Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 31056
_Spectral_peak_list.ID 5
_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 12
_Spectral_peak_list.Experiment_name '3D HNCACB'
_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
HN C13 N15
UbxHD_hncacb.nv
1999.57678223 10500.0 1359.98901367
599.664978027 150.792007446 60.7700004578
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 {} 7.44564 0.03453 0.04303 ++ {0.0} {} {} 26.97663 0.73669 0.91108 ++ {0.0} {} {} 108.76867 0.34773 0.44916 ++ {0.0} {} 0.0 -0.0373 1 {} 0
1 {} 7.44502 0.02765 0.03950 ++ {0.0} {} {} 42.82194 0.63281 0.94045 ++ {0.0} {} {} 108.78957 0.34439 0.54716 ++ {0.0} {} 0.0 0.0643 1 {} 0
2 {43.H} 8.79686 0.02676 0.03375 ++ {0.0} {i.h} {42.CA} 52.67384 0.75840 1.02274 ++ {0.0} {i-1.ca} {43.N} 109.25755 0.36372 0.55715 ++ {0.0} {i.n} 0.0 0.0565 1 {} 0
3 {43.H} 8.79383 0.03089 0.05692 ++ {0.0} {i.h} {43.CA} 60.49668 0.66353 1.14949 ++ {0.0} {i.ca} {43.N} 109.27950 0.35667 0.64982 ++ {0.0} {i.n} 0.0 0.1485 1 {} 0
4 {6.H} 8.46485 0.02666 0.03060 ++ {0.0} {i.h} {} 30.95526 0.52613 0.60372 ++ {0.0} {i-1.cb} {6.N} 110.58228 0.34554 0.41283 ++ {0.0} {i.n} 0.0 -0.0328 1 {} 0
5 {6.H} 8.46658 0.03244 0.07784 ++ {0.0} {i.h} {6.CA} 45.18105 0.70794 1.17050 ++ {0.0} {i.ca} {6.N} 110.50695 0.35350 0.66735 ++ {0.0} {i.n} 0.0 0.2357 1 {} 0
6 {6.H} 8.47228 0.02061 0.03329 ++ {0.0} {i.h} {5.CA} 56.33282 0.54664 0.75890 ++ {0.0} {i-1.ca} {6.N} 110.58266 0.33552 0.52704 ++ {0.0} {i.n} 0.0 0.0616 1 {} 0
7 {54.HE} 9.28390 0.02751 0.05777 ++ {0.0} {i.h} {} 23.60154 0.64898 0.92785 ++ {0.0} {i.cb} {54.NE} 110.93998 0.32012 0.49745 ++ {0.0} {i.n} 0.0 -0.0593 1 {} 0
8 {29.H} 7.71425 0.01911 0.03288 ++ {0.0} {i.h} {28.CB} 44.39149 0.68158 1.06092 ++ {0.0} {i-1.cb} {29.N} 112.01412 0.31790 0.54713 ++ {0.0} {i.n} 0.0 -0.0948 1 {} 0
9 {29.H} 7.71754 0.02732 0.04861 ++ {0.0} {i.h} {28.CA} 53.30430 0.60094 0.99992 ++ {0.0} {i-1.ca} {29.N} 112.00935 0.29194 0.53433 ++ {0.0} {i.n} 0.0 0.1558 1 {} 0
10 {29.H} 7.71810 0.02756 0.06085 ++ {0.0} {i.h} {29.CA} 60.43446 0.70881 1.23851 ++ {0.0} {i.ca} {29.N} 112.00172 0.30824 0.59373 ++ {0.0} {i.n} 0.0 0.3583 1 {} 0
11 {29.H} 7.71805 0.02874 0.05480 ++ {0.0} {i.h} {29.CB} 70.88455 0.75164 1.29020 ++ {0.0} {i.cb} {29.N} 112.00712 0.30781 0.58293 ++ {0.0} {i.n} 0.0 -0.2489 1 {} 0
12 {40.H} 8.49866 0.02270 0.03392 ++ {0.0} {i.h} {39.CB} 18.96008 0.62453 0.84723 ++ {0.0} {i-1.cb} {40.N} 113.06740 0.28985 0.44251 ++ {0.0} {i.n} 0.0 -0.0559 1 {} 0
13 {40.H} 8.50068 0.02803 0.06022 ++ {0.0} {i.h} {40.CA} 54.45921 0.82500 1.38845 ++ {0.0} {i.ca} {40.N} 113.06087 0.32189 0.61127 ++ {0.0} {i.n} 0.0 0.2618 1 {} 0
14 {40.H} 8.50027 0.02938 0.05479 ++ {0.0} {i.h} {40.CB} 42.71844 0.74081 1.28338 ++ {0.0} {i.cb} {40.N} 113.06251 0.31340 0.58683 ++ {0.0} {i.n} 0.0 -0.2073 1 {} 0
15 {15.H} 8.52760 0.02166 0.03398 ++ {0.0} {i.h} {14.CB} 27.85900 0.62930 0.93852 ++ {0.0} {i-1.cb} {15.N} 113.41873 0.33684 0.55195 ++ {0.0} {i.n} 0.0 -0.0732 1 {} 0
16 {15.H} 8.52543 0.02039 0.03903 ++ {0.0} {i.h} {14.CA} 59.31859 0.66817 1.05814 ++ {0.0} {i-1.ca} {15.N} 113.40473 0.30579 0.54473 ++ {0.0} {i.n} 0.0 0.1209 1 {} 0
17 {15.H} 8.52873 0.02482 0.04422 ++ {0.0} {i.h} {15.CA} 67.49165 0.71935 1.04253 ++ {0.0} {i.ca} {15.N} 113.41127 0.33877 0.61344 ++ {0.0} {i.n} 0.0 0.1397 1 {} 0
18 {15.H} 8.52610 0.02596 0.04083 ++ {0.0} {i.h} {15.CB} 68.47110 0.67297 0.90673 ++ {0.0} {i.cb} {15.N} 113.42348 0.34413 0.59645 ++ {0.0} {i.n} 0.0 -0.0991 1 {} 0
19 {23.H} 8.03293 0.02123 0.04476 ++ {0.0} {i.h} {23.CB} 29.10625 0.77603 1.29405 ++ {0.0} {i.cb} {23.N} 113.76094 0.32599 0.60915 ++ {0.0} {i.n} 0.0 -0.2013 1 {} 0
20 {23.H} 8.03053 0.02257 0.03232 ++ {0.0} {i.h} {22.CB} 39.18834 0.66841 0.98302 ++ {0.0} {i-1.cb} {23.N} 113.76074 0.30474 0.49572 ++ {0.0} {i.n} 0.0 -0.0708 1 {} 0
21 {23.H} 8.03251 0.01920 0.05219 ++ {0.0} {i.h} {23.CA} 58.82331 0.66811 1.17644 ++ {0.0} {i.ca} {23.N} 113.76421 0.32141 0.61827 ++ {0.0} {i.n} 0.0 0.3461 1 {} 0
22 {23.H} 8.03091 0.02141 0.03507 ++ {0.0} {i.h} {22.CA} 60.79296 0.65630 1.01373 ++ {0.0} {i-1.ca} {23.N} 113.75516 0.30526 0.52840 ++ {0.0} {i.n} 0.0 0.0983 1 {} 0
23 {11.H} 9.20916 0.02042 0.03284 ++ {0.0} {i.h} {10.CB} 40.24483 0.65458 1.03345 ++ {0.0} {i-1.cb} {11.N} 114.45864 0.31382 0.52088 ++ {0.0} {i.n} 0.0 -0.0777 1 {} 0
24 {11.H} 9.20959 0.02262 0.04426 ++ {0.0} {i.h} {10.CA} 56.81659 0.53972 0.88610 ++ {0.0} {i-1.ca} {11.N} 114.46299 0.29736 0.52457 ++ {0.0} {i.n} 0.0 0.1121 1 {} 0
25 {11.H} 9.20805 0.02693 0.05248 ++ {0.0} {i.h} {11.ca} 61.06257 0.67396 1.16054 ++ {0.0} {i.ca} {11.N} 114.46036 0.32585 0.61524 ++ {0.0} {i.n} 0.0 0.2363 1 {} 0
26 {11.H} 9.20976 0.02563 0.05087 ++ {0.0} {i.h} {11.CB} 71.17541 0.76430 1.30521 ++ {0.0} {i.cb} {11.N} 114.47298 0.33210 0.61291 ++ {0.0} {i.n} 0.0 -0.1712 1 {} 0
27 {38.H} 7.88796 0.02337 0.04759 ++ {0.0} {i.h} {38.CB} 29.17556 0.68884 1.17281 ++ {0.0} {i.cb} {38.N} 114.43287 0.33161 0.61912 ++ {0.0} {i.n} 0.0 -0.1988 1 {} 0
28 {38.H} 7.88775 0.02225 0.04792 ++ {0.0} {i.h} {38.CA} 58.31511 0.59931 1.12857 ++ {0.0} {i.ca} {38.N} 114.43696 0.33568 0.64448 ++ {0.0} {i.n} 0.0 0.3302 1 {} 0
29 {24.H} 7.68545 0.02503 0.03962 ++ {0.0} {i.h} {23.CB} 29.13593 0.65600 1.00170 ++ {0.0} {i-1.cb} {24.N} 114.45432 0.29613 0.49155 ++ {0.0} {i.n} 0.0 -0.0777 1 {} 0
30 {24.H} 7.68539 0.02153 0.03967 ++ {0.0} {i.h} {23.CA} 58.88255 0.63522 1.07489 ++ {0.0} {i-1.ca} {24.N} 114.45569 0.29553 0.52518 ++ {0.0} {i.n} 0.0 0.1186 1 {} 0
31 {24.H} 7.68489 0.02794 0.05513 ++ {0.0} {i.h} {24.CA} 64.92900 0.71295 1.24453 ++ {0.0} {i.ca} {24.N} 114.45174 0.31037 0.59089 ++ {0.0} {i.n} 0.0 0.2748 1 {} 0
32 {24.H} 7.68579 0.02678 0.04983 ++ {0.0} {i.h} {24.CB} 69.33585 0.60270 1.09090 ++ {0.0} {i.cb} {24.N} 114.45416 0.30375 0.56688 ++ {0.0} {i.n} 0.0 -0.1977 1 {} 0
33 {27.H} 7.93892 0.03262 0.05548 ++ {0.0} {i.h} {27.CB} 41.05963 0.69729 1.21806 ++ {0.0} {i.cb} {27.N} 114.79563 0.32332 0.60506 ++ {0.0} {i.n} 0.0 -0.2056 1 {} 0
34 {14.H} 7.71865 0.02414 0.04380 ++ {0.0} {i.h} {14.CB} 27.81226 0.72283 1.17420 ++ {0.0} {i.cb} {14.N} 115.86607 0.32920 0.59803 ++ {0.0} {i.n} 0.0 -0.1442 1 {} 0
35 {14.H} 7.71654 0.02361 0.03703 ++ {0.0} {i.h} {13.CB} 38.77981 0.65125 0.93317 ++ {0.0} {i-1.cb} {14.N} 115.86888 0.31332 0.48927 ++ {0.0} {i.n} 0.0 -0.0603 1 {} 0
36 {14.H} 7.71918 0.02058 0.05194 ++ {0.0} {i.h} {14.CA} 59.33241 0.64263 1.08544 ++ {0.0} {i.ca} {14.N} 115.86375 0.32160 0.61114 ++ {0.0} {i.n} 0.0 0.2653 1 {} 0
37 {14.H} 7.71847 0.02171 0.04187 ++ {0.0} {i.h} {13.CA} 61.49728 0.60100 0.90386 ++ {0.0} {i-1.ca} {14.N} 115.86663 0.31048 0.53234 ++ {0.0} {i.n} 0.0 0.0926 1 {} 0
38 {31.H} 8.34254 0.02321 0.04475 ++ {0.0} {i.h} {31.CB} 29.85702 0.86144 1.56788 ++ {0.0} {i.cb} {31.N} 116.19676 0.32232 0.61276 ++ {0.0} {i.n} 0.0 -0.2673 1 {} 0
39 {31.H} 8.34224 0.02281 0.05143 ++ {0.0} {i.h} {30.CA} 60.43655 0.77553 1.18539 ++ {0.0} {i-1.ca} {31.N} 116.19286 0.32096 0.62081 ++ {0.0} {i.n} 0.0 0.4018 1 {} 0
40 {31.H} 8.34224 0.02281 0.05143 ++ {0.0} {i.h} {31.CA} 59.30653 0.77553 1.18539 ++ {0.0} {i.ca} {31.N} 116.19286 0.32096 0.62081 ++ {0.0} {i.n} 0.0 0.4018 1 {} 0
41 {9.H} 8.16964 0.02675 0.03338 ++ {0.0} {i.h} {8.CB} 29.50232 0.77166 1.06920 ++ {0.0} {i-1.cb} {9.N} 117.25339 0.31013 0.45993 ++ {0.0} {i.n} 0.0 -0.0511 1 {} 0
42 {9.H} 8.17113 0.01816 0.03647 ++ {0.0} {i.h} {} 55.61417 0.62851 0.91444 ++ {0.0} {i-1.ca} {9.N} 117.28339 0.31690 0.50947 ++ {0.0} {i.n} 0.0 0.0674 1 {} 0
43 {9.H} 8.17311 0.03311 0.05987 ++ {0.0} {i.h} {9.CA} 62.01524 0.66559 1.05969 ++ {0.0} {i.ca} {9.N} 117.28157 0.34665 0.61995 ++ {0.0} {i.n} 0.0 0.1250 1 {} 0
44 {9.H} 8.17100 0.02953 0.04981 ++ {0.0} {i.h} {9.CB} 70.10227 0.75487 1.13556 ++ {0.0} {i.cb} {9.N} 117.27093 0.34518 0.58485 ++ {0.0} {i.n} 0.0 -0.0865 1 {} 0
45 {41.H} 7.96159 0.02705 0.05023 ++ {0.0} {i.h} {41.CB} 24.88323 0.72726 1.24416 ++ {0.0} {i.cb} {41.N} 117.25489 0.31293 0.59391 ++ {0.0} {i.n} 0.0 -0.2589 1 {} 0
46 {41.H} 7.96283 0.02395 0.03566 ++ {0.0} {i.h} {40.CB} 42.73210 0.68542 1.02042 ++ {0.0} {i-1.cb} {41.N} 117.25784 0.30549 0.50250 ++ {0.0} {i.n} 0.0 -0.0745 1 {} 0
47 {41.H} 7.96163 0.02019 0.03743 ++ {0.0} {i.h} {40.CA} 54.35928 0.53349 0.88518 ++ {0.0} {i-1.ca} {41.N} 117.26049 0.30084 0.52113 ++ {0.0} {i.n} 0.0 0.0987 1 {} 0
48 {41.H} 7.96114 0.02618 0.05644 ++ {0.0} {i.h} {41.CA} 60.41541 0.72738 1.26220 ++ {0.0} {i.ca} {41.N} 117.26682 0.35575 0.67805 ++ {0.0} {i.n} 0.0 0.2316 1 {} 0
49 {55.H} 7.94409 0.02264 0.02946 ++ {0.0} {i.h} {} 28.37142 0.69792 0.88530 ++ {0.0} {i-1.cb} {55.N} 117.59246 0.31506 0.43003 ++ {0.0} {i.n} 0.0 -0.0416 1 {} 0
50 {55.H} 7.94265 0.02216 0.04140 ++ {0.0} {i.h} {} 31.73495 0.75143 1.22319 ++ {0.0} {i.cb} {55.N} 117.58476 0.34033 0.59491 ++ {0.0} {i.n} 0.0 -0.1049 1 {} 0
51 {55.H} 7.94252 0.02163 0.03755 ++ {0.0} {i.h} {} 56.46987 0.66725 1.01509 ++ {0.0} {i-1.ca} {55.N} 117.58032 0.33739 0.55613 ++ {0.0} {i.n} 0.0 0.0752 1 {} 0
52 {55.H} 7.94174 0.02201 0.04320 ++ {0.0} {i.h} {55.CA} 60.12754 0.68031 1.17228 ++ {0.0} {i.ca} {55.N} 117.57061 0.33843 0.63991 ++ {0.0} {i.n} 0.0 0.2421 1 {} 0
53 {45.H} 8.31517 0.03116 0.06083 ++ {0.0} {i.h} {45.CA} 59.70090 0.70686 1.21484 ++ {0.0} {i.ca} {45.N} 118.64902 0.34119 0.65275 ++ {0.0} {i.n} 0.0 0.3045 1 {} 0
54 {13.H} 8.40041 0.02824 0.04921 ++ {0.0} {i.h} {13.CB} 38.76825 0.76359 1.27767 ++ {0.0} {i.cb} {13.N} 118.28579 0.33732 0.61344 ++ {0.0} {i.n} 0.0 -0.1457 1 {} 0
55 {13.H} 8.39900 0.03038 0.05868 ++ {0.0} {i.h} {13.CA} 61.49096 0.69896 1.15570 ++ {0.0} {i.ca} {13.N} 118.28782 0.34436 0.66051 ++ {0.0} {i.n} 0.0 0.2483 1 {} 0
56 {57.H} 7.35641 0.02948 0.06659 ++ {0.0} {i.h} {57.CB} 32.52119 0.75608 1.32516 ++ {0.0} {i.cb} {57.N} 118.28606 0.33367 0.63496 ++ {0.0} {i.n} 0.0 -0.2724 1 {} 0
57 {57.H} 7.35573 0.02647 0.06468 ++ {0.0} {i.h} {57.CA} 57.32250 0.75909 1.37213 ++ {0.0} {i.ca} {57.N} 118.28928 0.34183 0.67537 ++ {0.0} {i.n} 0.0 0.3938 1 {} 0
58 {45.H} 8.31830 0.02960 0.05589 ++ {0.0} {i.h} {45.CB} 30.08853 0.75254 1.29563 ++ {0.0} {i.cb} {45.N} 118.65659 0.33472 0.63449 ++ {0.0} {i.n} 0.0 -0.2532 1 {} 0
59 {45.H} 8.31887 0.02445 0.04343 ++ {0.0} {i.h} {44.CA} 61.38215 0.64451 0.99885 ++ {0.0} {i-1.ca} {45.N} 118.65199 0.30006 0.52575 ++ {0.0} {i.n} 0.0 0.1067 1 {} 0
60 {17.H} 7.69881 0.02517 0.05279 ++ {0.0} {i.h} {17.CB} 30.21205 0.73704 1.24868 ++ {0.0} {i.cb} {17.N} 118.64791 0.32463 0.59884 ++ {0.0} {i.n} 0.0 -0.1702 1 {} 0
61 {17.H} 7.70545 0.02349 0.03293 ++ {0.0} {i.h} {16.CB} 41.86543 0.62406 0.92317 ++ {0.0} {i-1.cb} {17.N} 118.65092 0.30432 0.46658 ++ {0.0} {i.n} 0.0 -0.0566 1 {} 0
62 {17.H} 7.70329 0.03014 0.06395 ++ {0.0} {i.h} {17.CA} 58.63316 0.74977 1.31276 ++ {0.0} {i.ca} {17.N} 118.63790 0.32985 0.63448 ++ {0.0} {i.n} 0.0 0.3456 1 {} 0
63 {36.H} 8.71440 0.02469 0.04232 ++ {0.0} {i.h} {35.CB} 30.25910 0.67171 0.93904 ++ {0.0} {i-1.cb} {36.N} 119.00263 0.34877 0.53818 ++ {0.0} {i.n} 0.0 -0.0579 1 {} 0
64 {36.H} 8.71675 0.02895 0.06585 ++ {0.0} {i.h} {36.CA} 59.00494 0.81465 1.59069 ++ {0.0} {i.ca} {36.N} 118.99947 0.31777 0.61019 ++ {0.0} {i.n} 0.0 0.3315 1 {} 0
65 {52.H} 8.22946 0.02824 0.05664 ++ {0.0} {i.h} {} 28.65029 0.98027 1.49390 ++ {0.0} {i.cb} {52.N} 118.99920 0.32899 0.61722 ++ {0.0} {i.n} 0.0 -0.1707 1 {} 0
66 {52.H} 8.22892 0.02320 0.04295 ++ {0.0} {i.h} {51.CB} 39.83618 0.64285 1.08513 ++ {0.0} {i-1.cb} {52.N} 119.00523 0.30688 0.51463 ++ {0.0} {i.n} 0.0 -0.0655 1 {} 0
67 {52.H} 8.22767 0.02330 0.04272 ++ {0.0} {i.h} {51.CA} 63.59554 0.55172 0.99054 ++ {0.0} {i-1.ca} {52.N} 118.99812 0.31441 0.56442 ++ {0.0} {i.n} 0.0 0.1033 1 {} 0
68 {34.H} 8.09527 0.02357 0.03812 ++ {0.0} {i.h} {} 30.41495 0.58742 0.84895 ++ {0.0} {i-1.cb} {34.N} 118.98824 0.31662 0.50822 ++ {0.0} {i.n} 0.0 -0.0536 1 {} 0
69 {34.H} 8.09487 0.02976 0.05268 ++ {0.0} {i.h} {34.CB} 38.26373 0.78473 1.31335 ++ {0.0} {i.cb} {34.N} 118.98184 0.34269 0.62892 ++ {0.0} {i.n} 0.0 -0.1284 1 {} 0
70 {34.H} 8.09592 0.02659 0.05155 ++ {0.0} {i.h} {33.CA} 60.87208 0.59042 1.03145 ++ {0.0} {i-1.ca} {34.N} 118.99024 0.31427 0.56454 ++ {0.0} {i.n} 0.0 0.1038 1 {} 0
71 {34.H} 8.09514 0.02773 0.05567 ++ {0.0} {i.h} {34.CA} 65.56124 0.68947 1.19511 ++ {0.0} {i.ca} {34.N} 118.98886 0.32815 0.62581 ++ {0.0} {i.n} 0.0 0.2277 1 {} 0
72 {51.H} 8.94766 0.01992 0.03057 ++ {0.0} {i.h} {50.CB} 29.23097 0.67473 0.97625 ++ {0.0} {i-1.cb} {51.N} 119.35344 0.31586 0.47826 ++ {0.0} {i.n} 0.0 -0.0348 1 {} 0
73 {51.H} 8.94704 0.03054 0.06718 ++ {0.0} {i.h} {51.CB} 39.82772 0.69134 1.22274 ++ {0.0} {i.cb} {51.N} 119.32755 0.33998 0.62205 ++ {0.0} {i.n} 0.0 -0.0993 1 {} 0
74 {51.H} 8.94569 0.03256 0.07026 ++ {0.0} {i.h} {51.CA} 63.59219 0.70473 1.26437 ++ {0.0} {i.ca} {51.N} 119.33267 0.35827 0.68351 ++ {0.0} {i.n} 0.0 0.1835 1 {} 0
75 {25.H} 8.48041 0.02921 0.06438 ++ {0.0} {i.h} {25.CB} 40.90350 0.71010 1.27753 ++ {0.0} {i.cb} {25.N} 119.35793 0.32378 0.62922 ++ {0.0} {i.n} 0.0 -0.2986 1 {} 0
76 {25.H} 8.47974 0.03149 0.06352 ++ {0.0} {i.h} {25.CA} 53.00546 0.70244 1.26686 ++ {0.0} {i.ca} {25.N} 119.35873 0.33688 0.65613 ++ {0.0} {i.n} 0.0 0.3232 1 {} 0
77 {25.H} 8.47941 0.02686 0.05010 ++ {0.0} {i.h} {24.CA} 64.88672 0.65886 1.03507 ++ {0.0} {i-1.ca} {25.N} 119.35606 0.31772 0.55070 ++ {0.0} {i.n} 0.0 0.0634 1 {} 0
78 {25.H} 8.48096 0.02728 0.03864 ++ {0.0} {i.h} {24.CB} 69.34945 0.65378 0.97275 ++ {0.0} {i-1.cb} {25.N} 119.37153 0.32793 0.51949 ++ {0.0} {i.n} 0.0 -0.0407 1 {} 0
79 {49.H} 8.69879 0.02905 0.05901 ++ {0.0} {i.h} {49.CB} 38.25840 0.80310 1.44200 ++ {0.0} {i.cb} {49.N} 119.69762 0.31164 0.59175 ++ {0.0} {i.n} 0.0 -0.1672 1 {} 0
80 {49.H} 8.69670 0.02318 0.05429 ++ {0.0} {i.h} {48.CA} 60.23333 0.56680 0.99233 ++ {0.0} {i-1.ca} {49.N} 119.69946 0.29263 0.54435 ++ {0.0} {i.n} 0.0 0.1210 1 {} 0
81 {49.H} 8.69704 0.02894 0.06272 ++ {0.0} {i.h} {49.CA} 64.49055 0.73366 1.24644 ++ {0.0} {i.ca} {49.N} 119.69889 0.32275 0.62524 ++ {0.0} {i.n} 0.0 0.2697 1 {} 0
82 {42.H} 8.19130 0.02049 0.04635 ++ {0.0} {i.h} {41.CB} 24.87905 0.62693 1.02895 ++ {0.0} {i-1.cb} {42.N} 119.70677 0.30295 0.52201 ++ {0.0} {i.n} 0.0 -0.0611 1 {} 0
83 {42.H} 8.19298 0.03080 0.06276 ++ {0.0} {i.h} {42.CB} 47.70457 0.70924 1.41040 ++ {0.0} {i.cb} {42.N} 119.70167 0.30922 0.59936 ++ {0.0} {i.n} 0.0 -0.2743 1 {} 0
84 {42.H} 8.19098 0.03323 0.08831 ++ {0.0} {i.h} {42.CA} 52.64119 0.64782 1.20674 ++ {0.0} {i.ca} {42.N} 119.70277 0.30466 0.59601 ++ {0.0} {i.n} 0.0 0.3874 1 {} 0
85 {42.H} 8.18788 0.03032 0.04977 ++ {0.0} {i.h} {41.CA} 60.45374 0.62575 0.99337 ++ {0.0} {i-1.ca} {42.N} 119.70591 0.30664 0.52386 ++ {0.0} {i.n} 0.0 0.0580 1 {} 0
86 {32.H} 7.74347 0.02707 0.05733 ++ {0.0} {i.h} {32.CA} 56.93308 0.62162 1.14944 ++ {0.0} {i.ca} {32.N} 119.42691 0.35452 0.67462 ++ {0.0} {i.n} 0.0 0.1743 1 {} 0
87 {32.H} 7.74153 0.01721 0.02753 ++ {0.0} {i.h} {31.CA} 59.21794 0.63686 0.89232 ++ {0.0} {i-1.ca} {32.N} 119.40160 0.33877 0.55450 ++ {0.0} {i.n} 0.0 0.0466 1 {} 0
88 {58.H} 7.49401 0.01839 0.03410 ++ {0.0} {i.h} {57.CB} 32.56496 0.64985 1.00925 ++ {0.0} {i-1.cb} {58.N} 119.78812 0.32790 0.54477 ++ {0.0} {i.n} 0.0 -0.0500 1 {} 0
89 {58.H} 7.49771 0.02547 0.05341 ++ {0.0} {i.h} {58.CB} 42.28606 0.72299 1.27169 ++ {0.0} {i.cb} {58.N} 119.86248 0.35819 0.67718 ++ {0.0} {i.n} 0.0 -0.1546 1 {} 0
90 {58.H} 7.49868 0.02362 0.04752 ++ {0.0} {i.h} {58.CA} 56.05621 0.67339 1.22684 ++ {0.0} {i.ca} {58.N} 119.85236 0.36649 0.70506 ++ {0.0} {i.n} 0.0 0.2220 1 {} 0
91 {58.H} 7.49272 0.02152 0.03641 ++ {0.0} {i.h} {57.CA} 57.33134 0.46042 0.84892 ++ {0.0} {i-1.ca} {58.N} 119.71605 0.36123 0.64641 ++ {0.0} {i.n} 0.0 0.0795 1 {} 0
92 {59.H} 7.88510 0.02300 0.06033 ++ {0.0} {i.h} {59.CB} 33.02484 0.62758 1.17931 ++ {0.0} {i.cb} {59.N} 119.99557 0.34131 0.65670 ++ {0.0} {i.n} 0.0 -0.2228 1 {} 0
93 {59.H} 7.88649 0.02730 0.04351 ++ {0.0} {i.h} {58.CB} 42.25576 0.71212 1.08844 ++ {0.0} {i-1.cb} {59.N} 119.97794 0.36900 0.64550 ++ {0.0} {i.n} 0.0 -0.0675 1 {} 0
94 {59.H} 7.88268 0.02387 0.06379 ++ {0.0} {i.h} {59.CA} 56.80006 0.81789 1.21784 ++ {0.0} {i.ca} {59.N} 119.99660 0.35539 0.69101 ++ {0.0} {i.n} 0.0 0.3039 1 {} 0
95 {44.H} 9.16253 0.02413 0.04773 ++ {0.0} {i.h} {44.CB} 30.08478 0.73073 1.23281 ++ {0.0} {i.cb} {44.N} 120.40659 0.34671 0.64304 ++ {0.0} {i.n} 0.0 -0.1164 1 {} 0
96 {44.H} 9.16309 0.02550 0.06204 ++ {0.0} {i.h} {} 60.90224 1.00604 1.55408 ++ {0.0} {i-1.ca} {44.N} 120.40958 0.33227 0.63274 ++ {0.0} {i.n} 0.0 0.1768 1 {} 0
97 {44.H} 9.15928 0.02485 0.04338 ++ {0.0} {i.h} {43.CB} 71.08814 0.64615 1.13848 ++ {0.0} {i-1.cb} {44.N} 120.40378 0.32429 0.59103 ++ {0.0} {i.n} 0.0 -0.0953 1 {} 0
98 {33.H} 8.45926 0.01936 0.04612 ++ {0.0} {i.h} {} 30.50188 0.84486 1.33870 ++ {0.0} {i-1.cb} {33.N} 120.38406 0.31628 0.59779 ++ {0.0} {i.n} 0.0 -0.1539 1 {} 0
99 {33.H} 8.46055 0.02398 0.04449 ++ {0.0} {i.h} {32.CA} 56.97485 0.60037 1.02240 ++ {0.0} {i-1.ca} {33.N} 120.38947 0.29459 0.54789 ++ {0.0} {i.n} 0.0 0.1207 1 {} 0
100 {33.H} 8.45944 0.02288 0.05355 ++ {0.0} {i.h} {33.CA} 60.81269 0.67312 1.22960 ++ {0.0} {i.ca} {33.N} 120.38780 0.32243 0.62667 ++ {0.0} {i.n} 0.0 0.3000 1 {} 0
101 {20.H} 7.94594 0.01476 0.02890 ++ {0.0} {i.h} {} 29.27740 0.66261 1.01202 ++ {0.0} {i-1.cb} {20.N} 120.40079 0.30379 0.52111 ++ {0.0} {i.n} 0.0 -0.0594 1 {} 0
102 {20.H} 7.94171 0.02147 0.04507 ++ {0.0} {i.h} {20.CB} 32.64669 0.73517 1.35148 ++ {0.0} {i.cb} {20.N} 120.37334 0.32740 0.62132 ++ {0.0} {i.n} 0.0 -0.1654 1 {} 0
103 {20.H} 7.94049 0.02387 0.05663 ++ {0.0} {i.h} {} 59.83074 0.75498 1.38582 ++ {0.0} {i-1.ca} {20.N} 120.37958 0.35989 0.69780 ++ {0.0} {i.n} 0.0 0.2771 1 {} 0
104 {35.H} 7.89161 0.02463 0.06902 ++ {0.0} {i.h} {35.CB} 30.28533 0.66505 1.22158 ++ {0.0} {i.cb} {35.N} 120.40256 0.30996 0.59780 ++ {0.0} {i.n} 0.0 -0.2371 1 {} 0
105 {35.H} 7.89132 0.02500 0.03858 ++ {0.0} {i.h} {34.CB} 38.31102 0.60793 0.97482 ++ {0.0} {i-1.cb} {35.N} 120.40065 0.32048 0.53584 ++ {0.0} {i.n} 0.0 -0.0645 1 {} 0
106 {35.H} 7.89160 0.02098 0.04188 ++ {0.0} {i.h} {34.CA} 65.56623 0.65387 1.06798 ++ {0.0} {i-1.ca} {35.N} 120.39917 0.30455 0.55347 ++ {0.0} {i.n} 0.0 0.1158 1 {} 0
107 {35.H} 7.89178 0.02508 0.05692 ++ {0.0} {i.h} {35.CA} 59.64092 0.69118 1.26710 ++ {0.0} {i.ca} {35.N} 120.40331 0.31292 0.61025 ++ {0.0} {i.n} 0.0 0.4245 1 {} 0
108 {7.H} 8.29611 0.02669 0.05213 ++ {0.0} {i.h} {7.CB} 31.11839 0.71001 1.26830 ++ {0.0} {i.cb} {7.N} 120.75449 0.31225 0.59183 ++ {0.0} {i.n} 0.0 -0.2021 1 {} 0
109 {7.H} 8.29458 0.02680 0.08635 ++ {0.0} {i.h} {6.CA} 45.15178 0.67222 1.19446 ++ {0.0} {i-1.ca} {7.N} 120.75640 0.31315 0.60529 ++ {0.0} {i.n} 0.0 0.3152 1 {} 0
110 {7.H} 8.29580 0.02771 0.05918 ++ {0.0} {i.h} {7.CA} 56.10022 0.66097 1.17700 ++ {0.0} {i.ca} {7.N} 120.75182 0.31940 0.61663 ++ {0.0} {i.n} 0.0 0.3047 1 {} 0
111 {10.H} 8.17974 0.03097 0.05273 ++ {0.0} {i.h} {9.CB} 70.13037 0.68078 1.12938 ++ {0.0} {i-1.cb} {10.N} 120.74973 0.30787 0.53786 ++ {0.0} {i.n} 0.0 -0.0836 1 {} 0
112 {10.H} 8.17959 0.02906 0.04983 ++ {0.0} {i.h} {9.CA} 62.04582 0.63954 1.06139 ++ {0.0} {i-1.ca} {10.N} 120.75120 0.30116 0.55174 ++ {0.0} {i.n} 0.0 0.1259 1 {} 0
113 {10.H} 8.17956 0.02976 0.06438 ++ {0.0} {i.h} {10.CA} 56.78686 0.66146 1.19042 ++ {0.0} {i.ca} {10.N} 120.74500 0.31122 0.60955 ++ {0.0} {i.n} 0.0 0.5106 1 {} 0
114 {10.H} 8.18030 0.02994 0.05966 ++ {0.0} {i.h} {10.CB} 40.21848 0.62818 1.21568 ++ {0.0} {i.cb} {10.N} 120.74895 0.30780 0.59582 ++ {0.0} {i.n} 0.0 -0.3291 1 {} 0
115 {47.H} 7.99361 0.02553 0.04350 ++ {0.0} {i.h} {} 59.35733 0.65976 0.99991 ++ {0.0} {i-1.ca} {47.N} 120.76849 0.34368 0.59154 ++ {0.0} {i.n} 0.0 0.0759 1 {} 0
116 {47.H} 7.99544 0.02656 0.03687 ++ {0.0} {i.h} {46.CB} 29.52619 0.63451 0.93791 ++ {0.0} {i-1.cb} {47.N} 120.77779 0.32667 0.51972 ++ {0.0} {i.n} 0.0 -0.0517 1 {} 0
117 {39.H} 8.25300 0.02127 0.04797 ++ {0.0} {i.h} {39.CB} 18.98071 0.67231 1.17832 ++ {0.0} {i.cb} {39.N} 121.08895 0.33325 0.63184 ++ {0.0} {i.n} 0.0 -0.2033 1 {} 0
118 {39.H} 8.25543 0.02395 0.03747 ++ {0.0} {i.h} {38.CB} 29.17384 0.74827 1.18019 ++ {0.0} {i-1.cb} {39.N} 121.09417 0.30401 0.53059 ++ {0.0} {i.n} 0.0 -0.0830 1 {} 0
119 {16.H} 8.23278 0.02348 0.05710 ++ {0.0} {i.h} {16.CB} 41.84562 0.64499 1.25137 ++ {0.0} {i.cb} {16.N} 121.09684 0.30951 0.59461 ++ {0.0} {i.n} 0.0 -0.2683 1 {} 0
120 {39.H} 8.25229 0.02328 0.05634 ++ {0.0} {i.h} {39.CA} 55.10061 0.67791 1.20912 ++ {0.0} {i.ca} {39.N} 121.08915 0.32382 0.63139 ++ {0.0} {i.n} 0.0 0.4215 1 {} 0
121 {16.H} 8.23363 0.02873 0.09277 ++ {0.0} {i.h} {16.CA} 58.37196 0.69107 1.23802 ++ {0.0} {i.ca} {16.N} 121.09006 0.31144 0.60754 ++ {0.0} {i.n} 0.0 0.4297 1 {} 0
122 {60.H} 8.11576 0.02360 0.05099 ++ {0.0} {i.h} {59.CB} 33.08501 0.73958 1.32595 ++ {0.0} {i.cb} {60.N} 121.12869 0.34886 0.67899 ++ {0.0} {i.n} 0.0 -0.3939 1 {} 0
123 {21.H} 7.86580 0.02515 0.04995 ++ {0.0} {i.h} {21.CB} 29.28783 0.73836 1.30829 ++ {0.0} {i.cb} {21.N} 121.10158 0.30374 0.57400 ++ {0.0} {i.n} 0.0 -0.1919 1 {} 0
124 {21.H} 7.86680 0.02431 0.04067 ++ {0.0} {i.h} {20.CB} 32.60340 0.58675 0.89811 ++ {0.0} {i-1.cb} {21.N} 121.09386 0.29167 0.50060 ++ {0.0} {i.n} 0.0 -0.0746 1 {} 0
125 {47.H} 7.99607 0.02603 0.04608 ++ {0.0} {i.h} {47.CA} 65.12666 0.68393 1.17306 ++ {0.0} {i.ca} {47.N} 120.79027 0.35670 0.67129 ++ {0.0} {i.n} 0.0 0.1792 1 {} 0
126 {16.H} 8.23142 0.02045 0.04183 ++ {0.0} {i.h} {15.CA} 67.51056 0.69707 1.00616 ++ {0.0} {i-1.ca} {16.N} 121.08409 0.31301 0.51677 ++ {0.0} {i.n} 0.0 0.0606 1 {} 0
127 {16.H} 8.23603 0.01763 0.02993 ++ {0.0} {i.h} {15.CB} 68.46639 0.62003 0.80916 ++ {0.0} {i-1.cb} {16.N} 121.10093 0.32609 0.50671 ++ {0.0} {i.n} 0.0 -0.0474 1 {} 0
128 {21.H} 7.86742 0.02436 0.04862 ++ {0.0} {i.h} {} 59.36985 0.73979 1.34179 ++ {0.0} {i-1.ca} {21.N} 121.09809 0.31509 0.61183 ++ {0.0} {i.n} 0.0 0.3629 1 {} 0
129 {47.H} 7.99586 0.02483 0.04335 ++ {0.0} {i.h} {47.CB} 37.19990 0.80347 1.35029 ++ {0.0} {i.cb} {47.N} 120.79475 0.35878 0.64948 ++ {0.0} {i.n} 0.0 -0.1115 1 {} 0
130 {22.H} 9.02088 0.02005 0.03634 ++ {0.0} {i.h} {21.CB} 29.32952 0.56598 0.85873 ++ {0.0} {i-1.cb} {22.N} 121.44849 0.31148 0.49772 ++ {0.0} {i.n} 0.0 -0.0526 1 {} 0
131 {60.H} 8.11662 0.02554 0.05421 ++ {0.0} {i.h} {60.CA} 56.51828 0.75103 1.40875 ++ {0.0} {i.ca} {60.N} 121.12966 0.36001 0.70464 ++ {0.0} {i.n} 0.0 0.4950 1 {} 0
132 {48.H} 8.59223 0.02133 0.04173 ++ {0.0} {i.h} {48.CB} 33.35659 0.78292 1.30377 ++ {0.0} {i.cb} {48.N} 121.76593 0.35039 0.64909 ++ {0.0} {i.n} 0.0 -0.1434 1 {} 0
133 {48.H} 8.59186 0.02232 0.05534 ++ {0.0} {i.h} {48.CA} 60.24911 0.70951 1.23778 ++ {0.0} {i.ca} {48.N} 121.77636 0.34334 0.65678 ++ {0.0} {i.n} 0.0 0.2428 1 {} 0
134 {48.H} 8.59381 0.02273 0.03552 ++ {0.0} {i.h} {47.CA} 65.16812 0.73944 1.17070 ++ {0.0} {i-1.ca} {48.N} 121.77715 0.33591 0.58224 ++ {0.0} {i.n} 0.0 0.0793 1 {} 0
135 {28.H} 8.37474 0.02581 0.04918 ++ {0.0} {i.h} {27.CB} 40.99710 0.63383 0.95818 ++ {0.0} {i-1.cb} {28.N} 121.80331 0.30825 0.53470 ++ {0.0} {i.n} 0.0 -0.0797 1 {} 0
136 {50.H} 8.12761 0.02399 0.04790 ++ {0.0} {i.h} {50.CA} 63.28763 0.70538 1.15659 ++ {0.0} {i.ca} {50.N} 122.36850 0.34942 0.64047 ++ {0.0} {i.n} 0.0 0.1266 1 {} 0
137 {50.H} 8.12709 0.02319 0.03217 ++ {0.0} {i.h} {49.CB} 38.21954 0.73953 0.94279 ++ {0.0} {i-1.cb} {50.N} 122.18353 0.32037 0.45404 ++ {0.0} {i.n} 0.0 -0.0363 1 {} 0
138 {50.H} 8.12925 0.02025 0.03856 ++ {0.0} {i.h} {50.CB} 29.28392 0.73954 1.16532 ++ {0.0} {i.cb} {50.N} 122.36786 0.34654 0.58967 ++ {0.0} {i.n} 0.0 -0.0709 1 {} 0
139 {50.H} 8.12774 0.01857 0.02783 ++ {0.0} {i.h} {49.CA} 64.53822 0.63910 0.89520 ++ {0.0} {i-1.ca} {50.N} 122.23128 0.36548 0.52202 ++ {0.0} {i.n} 0.0 0.0370 1 {} 0
140 {8.H} 8.56240 0.02735 0.06134 ++ {0.0} {i.h} {8.CB} 29.62454 0.60832 1.02505 ++ {0.0} {i.cb} {8.N} 122.49873 0.31570 0.58685 ++ {0.0} {i.n} 0.0 -0.1499 1 {} 0
141 {8.H} 8.55880 0.02633 0.04253 ++ {0.0} {i.h} {7.CB} 31.11538 0.73799 1.06754 ++ {0.0} {i-1.cb} {8.N} 122.50261 0.31958 0.53092 ++ {0.0} {i.n} 0.0 -0.0624 1 {} 0
142 {30.H} 8.84884 0.02399 0.04207 ++ {0.0} {i.h} {30.CB} 29.35574 0.76415 1.20739 ++ {0.0} {i.cb} {30.N} 122.82858 0.33592 0.57681 ++ {0.0} {i.n} 0.0 -0.0748 1 {} 0
143 {30.H} 8.84681 0.02803 0.06395 ++ {0.0} {i.h} {29.CA} 60.30283 0.69738 1.20715 ++ {0.0} {i-1.ca} {30.N} 122.82779 0.33436 0.63756 ++ {0.0} {i.n} 0.0 0.2270 1 {} 0
144 {30.H} 8.84736 0.02743 0.05050 ++ {0.0} {i.h} {29.CB} 70.84825 0.70338 1.07348 ++ {0.0} {i-1.cb} {30.N} 122.83753 0.33233 0.55058 ++ {0.0} {i.n} 0.0 -0.0616 1 {} 0
145 {54.H} 8.16294 0.02393 0.05738 ++ {0.0} {i.h} {53.CA} 55.51365 0.76119 1.24588 ++ {0.0} {i-1.ca} {54.N} 123.17216 0.33883 0.64546 ++ {0.0} {i.n} 0.0 0.2225 1 {} 0
146 {54.H} 8.16198 0.02685 0.04704 ++ {0.0} {i.h} {53.CB} 37.79133 0.60564 0.93884 ++ {0.0} {i-1.cb} {54.N} 123.18208 0.35585 0.57233 ++ {0.0} {i.n} 0.0 -0.0540 1 {} 0
147 {37.H} 8.47143 0.02451 0.04876 ++ {0.0} {i.h} {37.CB} 17.58739 0.75022 1.20860 ++ {0.0} {i.cb} {37.N} 123.64034 0.33726 0.60836 ++ {0.0} {i.n} 0.0 -0.1078 1 {} 0
148 {37.H} 8.46601 0.02288 0.03410 ++ {0.0} {i.h} {36.CA} 58.91441 0.98116 1.28568 ++ {0.0} {i-1.ca} {37.N} 123.60608 0.36165 0.60527 ++ {0.0} {i.n} 0.0 0.0648 1 {} 0
149 {37.H} 8.46999 0.01252 0.02331 ++ {0.0} {i.h} {36.CB} 33.64333 0.62399 0.86979 ++ {0.0} {i-1.cb} {37.N} 123.58721 0.32643 0.50669 ++ {0.0} {i.n} 0.0 -0.0472 1 {} 0
150 {18.H} 8.22161 0.02118 0.03586 ++ {0.0} {i.h} {17.CB} 30.22938 0.72528 1.07472 ++ {0.0} {i-1.cb} {18.N} 123.89496 0.29634 0.47455 ++ {0.0} {i.n} 0.0 -0.0531 1 {} 0
151 {3.H} 8.52716 0.01935 0.02632 ++ {0.0} {i.h} {3.CA} 56.17193 0.65868 0.80770 ++ {0.0} {i.ca} {3.N} 124.30275 0.34737 0.46234 ++ {0.0} {i.n} 0.0 0.0316 1 {} 0
152 {3.H} 8.51799 0.01745 0.01665 ++ {0.0} {i.h} {} 70.34806 0.61037 0.57946 ++ {0.0} {i-1.cb} {3.N} 124.53210 0.32510 0.29782 ++ {0.0} {i.n} 0.0 -0.0195 1 {} 0
153 {} 7.62975 0.00802 0.01765 ++ {0.0} {} {} 30.89372 0.71927 0.71951 ++ {0.0} {} {} 128.44450 0.34597 0.34624 ++ {0.0} {} 0.0 -0.0169 1 {} 0
154 {} 7.60552 0.01114 0.03246 ++ {0.0} {} {} 43.63897 0.78627 1.02730 ++ {0.0} {} {} 128.44930 0.27759 0.39033 ++ {0.0} {} 0.0 0.0285 1 {} 0
155 {} 8.08683 0.01222 0.03557 ++ {0.0} {} {} 43.88671 0.62412 0.69939 ++ {0.0} {} {} 128.09650 0.31702 0.37111 ++ {0.0} {} 0.0 0.0163 1 {} 0
156 {62.H} 7.67986 0.02538 0.04402 ++ {0.0} {i.h} {61.CB} 30.40380 0.70795 1.25478 ++ {0.0} {i-1.cb} {62.N} 125.30049 0.31608 0.60944 ++ {0.0} {i.n} 0.0 -0.2988 1 {} 0
157 {62.H} 7.67933 0.02557 0.04767 ++ {0.0} {i.h} {62.CB} 39.80762 0.72983 1.41584 ++ {0.0} {i.cb} {62.N} 125.30157 0.32065 0.62908 ++ {0.0} {i.n} 0.0 -0.5639 1 {} 0
158 {62.H} 7.67891 0.02507 0.04393 ++ {0.0} {i.h} {} 56.79465 0.69755 1.23536 ++ {0.0} {i-1.ca} {62.N} 125.29804 0.31699 0.61811 ++ {0.0} {i.n} 0.0 0.4291 1 {} 0
159 {62.H} 7.67966 0.02566 0.04854 ++ {0.0} {i.h} {62.ca} 62.89808 0.70469 1.26261 ++ {0.0} {i.ca} {62.N} 125.29988 0.32110 0.63398 ++ {0.0} {i.n} 0.0 0.8392 1 {} 0
160 {18.H} 8.22383 0.02527 0.05363 ++ {0.0} {i.h} {18.CB} 37.65585 0.70300 1.23225 ++ {0.0} {i.cb} {18.N} 123.89710 0.31548 0.59010 ++ {0.0} {i.n} 0.0 -0.1658 1 {} 0
161 {18.H} 8.22460 0.02682 0.05946 ++ {0.0} {i.h} {18.CA} 58.68033 0.73555 1.27619 ++ {0.0} {i.ca} {18.N} 123.89935 0.32365 0.62765 ++ {0.0} {i.n} 0.0 0.3538 1 {} 0
162 {61.H} 8.32225 0.02498 0.05057 ++ {0.0} {i.h} {60.CA} 56.66946 0.71516 1.35871 ++ {0.0} {i-1.ca} {61.N} 122.50063 0.31843 0.61879 ++ {0.0} {i.n} 0.0 0.9239 1 {} 0
163 {61.H} 8.32127 0.02613 0.04607 ++ {0.0} {i.h} {61.CB} 30.40142 0.73464 1.29721 ++ {0.0} {i.cb} {61.N} 122.49943 0.31712 0.60025 ++ {0.0} {i.n} 0.0 -0.4892 1 {} 0
164 {28.H} 8.37481 0.02726 0.05266 ++ {0.0} {i.h} {28.CB} 44.37357 0.67390 1.14274 ++ {0.0} {i.cb} {28.N} 121.80393 0.30336 0.55552 ++ {0.0} {i.n} 0.0 -0.1988 1 {} 0
165 {28.H} 8.37556 0.03193 0.06046 ++ {0.0} {i.h} {28.CA} 53.35848 0.67996 1.13310 ++ {0.0} {i.ca} {28.N} 121.80327 0.31448 0.58737 ++ {0.0} {i.n} 0.0 0.2537 1 {} 0
166 {46.H} 8.05754 0.02608 0.05832 ++ {0.0} {i.h} {46.CA} 59.52941 0.63511 1.16809 ++ {0.0} {i.ca} {46.N} 117.59715 0.32139 0.61733 ++ {0.0} {i.n} 0.0 0.4237 1 {} 0
167 {37.H} 8.47686 0.01975 0.02821 ++ {0.0} {i.h} {37.CA} 56.26165 0.53771 0.93190 ++ {0.0} {i.ca} {37.N} 123.56599 0.39155 0.68509 ++ {0.0} {i.n} 0.0 0.2618 0 {} 0
168 {3.H} 8.51462 0.01935 0.02198 ++ {0.0} {i.h} {} 61.91074 0.65868 0.72661 ++ {0.0} {i-1.ca} {3.N} 124.30275 0.34737 0.39978 ++ {0.0} {i.n} 0.0 0.0316 0 {} 0
169 {3.H} 8.52879 0.02806 0.05561 ++ {0.0} {i.h} {3.CB} 31.02936 0.77565 1.27326 ++ {0.0} {i.cb} {3.N} 124.24610 0.48965 1.24037 ++ {0.0} {i.n} 0.0 -0.2010 0 {} 0
170 {54.H} 8.15970 0.02393 0.06368 ++ {0.0} {i.h} {54.CA} 56.33349 0.76119 1.26073 ++ {0.0} {i.ca} {54.N} 123.17216 0.33883 0.65674 ++ {0.0} {i.n} 0.0 0.2225 0 {} 0
171 {8.H} 8.56020 0.02973 0.07363 ++ {0.0} {i.h} {8.CA} 55.78898 0.77616 1.36286 ++ {0.0} {i.ca} {8.N} 122.49660 0.31365 0.59610 ++ {0.0} {i.n} 0.0 0.2699 0 {} 0
172 {61.H} 8.32281 0.02569 0.04585 ++ {0.0} {i.h} {60.cb} 33.11788 0.70105 1.20325 ++ {0.0} {i-1.cb} {61.N} 122.49705 0.30261 0.56481 ++ {0.0} {i.n} 0.0 -0.2010 0 {} 0
173 {28.H} 8.37796 0.02171 0.04482 ++ {0.0} {i.h} {27.CA} 56.86823 0.53647 0.88296 ++ {0.0} {i-1.ca} {28.N} 121.79522 0.28141 0.49482 ++ {0.0} {i.n} 0.0 0.1111 0 {} 0
174 {48.H} 8.59740 0.01283 0.02078 ++ {0.0} {i.h} {47.CB} 37.19824 0.60164 0.79358 ++ {0.0} {i-1.cb} {48.N} 121.78724 0.34347 0.49746 ++ {0.0} {i.n} 0.0 -0.0487 0 {} 0
175 {22.H} 9.02306 0.01802 0.03422 ++ {0.0} {i.h} {22.CB} 39.18194 0.69356 1.16458 ++ {0.0} {i.cb} {22.N} 121.44682 0.30578 0.55386 ++ {0.0} {i.n} 0.0 -0.1423 0 {} 0
176 {22.H} 9.02261 0.01997 0.03164 ++ {0.0} {i.h} {} 59.46667 0.55643 0.76131 ++ {0.0} {i-1.ca} {22.N} 121.44481 0.30540 0.50208 ++ {0.0} {i.n} 0.0 0.0754 0 {} 0
177 {22.H} 9.02336 0.02138 0.05361 ++ {0.0} {i.h} {22.CA} 60.76049 0.59262 1.10324 ++ {0.0} {i.ca} {22.N} 121.44946 0.31274 0.59112 ++ {0.0} {i.n} 0.0 0.2443 0 {} 0
178 {49.H} 8.69649 0.02560 0.05348 ++ {0.0} {i.h} {48.CB} 33.22348 0.65017 1.28938 ++ {0.0} {i-1.cb} {49.N} 119.70992 0.29545 0.56014 ++ {0.0} {i.n} 0.0 -0.1650 0 {} 0
179 {26.H} 8.65527 0.02805 0.04058 ++ {0.0} {i.h} {26.CB} 28.89711 0.73662 0.95955 ++ {0.0} {i.cb} {26.N} 119.02318 0.33344 0.47708 ++ {0.0} {i.n} 0.0 -0.0589 0 {} 0
180 {26.H} 8.65287 0.02300 0.03905 ++ {0.0} {i.h} {25.CB} 40.99072 0.65051 0.91757 ++ {0.0} {i-1.cb} {26.N} 119.01242 0.32743 0.51060 ++ {0.0} {i.n} 0.0 -0.0762 0 {} 0
181 {26.H} 8.65734 0.02790 0.04564 ++ {0.0} {i.h} {25.CA} 52.94276 0.70051 0.94615 ++ {0.0} {i-1.ca} {26.N} 119.02723 0.36264 0.54238 ++ {0.0} {i.n} 0.0 0.0665 0 {} 0
182 {26.H} 8.65579 0.03228 0.05103 ++ {0.0} {i.h} {26.CA} 54.72644 0.78140 1.06431 ++ {0.0} {i.ca} {26.N} 119.02868 0.34232 0.53265 ++ {0.0} {i.n} 0.0 0.0756 0 {} 0
183 {36.H} 8.71469 0.02560 0.04785 ++ {0.0} {i.h} {36.CB} 33.66492 0.65017 1.17932 ++ {0.0} {i.cb} {36.N} 118.99809 0.29545 0.53082 ++ {0.0} {i.n} 0.0 -0.1650 0 {} 0
184 {52.H} 8.23240 0.02869 0.07471 ++ {0.0} {i.h} {52.CA} 59.38108 0.78307 1.47399 ++ {0.0} {i.ca} {52.N} 118.99607 0.33213 0.63963 ++ {0.0} {i.n} 0.0 0.4524 0 {} 0
185 {13.H} 8.40340 0.02275 0.03229 ++ {0.0} {i.h} {12.CB} 29.52843 0.72790 0.93028 ++ {0.0} {i-1.cb} {13.N} 118.28512 0.33194 0.46113 ++ {0.0} {i.n} 0.0 -0.0549 0 {} 0
186 {13.H} 8.40431 0.02115 0.03807 ++ {0.0} {i.h} {} 59.91782 0.71130 1.00052 ++ {0.0} {i-1.ca} {13.N} 118.28751 0.33404 0.54649 ++ {0.0} {i.n} 0.0 0.0922 0 {} 0
187 {53.H} 8.32891 0.02714 0.03839 ++ {0.0} {i.h} {} 28.46629 0.74696 0.99645 ++ {0.0} {i-1.cb} {53.N} 117.96825 0.39060 0.60359 ++ {0.0} {i.n} 0.0 -0.0378 0 {} 0
188 {53.H} 8.32560 0.02513 0.06071 ++ {0.0} {i.h} {53.CB} 37.82126 0.71124 1.27019 ++ {0.0} {i.cb} {53.N} 117.96838 0.33999 0.65417 ++ {0.0} {i.n} 0.0 -0.2262 0 {} 0
189 {53.H} 8.32638 0.02837 0.05620 ++ {0.0} {i.h} {53.CA} 55.62331 0.69597 1.22731 ++ {0.0} {i.ca} {53.N} 117.96745 0.34811 0.67542 ++ {0.0} {i.n} 0.0 0.2649 0 {} 0
190 {53.H} 8.32730 0.03116 0.06465 ++ {0.0} {i.h} {52.CA} 59.25945 0.70686 1.23816 ++ {0.0} {i-1.ca} {53.N} 117.95200 0.34119 0.66312 ++ {0.0} {i.n} 0.0 0.3045 0 {} 0
191 {56.H} 7.48534 0.02341 0.04448 ++ {0.0} {i.h} {55.CA} 60.20021 0.73171 1.16672 ++ {0.0} {i-1.ca} {56.N} 117.96597 0.34249 0.61542 ++ {0.0} {i.n} 0.0 0.0846 0 {} 0
192 {56.H} 7.48563 0.02755 0.06233 ++ {0.0} {i.h} {56.CA} 57.69009 0.73167 1.28389 ++ {0.0} {i.ca} {56.N} 117.96442 0.34471 0.68567 ++ {0.0} {i.n} 0.0 0.3236 0 {} 0
193 {56.H} 7.48472 0.02648 0.05225 ++ {0.0} {i.h} {56.CB} 32.17235 0.96218 1.71696 ++ {0.0} {i.cb} {56.N} 117.96522 0.34137 0.64078 ++ {0.0} {i.n} 0.0 -0.1398 0 {} 0
194 {46.H} 8.05703 0.02503 0.06943 ++ {0.0} {i.h} {46.CB} 29.64450 0.82214 1.54594 ++ {0.0} {i.cb} {46.N} 117.59696 0.32103 0.61685 ++ {0.0} {i.n} 0.0 -0.2188 0 {} 0
195 {27.H} 7.94421 0.03014 0.04134 ++ {0.0} {i.h} {26.CB} 28.98431 0.74659 1.11392 ++ {0.0} {i-1.cb} {27.N} 114.78677 0.29353 0.48102 ++ {0.0} {i.n} 0.0 -0.0476 0 {} 0
196 {27.H} 7.94484 0.02545 0.04288 ++ {0.0} {i.h} {26.CA} 54.63383 0.60570 0.89897 ++ {0.0} {i-1.ca} {27.N} 114.80014 0.28764 0.48928 ++ {0.0} {i.n} 0.0 0.0575 0 {} 0
197 {27.H} 7.93884 0.02939 0.05474 ++ {0.0} {i.h} {27.CA} 56.69564 0.69800 1.28695 ++ {0.0} {i.ca} {27.N} 114.79793 0.31621 0.61531 ++ {0.0} {i.n} 0.0 0.3176 0 {} 0
198 {38.H} 7.89225 0.02307 0.03708 ++ {0.0} {i.h} {37.CB} 17.51223 0.54578 0.89382 ++ {0.0} {i-1.cb} {38.N} 114.42538 0.28704 0.49273 ++ {0.0} {i.n} 0.0 -0.0606 0 {} 0
199 {38.H} 7.89150 0.02075 0.04354 ++ {0.0} {i.h} {37.CA} 56.29995 0.65238 1.15346 ++ {0.0} {i-1.ca} {38.N} 114.43847 0.32729 0.60872 ++ {0.0} {i.n} 0.0 0.1226 0 {} 0
200 {43.H} 8.79076 0.02409 0.03419 ++ {0.0} {i.h} {42.CB} 47.71442 0.70009 0.82135 ++ {0.0} {i-1.cb} {43.N} 109.32745 0.32783 0.39404 ++ {0.0} {i.n} 0.0 -0.0336 0 {} 0
201 {43.H} 8.79199 0.02581 0.04341 ++ {0.0} {i.h} {43.CB} 71.10863 0.70459 1.11522 ++ {0.0} {i.cb} {43.N} 109.26580 0.36710 0.64207 ++ {0.0} {i.n} 0.0 -0.1070 0 {} 0
202 {5.H} 8.50493 0.02806 0.06429 ++ {0.0} {i.h} {4.CB} 30.90323 0.77565 1.32387 ++ {0.0} {i-1.cb} {5.N} 123.47200 0.48965 1.29218 ++ {0.0} {i.n} 0.0 -0.2010 0 {} 0
203 {32.H} 7.74381 0.02689 0.05896 ++ {0.0} {i.h} {} 29.71457 0.75135 1.29474 ++ {0.0} {i-1.cb} {32.N} 119.45015 0.35197 0.65049 ++ {0.0} {i.n} 0.0 -0.1131 0 {} 0
204 {19.H} 8.23496 0.02698 0.04171 ++ {0.0} {i.h} {18.CB} 37.76616 0.73467 1.06754 ++ {0.0} {i-1.cb} {19.N} 118.97786 0.35267 0.56717 ++ {0.0} {i.n} 0.0 -0.0439 0 {} 0
205 {19.H} 8.23350 0.02824 0.05926 ++ {0.0} {i.h} {} 29.02867 0.98027 1.51451 ++ {0.0} {i.cb} {19.N} 118.99920 0.32899 0.62487 ++ {0.0} {i.n} 0.0 -0.1707 0 {} 0
206 {19.H} 8.23240 0.03171 0.12952 ++ {0.0} {i.h} {19.CA} 59.38108 0.78307 1.53409 ++ {0.0} {i.ca} {19.N} 118.99607 0.33213 0.65166 ++ {0.0} {i.n} 0.0 0.4524 0 {} 0
207 {54.HE} 9.28264 0.03827 0.05869 ++ {0.0} {i.h} {} 40.57328 0.65403 0.99299 ++ {0.0} {i.ca} {54.NE} 110.94911 0.32093 0.53598 ++ {0.0} {i.n} 0.0 0.0814 0 {} 0
208 {12.H} 9.07940 0.01603 0.02825 ++ {0.0} {i.h} {12.CB} 29.43779 0.53444 0.81495 ++ {0.0} {i.cb} {12.N} 123.22626 0.26404 0.41828 ++ {0.0} {i.n} 0.0 -0.0264 0 {} 0
209 {12.H} 9.09690 0.02069 0.04447 ++ {0.0} {i.h} {12.CA} 59.84088 0.57894 0.91670 ++ {0.0} {i.ca} {12.N} 123.21470 0.33012 0.55509 ++ {0.0} {i.n} 0.0 0.0345 0 {} 0
210 {12.H} 9.08297 0.01975 0.02821 ++ {0.0} {i.h} {11.CA} 61.03603 0.62970 0.78390 ++ {0.0} {i-1.ca} {12.N} 123.23373 0.28864 0.40371 ++ {0.0} {i.n} 0.0 0.0183 0 {} 0
211 {12.H} 9.08120 0.01401 0.01923 ++ {0.0} {i.h} {} 71.02347 0.92280 1.13900 ++ {0.0} {i-1.cb} {12.N} 123.24957 0.22877 0.29136 ++ {0.0} {i.n} 0.0 -0.0151 0 {} 0
212 {4.H} 8.50493 0.02806 0.04293 ++ {0.0} {i.h} {4.CB} 30.90323 0.77565 1.09858 ++ {0.0} {i.cb} {4.N} 123.47200 0.48965 0.80899 ++ {0.0} {i.n} 0.0 -0.2010 0 {} 0
213 {5.H} 8.50072 0.02714 0.03877 ++ {0.0} {i.h} {5.CA} 56.22667 0.76837 0.92175 ++ {0.0} {i.ca} {5.N} 123.38204 0.49638 0.65355 ++ {0.0} {i.n} 0.0 0.2927 0 {} 0
214 {4.H} 8.50072 0.02714 0.03877 ++ {0.0} {i.h} {4.CA} 56.16361 0.76837 0.92175 ++ {0.0} {i.ca} {4.N} 123.38204 0.49638 0.65355 ++ {0.0} {i.n} 0.0 0.2927 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 . 'not observed' 6300 Hz . . . 4.778 . . 31056 5
2 . . C 13 C-aliphatic . 'not observed' 10500 Hz . . . 46.000 . . 31056 5
3 . . N 15 N . 'not observed' 1360 Hz . . . 119.001 . . 31056 5
stop_
save_