {29.H} 7.83288 0.03448 0.07038 ++ {0.0} {i.h} {29.CA} 60.06256 0.77250 1.77596 ++ {0.0} {i.ca} {29.N} 119.49087 0.64471 1.32443 ++ {0.0} {i.n} 0.0 0.3197 0 {} 0 0 0
195 {7.H} 7.83474 0.03253 0.06597 ++ {0.0} {i.h} {7.CA} 58.73271 0.88320 1.26171 ++ {0.0} {i.ca} {7.N} 120.40347 0.45577 1.39250 ++ {0.0} {i.n} 0.0 0.3168 0 {} 0 0 0
196 {} 7.83168 0.03448 0.07038 ++ {0.0} {i.h} {} 30.40087 0.77250 1.77596 ++ {0.0} {i.ca} {} 120.58014 0.64471 1.32443 ++ {0.0} {i.n} 0.0 0.3197 -1 {} 0 0 0
197 {7.H} 7.83021 0.05193 0.12472 ++ {0.0} {i.h} {7.CB} 29.68831 1.03210 1.47443 ++ {0.0} {i.cb} {7.N} 120.40272 0.65023 1.31848 ++ {0.0} {i.n} 0.0 -0.3628 0 {} 0 0 0
198 {} 8.41430 0.03788 0.09625 ++ {0.0} {i.h} {} 56.30497 0.87110 1.92900 ++ {0.0} {i.ca} {} 121.32410 0.82160 1.55900 ++ {0.0} {i.n} 0.0 0.4714 0 {} 0 0 0
199 {} 8.41415 0.03788 0.08189 ++ {0.0} {i.h} {} 30.45883 0.87113 1.88831 ++ {0.0} {i.cb} {} 121.34000 0.82160 1.52122 ++ {0.0} {i.n} 0.0 0.4714 0 {} 0 0 0
200 {} 8.42284 0.02547 0.02872 ++ {0.0} {i.h} {} 62.88025 1.00725 1.13658 ++ {0.0} {i-1.ca} {} 121.27108 0.54229 0.60438 ++ {0.0} {i.n} 0.0 0.0243 0 {} 0 0 0
201 {} 8.45170 0.03788 0.17280 ++ {0.0} {i.h} {} 56.53300 0.87110 1.96500 ++ {0.0} {i.ca} {} 121.51000 0.82160 1.68800 ++ {0.0} {i.n} 0.0 0.4714 0 {} 0 0 0
202 {} 8.44577 0.02547 0.02872 ++ {0.0} {i.h} {} 29.95618 1.00725 1.13658 ++ {0.0} {i.cb} {} 121.50881 0.54229 0.60438 ++ {0.0} {i.n} 0.0 0.0243 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 3 . 7206.007 Hz . . . 4.788 . . 30871 2
2 . . H 1 H . . 8000 Hz . . . 4.788 . . 30871 2
3 . . C 13 C 1 aliased 4828.002 Hz . . . 67.142 . . 30871 2
stop_
save_