Content for NMR-STAR saveframe, "spectral_peak_list_7"
save_spectral_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_7
_Spectral_peak_list.Entry_ID 31057
_Spectral_peak_list.ID 7
_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 11
_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
AbdA_hncacb.nv
2580.9921875 10500.0 1300.01000977
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 {62.H} 7.79118 0.02520 0.04266 ++ {0.0} {i.h} {62.CB} 43.56187 0.65875 1.11097 ++ {0.0} {i.cb} {62.N} 128.33910 0.31911 0.59930 ++ {0.0} {i.n} 0.0 -0.3421 1 {} 0
1 {62.H} 7.79476 0.02184 0.03435 ++ {0.0} {i.h} {61.CB} 30.40489 0.60905 0.97030 ++ {0.0} {i-1.cb} {62.N} 128.34334 0.30655 0.52038 ++ {0.0} {i.n} 0.0 -0.1380 1 {} 0
2 {37.H} 8.37184 0.02083 0.01910 ++ {0.0} {i.h} {36.CB} 38.01930 0.66944 0.61856 ++ {0.0} {i-1.cb} {37.N} 124.32700 0.31613 0.28241 ++ {0.0} {i.n} 0.0 -0.0377 1 {} 0
3 {37.H} 8.36951 0.02204 0.03304 ++ {0.0} {i.h} {37.CB} 17.48578 0.62049 0.95238 ++ {0.0} {i.cb} {37.N} 124.34199 0.30187 0.49587 ++ {0.0} {i.n} 0.0 -0.1168 1 {} 0
4 {18.H} 8.18956 0.02566 0.03348 ++ {0.0} {i.h} {18.CB} 37.74354 0.74953 0.86388 ++ {0.0} {i.cb} {18.N} 123.42822 0.35591 0.43410 ++ {0.0} {i.n} 0.0 -0.0535 1 {} 0
5 {5.H} 8.50168 0.02829 0.04314 ++ {0.0} {i.h} {5.CB} 31.02421 0.74983 1.06229 ++ {0.0} {i.cb} {5.N} 123.40618 0.43561 0.69368 ++ {0.0} {i.n} 0.0 -0.1024 1 {} 0
6 {18.H} 8.18999 0.01692 0.00414 ++ {0.0} {i.h} {17.CB} 30.27748 0.78054 0.29058 ++ {0.0} {i-1.cb} {18.N} 123.41441 0.29805 0.05353 ++ {0.0} {i.n} 0.0 -0.0229 1 {} 0
7 {54.H} 8.15552 0.02053 0.02444 ++ {0.0} {i.h} {53.CB} 37.74203 0.60661 0.72378 ++ {0.0} {i-1.cb} {54.N} 123.02465 0.28323 0.34986 ++ {0.0} {i.n} 0.0 -0.0546 1 {} 0
8 {54.H} 8.15963 0.02214 0.03263 ++ {0.0} {i.h} {54.CB} 28.35701 0.70511 1.03671 ++ {0.0} {i.cb} {54.N} 123.01542 0.29934 0.48070 ++ {0.0} {i.n} 0.0 -0.1059 1 {} 0
9 {30.H} 8.85540 0.02391 0.02607 ++ {0.0} {i.h} {30.CB} 29.44214 0.67061 0.71429 ++ {0.0} {i.cb} {30.N} 122.68266 0.30429 0.33326 ++ {0.0} {i.n} 0.0 -0.0461 1 {} 0
10 {8.H} 8.54890 0.02131 0.02007 ++ {0.0} {i.h} {8.CB} 29.44108 0.48128 0.45063 ++ {0.0} {i.cb} {8.N} 122.65408 0.33392 0.29979 ++ {0.0} {i.n} 0.0 -0.0379 1 {} 0
11 {50.H} 8.16186 0.00999 0.00662 ++ {0.0} {i.h} {49.CB} 38.32005 0.73461 0.55807 ++ {0.0} {i-1.cb} {50.N} 122.32716 0.30457 0.20200 ++ {0.0} {i.n} 0.0 -0.0312 1 {} 0
12 {8.H} 8.56102 0.01953 0.00840 ++ {0.0} {i.h} {7.CB} 30.96737 0.60389 0.34833 ++ {0.0} {i-1.cb} {8.N} 122.36801 0.29027 0.14119 ++ {0.0} {i.n} 0.0 -0.0276 1 {} 0
13 {50.H} 8.16336 0.01631 0.02154 ++ {0.0} {i.h} {50.CB} 29.31981 0.58337 0.79471 ++ {0.0} {i.cb} {50.N} 122.32124 0.30431 0.44252 ++ {0.0} {i.n} 0.0 -0.0764 1 {} 0
14 {61.H} 8.24551 0.02046 0.03343 ++ {0.0} {i.h} {60.CB} 33.08515 0.63883 0.94172 ++ {0.0} {i-1.cb} {61.N} 122.00492 0.28396 0.47407 ++ {0.0} {i.n} 0.0 -0.1262 1 {} 0
15 {61.H} 8.24296 0.02378 0.04235 ++ {0.0} {i.h} {61.CB} 30.41765 0.66510 1.15708 ++ {0.0} {i.cb} {61.N} 122.00734 0.29738 0.55249 ++ {0.0} {i.n} 0.0 -0.2935 1 {} 0
16 {28.H} 8.41235 0.03157 0.04195 ++ {0.0} {i.h} {28.CB} 44.53863 0.76918 1.08972 ++ {0.0} {i.cb} {28.N} 121.68446 0.30106 0.46476 ++ {0.0} {i.n} 0.0 -0.0915 1 {} 0
17 {28.H} 8.41346 0.02452 0.02466 ++ {0.0} {i.h} {27.CB} 41.10759 0.84462 0.84946 ++ {0.0} {i-1.cb} {28.N} 121.67968 0.29108 0.29351 ++ {0.0} {i.n} 0.0 -0.0421 1 {} 0
18 {48.H} 8.56437 0.02123 0.01806 ++ {0.0} {i.h} {47.CB} 36.66523 0.64488 0.52742 ++ {0.0} {i-1.cb} {48.N} 121.67367 0.32923 0.24970 ++ {0.0} {i.n} 0.0 -0.0336 1 {} 0
19 {48.H} 8.56027 0.02438 0.03378 ++ {0.0} {i.h} {48.CB} 33.23431 0.74154 1.00945 ++ {0.0} {i.cb} {48.N} 121.65302 0.31661 0.49451 ++ {0.0} {i.n} 0.0 -0.0952 1 {} 0
20 {39.H} 8.18713 0.01769 0.01933 ++ {0.0} {i.h} {38.CB} 29.14101 0.67718 0.72686 ++ {0.0} {i-1.cb} {39.N} 121.66530 0.29079 0.32281 ++ {0.0} {i.n} 0.0 -0.0469 1 {} 0
21 {39.H} 8.18620 0.02209 0.03822 ++ {0.0} {i.h} {39.CB} 18.78766 0.68997 1.05346 ++ {0.0} {i.cb} {39.N} 121.67738 0.29227 0.50744 ++ {0.0} {i.n} 0.0 -0.1582 1 {} 0
22 {22.H} 9.05678 0.02058 0.03098 ++ {0.0} {i.h} {22.CB} 39.21635 0.70275 0.96252 ++ {0.0} {i.cb} {22.N} 121.33662 0.29446 0.44146 ++ {0.0} {i.n} 0.0 -0.0833 1 {} 0
23 {22.H} 9.05610 0.01562 0.01162 ++ {0.0} {i.h} {21.CB} 28.89353 0.66219 0.51943 ++ {0.0} {i-1.cb} {22.N} 121.32315 0.30780 0.21080 ++ {0.0} {i.n} 0.0 -0.0317 1 {} 0
24 {16.H} 8.23112 0.02212 0.03603 ++ {0.0} {i.h} {16.CB} 41.84806 0.71272 1.14092 ++ {0.0} {i.cb} {16.N} 121.01302 0.29568 0.50922 ++ {0.0} {i.n} 0.0 -0.1502 1 {} 0
25 {60.H} 8.09036 0.02305 0.04753 ++ {0.0} {i.h} {60.CB} 33.02192 0.70159 1.23455 ++ {0.0} {i.cb} {60.N} 121.00605 0.29739 0.55123 ++ {0.0} {i.n} 0.0 -0.2849 1 {} 0
26 {10.H} 8.16618 0.02592 0.04345 ++ {0.0} {i.h} {10.CB} 40.21483 0.67990 1.13000 ++ {0.0} {i.cb} {10.N} 120.67818 0.30969 0.54269 ++ {0.0} {i.n} 0.0 -0.1685 1 {} 0
27 {36.H} 8.67064 0.02055 0.03121 ++ {0.0} {i.h} {36.CB} 37.87148 0.71992 1.01099 ++ {0.0} {i.cb} {36.N} 120.68745 0.30869 0.46951 ++ {0.0} {i.n} 0.0 -0.0871 1 {} 0
28 {47.H} 8.02310 0.02225 0.03190 ++ {0.0} {i.h} {47.CB} 36.73470 0.77499 1.03077 ++ {0.0} {i.cb} {47.N} 120.62894 0.32777 0.46090 ++ {0.0} {i.n} 0.0 -0.0703 1 {} 0
29 {7.H} 8.29625 0.02083 0.03288 ++ {0.0} {i.h} {7.CB} 31.07947 0.59166 0.73346 ++ {0.0} {i.cb} {7.N} 120.70389 0.35303 0.46542 ++ {0.0} {i.n} 0.0 -0.0612 1 {} 0
30 {36.H} 8.66508 0.01640 0.01597 ++ {0.0} {i.h} {35.CB} 30.34262 0.66068 0.64542 ++ {0.0} {i-1.cb} {36.N} 120.68714 0.26940 0.25944 ++ {0.0} {i.n} 0.0 -0.0402 1 {} 0
31 {44.H} 9.13931 0.02377 0.02364 ++ {0.0} {i.h} {44.CB} 29.95444 0.74498 0.74093 ++ {0.0} {i.cb} {44.N} 120.58396 0.31538 0.31273 ++ {0.0} {i.n} 0.0 -0.0414 1 {} 0
32 {20.H} 7.78103 0.02548 0.03519 ++ {0.0} {i.h} {20.CB} 32.44764 0.65631 0.89374 ++ {0.0} {i.cb} {20.N} 120.36968 0.32817 0.49459 ++ {0.0} {i.n} 0.0 -0.0847 1 {} 0
33 {35.H} 7.78174 0.02308 0.04024 ++ {0.0} {i.h} {35.CB} 30.23088 0.76375 1.23734 ++ {0.0} {i.cb} {35.N} 120.33913 0.29350 0.50146 ++ {0.0} {i.n} 0.0 -0.1432 1 {} 0
34 {20.H} 7.77627 0.01174 0.00113 ++ {0.0} {i.h} {19.CB} 28.96355 0.66020 0.08589 ++ {0.0} {i-1.cb} {20.N} 120.34435 0.27698 0.02728 ++ {0.0} {i.n} 0.0 -0.0219 1 {} 0
35 {42.H} 8.27333 0.03082 0.04643 ++ {0.0} {i.h} {42.CB} 47.54274 0.69552 1.17434 ++ {0.0} {i.cb} {42.N} 120.00323 0.28681 0.50654 ++ {0.0} {i.n} 0.0 -0.1784 1 {} 0
36 {21.H} 7.89927 0.02563 0.03784 ++ {0.0} {i.h} {} 32.73383 0.81208 1.18153 ++ {0.0} {i-1.cb} {21.N} 120.00302 0.29499 0.47276 ++ {0.0} {i.n} 0.0 -0.1050 1 {} 0
37 {42.H} 8.27192 0.02005 0.02068 ++ {0.0} {i.h} {41.CB} 24.81425 0.60328 0.62061 ++ {0.0} {i-1.cb} {42.N} 120.01215 0.28137 0.29195 ++ {0.0} {i.n} 0.0 -0.0434 1 {} 0
38 {59.H} 7.88156 0.02425 0.02463 ++ {0.0} {i.h} {58.CB} 42.27490 0.74205 0.75595 ++ {0.0} {i-1.cb} {59.N} 119.72710 0.31937 0.32813 ++ {0.0} {i.n} 0.0 -0.0429 1 {} 0
39 {58.H} 7.49129 0.02213 0.03873 ++ {0.0} {i.h} {58.CB} 42.27535 0.70436 1.13194 ++ {0.0} {i.cb} {58.N} 119.70074 0.33227 0.57326 ++ {0.0} {i.n} 0.0 -0.1519 1 {} 0
40 {49.H} 8.59263 0.02002 0.02730 ++ {0.0} {i.h} {49.CB} 38.26681 0.63596 0.81508 ++ {0.0} {i.cb} {49.N} 119.62210 0.30406 0.42094 ++ {0.0} {i.n} 0.0 -0.0678 1 {} 0
41 {49.H} 8.59534 0.01620 0.01311 ++ {0.0} {i.h} {48.CB} 33.33116 0.64891 0.54678 ++ {0.0} {i-1.cb} {49.N} 119.63730 0.28779 0.21471 ++ {0.0} {i.n} 0.0 -0.0333 1 {} 0
42 {59.H} 7.88857 0.02289 0.03717 ++ {0.0} {i.h} {59.CB} 32.95940 0.74247 1.06557 ++ {0.0} {i.cb} {59.N} 119.78256 0.33908 0.54346 ++ {0.0} {i.n} 0.0 -0.1050 1 {} 0
43 {58.H} 7.48690 0.01890 0.01961 ++ {0.0} {i.h} {57.CB} 32.66092 0.69087 0.71237 ++ {0.0} {i-1.cb} {58.N} 119.69017 0.34041 0.35722 ++ {0.0} {i.n} 0.0 -0.0439 1 {} 0
44 {26.H} 8.65365 0.01741 0.01892 ++ {0.0} {i.h} {25.CB} 41.11527 0.60298 0.64913 ++ {0.0} {i-1.cb} {26.N} 119.34838 0.28758 0.31674 ++ {0.0} {i.n} 0.0 -0.0464 1 {} 0
45 {33.H} 8.47691 0.02505 0.03680 ++ {0.0} {i.h} {33.CB} 30.42328 0.99287 1.40509 ++ {0.0} {i.cb} {33.N} 119.34909 0.33711 0.52645 ++ {0.0} {i.n} 0.0 -0.0952 1 {} 0
46 {32.H} 7.70707 0.02184 0.03096 ++ {0.0} {i.h} {32.CB} 29.87790 0.62989 0.90658 ++ {0.0} {i.cb} {32.N} 119.26144 0.31968 0.49641 ++ {0.0} {i.n} 0.0 -0.0933 1 {} 0
47 {26.H} 8.65290 0.02491 0.02380 ++ {0.0} {i.h} {26.CB} 29.05419 0.54013 0.51248 ++ {0.0} {i.cb} {26.N} 119.35798 0.26918 0.25118 ++ {0.0} {i.n} 0.0 -0.0391 1 {} 0
48 {17.H} 7.74313 0.00797 0.00934 ++ {0.0} {i.h} {16.CB} 41.82926 0.70270 0.42987 ++ {0.0} {i-1.cb} {17.N} 118.96057 0.29129 0.14011 ++ {0.0} {i.n} 0.0 -0.0275 1 {} 0
49 {52.H} 8.22031 0.02245 0.02529 ++ {0.0} {i.h} {} 39.78011 0.58981 0.66581 ++ {0.0} {i-1.cb} {52.N} 119.00974 0.28739 0.33599 ++ {0.0} {i.n} 0.0 -0.0502 1 {} 0
50 {51.H} 9.01041 0.02592 0.02401 ++ {0.0} {i.h} {51.CB} 39.57265 0.81733 0.74101 ++ {0.0} {i.cb} {51.N} 119.09221 0.29387 0.25527 ++ {0.0} {i.n} 0.0 -0.0369 1 {} 0
51 {19.H} 8.18555 0.01855 0.02050 ++ {0.0} {i.h} {18.CB} 37.69411 0.62442 0.68058 ++ {0.0} {i-1.cb} {19.N} 119.02049 0.28816 0.32358 ++ {0.0} {i.n} 0.0 -0.0476 1 {} 0
52 {17.H} 7.73563 0.02892 0.04644 ++ {0.0} {i.h} {17.CB} 30.18899 0.71466 1.03802 ++ {0.0} {i.cb} {17.N} 118.98171 0.31579 0.50855 ++ {0.0} {i.n} 0.0 -0.1071 1 {} 0
53 {19.H} 8.18668 0.02194 0.03790 ++ {0.0} {i.h} {19.CB} 29.17104 0.74151 1.08205 ++ {0.0} {i.cb} {19.N} 119.00784 0.30270 0.47853 ++ {0.0} {i.n} 0.0 -0.0995 1 {} 0
54 {52.H} 8.21832 0.01738 0.03390 ++ {0.0} {i.h} {52.CB} 28.50074 0.70765 1.08970 ++ {0.0} {i.cb} {52.N} 118.99464 0.28896 0.48804 ++ {0.0} {i.n} 0.0 -0.1342 1 {} 0
55 {45.H} 8.34228 0.02020 0.04057 ++ {0.0} {i.h} {45.CB} 30.08319 0.72477 1.11721 ++ {0.0} {i.cb} {45.N} 118.67634 0.31445 0.54517 ++ {0.0} {i.n} 0.0 -0.1567 1 {} 0
56 {34.H} 7.97643 0.02251 0.02859 ++ {0.0} {i.h} {34.CB} 38.41272 0.68238 0.83144 ++ {0.0} {i.cb} {34.N} 118.28173 0.30719 0.40172 ++ {0.0} {i.n} 0.0 -0.0603 1 {} 0
57 {57.H} 7.35867 0.02695 0.04587 ++ {0.0} {i.h} {57.CB} 32.50989 0.76580 1.25373 ++ {0.0} {i.cb} {57.N} 118.33395 0.29698 0.53233 ++ {0.0} {i.n} 0.0 -0.2011 1 {} 0
58 {13.H} 8.41811 0.02017 0.02979 ++ {0.0} {i.h} {13.CB} 39.65059 0.73129 1.04666 ++ {0.0} {i.cb} {13.N} 118.02053 0.33286 0.50553 ++ {0.0} {i.n} 0.0 -0.0867 1 {} 0
59 {53.H} 8.31558 0.02079 0.04152 ++ {0.0} {i.h} {53.CB} 37.83699 0.69309 1.10177 ++ {0.0} {i.cb} {53.N} 118.00920 0.30509 0.53977 ++ {0.0} {i.n} 0.0 -0.1808 1 {} 0
60 {56.H} 7.48671 0.02305 0.03275 ++ {0.0} {i.h} {56.CB} 32.23411 0.84975 1.25584 ++ {0.0} {i.cb} {56.N} 118.01085 0.31404 0.48483 ++ {0.0} {i.n} 0.0 -0.0915 1 {} 0
61 {13.H} 8.41571 0.01781 0.01559 ++ {0.0} {i.h} {} 29.58706 0.60425 0.54135 ++ {0.0} {i-1.cb} {13.N} 118.02355 0.28026 0.24354 ++ {0.0} {i.n} 0.0 -0.0369 1 {} 0
62 {53.H} 8.31700 0.01625 0.01394 ++ {0.0} {i.h} {52.CB} 28.46212 0.63312 0.56523 ++ {0.0} {i-1.cb} {53.N} 118.03362 0.26473 0.22252 ++ {0.0} {i.n} 0.0 -0.0360 1 {} 0
63 {55.H} 7.96304 0.02203 0.03123 ++ {0.0} {i.h} {55.CB} 31.73599 0.81603 1.09188 ++ {0.0} {i.cb} {55.N} 117.65787 0.28577 0.42034 ++ {0.0} {i.n} 0.0 -0.0789 1 {} 0
64 {55.H} 7.96044 0.01826 0.00967 ++ {0.0} {i.h} {54.CB} 28.35280 0.68483 0.41684 ++ {0.0} {i-1.cb} {55.N} 117.66261 0.28044 0.15511 ++ {0.0} {i.n} 0.0 -0.0288 1 {} 0
65 {41.H} 8.00395 0.02664 0.02448 ++ {0.0} {i.h} {40.CB} 42.59992 0.67910 0.59877 ++ {0.0} {i-1.cb} {41.N} 117.34335 0.27432 0.22862 ++ {0.0} {i.n} 0.0 -0.0358 1 {} 0
66 {24.H} 7.62273 0.02074 0.04043 ++ {0.0} {i.h} {24.CB} 39.84293 0.69912 0.98250 ++ {0.0} {i.cb} {24.N} 117.34513 0.32038 0.48868 ++ {0.0} {i.n} 0.0 -0.0879 1 {} 0
67 {9.H} 8.17785 0.03025 0.02447 ++ {0.0} {i.h} {} 29.64146 0.65309 0.36192 ++ {0.0} {i-1.cb} {9.N} 117.33009 0.30857 0.14888 ++ {0.0} {i.n} 0.0 -0.0275 1 {} 0
68 {} 7.99609 0.02565 0.03953 ++ {0.0} {} {} 29.48590 0.89239 1.45069 ++ {0.0} {} {} 117.33330 0.30194 0.50674 ++ {0.0} {} 0.0 -0.1297 -1 {} 0
69 {24.H} 7.62974 0.01264 0.01151 ++ {0.0} {i.h} {23.CB} 29.15324 0.56325 0.52398 ++ {0.0} {i-1.cb} {24.N} 117.32052 0.30822 0.27888 ++ {0.0} {i.n} 0.0 -0.0381 1 {} 0
70 {41.H} 8.01048 0.02431 0.04014 ++ {0.0} {i.h} {41.CB} 24.89866 0.67541 1.02743 ++ {0.0} {i.cb} {41.N} 117.34061 0.32138 0.54571 ++ {0.0} {i.n} 0.0 -0.1382 1 {} 0
71 {25.H} 8.34200 0.02350 0.04518 ++ {0.0} {i.h} {25.CB} 41.07562 0.67168 1.09303 ++ {0.0} {i.cb} {25.N} 116.66499 0.29947 0.54099 ++ {0.0} {i.n} 0.0 -0.2156 1 {} 0
72 {25.H} 8.34064 0.01848 0.01671 ++ {0.0} {i.h} {24.CB} 39.75430 0.48820 0.43715 ++ {0.0} {i-1.cb} {25.N} 116.66358 0.28046 0.23904 ++ {0.0} {i.n} 0.0 -0.0364 1 {} 0
73 {14.H} 7.76039 0.01963 0.02262 ++ {0.0} {i.h} {13.CB} 39.59330 0.61099 0.68461 ++ {0.0} {i-1.cb} {14.N} 115.98653 0.28420 0.33598 ++ {0.0} {i.n} 0.0 -0.0510 1 {} 0
74 {31.H} 8.32947 0.02159 0.03819 ++ {0.0} {i.h} {31.CB} 29.88201 0.77559 1.37306 ++ {0.0} {i.cb} {31.N} 115.99554 0.30138 0.53471 ++ {0.0} {i.n} 0.0 -0.1848 1 {} 0
75 {14.H} 7.76460 0.02648 0.03956 ++ {0.0} {i.h} {14.CB} 27.86939 0.69453 1.03062 ++ {0.0} {i.cb} {14.N} 115.99780 0.29268 0.47488 ++ {0.0} {i.n} 0.0 -0.1105 1 {} 0
76 {27.H} 7.99084 0.03134 0.04257 ++ {0.0} {i.h} {27.CB} 41.09823 0.76418 1.07272 ++ {0.0} {i.cb} {27.N} 114.95961 0.31543 0.49245 ++ {0.0} {i.n} 0.0 -0.0951 1 {} 0
77 {27.H} 7.98662 0.01548 0.01012 ++ {0.0} {i.h} {26.CB} 29.14618 0.61151 0.41764 ++ {0.0} {i-1.cb} {27.N} 114.98887 0.30633 0.16823 ++ {0.0} {i.n} 0.0 -0.0288 1 {} 0
78 {11.H} 9.19153 0.02377 0.01632 ++ {0.0} {i.h} {10.CB} 40.27916 0.72130 0.50708 ++ {0.0} {i-1.cb} {11.N} 114.61341 0.33098 0.21047 ++ {0.0} {i.n} 0.0 -0.0306 1 {} 0
79 {23.H} 7.93704 0.01587 0.01585 ++ {0.0} {i.h} {22.CB} 39.19985 0.63414 0.63384 ++ {0.0} {i-1.cb} {23.N} 114.31555 0.27049 0.27029 ++ {0.0} {i.n} 0.0 -0.0417 1 {} 0
80 {38.H} 8.02156 0.01901 0.02707 ++ {0.0} {i.h} {38.CB} 29.13146 0.76529 1.01098 ++ {0.0} {i.cb} {38.N} 114.25754 0.31608 0.46708 ++ {0.0} {i.n} 0.0 -0.0799 1 {} 0
81 {23.H} 7.93831 0.02266 0.03721 ++ {0.0} {i.h} {23.CB} 29.06385 0.65980 1.05974 ++ {0.0} {i.cb} {23.N} 114.31761 0.29450 0.49844 ++ {0.0} {i.n} 0.0 -0.1357 1 {} 0
82 {38.H} 8.02079 0.01768 0.00436 ++ {0.0} {i.h} {37.CB} 17.43120 0.83570 0.38079 ++ {0.0} {i-1.cb} {38.N} 114.21947 0.35365 0.09469 ++ {0.0} {i.n} 0.0 -0.0241 1 {} 0
83 {15.H} 8.52966 0.02035 0.01812 ++ {0.0} {i.h} {14.CB} 27.81851 0.63178 0.55841 ++ {0.0} {i-1.cb} {15.N} 113.61711 0.31607 0.26762 ++ {0.0} {i.n} 0.0 -0.0362 1 {} 0
84 {40.H} 8.39742 0.02406 0.04122 ++ {0.0} {i.h} {40.CB} 42.74475 0.73922 1.12479 ++ {0.0} {i.cb} {40.N} 112.98959 0.30508 0.51380 ++ {0.0} {i.n} 0.0 -0.1321 1 {} 0
85 {40.H} 8.40185 0.02663 0.02058 ++ {0.0} {i.h} {39.CB} 18.66787 0.59391 0.45999 ++ {0.0} {i-1.cb} {40.N} 112.99632 0.27067 0.17870 ++ {0.0} {i.n} 0.0 -0.0311 1 {} 0
86 {} 7.52844 0.01537 0.00307 ++ {0.0} {} {} 29.59041 0.78214 0.25455 ++ {0.0} {} {} 112.36360 0.41499 0.06417 ++ {0.0} {} 0.0 -0.0226 1 {} 0
87 {29.H} 7.63798 0.02293 0.01835 ++ {0.0} {i.h} {28.CB} 44.45981 0.66856 0.50211 ++ {0.0} {i-1.cb} {29.N} 111.69921 0.34843 0.24324 ++ {0.0} {i.n} 0.0 -0.0320 1 {} 0
88 {} 9.30379 0.02461 0.00849 ++ {0.0} {} {} 23.66803 0.87987 0.36636 ++ {0.0} {} {} 109.97722 0.30975 0.09187 ++ {0.0} {} 0.0 -0.0245 1 {} 0
89 {43.H} 8.76830 0.01935 0.01676 ++ {0.0} {i.h} {42.CB} 47.59557 0.68413 0.57775 ++ {0.0} {i-1.cb} {43.N} 109.32088 0.31054 0.24079 ++ {0.0} {i.n} 0.0 -0.0341 1 {} 0
90 {44.H} 9.14440 0.01669 0.01457 ++ {0.0} {i.h} {43.CB} 71.25508 0.48404 0.42302 ++ {0.0} {i-1.cb} {44.N} 120.63867 0.30410 0.25058 ++ {0.0} {i.n} 0.0 -0.0355 1 {} 0
91 {11.H} 9.19208 0.02119 0.03121 ++ {0.0} {i.h} {11.CB} 71.21265 0.74238 0.99772 ++ {0.0} {i.cb} {11.N} 114.60788 0.31498 0.46139 ++ {0.0} {i.n} 0.0 -0.0780 1 {} 0
92 {43.H} 8.76793 0.02390 0.03875 ++ {0.0} {i.h} {43.CB} 71.19265 0.69825 0.97101 ++ {0.0} {i.cb} {43.N} 109.33285 0.33014 0.50456 ++ {0.0} {i.n} 0.0 -0.0885 1 {} 0
93 {30.H} 8.85647 0.01809 0.01983 ++ {0.0} {i.h} {29.CB} 70.86784 0.68038 0.72350 ++ {0.0} {i-1.cb} {30.N} 122.68123 0.28736 0.31321 ++ {0.0} {i.n} 0.0 -0.0458 1 {} 0
94 {29.H} 7.63826 0.02211 0.03026 ++ {0.0} {i.h} {29.CB} 70.86119 0.66462 0.86440 ++ {0.0} {i.cb} {29.N} 111.69907 0.32582 0.46388 ++ {0.0} {i.n} 0.0 -0.0724 1 {} 0
95 {10.H} 8.16645 0.02242 0.02654 ++ {0.0} {i.h} {9.CB} 70.15554 0.57994 0.68389 ++ {0.0} {i-1.cb} {10.N} 120.67806 0.29729 0.36233 ++ {0.0} {i.n} 0.0 -0.0534 1 {} 0
96 {9.H} 8.16936 0.02917 0.03278 ++ {0.0} {i.h} {9.CB} 70.15833 0.65496 0.75322 ++ {0.0} {i.cb} {9.N} 117.32764 0.29777 0.36083 ++ {0.0} {i.n} 0.0 -0.0529 1 {} 0
97 {16.H} 8.22766 0.01384 0.00636 ++ {0.0} {i.h} {15.CB} 68.37701 0.68520 0.37354 ++ {0.0} {i-1.cb} {16.N} 120.98219 0.26037 0.12484 ++ {0.0} {i.n} 0.0 -0.0274 1 {} 0
98 {15.H} 8.52576 0.02075 0.02620 ++ {0.0} {i.h} {15.CB} 68.44029 0.65537 0.73881 ++ {0.0} {i.cb} {15.N} 113.62770 0.31868 0.39635 ++ {0.0} {i.n} 0.0 -0.0552 1 {} 0
99 {62.H} 7.79130 0.02528 0.04635 ++ {0.0} {i.h} {62.CA} 56.80299 0.71280 1.31846 ++ {0.0} {i.ca} {62.N} 128.33809 0.32010 0.61762 ++ {0.0} {i.n} 0.0 0.5915 1 {} 0
100 {37.H} 8.36991 0.02705 0.03057 ++ {0.0} {i.h} {36.CA} 64.73873 0.73445 0.84408 ++ {0.0} {i-1.ca} {37.N} 124.33984 0.30697 0.37209 ++ {0.0} {i.n} 0.0 0.0530 1 {} 0
101 {37.H} 8.36705 0.02077 0.04685 ++ {0.0} {i.h} {37.CA} 56.54266 0.61449 1.07471 ++ {0.0} {i.ca} {37.N} 124.34454 0.28953 0.52579 ++ {0.0} {i.n} 0.0 0.2268 1 {} 0
102 {12.H} 9.09366 0.02270 0.00444 ++ {0.0} {i.h} {11.CA} 61.17821 0.47445 0.10056 ++ {0.0} {i-1.ca} {12.N} 123.34726 0.28352 0.05385 ++ {0.0} {i.n} 0.0 0.0231 1 {} 0
103 {12.H} 9.09399 0.02159 0.01158 ++ {0.0} {i.h} {12.CA} 59.90927 0.56817 0.33928 ++ {0.0} {i.ca} {12.N} 123.34607 0.27297 0.13658 ++ {0.0} {i.n} 0.0 0.0278 1 {} 0
104 {18.H} 8.19176 0.02733 0.03949 ++ {0.0} {i.h} {18.CA} 58.43344 0.80859 1.10442 ++ {0.0} {i.ca} {18.N} 123.42049 0.33563 0.54254 ++ {0.0} {i.n} 0.0 0.1088 1 {} 0
105 {5.H} 8.50045 0.02885 0.05303 ++ {0.0} {i.h} {4.CA} 56.22073 0.67720 1.07914 ++ {0.0} {i-1.ca} {5.N} 123.43186 0.45513 0.91929 ++ {0.0} {i.n} 0.0 0.1568 1 {} 0
106 {54.H} 8.15975 0.02553 0.04418 ++ {0.0} {i.h} {54.CA} 56.38294 0.78636 1.40429 ++ {0.0} {i.ca} {54.N} 123.01832 0.29951 0.53198 ++ {0.0} {i.n} 0.0 0.1864 1 {} 0
107 {30.H} 8.85512 0.02421 0.04804 ++ {0.0} {i.h} {30.CA} 60.31581 0.64573 0.98064 ++ {0.0} {i.ca} {30.N} 122.68343 0.30540 0.51603 ++ {0.0} {i.n} 0.0 0.1345 1 {} 0
108 {8.H} 8.56449 0.02812 0.04085 ++ {0.0} {i.h} {8.CA} 55.80005 0.71992 0.90871 ++ {0.0} {i.ca} {8.N} 122.59064 0.31589 0.43312 ++ {0.0} {i.n} 0.0 0.0663 1 {} 0
109 {50.H} 8.16484 0.02087 0.02052 ++ {0.0} {i.h} {49.CA} 64.42667 0.62869 0.59322 ++ {0.0} {i-1.ca} {50.N} 122.32791 0.24914 0.24242 ++ {0.0} {i.n} 0.0 0.0406 1 {} 0
110 {50.H} 8.16028 0.02424 0.03869 ++ {0.0} {i.h} {50.CA} 63.33395 0.63751 1.03479 ++ {0.0} {i.ca} {50.N} 122.33349 0.31297 0.53599 ++ {0.0} {i.n} 0.0 0.1452 1 {} 0
111 {61.H} 8.24491 0.02407 0.04943 ++ {0.0} {i.h} {61.CA} 56.57763 0.71357 1.23116 ++ {0.0} {i.ca} {61.N} 122.00518 0.30223 0.58362 ++ {0.0} {i.n} 0.0 0.6051 1 {} 0
112 {48.H} 8.56620 0.02120 0.02273 ++ {0.0} {i.h} {47.CA} 64.14474 0.72994 0.80832 ++ {0.0} {i-1.ca} {48.N} 121.66900 0.31075 0.35079 ++ {0.0} {i.n} 0.0 0.0479 1 {} 0
113 {48.H} 8.55849 0.02046 0.03797 ++ {0.0} {i.h} {48.CA} 60.23077 0.63373 1.02032 ++ {0.0} {i.ca} {48.N} 121.64807 0.32796 0.56677 ++ {0.0} {i.n} 0.0 0.1535 1 {} 0
114 {39.H} 8.18608 0.02214 0.03020 ++ {0.0} {i.h} {38.CA} 58.33635 0.58784 0.76974 ++ {0.0} {i-1.ca} {39.N} 121.64629 0.24916 0.36612 ++ {0.0} {i.n} 0.0 0.0786 1 {} 0
115 {28.H} 8.41427 0.02212 0.02919 ++ {0.0} {i.h} {27.CA} 56.71774 0.71882 0.88203 ++ {0.0} {i-1.ca} {28.N} 121.67698 0.29438 0.39401 ++ {0.0} {i.n} 0.0 0.0631 1 {} 0
116 {39.H} 8.18747 0.02191 0.04645 ++ {0.0} {i.h} {39.CA} 55.12182 0.67929 1.11545 ++ {0.0} {i.ca} {39.N} 121.67458 0.29085 0.54235 ++ {0.0} {i.n} 0.0 0.3085 1 {} 0
117 {28.H} 8.41109 0.02877 0.04713 ++ {0.0} {i.h} {28.CA} 53.34184 0.72733 1.08911 ++ {0.0} {i.ca} {28.N} 121.68851 0.31594 0.54012 ++ {0.0} {i.n} 0.0 0.1437 1 {} 0
118 {22.H} 9.05535 0.02254 0.04186 ++ {0.0} {i.h} {22.CA} 60.67326 0.64331 0.94910 ++ {0.0} {i.ca} {22.N} 121.33643 0.31150 0.53017 ++ {0.0} {i.n} 0.0 0.1400 1 {} 0
119 {22.H} 9.05727 0.02132 0.02556 ++ {0.0} {i.h} {21.CA} 59.32220 0.51048 0.59855 ++ {0.0} {i-1.ca} {22.N} 121.33655 0.30517 0.39012 ++ {0.0} {i.n} 0.0 0.0578 1 {} 0
120 {16.H} 8.23100 0.02089 0.01398 ++ {0.0} {i.h} {15.CA} 67.52972 0.60212 0.48796 ++ {0.0} {i-1.ca} {16.N} 121.00713 0.32120 0.23378 ++ {0.0} {i.n} 0.0 0.0328 1 {} 0
121 {16.H} 8.23033 0.02394 0.04385 ++ {0.0} {i.h} {16.CA} 58.30128 0.61088 1.09206 ++ {0.0} {i.ca} {16.N} 121.00938 0.29577 0.53751 ++ {0.0} {i.n} 0.0 0.2285 1 {} 0
122 {60.H} 8.09056 0.02320 0.04507 ++ {0.0} {i.h} {60.CA} 56.64347 0.77826 1.34440 ++ {0.0} {i.ca} {60.N} 121.00463 0.30018 0.56573 ++ {0.0} {i.n} 0.0 0.3617 1 {} 0
123 {36.H} 8.67002 0.02339 0.04055 ++ {0.0} {i.h} {36.CA} 64.72462 0.65955 1.01177 ++ {0.0} {i.ca} {36.N} 120.69582 0.32524 0.55440 ++ {0.0} {i.n} 0.0 0.1412 1 {} 0
124 {47.H} 8.02309 0.02562 0.03925 ++ {0.0} {i.h} {47.CA} 64.10960 0.68996 0.99814 ++ {0.0} {i.ca} {47.N} 120.64372 0.33622 0.54580 ++ {0.0} {i.n} 0.0 0.1108 1 {} 0
125 {10.H} 8.16800 0.02159 0.02858 ++ {0.0} {i.h} {9.CA} 62.00584 0.58274 0.76643 ++ {0.0} {i-1.ca} {10.N} 120.66402 0.30947 0.41913 ++ {0.0} {i.n} 0.0 0.0646 1 {} 0
126 {44.H} 9.14192 0.02293 0.02996 ++ {0.0} {i.h} {43.CA} 60.39082 0.77361 0.93448 ++ {0.0} {i-1.ca} {44.N} 120.58894 0.34517 0.45441 ++ {0.0} {i.n} 0.0 0.0610 1 {} 0
127 {36.H} 8.66842 0.01863 0.02574 ++ {0.0} {i.h} {} 59.71434 0.60552 0.77942 ++ {0.0} {i-1.ca} {36.N} 120.68430 0.30481 0.42523 ++ {0.0} {i.n} 0.0 0.0690 1 {} 0
128 {47.H} 8.02365 0.01706 0.01796 ++ {0.0} {i.h} {46.CA} 59.45473 0.54068 0.56622 ++ {0.0} {i-1.ca} {47.N} 120.63599 0.30270 0.32105 ++ {0.0} {i.n} 0.0 0.0444 1 {} 0
129 {10.H} 8.16681 0.02598 0.05152 ++ {0.0} {i.h} {10.CA} 56.79990 0.65194 1.14411 ++ {0.0} {i.ca} {10.N} 120.68269 0.31721 0.58450 ++ {0.0} {i.n} 0.0 0.2651 1 {} 0
130 {7.H} 8.29628 0.02158 0.03279 ++ {0.0} {i.h} {7.CA} 56.09843 0.74259 1.03046 ++ {0.0} {i.ca} {7.N} 120.72162 0.34343 0.53404 ++ {0.0} {i.n} 0.0 0.0938 1 {} 0
131 {20.H} 7.78093 0.02339 0.05090 ++ {0.0} {i.h} {20.CA} 59.73894 0.74676 1.34148 ++ {0.0} {i.ca} {20.N} 120.35038 0.31860 0.60512 ++ {0.0} {i.n} 0.0 0.4143 1 {} 0
132 {42.H} 8.27307 0.02706 0.02082 ++ {0.0} {i.h} {41.CA} 60.39509 0.65648 0.51921 ++ {0.0} {i-1.ca} {42.N} 120.01584 0.28690 0.20106 ++ {0.0} {i.n} 0.0 0.0321 1 {} 0
133 {21.H} 7.89880 0.02480 0.04404 ++ {0.0} {i.h} {21.CA} 59.31908 0.84997 1.46801 ++ {0.0} {i.ca} {21.N} 120.00278 0.29389 0.52491 ++ {0.0} {i.n} 0.0 0.1950 1 {} 0
134 {42.H} 8.27405 0.03172 0.04953 ++ {0.0} {i.h} {42.CA} 52.69832 0.64144 1.08518 ++ {0.0} {i.ca} {42.N} 120.00795 0.28700 0.52543 ++ {0.0} {i.n} 0.0 0.2465 1 {} 0
135 {49.H} 8.59156 0.02126 0.03540 ++ {0.0} {i.h} {49.CA} 64.41695 0.57841 0.88766 ++ {0.0} {i.ca} {49.N} 119.63378 0.32053 0.52393 ++ {0.0} {i.n} 0.0 0.1142 1 {} 0
136 {49.H} 8.60014 0.01737 0.01634 ++ {0.0} {i.h} {48.CA} 60.27403 0.64114 0.60615 ++ {0.0} {i-1.ca} {49.N} 119.66284 0.31576 0.29078 ++ {0.0} {i.n} 0.0 0.0387 1 {} 0
137 {58.H} 7.48954 0.01843 0.02660 ++ {0.0} {i.h} {57.CA} 57.29629 0.44381 0.58542 ++ {0.0} {i-1.ca} {58.N} 119.69408 0.26991 0.40321 ++ {0.0} {i.n} 0.0 0.0824 1 {} 0
138 {59.H} 7.88687 0.02267 0.03849 ++ {0.0} {i.h} {59.CA} 56.92849 0.60480 1.06087 ++ {0.0} {i.ca} {59.N} 119.70255 0.32541 0.57493 ++ {0.0} {i.n} 0.0 0.1789 1 {} 0
139 {58.H} 7.49169 0.02223 0.04344 ++ {0.0} {i.h} {58.CA} 56.11393 0.56561 0.99792 ++ {0.0} {i.ca} {58.N} 119.69188 0.31802 0.58541 ++ {0.0} {i.n} 0.0 0.2621 1 {} 0
140 {59.H} 7.88644 0.01371 0.01746 ++ {0.0} {i.h} {} 55.87394 0.52086 0.65963 ++ {0.0} {i-1.ca} {59.N} 119.69487 0.29519 0.37073 ++ {0.0} {i.n} 0.0 0.0561 1 {} 0
141 {} 8.19128 0.01838 0.00113 ++ {0.0} {} {} 63.58273 0.71102 0.05735 ++ {0.0} {} {} 119.32110 0.31415 0.01541 ++ {0.0} {} 0.0 0.0214 1 {} 0
142 {33.H} 8.47692 0.02304 0.04288 ++ {0.0} {i.h} {33.CA} 60.79050 0.65978 1.06359 ++ {0.0} {i.ca} {33.N} 119.34100 0.30119 0.53967 ++ {0.0} {i.n} 0.0 0.2004 1 {} 0
143 {33.H} 8.47456 0.01519 0.02240 ++ {0.0} {i.h} {32.CA} 57.39045 0.56215 0.78278 ++ {0.0} {i-1.ca} {33.N} 119.34173 0.29701 0.44407 ++ {0.0} {i.n} 0.0 0.0826 1 {} 0
144 {32.H} 7.70543 0.02367 0.03978 ++ {0.0} {i.h} {32.CA} 57.38064 0.73174 1.09101 ++ {0.0} {i.ca} {32.N} 119.29394 0.33343 0.55407 ++ {0.0} {i.n} 0.0 0.1234 1 {} 0
145 {26.H} 8.65852 0.02665 0.03531 ++ {0.0} {i.h} {26.CA} 54.58707 0.53077 0.65505 ++ {0.0} {i.ca} {26.N} 119.35026 0.30183 0.39951 ++ {0.0} {i.n} 0.0 0.0617 1 {} 0
146 {26.H} 8.65551 0.02950 0.03701 ++ {0.0} {i.h} {25.CA} 53.29533 0.44724 0.51820 ++ {0.0} {i-1.ca} {26.N} 119.33691 0.30792 0.37849 ++ {0.0} {i.n} 0.0 0.0541 1 {} 0
147 {52.H} 8.21730 0.01795 0.02670 ++ {0.0} {i.h} {51.CA} 63.66445 0.69082 0.86200 ++ {0.0} {i-1.ca} {52.N} 118.98668 0.28834 0.40051 ++ {0.0} {i.n} 0.0 0.0683 1 {} 0
148 {51.H} 9.00408 0.02500 0.03487 ++ {0.0} {i.h} {51.CA} 63.50127 0.67402 0.94305 ++ {0.0} {i.ca} {51.N} 119.08039 0.33712 0.51367 ++ {0.0} {i.n} 0.0 0.0876 1 {} 0
149 {52.H} 8.21780 0.02822 0.03950 ++ {0.0} {i.h} {52.CA} 59.51210 0.61221 1.07746 ++ {0.0} {i.ca} {52.N} 119.00330 0.29134 0.53258 ++ {0.0} {i.n} 0.0 0.2426 1 {} 0
150 {19.H} 8.18841 0.01975 0.02821 ++ {0.0} {i.h} {19.CA} 59.32954 0.69367 1.02401 ++ {0.0} {i.ca} {19.N} 119.00780 0.30087 0.52432 ++ {0.0} {i.n} 0.0 0.1622 1 {} 0
151 {17.H} 7.73568 0.02417 0.04680 ++ {0.0} {i.h} {17.CA} 58.64989 0.75183 1.23899 ++ {0.0} {i.ca} {17.N} 118.98219 0.31567 0.56472 ++ {0.0} {i.n} 0.0 0.1977 1 {} 0
152 {45.H} 8.33929 0.02122 0.02661 ++ {0.0} {i.h} {44.CA} 61.21013 0.71455 0.80775 ++ {0.0} {i-1.ca} {45.N} 118.66504 0.28224 0.37619 ++ {0.0} {i.n} 0.0 0.0625 1 {} 0
153 {45.H} 8.34469 0.02311 0.04319 ++ {0.0} {i.h} {45.CA} 59.65109 0.73127 1.13510 ++ {0.0} {i.ca} {45.N} 118.67433 0.32369 0.57666 ++ {0.0} {i.n} 0.0 0.1910 1 {} 0
154 {34.H} 7.97352 0.01907 0.02763 ++ {0.0} {i.h} {34.CA} 65.43591 0.65676 0.91478 ++ {0.0} {i.ca} {34.N} 118.26373 0.31737 0.50159 ++ {0.0} {i.n} 0.0 0.0995 1 {} 0
155 {57.H} 7.35895 0.02563 0.05537 ++ {0.0} {i.h} {57.CA} 57.43592 0.73904 1.25876 ++ {0.0} {i.ca} {57.N} 118.33498 0.29810 0.55870 ++ {0.0} {i.n} 0.0 0.3317 1 {} 0
156 {13.H} 8.42016 0.02259 0.03919 ++ {0.0} {i.h} {13.CA} 61.36651 0.67632 1.02232 ++ {0.0} {i.ca} {13.N} 118.01492 0.33732 0.58463 ++ {0.0} {i.n} 0.0 0.1564 1 {} 0
157 {56.H} 7.48672 0.01683 0.02157 ++ {0.0} {i.h} {55.CA} 60.12271 0.53416 0.65928 ++ {0.0} {i-1.ca} {56.N} 118.01073 0.30214 0.40448 ++ {0.0} {i.n} 0.0 0.0631 1 {} 0
158 {13.H} 8.41752 0.02667 0.02872 ++ {0.0} {i.h} {12.CA} 59.89915 0.64987 0.71102 ++ {0.0} {i-1.ca} {13.N} 118.01492 0.36166 0.41629 ++ {0.0} {i.n} 0.0 0.0492 1 {} 0
159 {53.H} 8.31571 0.01762 0.02540 ++ {0.0} {i.h} {52.CA} 59.54360 0.57952 0.79064 ++ {0.0} {i-1.ca} {53.N} 118.00431 0.29132 0.42580 ++ {0.0} {i.n} 0.0 0.0775 1 {} 0
160 {56.H} 7.48668 0.02341 0.04346 ++ {0.0} {i.h} {56.CA} 57.72121 0.64580 1.04961 ++ {0.0} {i.ca} {56.N} 118.00732 0.31518 0.57478 ++ {0.0} {i.n} 0.0 0.2366 1 {} 0
161 {53.H} 8.31703 0.02518 0.04414 ++ {0.0} {i.h} {53.CA} 55.60949 0.71472 1.14348 ++ {0.0} {i.ca} {53.N} 118.00116 0.30672 0.55343 ++ {0.0} {i.n} 0.0 0.2132 1 {} 0
162 {55.H} 7.96156 0.02429 0.04287 ++ {0.0} {i.h} {55.CA} 60.19361 0.69447 1.08112 ++ {0.0} {i.ca} {55.N} 117.67205 0.30258 0.53175 ++ {0.0} {i.n} 0.0 0.1720 1 {} 0
163 {55.H} 7.96355 0.02249 0.02794 ++ {0.0} {i.h} {54.CA} 56.40139 0.62270 0.76289 ++ {0.0} {i-1.ca} {55.N} 117.66265 0.30147 0.39411 ++ {0.0} {i.n} 0.0 0.0602 1 {} 0
164 {9.H} 8.18214 0.02756 0.03897 ++ {0.0} {i.h} {9.CA} 62.05883 0.65552 0.85958 ++ {0.0} {i.ca} {9.N} 117.32221 0.30053 0.42812 ++ {0.0} {i.n} 0.0 0.0725 1 {} 0
165 {41.H} 8.01102 0.02260 0.02914 ++ {0.0} {i.h} {41.CA} 60.43863 0.44597 1.29821 ++ {0.0} {i.ca} {41.N} 117.36113 0.33516 0.51002 ++ {0.0} {i.n} 0.0 0.0872 1 {} 0
166 {24.H} 7.62475 0.03000 0.04296 ++ {0.0} {i.h} {24.CA} 59.75837 0.71739 1.12953 ++ {0.0} {i.ca} {24.N} 117.34657 0.33531 0.55718 ++ {0.0} {i.n} 0.0 0.1233 1 {} 0
167 {} 7.99418 0.02320 0.04253 ++ {0.0} {} {} 59.52018 0.71030 1.18407 ++ {0.0} {} {} 117.32985 0.30358 0.55994 ++ {0.0} {} 0.0 0.2683 -1 {} 0
168 {24.H} 7.63039 0.01212 0.00788 ++ {0.0} {i.h} {} 58.55286 0.46769 0.34207 ++ {0.0} {i-1.ca} {24.N} 117.34885 0.30568 0.20185 ++ {0.0} {i.n} 0.0 0.0311 1 {} 0
169 {9.H} 8.17491 0.02483 0.02365 ++ {0.0} {i.h} {} 55.58244 0.60527 0.54983 ++ {0.0} {i-1.ca} {9.N} 117.33372 0.28490 0.25155 ++ {0.0} {i.n} 0.0 0.0374 1 {} 0
170 {41.H} 8.01239 0.02569 0.02484 ++ {0.0} {i.h} {40.CA} 54.29494 0.63309 0.60607 ++ {0.0} {i-1.ca} {41.N} 117.34923 0.30331 0.28502 ++ {0.0} {i.n} 0.0 0.0394 1 {} 0
171 {25.H} 8.34089 0.02494 0.04785 ++ {0.0} {i.h} {25.CA} 53.20010 0.67970 1.12137 ++ {0.0} {i.ca} {25.N} 116.66375 0.29597 0.54373 ++ {0.0} {i.n} 0.0 0.2562 1 {} 0
172 {14.H} 7.76423 0.01976 0.02636 ++ {0.0} {i.h} {13.CA} 61.29165 0.64194 0.78669 ++ {0.0} {i-1.ca} {14.N} 115.99786 0.30428 0.40497 ++ {0.0} {i.n} 0.0 0.0624 1 {} 0
173 {31.H} 8.33028 0.02129 0.02701 ++ {0.0} {i.h} {30.CA} 60.26344 0.52360 0.74800 ++ {0.0} {i-1.ca} {31.N} 115.99156 0.27891 0.37891 ++ {0.0} {i.n} 0.0 0.0650 1 {} 0
174 {31.H} 8.32921 0.02235 0.04332 ++ {0.0} {i.h} {31.CA} 59.22284 0.69890 1.13447 ++ {0.0} {i.ca} {31.N} 115.99454 0.28945 0.53642 ++ {0.0} {i.n} 0.0 0.2842 1 {} 0
175 {14.H} 7.76514 0.02347 0.04555 ++ {0.0} {i.h} {14.CA} 59.21558 0.69209 1.11669 ++ {0.0} {i.ca} {14.N} 115.99638 0.29936 0.52921 ++ {0.0} {i.n} 0.0 0.1797 1 {} 0
176 {27.H} 7.99348 0.02991 0.04402 ++ {0.0} {i.h} {27.CA} 56.76006 0.69262 1.05274 ++ {0.0} {i.ca} {27.N} 114.97211 0.32172 0.54856 ++ {0.0} {i.n} 0.0 0.1415 1 {} 0
177 {27.H} 7.99433 0.02184 0.01221 ++ {0.0} {i.h} {26.CA} 54.64932 0.62063 0.34443 ++ {0.0} {i-1.ca} {27.N} 114.93256 0.29092 0.13070 ++ {0.0} {i.n} 0.0 0.0269 1 {} 0
178 {11.H} 9.19435 0.02704 0.03530 ++ {0.0} {i.h} {11.CA} 61.05744 0.73663 0.99538 ++ {0.0} {i.ca} {11.N} 114.56463 0.34363 0.50204 ++ {0.0} {i.n} 0.0 0.0774 1 {} 0
179 {11.H} 9.19125 0.02090 0.02571 ++ {0.0} {i.h} {10.CA} 56.79490 0.61847 0.71977 ++ {0.0} {i-1.ca} {11.N} 114.62818 0.30217 0.36299 ++ {0.0} {i.n} 0.0 0.0522 1 {} 0
180 {23.H} 7.93752 0.02191 0.02650 ++ {0.0} {i.h} {22.CA} 60.75807 0.60938 0.70083 ++ {0.0} {i-1.ca} {23.N} 114.31136 0.28089 0.33326 ++ {0.0} {i.n} 0.0 0.0513 1 {} 0
181 {23.H} 7.93615 0.02080 0.04324 ++ {0.0} {i.h} {23.CA} 58.78426 0.72616 1.17161 ++ {0.0} {i.ca} {23.N} 114.32233 0.29346 0.53185 ++ {0.0} {i.n} 0.0 0.2224 1 {} 0
182 {38.H} 8.01821 0.01942 0.03292 ++ {0.0} {i.h} {38.CA} 58.36203 0.67651 0.99999 ++ {0.0} {i.ca} {38.N} 114.26987 0.33981 0.56180 ++ {0.0} {i.n} 0.0 0.1203 1 {} 0
183 {38.H} 8.01607 0.01765 0.01556 ++ {0.0} {i.h} {37.CA} 56.64039 0.92152 0.83955 ++ {0.0} {i-1.ca} {38.N} 114.08195 0.32817 0.26792 ++ {0.0} {i.n} 0.0 0.0353 1 {} 0
184 {15.H} 8.52405 0.02179 0.02892 ++ {0.0} {i.h} {15.CA} 67.52268 0.73252 0.85146 ++ {0.0} {i.ca} {15.N} 113.62136 0.34798 0.48170 ++ {0.0} {i.n} 0.0 0.0678 1 {} 0
185 {15.H} 8.52747 0.02153 0.02669 ++ {0.0} {i.h} {14.CA} 59.21839 0.69363 0.81995 ++ {0.0} {i-1.ca} {15.N} 113.61841 0.29964 0.37269 ++ {0.0} {i.n} 0.0 0.0552 1 {} 0
186 {40.H} 8.39835 0.02710 0.04548 ++ {0.0} {i.h} {40.CA} 54.29664 0.84178 1.22827 ++ {0.0} {i.ca} {40.N} 112.99282 0.32364 0.55290 ++ {0.0} {i.n} 0.0 0.1431 1 {} 0
187 {29.H} 7.64645 0.02717 0.04094 ++ {0.0} {i.h} {29.CA} 60.31009 0.67166 0.97677 ++ {0.0} {i.ca} {29.N} 111.70975 0.33757 0.54354 ++ {0.0} {i.n} 0.0 0.1070 1 {} 0
188 {29.H} 7.63808 0.01671 0.01772 ++ {0.0} {i.h} {28.CA} 53.38678 0.57207 0.60450 ++ {0.0} {i-1.ca} {29.N} 111.71609 0.32898 0.35109 ++ {0.0} {i.n} 0.0 0.0447 1 {} 0
189 {6.H} 8.46857 0.02766 0.00159 ++ {0.0} {i.h} {5.CA} 56.34809 0.90428 0.21820 ++ {0.0} {i-1.ca} {6.N} 110.35239 0.34042 0.02898 ++ {0.0} {i.n} 0.0 0.0218 1 {} 0
190 {43.H} 8.76556 0.02932 0.04671 ++ {0.0} {i.h} {43.CA} 60.45576 0.65324 0.99825 ++ {0.0} {i.ca} {43.N} 109.33547 0.31953 0.53776 ++ {0.0} {i.n} 0.0 0.1316 1 {} 0
191 {43.H} 8.76812 0.02032 0.02104 ++ {0.0} {i.h} {42.CA} 52.79237 0.72390 0.75220 ++ {0.0} {i-1.ca} {43.N} 109.34158 0.35139 0.37100 ++ {0.0} {i.n} 0.0 0.0442 1 {} 0
192 {7.H} 8.29138 0.02587 0.03980 ++ {0.0} {i.h} {6.CA} 45.17774 0.64526 0.92851 ++ {0.0} {i-1.ca} {7.N} 120.71973 0.32828 0.52253 ++ {0.0} {i.n} 0.0 0.1022 1 {} 0
193 {6.H} 8.46696 0.02979 0.05693 ++ {0.0} {i.h} {6.CA} 45.14993 0.67450 1.02407 ++ {0.0} {i.ca} {6.N} 110.36662 0.33807 0.57183 ++ {0.0} {i.n} 0.0 0.1352 1 {} 0
194 {} 9.31346 0.02404 0.02510 ++ {0.0} {} {} 40.56175 0.75896 0.78330 ++ {0.0} {} {} 109.94273 0.30302 0.31749 ++ {0.0} {} 0.0 0.0438 1 {} 0
195 {47.H} 8.02542 0.00659 0.01238 ++ {0.0} {i.h} {46.CB} 29.56952 0.78287 0.71535 ++ {0.0} {i-1.cb} {47.N} 120.62469 0.30590 0.26192 ++ {0.0} {i.n} 0.0 -0.0188 1 {} 0
196 {34.H} 7.98130 0.02251 0.03692 ++ {0.0} {i.h} {33.CB} 30.43285 0.68238 1.06322 ++ {0.0} {i-1.cb} {34.N} 118.28173 0.30719 0.50493 ++ {0.0} {i.n} 0.0 -0.0603 1 {} 0
197 {25.H} 8.34170 0.02235 0.04897 ++ {0.0} {i.h} {24.CA} 59.73500 0.69890 1.15823 ++ {0.0} {i-1.ca} {25.N} 116.70710 0.28945 0.55704 ++ {0.0} {i.n} 0.0 0.2842 1 {} 0
198 {} 7.52365 0.01465 0.01672 ++ {0.0} {} {} 33.68850 0.55854 0.65829 ++ {0.0} {} {} 112.33478 0.31886 0.39647 ++ {0.0} {} 0.0 0.0284 1 {} 0
199 {} 6.88785 0.01577 0.01688 ++ {0.0} {} {} 37.77253 0.54095 0.59892 ++ {0.0} {} {} 111.62955 0.29010 0.32692 ++ {0.0} {} 0.0 0.0157 1 {} 0
200 {} 7.54652 0.00989 0.01809 ++ {0.0} {} {} 33.86642 0.60943 0.89531 ++ {0.0} {} {} 110.67185 0.31564 0.50162 ++ {0.0} {} 0.0 0.0335 1 {} 0
201 {} 7.54464 0.01300 0.01736 ++ {0.0} {} {} 28.51580 0.62577 0.84026 ++ {0.0} {} {} 110.65903 0.27499 0.36771 ++ {0.0} {} 0.0 -0.0207 1 {} 0
202 {12.H} 9.09427 0.00776 0.01065 ++ {0.0} {i.h} {} 71.20992 0.68558 0.44111 ++ {0.0} {i.cb} {12.N} 123.34433 0.29506 0.16069 ++ {0.0} {i.n} 0.0 -0.0094 1 {} 0
203 {21.H} 7.89927 0.02563 0.03973 ++ {0.0} {i.h} {21.CB} 28.92255 0.81208 1.23467 ++ {0.0} {i.cb} {21.N} 120.00302 0.29499 0.49620 ++ {0.0} {i.n} 0.0 -0.1050 0 {} 0
204 {44.H} 9.13926 0.02293 0.03842 ++ {0.0} {i.h} {44.CA} 61.34364 0.77361 1.11605 ++ {0.0} {i.ca} {44.N} 120.58894 0.34517 0.56955 ++ {0.0} {i.n} 0.0 0.0610 0 {} 0
205 {35.H} 7.78025 0.02457 0.03853 ++ {0.0} {i.h} {} 65.48508 0.66961 1.00844 ++ {0.0} {i.ca} {35.N} 120.34270 0.28490 0.47414 ++ {0.0} {i.n} 0.0 0.0636 0 {} 0
206 {35.H} 7.77995 0.02023 0.03077 ++ {0.0} {i.h} {34.CB} 38.36562 0.70103 0.99207 ++ {0.0} {i-1.cb} {35.N} 120.34233 0.28804 0.45550 ++ {0.0} {i.n} 0.0 -0.0510 0 {} 0
207 {6.H} 8.46669 0.00560 0.00880 ++ {0.0} {i.h} {} 31.28820 0.69967 0.54019 ++ {0.0} {i-1.cb} {6.N} 110.59733 0.32330 0.23062 ++ {0.0} {i.n} 0.0 -0.0166 0 {} 0
208 {46.H} 7.99418 0.02320 0.03523 ++ {0.0} {i.h} {46.CA} 59.52018 0.71030 1.05007 ++ {0.0} {i.ca} {46.N} 117.32985 0.30358 0.49128 ++ {0.0} {i.n} 0.0 0.2683 0 {} 0
209 {46.H} 7.99609 0.02565 0.02945 ++ {0.0} {i.h} {46.CB} 29.48590 0.89239 1.03520 ++ {0.0} {i.cb} {46.N} 117.33330 0.30194 0.36546 ++ {0.0} {i.n} 0.0 -0.1297 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 . . . 4.774 . . 31057 7
2 . . C 13 C-aliphatic . 'not observed' 10500 Hz . . . 46.000 . . 31057 7
3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 7
stop_
save_