Content for NMR-STAR saveframe, "spectral_peak_list_6"
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 31057
_Spectral_peak_list.ID 6
_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 4
_Spectral_peak_list.Experiment_name '3D HNCA'
_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_hnca.nv
2580.9921875 4500.0 1300.01000977
599.664978027 150.792999268 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} 7.78947 0.02519 0.04557 ++ {0.0} {i.h} {62.ca} 56.85172 0.49952 0.91399 ++ {0.0} {i.ca} {62.N} 128.33946 0.32229 0.62650 ++ {0.0} {i.n} 0.0 0.8347 1 {} 0
1 {62.H} 7.78969 0.01614 0.01630 ++ {0.0} {i.h} {61.CA} 56.64896 0.39948 0.40315 ++ {0.0} {i-1.ca} {62.N} 128.36281 0.26545 0.26997 ++ {0.0} {i.n} 0.0 0.0476 1 {} 0
2 {37.H} 8.36439 0.02425 0.03628 ++ {0.0} {i.h} {36.CA} 64.70564 0.38392 0.56491 ++ {0.0} {i-1.ca} {37.N} 124.33887 0.29668 0.49386 ++ {0.0} {i.n} 0.0 0.1396 1 {} 0
3 {37.H} 8.36277 0.02199 0.04582 ++ {0.0} {i.h} {37.CA} 56.60492 0.43416 0.73637 ++ {0.0} {i.ca} {37.N} 124.34119 0.30206 0.57018 ++ {0.0} {i.n} 0.0 0.4169 1 {} 0
4 {5.H} 8.50028 0.02343 0.03538 ++ {0.0} {i.h} {5.CA} 56.24338 0.36840 0.46518 ++ {0.0} {i.ca} {5.N} 123.54734 0.31971 0.44351 ++ {0.0} {i.n} 0.0 0.0764 1 {} 0
5 {12.H} 9.09672 0.02081 0.01805 ++ {0.0} {i.h} {12.CA} 59.86904 0.24178 0.22379 ++ {0.0} {i.ca} {12.N} 123.35253 0.25334 0.22708 ++ {0.0} {i.n} 0.0 0.0424 1 {} 0
6 {18.H} 8.19059 0.02538 0.04746 ++ {0.0} {i.h} {18.CA} 58.42815 0.52202 0.89623 ++ {0.0} {i.ca} {18.N} 123.38997 0.34409 0.60665 ++ {0.0} {i.n} 0.0 0.1976 1 {} 0
7 {54.H} 8.15670 0.01880 0.04342 ++ {0.0} {i.h} {54.CA} 56.46635 0.36144 0.60793 ++ {0.0} {i.ca} {54.N} 123.01629 0.27121 0.51363 ++ {0.0} {i.n} 0.0 0.4413 1 {} 0
8 {54.H} 8.15477 0.01693 0.02964 ++ {0.0} {i.h} {53.CA} 55.70282 0.30174 0.41824 ++ {0.0} {i-1.ca} {54.N} 123.01934 0.25225 0.41340 ++ {0.0} {i.n} 0.0 0.1297 1 {} 0
9 {30.H} 8.85697 0.02885 0.05977 ++ {0.0} {i.h} {30.CA} 60.32447 0.41436 0.65700 ++ {0.0} {i.ca} {30.N} 122.67785 0.29266 0.52556 ++ {0.0} {i.n} 0.0 0.2293 1 {} 0
10 {8.H} 8.55799 0.04000 0.04404 ++ {0.0} {i.h} {8.CA} 55.79180 0.52593 0.58279 ++ {0.0} {i.ca} {8.N} 122.58234 0.35793 0.41450 ++ {0.0} {i.n} 0.0 0.0556 1 {} 0
11 {50.H} 8.15887 0.02223 0.03342 ++ {0.0} {i.h} {49.CA} 64.47957 0.34304 0.50006 ++ {0.0} {i-1.ca} {50.N} 122.34354 0.27711 0.46412 ++ {0.0} {i.n} 0.0 0.1440 1 {} 0
12 {50.H} 8.15441 0.02119 0.04934 ++ {0.0} {i.h} {50.CA} 63.36188 0.45319 0.74576 ++ {0.0} {i.ca} {50.N} 122.33523 0.31192 0.57390 ++ {0.0} {i.n} 0.0 0.2926 1 {} 0
13 {61.H} 8.24090 0.02560 0.05142 ++ {0.0} {i.h} {61.CA} 56.63513 0.41444 0.72511 ++ {0.0} {i.ca} {61.N} 122.00538 0.29481 0.57540 ++ {0.0} {i.n} 0.0 0.9714 1 {} 0
14 {48.H} 8.55891 0.02415 0.03688 ++ {0.0} {i.h} {47.CA} 64.13390 0.40553 0.58970 ++ {0.0} {i-1.ca} {48.N} 121.65612 0.32226 0.49820 ++ {0.0} {i.n} 0.0 0.1031 1 {} 0
15 {48.H} 8.55383 0.02303 0.05020 ++ {0.0} {i.h} {48.CA} 60.26054 0.42587 0.70645 ++ {0.0} {i.ca} {48.N} 121.65260 0.32552 0.60037 ++ {0.0} {i.n} 0.0 0.3009 1 {} 0
16 {39.H} 8.17935 0.02079 0.03513 ++ {0.0} {i.h} {38.CA} 58.48284 0.37321 0.57817 ++ {0.0} {i-1.ca} {39.N} 121.65309 0.27575 0.47903 ++ {0.0} {i.n} 0.0 0.1782 1 {} 0
17 {28.H} 8.41361 0.02365 0.04247 ++ {0.0} {i.h} {27.CA} 56.81475 0.36565 0.54696 ++ {0.0} {i-1.ca} {28.N} 121.68004 0.28576 0.47363 ++ {0.0} {i.n} 0.0 0.1367 1 {} 0
18 {39.H} 8.17886 0.02109 0.04887 ++ {0.0} {i.h} {39.CA} 55.19641 0.39119 0.70617 ++ {0.0} {i.ca} {39.N} 121.66956 0.28154 0.53870 ++ {0.0} {i.n} 0.0 0.5407 1 {} 0
19 {28.H} 8.40736 0.02243 0.04784 ++ {0.0} {i.h} {28.CA} 53.43250 0.41171 0.66232 ++ {0.0} {i.ca} {28.N} 121.68654 0.31244 0.56527 ++ {0.0} {i.n} 0.0 0.2455 1 {} 0
20 {22.H} 9.05085 0.02390 0.04187 ++ {0.0} {i.h} {22.CA} 60.74910 0.36198 0.60662 ++ {0.0} {i.ca} {22.N} 121.33989 0.27875 0.51707 ++ {0.0} {i.n} 0.0 0.3230 1 {} 0
21 {22.H} 9.05044 0.02363 0.03432 ++ {0.0} {i.h} {21.CA} 59.20269 0.36917 0.52655 ++ {0.0} {i-1.ca} {22.N} 121.33800 0.26312 0.43192 ++ {0.0} {i.n} 0.0 0.1306 1 {} 0
22 {} 8.16515 0.00696 0.00689 ++ {0.0} {} {} 56.22970 0.16705 0.16548 ++ {0.0} {} {} 121.34728 0.19044 0.18864 ++ {0.0} {} 0.0 0.0464 1 {} 0
23 {16.H} 8.22525 0.02252 0.03202 ++ {0.0} {i.h} {15.CA} 67.36751 0.48872 0.68923 ++ {0.0} {i-1.ca} {16.N} 120.99710 0.29193 0.43936 ++ {0.0} {i.n} 0.0 0.0946 1 {} 0
24 {16.H} 8.22648 0.02438 0.05032 ++ {0.0} {i.h} {16.CA} 58.34885 0.38779 0.68510 ++ {0.0} {i.ca} {16.N} 121.00924 0.29188 0.55587 ++ {0.0} {i.n} 0.0 0.4901 1 {} 0
25 {60.H} 8.08661 0.02628 0.05389 ++ {0.0} {i.h} {60.CA} 56.70730 0.55749 1.03834 ++ {0.0} {i.ca} {60.N} 121.00693 0.30473 0.57934 ++ {0.0} {i.n} 0.0 0.4738 1 {} 0
26 {36.H} 8.66649 0.02508 0.05226 ++ {0.0} {i.h} {36.CA} 64.71053 0.38723 0.65736 ++ {0.0} {i.ca} {36.N} 120.68046 0.30478 0.57178 ++ {0.0} {i.n} 0.0 0.3778 1 {} 0
27 {47.H} 8.02089 0.02396 0.05252 ++ {0.0} {i.h} {47.CA} 64.11716 0.44897 0.71470 ++ {0.0} {i.ca} {47.N} 120.63031 0.33113 0.59645 ++ {0.0} {i.n} 0.0 0.2357 1 {} 0
28 {10.H} 8.16699 0.02444 0.03742 ++ {0.0} {i.h} {9.CA} 62.01598 0.38305 0.53571 ++ {0.0} {i-1.ca} {10.N} 120.68037 0.30375 0.49068 ++ {0.0} {i.n} 0.0 0.1218 1 {} 0
29 {44.H} 9.13865 0.01453 0.02129 ++ {0.0} {i.h} {44.CA} 61.15563 0.22518 0.35622 ++ {0.0} {i.ca} {44.N} 120.64888 0.28858 0.44964 ++ {0.0} {i.n} 0.0 0.1060 1 {} 0
30 {44.H} 9.14337 0.02283 0.02933 ++ {0.0} {i.h} {43.CA} 60.44817 0.38082 0.50076 ++ {0.0} {i-1.ca} {44.N} 120.62310 0.32485 0.48649 ++ {0.0} {i.n} 0.0 0.0932 1 {} 0
31 {36.H} 8.66159 0.02591 0.03852 ++ {0.0} {i.h} {} 59.74075 0.43088 0.62802 ++ {0.0} {i-1.ca} {36.N} 120.68027 0.30804 0.50000 ++ {0.0} {i.n} 0.0 0.1243 1 {} 0
32 {47.H} 8.02252 0.01727 0.02290 ++ {0.0} {i.h} {46.CA} 59.50079 0.38351 0.51226 ++ {0.0} {i-1.ca} {47.N} 120.64373 0.31956 0.47623 ++ {0.0} {i.n} 0.0 0.0919 1 {} 0
33 {10.H} 8.16516 0.02672 0.05522 ++ {0.0} {i.h} {10.CA} 56.86408 0.38376 0.67037 ++ {0.0} {i.ca} {10.N} 120.68777 0.31044 0.59017 ++ {0.0} {i.n} 0.0 0.4735 1 {} 0
34 {7.H} 8.28945 0.01868 0.02668 ++ {0.0} {i.h} {7.CA} 56.13703 0.32721 0.44648 ++ {0.0} {i.ca} {7.N} 120.71058 0.31833 0.46894 ++ {0.0} {i.n} 0.0 0.0889 1 {} 0
35 {} 9.13941 0.01491 0.02112 ++ {0.0} {} {} 61.41305 0.31499 0.45265 ++ {0.0} {} {} 120.40696 0.30407 0.50318 ++ {0.0} {} 0.0 0.1357 1 {} 0
36 {} 9.13447 0.00837 0.02126 ++ {0.0} {} {} 60.57639 0.25611 0.35591 ++ {0.0} {} {} 120.35130 0.30323 0.45385 ++ {0.0} {} 0.0 0.0931 1 {} 0
37 {20.H} 7.77495 0.02473 0.05773 ++ {0.0} {i.h} {20.CA} 59.81864 0.47128 0.85319 ++ {0.0} {i.ca} {20.N} 120.34046 0.30239 0.58709 ++ {0.0} {i.n} 0.0 0.8005 1 {} 0
38 {} 7.48112 0.01000 0.01036 ++ {0.0} {} {} 56.80707 0.27523 0.27961 ++ {0.0} {} {} 120.38049 0.15792 0.16366 ++ {0.0} {} 0.0 0.0486 1 {} 0
39 {42.H} 8.27567 0.02051 0.03777 ++ {0.0} {i.h} {41.CA} 60.40031 0.34299 0.51077 ++ {0.0} {i-1.ca} {42.N} 120.00552 0.26015 0.40242 ++ {0.0} {i.n} 0.0 0.1033 1 {} 0
40 {21.H} 7.88623 0.01185 0.01693 ++ {0.0} {i.h} {20.CA} 59.90889 0.40392 0.57703 ++ {0.0} {i-1.ca} {21.N} 119.99525 0.27248 0.36991 ++ {0.0} {i.n} 0.0 0.0729 1 {} 0
41 {21.H} 7.89239 0.02746 0.05325 ++ {0.0} {i.h} {21.CA} 59.17108 0.47735 0.74892 ++ {0.0} {i.ca} {21.N} 119.99985 0.30890 0.57278 ++ {0.0} {i.n} 0.0 0.3214 1 {} 0
42 {42.H} 8.27057 0.03178 0.05717 ++ {0.0} {i.h} {42.CA} 52.81319 0.45406 0.79942 ++ {0.0} {i.ca} {42.N} 120.00453 0.29882 0.56494 ++ {0.0} {i.n} 0.0 0.4280 1 {} 0
43 {49.H} 8.58788 0.02275 0.03962 ++ {0.0} {i.h} {49.CA} 64.40096 0.43914 0.69142 ++ {0.0} {i.ca} {49.N} 119.56908 0.33230 0.58395 ++ {0.0} {i.n} 0.0 0.1930 1 {} 0
44 {49.H} 8.59502 0.02739 0.03037 ++ {0.0} {i.h} {48.CA} 60.23513 0.44133 0.52444 ++ {0.0} {i-1.ca} {49.N} 119.56838 0.33898 0.41929 ++ {0.0} {i.n} 0.0 0.0614 1 {} 0
45 {58.H} 7.48650 0.01834 0.04010 ++ {0.0} {i.h} {57.CA} 57.43185 0.24758 0.41013 ++ {0.0} {i-1.ca} {58.N} 119.69775 0.25363 0.44176 ++ {0.0} {i.n} 0.0 0.1813 1 {} 0
46 {59.H} 7.88231 0.02107 0.04622 ++ {0.0} {i.h} {59.CA} 57.02070 0.33412 0.57035 ++ {0.0} {i.ca} {59.N} 119.70052 0.30747 0.57892 ++ {0.0} {i.n} 0.0 0.3997 1 {} 0
47 {59.H} 7.87719 0.01186 0.02263 ++ {0.0} {i.h} {58.CA} 56.17295 0.32116 0.45823 ++ {0.0} {i-1.ca} {59.N} 119.67303 0.26624 0.45496 ++ {0.0} {i.n} 0.0 0.1608 1 {} 0
48 {58.H} 7.48365 0.01811 0.05320 ++ {0.0} {i.h} {58.CA} 56.13268 0.38605 0.63454 ++ {0.0} {i.ca} {58.N} 119.68911 0.30851 0.58403 ++ {0.0} {i.n} 0.0 0.4379 1 {} 0
49 {} 8.18758 0.02037 0.03080 ++ {0.0} {} {} 63.57572 0.37184 0.53647 ++ {0.0} {} {} 119.34061 0.27049 0.43498 ++ {0.0} {} 0.0 0.1195 1 {} 0
50 {33.H} 8.47281 0.02404 0.05162 ++ {0.0} {i.h} {33.CA} 60.80195 0.41199 0.71819 ++ {0.0} {i.ca} {33.N} 119.34308 0.30963 0.58450 ++ {0.0} {i.n} 0.0 0.4170 1 {} 0
51 {32.H} 7.71197 0.01572 0.02400 ++ {0.0} {i.h} {31.CA} 59.34571 0.28035 0.38249 ++ {0.0} {i-1.ca} {32.N} 119.32037 0.28288 0.43163 ++ {0.0} {i.n} 0.0 0.0988 1 {} 0
52 {33.H} 8.47191 0.02154 0.03960 ++ {0.0} {i.h} {32.CA} 57.40047 0.38758 0.56973 ++ {0.0} {i-1.ca} {33.N} 119.32999 0.28730 0.49259 ++ {0.0} {i.n} 0.0 0.1641 1 {} 0
53 {32.H} 7.70161 0.02550 0.04297 ++ {0.0} {i.h} {32.CA} 57.39293 0.45629 0.72428 ++ {0.0} {i.ca} {32.N} 119.24497 0.33656 0.59978 ++ {0.0} {i.n} 0.0 0.2149 1 {} 0
54 {} 7.48838 0.00512 0.00451 ++ {0.0} {} {} 56.93723 0.09140 0.08050 ++ {0.0} {} {} 119.31988 0.16283 0.14342 ++ {0.0} {} 0.0 0.0418 1 {} 0
55 {26.H} 8.64299 0.01864 0.03213 ++ {0.0} {i.h} {} 54.79421 0.31807 0.41044 ++ {0.0} {i.ca} {26.N} 119.36446 0.30986 0.43294 ++ {0.0} {i.n} 0.0 0.0777 1 {} 0
56 {26.H} 8.64198 0.02200 0.02718 ++ {0.0} {i.h} {25.CA} 53.19659 0.39218 0.46432 ++ {0.0} {i-1.ca} {26.N} 119.38211 0.30578 0.39676 ++ {0.0} {i.n} 0.0 0.0667 1 {} 0
57 {52.H} 8.21940 0.02253 0.03863 ++ {0.0} {i.h} {51.CA} 63.54951 0.42046 0.65138 ++ {0.0} {i-1.ca} {52.N} 119.00175 0.28671 0.49508 ++ {0.0} {i.n} 0.0 0.1714 1 {} 0
58 {51.H} 9.00504 0.02880 0.04967 ++ {0.0} {i.h} {51.CA} 63.50437 0.45245 0.68478 ++ {0.0} {i.ca} {51.N} 119.11548 0.34661 0.58686 ++ {0.0} {i.n} 0.0 0.1526 1 {} 0
59 {52.H} 8.21835 0.02248 0.04624 ++ {0.0} {i.h} {52.CA} 59.56443 0.42627 0.71683 ++ {0.0} {i.ca} {52.N} 119.00070 0.29540 0.56216 ++ {0.0} {i.n} 0.0 0.4832 1 {} 0
60 {19.H} 8.18080 0.01744 0.05737 ++ {0.0} {i.h} {19.CA} 59.27054 0.38203 0.61488 ++ {0.0} {i.ca} {19.N} 119.00563 0.29252 0.54861 ++ {0.0} {i.n} 0.0 0.3760 1 {} 0
61 {17.H} 7.73175 0.02162 0.04035 ++ {0.0} {i.h} {17.CA} 58.71016 0.46390 0.87013 ++ {0.0} {i.ca} {17.N} 118.98464 0.31671 0.59135 ++ {0.0} {i.n} 0.0 0.3525 1 {} 0
62 {19.H} 8.17909 0.01398 0.02673 ++ {0.0} {i.h} {18.CA} 58.43455 0.31906 0.44784 ++ {0.0} {i-1.ca} {19.N} 119.00496 0.27253 0.44859 ++ {0.0} {i.n} 0.0 0.1323 1 {} 0
63 {45.H} 8.34203 0.01629 0.03068 ++ {0.0} {i.h} {44.CA} 61.32150 0.38521 0.58766 ++ {0.0} {i-1.ca} {45.N} 118.67776 0.30816 0.50072 ++ {0.0} {i.n} 0.0 0.1249 1 {} 0
64 {45.H} 8.34061 0.02397 0.05096 ++ {0.0} {i.h} {45.CA} 59.66511 0.42480 0.73070 ++ {0.0} {i.ca} {45.N} 118.67756 0.31714 0.59631 ++ {0.0} {i.n} 0.0 0.3911 1 {} 0
65 {34.H} 7.97081 0.02301 0.04375 ++ {0.0} {i.h} {34.CA} 65.41007 0.41614 0.69210 ++ {0.0} {i.ca} {34.N} 118.26351 0.32922 0.58753 ++ {0.0} {i.n} 0.0 0.2174 1 {} 0
66 {34.H} 7.97004 0.02273 0.03702 ++ {0.0} {i.h} {33.CA} 60.82563 0.30415 0.40416 ++ {0.0} {i-1.ca} {34.N} 118.31709 0.28885 0.46036 ++ {0.0} {i.n} 0.0 0.1153 1 {} 0
67 {57.H} 7.35762 0.02704 0.05734 ++ {0.0} {i.h} {57.CA} 57.47756 0.50426 0.90376 ++ {0.0} {i.ca} {57.N} 118.33303 0.30277 0.57811 ++ {0.0} {i.n} 0.0 0.5170 1 {} 0
68 {13.H} 8.41913 0.01803 0.04680 ++ {0.0} {i.h} {13.CA} 61.37922 0.39551 0.64398 ++ {0.0} {i.ca} {13.N} 118.00864 0.31251 0.58374 ++ {0.0} {i.n} 0.0 0.3545 1 {} 0
69 {} 7.96752 0.01778 0.01911 ++ {0.0} {} {} 61.11260 0.21718 0.23628 ++ {0.0} {} {} 118.01125 0.24410 0.27305 ++ {0.0} {} 0.0 0.0531 1 {} 0
70 {} 7.96820 0.01595 0.02852 ++ {0.0} {} {} 60.53247 0.19993 0.31137 ++ {0.0} {} {} 117.98882 0.26445 0.41359 ++ {0.0} {} 0.0 0.1074 1 {} 0
71 {56.H} 7.48137 0.02384 0.03617 ++ {0.0} {i.h} {55.CA} 60.18353 0.40400 0.57886 ++ {0.0} {i-1.ca} {56.N} 118.00853 0.30440 0.49148 ++ {0.0} {i.n} 0.0 0.1215 1 {} 0
72 {13.H} 8.41804 0.01314 0.02378 ++ {0.0} {i.h} {12.CA} 59.83712 0.37303 0.55664 ++ {0.0} {i-1.ca} {13.N} 118.01882 0.29385 0.49464 ++ {0.0} {i.n} 0.0 0.1479 1 {} 0
73 {53.H} 8.31239 0.01957 0.03265 ++ {0.0} {i.h} {52.CA} 59.54320 0.37194 0.55602 ++ {0.0} {i-1.ca} {53.N} 118.00631 0.28104 0.48771 ++ {0.0} {i.n} 0.0 0.1770 1 {} 0
74 {56.H} 7.48598 0.02252 0.04931 ++ {0.0} {i.h} {56.CA} 57.74314 0.40624 0.67441 ++ {0.0} {i.ca} {56.N} 118.01029 0.31242 0.59046 ++ {0.0} {i.n} 0.0 0.4256 1 {} 0
75 {53.H} 8.31573 0.01916 0.04283 ++ {0.0} {i.h} {53.CA} 55.71032 0.40207 0.67272 ++ {0.0} {i.ca} {53.N} 117.99932 0.29332 0.55665 ++ {0.0} {i.n} 0.0 0.4581 1 {} 0
76 {55.H} 7.96413 0.02407 0.05338 ++ {0.0} {i.h} {55.CA} 60.17458 0.35883 0.60990 ++ {0.0} {i.ca} {55.N} 117.66254 0.27661 0.52234 ++ {0.0} {i.n} 0.0 0.4196 1 {} 0
77 {} 7.63057 0.01107 0.01728 ++ {0.0} {} {} 58.81948 0.24241 0.30855 ++ {0.0} {} {} 117.65391 0.26510 0.35107 ++ {0.0} {} 0.0 0.0693 1 {} 0
78 {55.H} 7.96258 0.02406 0.03682 ++ {0.0} {i.h} {54.CA} 56.46262 0.37932 0.55688 ++ {0.0} {i-1.ca} {55.N} 117.67868 0.27760 0.45405 ++ {0.0} {i.n} 0.0 0.1285 1 {} 0
79 {9.H} 8.17777 0.03173 0.06208 ++ {0.0} {i.h} {9.CA} 62.06671 0.36088 0.50426 ++ {0.0} {i.ca} {9.N} 117.33499 0.27787 0.44604 ++ {0.0} {i.n} 0.0 0.1186 1 {} 0
80 {41.H} 8.00634 0.01507 0.03153 ++ {0.0} {i.h} {41.CA} 60.46864 0.34658 0.56987 ++ {0.0} {i.ca} {41.N} 117.34521 0.31829 0.58624 ++ {0.0} {i.n} 0.0 0.2961 1 {} 0
81 {24.H} 7.62333 0.02179 0.04433 ++ {0.0} {i.h} {24.CA} 59.81900 0.31386 0.54503 ++ {0.0} {i.ca} {24.N} 117.35201 0.30504 0.55757 ++ {0.0} {i.n} 0.0 0.2720 1 {} 0
82 {} 7.99052 0.02106 0.05078 ++ {0.0} {} {} 59.53935 0.42339 0.72065 ++ {0.0} {} {} 117.33133 0.29218 0.56061 ++ {0.0} {} 0.0 0.5758 -1 {} 0
83 {24.H} 7.61002 0.00629 0.01489 ++ {0.0} {i.h} {23.CA} 58.89460 0.38878 0.42420 ++ {0.0} {i-1.ca} {24.N} 117.34470 0.30541 0.36249 ++ {0.0} {i.n} 0.0 0.0576 1 {} 0
84 {9.H} 8.16727 0.01185 0.01693 ++ {0.0} {i.h} {8.CA} 55.65669 0.29140 0.30542 ++ {0.0} {i-1.ca} {9.N} 117.33519 0.26748 0.28238 ++ {0.0} {i.n} 0.0 0.0496 1 {} 0
85 {41.H} 8.00744 0.02576 0.03175 ++ {0.0} {i.h} {40.CA} 54.34219 0.39426 0.52985 ++ {0.0} {i-1.ca} {41.N} 117.34141 0.32215 0.47892 ++ {0.0} {i.n} 0.0 0.0912 1 {} 0
86 {25.H} 8.33009 0.01397 0.02443 ++ {0.0} {i.h} {24.CA} 59.77095 0.28308 0.44460 ++ {0.0} {i-1.ca} {25.N} 116.67656 0.22257 0.38536 ++ {0.0} {i.n} 0.0 0.1744 1 {} 0
87 {25.H} 8.33458 0.02592 0.05168 ++ {0.0} {i.h} {25.CA} 53.27726 0.43524 0.74173 ++ {0.0} {i.ca} {25.N} 116.66290 0.29855 0.56952 ++ {0.0} {i.n} 0.0 0.5069 1 {} 0
88 {14.H} 7.75986 0.02399 0.03924 ++ {0.0} {i.h} {13.CA} 61.37288 0.35832 0.52093 ++ {0.0} {i-1.ca} {14.N} 115.99037 0.26912 0.46042 ++ {0.0} {i.n} 0.0 0.1620 1 {} 0
89 {31.H} 8.32697 0.01951 0.03690 ++ {0.0} {i.h} {30.CA} 60.41652 0.31373 0.50661 ++ {0.0} {i-1.ca} {31.N} 115.99814 0.25939 0.46436 ++ {0.0} {i.n} 0.0 0.2233 1 {} 0
90 {31.H} 8.32912 0.02360 0.05144 ++ {0.0} {i.h} {31.CA} 59.27106 0.45079 0.75236 ++ {0.0} {i.ca} {31.N} 115.99174 0.29830 0.57079 ++ {0.0} {i.n} 0.0 0.5413 1 {} 0
91 {14.H} 7.76158 0.02121 0.04648 ++ {0.0} {i.h} {14.CA} 59.27999 0.42132 0.71170 ++ {0.0} {i.ca} {14.N} 115.99187 0.29774 0.55707 ++ {0.0} {i.n} 0.0 0.3630 1 {} 0
92 {} 7.99478 0.00764 0.00786 ++ {0.0} {} {} 57.33318 0.12245 0.12599 ++ {0.0} {} {} 115.34341 0.17644 0.18154 ++ {0.0} {} 0.0 0.0482 1 {} 0
93 {27.H} 7.98689 0.03222 0.04955 ++ {0.0} {i.h} {27.CA} 56.84883 0.37095 0.62985 ++ {0.0} {i.ca} {27.N} 114.96054 0.31296 0.57603 ++ {0.0} {i.n} 0.0 0.2938 1 {} 0
94 {27.H} 7.98657 0.02129 0.02234 ++ {0.0} {i.h} {} 54.71473 0.42565 0.43313 ++ {0.0} {i-1.ca} {27.N} 114.97367 0.33373 0.34330 ++ {0.0} {i.n} 0.0 0.0482 1 {} 0
95 {11.H} 9.18928 0.02823 0.05197 ++ {0.0} {i.h} {11.CA} 61.07932 0.44305 0.69654 ++ {0.0} {i.ca} {11.N} 114.57712 0.33449 0.59121 ++ {0.0} {i.n} 0.0 0.2014 1 {} 0
96 {11.H} 9.18853 0.03426 0.03760 ++ {0.0} {i.h} {10.CA} 56.88531 0.46622 0.53706 ++ {0.0} {i-1.ca} {11.N} 114.57151 0.32498 0.39855 ++ {0.0} {i.n} 0.0 0.0605 1 {} 0
97 {23.H} 7.92435 0.01674 0.02780 ++ {0.0} {i.h} {22.CA} 60.78981 0.38171 0.52562 ++ {0.0} {i-1.ca} {23.N} 114.31062 0.26416 0.43263 ++ {0.0} {i.n} 0.0 0.1293 1 {} 0
98 {23.H} 7.92704 0.02286 0.04635 ++ {0.0} {i.h} {23.CA} 58.86246 0.44660 0.76069 ++ {0.0} {i.ca} {23.N} 114.31493 0.30085 0.56827 ++ {0.0} {i.n} 0.0 0.4214 1 {} 0
99 {38.H} 8.01541 0.02303 0.05016 ++ {0.0} {i.h} {38.CA} 58.45213 0.39777 0.67489 ++ {0.0} {i.ca} {38.N} 114.31557 0.30103 0.57110 ++ {0.0} {i.n} 0.0 0.4554 1 {} 0
100 {38.H} 8.01952 0.02006 0.03289 ++ {0.0} {i.h} {37.CA} 56.57936 0.40269 0.60573 ++ {0.0} {i-1.ca} {38.N} 114.32279 0.27513 0.47243 ++ {0.0} {i.n} 0.0 0.1655 1 {} 0
101 {15.H} 8.52358 0.02604 0.04531 ++ {0.0} {i.h} {15.CA} 67.37373 0.47537 0.77116 ++ {0.0} {i.ca} {15.N} 113.62196 0.32896 0.57548 ++ {0.0} {i.n} 0.0 0.1869 1 {} 0
102 {15.H} 8.52672 0.02304 0.03553 ++ {0.0} {i.h} {14.CA} 59.25521 0.35974 0.51855 ++ {0.0} {i-1.ca} {15.N} 113.63316 0.29792 0.48711 ++ {0.0} {i.n} 0.0 0.1283 1 {} 0
103 {40.H} 8.39333 0.02522 0.03831 ++ {0.0} {i.h} {39.CA} 55.17538 0.34035 0.47868 ++ {0.0} {i-1.ca} {40.N} 112.99920 0.27130 0.43715 ++ {0.0} {i.n} 0.0 0.1205 1 {} 0
104 {40.H} 8.39477 0.02753 0.05120 ++ {0.0} {i.h} {40.CA} 54.38088 0.39191 0.67512 ++ {0.0} {i.ca} {40.N} 112.99144 0.29419 0.55060 ++ {0.0} {i.n} 0.0 0.3647 1 {} 0
105 {29.H} 7.63729 0.02506 0.04222 ++ {0.0} {i.h} {29.CA} 60.39774 0.43122 0.67045 ++ {0.0} {i.ca} {29.N} 111.77299 0.33347 0.58458 ++ {0.0} {i.n} 0.0 0.1896 1 {} 0
106 {29.H} 7.63346 0.02766 0.03264 ++ {0.0} {i.h} {28.CA} 53.34744 0.35141 0.42609 ++ {0.0} {i-1.ca} {29.N} 111.73321 0.33164 0.43083 ++ {0.0} {i.n} 0.0 0.0668 1 {} 0
107 {43.H} 8.76068 0.02395 0.05764 ++ {0.0} {i.h} {43.CA} 60.45465 0.39428 0.65649 ++ {0.0} {i.ca} {43.N} 109.32593 0.32205 0.59548 ++ {0.0} {i.n} 0.0 0.3102 1 {} 0
108 {43.H} 8.76296 0.02081 0.03287 ++ {0.0} {i.h} {42.CA} 52.83945 0.38707 0.53873 ++ {0.0} {i-1.ca} {43.N} 109.32923 0.28903 0.44106 ++ {0.0} {i.n} 0.0 0.0988 1 {} 0
109 {} 7.52798 0.01375 0.01560 ++ {0.0} {} {} 63.55797 0.45568 0.50936 ++ {0.0} {} {} 112.34565 0.29896 0.33861 ++ {0.0} {} 0.0 0.0198 1 {} 0
110 {} 7.54853 0.00988 0.00932 ++ {0.0} {} {} 63.31646 0.50473 0.48434 ++ {0.0} {} {} 110.65127 0.30091 0.28518 ++ {0.0} {} 0.0 0.0204 1 {} 0
111 {} 9.30184 0.01433 0.02202 ++ {0.0} {} {} 70.28774 0.50054 0.80103 ++ {0.0} {} {} 109.95364 0.31674 0.43920 ++ {0.0} {} 0.0 0.0280 1 {} 0
112 {} 9.30333 0.00720 0.00915 ++ {0.0} {} {} 69.55403 0.51725 0.70655 ++ {0.0} {} {} 109.97314 0.29346 0.37300 ++ {0.0} {} 0.0 0.0236 1 {} 0
113 {} 8.46897 0.00458 0.01421 ++ {0.0} {} {} 56.36182 0.38638 0.47980 ++ {0.0} {} {} 110.60949 0.27564 0.37135 ++ {0.0} {} 0.0 0.0263 1 {} 0
114 {} 8.47124 0.01259 0.02185 ++ {0.0} {} {} 45.19277 0.29644 0.35830 ++ {0.0} {} {} 110.62709 0.28678 0.38969 ++ {0.0} {} 0.0 0.0268 1 {} 0
115 {35.H} 7.77776 0.01887 0.04379 ++ {0.0} {i.h} {} 65.40970 0.37814 0.63502 ++ {0.0} {i.ca} {35.N} 120.33800 0.27462 0.50702 ++ {0.0} {i.n} 0.0 0.1746 0 {} 0
116 {12.H} 9.08275 0.02087 0.03288 ++ {0.0} {i.h} {11.CA} 61.02529 0.31843 0.44800 ++ {0.0} {i-1.ca} {12.N} 123.35372 0.26496 0.42623 ++ {0.0} {i.n} 0.0 0.0439 0 {} 0
117 {4.H} 8.60517 0.01677 0.04909 ++ {0.0} {i.h} {4.CA} 56.35887 0.27380 0.44825 ++ {0.0} {i.ca} {4.N} 123.69699 0.25409 0.42537 ++ {0.0} {i.n} 0.0 0.0736 0 {} 0
118 {46.H} 7.99052 0.02106 0.05832 ++ {0.0} {i.h} {46.CA} 59.53935 0.42339 0.74208 ++ {0.0} {i.ca} {46.N} 117.33133 0.29218 0.57347 ++ {0.0} {i.n} 0.0 0.5758 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 . . . 4.773 . . 31057 6
2 . . C 13 CA . 'not observed' 4500 Hz . . . 56.000 . . 31057 6
3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 6
stop_
save_