Content for NMR-STAR saveframe, "spectral_peak_list_14"
save_spectral_peak_list_14
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_14
_Spectral_peak_list.Entry_ID 31056
_Spectral_peak_list.ID 14
_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 CBCA(CO)NH'
_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_CBCACONH.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 {62.H} 7.68093 0.02723 0.04935 ++ {0.0} {i.h} {} 56.76175 0.68358 1.21128 ++ {0.0} {i-1.ca} {62.N} 125.29711 0.31303 0.62339 ++ {0.0} {i.n} 0.0 2.5240 1 {} 0
1 {62.H} 7.68077 0.02758 0.04925 ++ {0.0} {i.h} {61.CB} 30.39264 0.68952 1.21296 ++ {0.0} {i-1.cb} {62.N} 125.29755 0.31569 0.62586 ++ {0.0} {i.n} 0.0 1.2292 1 {} 0
2 {18.H} 8.22632 0.02681 0.06699 ++ {0.0} {i.h} {17.CA} 58.70741 0.63376 1.17942 ++ {0.0} {i-1.ca} {18.N} 123.89539 0.30969 0.61039 ++ {0.0} {i.n} 0.0 0.7400 1 {} 0
3 {18.H} 8.22649 0.02700 0.05529 ++ {0.0} {i.h} {17.CB} 30.19442 0.66508 1.13671 ++ {0.0} {i-1.cb} {18.N} 123.89233 0.30397 0.58412 ++ {0.0} {i.n} 0.0 0.2739 1 {} 0
4 {54.H} 8.16281 0.02642 0.07784 ++ {0.0} {i.h} {53.CA} 55.64824 0.67516 1.17484 ++ {0.0} {i-1.ca} {54.N} 123.16121 0.33923 0.66233 ++ {0.0} {i.n} 0.0 0.4514 1 {} 0
5 {54.H} 8.16214 0.02573 0.06678 ++ {0.0} {i.h} {53.CB} 37.84847 0.67057 1.17795 ++ {0.0} {i-1.cb} {54.N} 123.16317 0.33166 0.64323 ++ {0.0} {i.n} 0.0 0.3546 1 {} 0
6 {30.H} 8.84914 0.02843 0.06057 ++ {0.0} {i.h} {29.CA} 60.42730 0.67184 1.06939 ++ {0.0} {i-1.ca} {30.N} 122.82985 0.32560 0.59775 ++ {0.0} {i.n} 0.0 0.3194 1 {} 0
7 {30.H} 8.84917 0.02692 0.04492 ++ {0.0} {i.h} {29.CB} 70.93417 0.68225 1.01311 ++ {0.0} {i-1.cb} {30.N} 122.83297 0.33281 0.54648 ++ {0.0} {i.n} 0.0 0.1465 1 {} 0
8 {8.H} 8.56246 0.03262 0.06138 ++ {0.0} {i.h} {7.CA} 56.12030 0.62691 0.99090 ++ {0.0} {i-1.ca} {8.N} 122.49616 0.30675 0.53024 ++ {0.0} {i.n} 0.0 0.7369 1 {} 0
9 {8.H} 8.56210 0.03208 0.05149 ++ {0.0} {i.h} {7.CB} 31.11685 0.60147 0.87330 ++ {0.0} {i-1.cb} {8.N} 122.49849 0.30394 0.47629 ++ {0.0} {i.n} 0.0 0.4620 1 {} 0
10 {61.H} 8.32464 0.02535 0.04787 ++ {0.0} {i.h} {60.CA} 56.43789 0.67308 1.11990 ++ {0.0} {i-1.ca} {61.N} 122.49886 0.30633 0.57754 ++ {0.0} {i.n} 0.0 1.7444 1 {} 0
11 {61.H} 8.32441 0.02440 0.04315 ++ {0.0} {i.h} {60.CB} 33.10871 0.67177 1.05571 ++ {0.0} {i-1.cb} {61.N} 122.49757 0.30332 0.54486 ++ {0.0} {i.n} 0.0 0.9819 1 {} 0
12 {48.H} 8.59529 0.02639 0.06633 ++ {0.0} {i.h} {47.CA} 65.13717 0.63832 1.15144 ++ {0.0} {i-1.ca} {48.N} 121.76971 0.33037 0.64026 ++ {0.0} {i.n} 0.0 0.4329 1 {} 0
13 {48.H} 8.59430 0.02854 0.04723 ++ {0.0} {i.h} {47.CB} 37.16730 0.72914 1.13014 ++ {0.0} {i-1.cb} {48.N} 121.77360 0.34604 0.61293 ++ {0.0} {i.n} 0.0 0.1174 1 {} 0
14 {60.H} 8.11888 0.02604 0.05637 ++ {0.0} {i.h} {59.CA} 56.82203 0.63019 1.18894 ++ {0.0} {i-1.ca} {60.N} 121.12315 0.34427 0.67872 ++ {0.0} {i.n} 0.0 0.9398 1 {} 0
15 {60.H} 8.11851 0.02528 0.05458 ++ {0.0} {i.h} {59.CB} 33.01369 0.59226 1.13322 ++ {0.0} {i-1.cb} {60.N} 121.12189 0.33898 0.66108 ++ {0.0} {i.n} 0.0 0.5387 1 {} 0
16 {16.H} 8.23467 0.02470 0.04883 ++ {0.0} {i.h} {15.CA} 67.54688 0.55689 0.93769 ++ {0.0} {i-1.ca} {16.N} 121.09808 0.29185 0.53879 ++ {0.0} {i.n} 0.0 0.4260 1 {} 0
17 {16.H} 8.23477 0.02365 0.04133 ++ {0.0} {i.h} {} 68.75199 0.56151 0.88354 ++ {0.0} {i-1.cb} {16.N} 121.09597 0.29402 0.49900 ++ {0.0} {i.n} 0.0 0.2164 1 {} 0
18 {39.H} 8.25512 0.02451 0.06227 ++ {0.0} {i.h} {38.CA} 58.31514 0.63311 1.11689 ++ {0.0} {i-1.ca} {39.N} 121.08894 0.32327 0.61310 ++ {0.0} {i.n} 0.0 0.6335 1 {} 0
19 {39.H} 8.25500 0.02340 0.04786 ++ {0.0} {i.h} {38.CB} 29.14556 0.67902 1.10655 ++ {0.0} {i-1.cb} {39.N} 121.08825 0.31514 0.57589 ++ {0.0} {i.n} 0.0 0.3798 1 {} 0
20 {47.H} 7.99906 0.02365 0.04097 ++ {0.0} {i.h} {46.CB} 29.51539 0.64639 0.95265 ++ {0.0} {i-1.cb} {47.N} 120.76698 0.35513 0.58424 ++ {0.0} {i.n} 0.0 0.1847 1 {} 0
21 {47.H} 7.99907 0.02535 0.05543 ++ {0.0} {i.h} {46.CA} 59.50898 0.63238 1.08387 ++ {0.0} {i-1.ca} {47.N} 120.77546 0.35948 0.66249 ++ {0.0} {i.n} 0.0 0.4173 1 {} 0
22 {7.H} 8.29684 0.02876 0.13460 ++ {0.0} {i.h} {6.CA} 45.15411 0.69311 1.21887 ++ {0.0} {i-1.ca} {7.N} 120.75285 0.31134 0.61349 ++ {0.0} {i.n} 0.0 1.7763 1 {} 0
23 {10.H} 8.18106 0.03083 0.10646 ++ {0.0} {i.h} {9.CA} 62.04554 0.65856 1.12439 ++ {0.0} {i-1.ca} {10.N} 120.74808 0.29702 0.57611 ++ {0.0} {i.n} 0.0 0.8682 1 {} 0
24 {10.H} 8.17992 0.03105 0.06374 ++ {0.0} {i.h} {9.CB} 70.17822 0.68076 1.14276 ++ {0.0} {i-1.cb} {10.N} 120.74853 0.29936 0.55804 ++ {0.0} {i.n} 0.0 0.3859 1 {} 0
25 {33.H} 8.46157 0.02611 0.10665 ++ {0.0} {i.h} {32.CA} 56.97127 0.63862 1.12816 ++ {0.0} {i-1.ca} {33.N} 120.38892 0.31256 0.59776 ++ {0.0} {i.n} 0.0 0.5989 1 {} 0
26 {33.H} 8.46181 0.02503 0.04571 ++ {0.0} {i.h} {} 29.64477 0.66273 1.02192 ++ {0.0} {i-1.cb} {33.N} 120.39213 0.31330 0.54560 ++ {0.0} {i.n} 0.0 0.2028 1 {} 0
27 {20.H} 7.94362 0.02744 0.05184 ++ {0.0} {i.h} {19.CA} 59.27688 0.62631 1.08216 ++ {0.0} {i-1.ca} {20.N} 120.37650 0.33645 0.62947 ++ {0.0} {i.n} 0.0 0.4062 1 {} 0
28 {20.H} 7.94339 0.02815 0.04707 ++ {0.0} {i.h} {} 29.30193 0.67761 1.02108 ++ {0.0} {i-1.cb} {20.N} 120.37273 0.33270 0.56659 ++ {0.0} {i.n} 0.0 0.1765 1 {} 0
29 {59.H} 7.88698 0.03241 0.07703 ++ {0.0} {i.h} {58.CA} 56.03436 0.70895 1.16820 ++ {0.0} {i-1.ca} {59.N} 119.99223 0.35527 0.67285 ++ {0.0} {i.n} 0.0 0.4942 1 {} 0
30 {59.H} 7.88794 0.03137 0.06165 ++ {0.0} {i.h} {58.CB} 42.27183 0.61167 1.04435 ++ {0.0} {i-1.cb} {59.N} 120.00067 0.34204 0.61857 ++ {0.0} {i.n} 0.0 0.2737 1 {} 0
31 {49.H} 8.70020 0.03242 0.06165 ++ {0.0} {i.h} {48.CB} 33.34796 0.61815 0.99676 ++ {0.0} {i-1.cb} {49.N} 119.70085 0.28831 0.52796 ++ {0.0} {i.n} 0.0 0.3106 1 {} 0
32 {32.H} 7.74387 0.03159 0.05517 ++ {0.0} {i.h} {31.CB} 29.89534 0.60664 0.95134 ++ {0.0} {i-1.cb} {32.N} 119.41736 0.34702 0.56357 ++ {0.0} {i.n} 0.0 0.1394 1 {} 0
33 {32.H} 7.74636 0.03283 0.08121 ++ {0.0} {i.h} {31.CA} 59.34667 0.63954 1.05231 ++ {0.0} {i-1.ca} {32.N} 119.41032 0.35664 0.65471 ++ {0.0} {i.n} 0.0 0.3193 1 {} 0
34 {25.H} 8.48519 0.03143 0.06009 ++ {0.0} {i.h} {24.CB} 69.36588 0.66067 1.03355 ++ {0.0} {i-1.cb} {25.N} 119.35379 0.29198 0.51707 ++ {0.0} {i.n} 0.0 0.2289 1 {} 0
35 {25.H} 8.48411 0.03764 0.06675 ++ {0.0} {i.h} {24.CA} 64.95414 0.61706 1.09800 ++ {0.0} {i-1.ca} {25.N} 119.35507 0.29622 0.55930 ++ {0.0} {i.n} 0.0 0.4688 1 {} 0
36 {51.H} 8.94796 0.03778 0.07232 ++ {0.0} {i.h} {50.CA} 63.29713 0.66346 1.08760 ++ {0.0} {i-1.ca} {51.N} 119.33737 0.32752 0.59776 ++ {0.0} {i.n} 0.0 0.2998 1 {} 0
37 {51.H} 8.95302 0.03138 0.04845 ++ {0.0} {i.h} {50.CB} 29.25197 0.67180 0.92857 ++ {0.0} {i-1.cb} {51.N} 119.33459 0.31353 0.48465 ++ {0.0} {i.n} 0.0 0.1154 1 {} 0
38 {49.H} 8.69982 0.03076 0.10869 ++ {0.0} {i.h} {48.CA} 60.26096 0.63846 1.10435 ++ {0.0} {i-1.ca} {49.N} 119.69762 0.29387 0.56030 ++ {0.0} {i.n} 0.0 0.5617 1 {} 0
39 {36.H} 8.71838 0.03695 0.06246 ++ {0.0} {i.h} {35.CB} 30.23252 0.64723 1.06262 ++ {0.0} {i-1.cb} {36.N} 118.99973 0.28432 0.51629 ++ {0.0} {i.n} 0.0 0.2847 1 {} 0
40 {36.H} 8.71823 0.03672 0.06448 ++ {0.0} {i.h} {35.CA} 59.58758 0.62109 1.02826 ++ {0.0} {i-1.ca} {36.N} 118.99810 0.29210 0.53416 ++ {0.0} {i.n} 0.0 0.5978 1 {} 0
41 {34.H} 8.09941 0.03932 0.06556 ++ {0.0} {i.h} {33.CA} 60.82791 0.66851 1.05052 ++ {0.0} {i-1.ca} {34.N} 118.99156 0.30596 0.54513 ++ {0.0} {i.n} 0.0 0.4691 1 {} 0
42 {34.H} 8.09932 0.03729 0.04635 ++ {0.0} {i.h} {} 30.50703 0.65803 0.83642 ++ {0.0} {i-1.cb} {34.N} 118.99177 0.30685 0.42979 ++ {0.0} {i.n} 0.0 0.1709 1 {} 0
43 {45.H} 8.32018 0.03321 0.05266 ++ {0.0} {i.h} {44.CA} 61.35813 0.60537 0.90716 ++ {0.0} {i-1.ca} {45.N} 118.65073 0.28466 0.47691 ++ {0.0} {i.n} 0.0 0.6160 1 {} 0
44 {45.H} 8.32075 0.03596 0.04399 ++ {0.0} {i.h} {44.CB} 30.05891 0.66623 0.80187 ++ {0.0} {i-1.cb} {45.N} 118.65224 0.28985 0.37871 ++ {0.0} {i.n} 0.0 0.2884 1 {} 0
45 {17.H} 7.70496 0.03508 0.05627 ++ {0.0} {i.h} {16.CA} 58.37970 0.63932 0.94339 ++ {0.0} {i-1.ca} {17.N} 118.64596 0.29889 0.49612 ++ {0.0} {i.n} 0.0 0.5880 1 {} 0
46 {17.H} 7.70332 0.03696 0.04754 ++ {0.0} {i.h} {16.CB} 41.82077 0.64467 0.81853 ++ {0.0} {i-1.cb} {17.N} 118.64487 0.29497 0.40538 ++ {0.0} {i.n} 0.0 0.3196 1 {} 0
47 {13.H} 8.40025 0.03583 0.05200 ++ {0.0} {i.h} {12.CA} 59.87167 0.66559 0.93940 ++ {0.0} {i-1.ca} {13.N} 118.28911 0.31704 0.49897 ++ {0.0} {i.n} 0.0 0.4693 1 {} 0
48 {13.H} 8.40042 0.03332 0.03458 ++ {0.0} {i.h} {12.CB} 29.56499 0.67327 0.69955 ++ {0.0} {i-1.cb} {13.N} 118.28804 0.30981 0.32804 ++ {0.0} {i.n} 0.0 0.2125 1 {} 0
49 {57.H} 7.35915 0.03360 0.05450 ++ {0.0} {i.h} {56.CA} 57.68352 0.65870 1.00173 ++ {0.0} {i-1.ca} {57.N} 118.29287 0.30618 0.52404 ++ {0.0} {i.n} 0.0 0.6933 1 {} 0
50 {57.H} 7.35863 0.03484 0.03547 ++ {0.0} {i.h} {56.CB} 32.28360 0.63797 0.64986 ++ {0.0} {i-1.cb} {57.N} 118.29441 0.30745 0.31605 ++ {0.0} {i.n} 0.0 0.2058 1 {} 0
51 {46.H} 8.05879 0.02881 0.05187 ++ {0.0} {i.h} {45.CA} 59.60753 0.66059 0.99690 ++ {0.0} {i-1.ca} {46.N} 117.59855 0.30277 0.51937 ++ {0.0} {i.n} 0.0 0.7028 1 {} 0
52 {46.H} 8.05813 0.02442 0.03160 ++ {0.0} {i.h} {45.CB} 30.06364 0.64136 0.77328 ++ {0.0} {i-1.cb} {46.N} 117.59576 0.29555 0.38649 ++ {0.0} {i.n} 0.0 0.2889 1 {} 0
53 {55.H} 7.94458 0.02691 0.05556 ++ {0.0} {i.h} {} 56.44046 0.70337 1.17451 ++ {0.0} {i-1.ca} {55.N} 117.58427 0.33607 0.63577 ++ {0.0} {i.n} 0.0 0.3876 1 {} 0
54 {55.H} 7.94535 0.02439 0.04165 ++ {0.0} {i.h} {} 28.36595 0.65908 1.02179 ++ {0.0} {i-1.cb} {55.N} 117.58672 0.32907 0.54969 ++ {0.0} {i.n} 0.0 0.1273 1 {} 0
55 {9.H} 8.17577 0.03788 0.09609 ++ {0.0} {i.h} {8.CB} 29.56797 0.69127 1.12233 ++ {0.0} {i-1.cb} {9.N} 117.26965 0.33457 0.61493 ++ {0.0} {i.n} 0.0 0.2588 1 {} 0
56 {9.H} 8.17536 0.03468 0.12453 ++ {0.0} {i.h} {8.CA} 55.68634 0.65349 1.12536 ++ {0.0} {i-1.ca} {9.N} 117.26752 0.34040 0.65338 ++ {0.0} {i.n} 0.0 0.4541 1 {} 0
57 {41.H} 7.96419 0.02796 0.06475 ++ {0.0} {i.h} {40.CB} 42.72851 0.66541 1.08903 ++ {0.0} {i-1.cb} {41.N} 117.25127 0.30285 0.57241 ++ {0.0} {i.n} 0.0 0.3817 1 {} 0
58 {41.H} 7.96407 0.02853 0.11027 ++ {0.0} {i.h} {40.CA} 54.41722 0.67308 1.15449 ++ {0.0} {i-1.ca} {41.N} 117.25384 0.30147 0.58477 ++ {0.0} {i.n} 0.0 0.6959 1 {} 0
59 {31.H} 8.34454 0.02443 0.05459 ++ {0.0} {i.h} {30.CA} 60.25477 0.68395 1.17048 ++ {0.0} {i-1.ca} {31.N} 116.19636 0.30608 0.59404 ++ {0.0} {i.n} 0.0 0.7088 1 {} 0
60 {31.H} 8.34424 0.02461 0.04508 ++ {0.0} {i.h} {30.CB} 29.36940 0.65122 1.09925 ++ {0.0} {i-1.cb} {31.N} 116.19603 0.29914 0.55428 ++ {0.0} {i.n} 0.0 0.2851 1 {} 0
61 {14.H} 7.72139 0.02719 0.06722 ++ {0.0} {i.h} {13.CA} 61.47021 0.64811 1.13685 ++ {0.0} {i-1.ca} {14.N} 115.86285 0.32331 0.62093 ++ {0.0} {i.n} 0.0 0.5281 1 {} 0
62 {14.H} 7.71985 0.02509 0.05293 ++ {0.0} {i.h} {13.CB} 38.75338 0.64589 1.07832 ++ {0.0} {i-1.cb} {14.N} 115.86400 0.32583 0.59555 ++ {0.0} {i.n} 0.0 0.2435 1 {} 0
63 {11.H} 9.21107 0.02844 0.06059 ++ {0.0} {i.h} {10.CA} 56.82168 0.62637 1.13798 ++ {0.0} {i-1.ca} {11.N} 114.46474 0.32525 0.62549 ++ {0.0} {i.n} 0.0 0.5457 1 {} 0
64 {11.H} 9.21036 0.02914 0.05419 ++ {0.0} {i.h} {10.CB} 40.21569 0.61741 1.07804 ++ {0.0} {i-1.cb} {11.N} 114.46416 0.33194 0.61317 ++ {0.0} {i.n} 0.0 0.2745 1 {} 0
65 {24.H} 7.68715 0.02826 0.05597 ++ {0.0} {i.h} {23.CA} 58.87514 0.57118 1.11535 ++ {0.0} {i-1.ca} {24.N} 114.44672 0.29601 0.57597 ++ {0.0} {i.n} 0.0 0.7731 1 {} 0
66 {24.H} 7.68820 0.02863 0.05429 ++ {0.0} {i.h} {23.CB} 29.09056 0.67136 1.17931 ++ {0.0} {i-1.cb} {24.N} 114.45348 0.30235 0.57535 ++ {0.0} {i.n} 0.0 0.4321 1 {} 0
67 {15.H} 8.52886 0.02444 0.05401 ++ {0.0} {i.h} {14.CA} 59.32290 0.64884 1.11069 ++ {0.0} {i-1.ca} {15.N} 113.41187 0.31854 0.61681 ++ {0.0} {i.n} 0.0 0.6589 1 {} 0
68 {15.H} 8.52926 0.02561 0.04504 ++ {0.0} {i.h} {14.CB} 27.80341 0.69033 1.10955 ++ {0.0} {i-1.cb} {15.N} 113.41249 0.32302 0.58713 ++ {0.0} {i.n} 0.0 0.2300 1 {} 0
69 {40.H} 8.50247 0.02948 0.06325 ++ {0.0} {i.h} {39.CA} 55.10477 0.67099 1.16964 ++ {0.0} {i-1.ca} {40.N} 113.05993 0.31538 0.61248 ++ {0.0} {i.n} 0.0 0.7237 1 {} 0
70 {40.H} 8.50253 0.02975 0.05791 ++ {0.0} {i.h} {39.CB} 18.94834 0.68854 1.16559 ++ {0.0} {i-1.cb} {40.N} 113.06176 0.31594 0.59920 ++ {0.0} {i.n} 0.0 0.4056 1 {} 0
71 {29.H} 7.71914 0.02707 0.05282 ++ {0.0} {i.h} {28.CB} 44.39732 0.66074 1.08556 ++ {0.0} {i-1.cb} {29.N} 112.00565 0.30402 0.57265 ++ {0.0} {i.n} 0.0 0.3603 1 {} 0
72 {29.H} 7.71937 0.02739 0.05472 ++ {0.0} {i.h} {28.CA} 53.31592 0.68577 1.16913 ++ {0.0} {i-1.ca} {29.N} 112.00626 0.30451 0.59113 ++ {0.0} {i.n} 0.0 0.7138 1 {} 0
73 {6.H} 8.46993 0.03272 0.08900 ++ {0.0} {i.h} {5.CA} 56.25444 0.64690 1.12053 ++ {0.0} {i-1.ca} {6.N} 110.47755 0.34656 0.65759 ++ {0.0} {i.n} 0.0 0.4092 1 {} 0
74 {6.H} 8.46857 0.03037 0.06136 ++ {0.0} {i.h} {} 31.07229 0.64175 1.06186 ++ {0.0} {i-1.cb} {6.N} 110.50428 0.33782 0.61244 ++ {0.0} {i.n} 0.0 0.2242 1 {} 0
75 {43.H} 8.79411 0.03243 0.08874 ++ {0.0} {i.h} {42.CA} 52.60400 0.64105 1.16780 ++ {0.0} {i-1.ca} {43.N} 109.27191 0.36479 0.71620 ++ {0.0} {i.n} 0.0 0.2995 1 {} 0
76 {43.H} 8.79588 0.03086 0.07372 ++ {0.0} {i.h} {42.CB} 47.67956 0.65662 1.15692 ++ {0.0} {i-1.cb} {43.N} 109.26270 0.35412 0.68604 ++ {0.0} {i.n} 0.0 0.1753 1 {} 0
77 {37.H} 8.47592 0.02114 0.01416 ++ {0.0} {i.h} {36.CB} 33.53903 0.68905 0.41796 ++ {0.0} {i-1.cb} {37.N} 123.61717 0.34149 0.17791 ++ {0.0} {i.n} 0.0 0.1352 0 {} 0
78 {37.H} 8.47555 0.02695 0.03844 ++ {0.0} {i.h} {36.CA} 58.94648 0.70874 0.98100 ++ {0.0} {i-1.ca} {37.N} 123.61585 0.36008 0.56490 ++ {0.0} {i.n} 0.0 0.4639 0 {} 0
79 {3.H} 8.52303 0.03301 0.06411 ++ {0.0} {i.h} {} 62.03970 0.68372 1.02118 ++ {0.0} {i-1.ca} {3.N} 124.33337 0.34979 0.59886 ++ {0.0} {i.n} 0.0 0.3556 0 {} 0
80 {3.H} 8.52347 0.03244 0.04550 ++ {0.0} {i.h} {2.CB} 70.02425 0.65785 0.84841 ++ {0.0} {i-1.cb} {3.N} 124.33646 0.34055 0.46754 ++ {0.0} {i.n} 0.0 0.1633 0 {} 0
81 {5.H} 8.50504 0.02794 0.04159 ++ {0.0} {i.h} {4.CB} 30.91629 0.66427 0.91465 ++ {0.0} {i-1.cb} {5.N} 123.34872 0.34171 0.52990 ++ {0.0} {i.n} 0.0 0.4452 0 {} 0
82 {5.H} 8.50552 0.02833 0.06051 ++ {0.0} {i.h} {} 56.35354 0.62862 1.06110 ++ {0.0} {i-1.ca} {5.N} 123.44902 0.38574 0.69049 ++ {0.0} {i.n} 0.0 0.9525 0 {} 0
83 {50.H} 8.13082 0.03046 0.03448 ++ {0.0} {i.h} {49.CB} 38.19347 0.73243 0.84241 ++ {0.0} {i-1.cb} {50.N} 122.34055 0.34256 0.41931 ++ {0.0} {i.n} 0.0 0.0845 0 {} 0
84 {50.H} 8.13142 0.02938 0.05022 ++ {0.0} {i.h} {49.CA} 64.45306 0.66605 1.04329 ++ {0.0} {i-1.ca} {50.N} 122.33298 0.34304 0.60570 ++ {0.0} {i.n} 0.0 0.2797 0 {} 0
85 {28.H} 8.37745 0.03085 0.03439 ++ {0.0} {i.h} {27.CB} 41.02634 0.59195 0.67165 ++ {0.0} {i-1.cb} {28.N} 121.80224 0.29763 0.34465 ++ {0.0} {i.n} 0.0 0.2375 0 {} 0
86 {28.H} 8.37647 0.02826 0.04003 ++ {0.0} {i.h} {27.CA} 56.76053 0.64408 0.83135 ++ {0.0} {i-1.ca} {28.N} 121.80054 0.30421 0.44428 ++ {0.0} {i.n} 0.0 0.3707 0 {} 0
87 {22.H} 9.02689 0.02283 0.02542 ++ {0.0} {i.h} {21.CB} 29.29782 0.63219 0.68660 ++ {0.0} {i-1.cb} {22.N} 121.45042 0.29254 0.33038 ++ {0.0} {i.n} 0.0 0.2297 0 {} 0
88 {22.H} 9.02611 0.02511 0.04146 ++ {0.0} {i.h} {} 59.30411 0.66573 0.97435 ++ {0.0} {i-1.ca} {22.N} 121.45124 0.30569 0.50794 ++ {0.0} {i.n} 0.0 0.5911 0 {} 0
89 {21.H} 7.86980 0.02514 0.03707 ++ {0.0} {i.h} {20.CB} 32.58151 0.65528 0.92226 ++ {0.0} {i-1.cb} {21.N} 121.09505 0.30678 0.47260 ++ {0.0} {i.n} 0.0 0.4352 0 {} 0
90 {21.H} 7.87022 0.02513 0.04665 ++ {0.0} {i.h} {} 59.87286 0.65833 1.01611 ++ {0.0} {i-1.ca} {21.N} 121.09666 0.30132 0.53389 ++ {0.0} {i.n} 0.0 0.8767 0 {} 0
91 {44.H} 9.16716 0.02135 0.11123 ++ {0.0} {i.h} {43.CA} 60.54084 0.66263 1.14102 ++ {0.0} {i-1.ca} {44.N} 120.40516 0.32228 0.62284 ++ {0.0} {i.n} 0.0 0.3982 0 {} 0
92 {44.H} 9.16559 0.02282 0.05785 ++ {0.0} {i.h} {43.CB} 71.14198 0.66138 1.07286 ++ {0.0} {i-1.cb} {44.N} 120.40948 0.31214 0.57936 ++ {0.0} {i.n} 0.0 0.1865 0 {} 0
93 {35.H} 7.89620 0.02458 0.05165 ++ {0.0} {i.h} {34.CB} 38.26690 0.60682 1.02394 ++ {0.0} {i-1.cb} {35.N} 120.40196 0.29302 0.55136 ++ {0.0} {i.n} 0.0 0.2268 0 {} 0
94 {35.H} 7.89572 0.02513 0.11403 ++ {0.0} {i.h} {34.CA} 65.56113 0.66075 1.16539 ++ {0.0} {i-1.ca} {35.N} 120.40098 0.30864 0.60505 ++ {0.0} {i.n} 0.0 0.6772 0 {} 0
95 {58.H} 7.50313 0.03164 0.06208 ++ {0.0} {i.h} {57.CB} 32.54471 0.72283 1.15464 ++ {0.0} {i-1.cb} {58.N} 119.86086 0.35954 0.66448 ++ {0.0} {i.n} 0.0 0.1768 0 {} 0
96 {58.H} 7.50291 0.02986 0.06626 ++ {0.0} {i.h} {57.CA} 57.26320 0.68173 1.14696 ++ {0.0} {i-1.ca} {58.N} 119.81099 0.36112 0.69653 ++ {0.0} {i.n} 0.0 0.3772 0 {} 0
97 {42.H} 8.19510 0.03430 0.12430 ++ {0.0} {i.h} {41.CB} 24.87204 0.63298 1.17092 ++ {0.0} {i-1.cb} {42.N} 119.70262 0.30204 0.58975 ++ {0.0} {i.n} 0.0 0.5659 0 {} 0
98 {42.H} 8.19467 0.03584 0.10965 ++ {0.0} {i.h} {41.CA} 60.45408 0.58537 1.06954 ++ {0.0} {i-1.ca} {42.N} 119.70551 0.28980 0.56403 ++ {0.0} {i.n} 0.0 0.4997 0 {} 0
99 {26.H} 8.65972 0.03907 0.09988 ++ {0.0} {i.h} {25.CB} 40.94626 0.63608 1.06526 ++ {0.0} {i-1.cb} {26.N} 119.01344 0.32903 0.61848 ++ {0.0} {i.n} 0.0 0.2231 0 {} 0
100 {26.H} 8.66163 0.03994 0.09337 ++ {0.0} {i.h} {25.CA} 52.93430 0.62821 1.03953 ++ {0.0} {i-1.ca} {26.N} 119.01318 0.32253 0.60396 ++ {0.0} {i.n} 0.0 0.2106 0 {} 0
101 {52.H} 8.23437 0.03656 0.06411 ++ {0.0} {i.h} {51.CB} 39.81694 0.64498 1.10884 ++ {0.0} {i-1.cb} {52.N} 118.99974 0.28735 0.53482 ++ {0.0} {i.n} 0.0 0.1934 0 {} 0
102 {52.H} 8.23259 0.03838 0.11108 ++ {0.0} {i.h} {51.CA} 63.61249 0.56196 1.09405 ++ {0.0} {i-1.ca} {52.N} 118.99916 0.28942 0.55866 ++ {0.0} {i.n} 0.0 0.3851 0 {} 0
103 {53.H} 8.32658 0.03256 0.06423 ++ {0.0} {i.h} {} 28.49410 0.68522 1.16450 ++ {0.0} {i-1.cb} {53.N} 117.96043 0.33186 0.62346 ++ {0.0} {i.n} 0.0 0.2213 0 {} 0
104 {53.H} 8.32707 0.03166 0.07604 ++ {0.0} {i.h} {52.CA} 59.48083 0.57757 1.03848 ++ {0.0} {i-1.ca} {53.N} 117.96456 0.29849 0.58076 ++ {0.0} {i.n} 0.0 0.4943 0 {} 0
105 {56.H} 7.48834 0.03004 0.06335 ++ {0.0} {i.h} {55.CA} 60.12782 0.64917 1.13086 ++ {0.0} {i-1.ca} {56.N} 117.95974 0.31218 0.60619 ++ {0.0} {i.n} 0.0 0.4614 0 {} 0
106 {56.H} 7.49003 0.02546 0.05027 ++ {0.0} {i.h} {55.CB} 31.56997 0.61190 0.97103 ++ {0.0} {i-1.cb} {56.N} 117.96373 0.31800 0.55817 ++ {0.0} {i.n} 0.0 0.1097 0 {} 0
107 {27.H} 7.94125 0.03223 0.05941 ++ {0.0} {i.h} {26.CB} 28.96591 0.67878 1.14983 ++ {0.0} {i-1.cb} {27.N} 114.79338 0.30814 0.58093 ++ {0.0} {i.n} 0.0 0.2340 0 {} 0
108 {27.H} 7.94143 0.03329 0.06542 ++ {0.0} {i.h} {26.CA} 54.75718 0.62687 1.12852 ++ {0.0} {i-1.ca} {27.N} 114.79636 0.31433 0.60795 ++ {0.0} {i.n} 0.0 0.4074 0 {} 0
109 {38.H} 7.89175 0.02463 0.05475 ++ {0.0} {i.h} {37.CA} 56.36098 0.67281 1.15002 ++ {0.0} {i-1.ca} {38.N} 114.43645 0.33497 0.65391 ++ {0.0} {i.n} 0.0 0.7008 0 {} 0
110 {38.H} 7.89185 0.02447 0.05204 ++ {0.0} {i.h} {37.CB} 17.57727 0.67795 1.14754 ++ {0.0} {i-1.cb} {38.N} 114.43941 0.33733 0.64525 ++ {0.0} {i.n} 0.0 0.3795 0 {} 0
111 {23.H} 8.03566 0.02414 0.05413 ++ {0.0} {i.h} {22.CA} 60.77092 0.63286 1.15146 ++ {0.0} {i-1.ca} {23.N} 113.76057 0.31832 0.62269 ++ {0.0} {i.n} 0.0 0.6119 0 {} 0
112 {23.H} 8.03535 0.02175 0.04850 ++ {0.0} {i.h} {22.CB} 39.14715 0.62384 1.14071 ++ {0.0} {i-1.cb} {23.N} 113.76262 0.31475 0.59981 ++ {0.0} {i.n} 0.0 0.2847 0 {} 0
113 {19.H} 8.24433 0.02557 0.02444 ++ {0.0} {i.h} {18.CB} 37.66861 0.54217 0.52440 ++ {0.0} {i-1.cb} {19.N} 118.99101 0.29182 0.27928 ++ {0.0} {i.n} 0.0 0.1918 0 {} 0
114 {19.H} 8.23740 0.03137 0.04471 ++ {0.0} {i.h} {18.CA} 58.70202 0.59723 0.84190 ++ {0.0} {i-1.ca} {19.N} 118.99202 0.30572 0.46537 ++ {0.0} {i.n} 0.0 0.4186 0 {} 0
115 {12.H} 9.09174 0.03554 0.05256 ++ {0.0} {i.h} {11.ca} 61.07451 0.65163 0.81423 ++ {0.0} {i-1.ca} {12.N} 123.23470 0.33635 0.46357 ++ {0.0} {i.n} 0.0 0.1054 0 {} 0
116 {12.H} 9.09475 0.02859 0.02405 ++ {0.0} {i.h} {11.CB} 71.20847 0.62949 0.59323 ++ {0.0} {i-1.cb} {12.N} 123.21458 0.33346 0.30873 ++ {0.0} {i.n} 0.0 0.0610 0 {} 0
117 {4.H} 8.50504 0.02794 0.04159 ++ {0.0} {i.h} {3.CB} 30.91629 0.66427 0.91465 ++ {0.0} {i-1.cb} {4.N} 123.34872 0.34171 0.52990 ++ {0.0} {i.n} 0.0 0.4452 0 {} 0
118 {4.H} 8.50512 0.02833 0.06051 ++ {0.0} {i.h} {3.CA} 56.35354 0.62862 1.06110 ++ {0.0} {i-1.ca} {4.N} 123.44902 0.38574 0.69049 ++ {0.0} {i.n} 0.0 0.9525 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 14
2 . . C 13 C-aliphatic . 'not observed' 10500 Hz . . . 46.000 . . 31056 14
3 . . N 15 N . 'not observed' 1360 Hz . . . 119.001 . . 31056 14
stop_
save_