Content for NMR-STAR saveframe, "spectral_peak_list_8"
save_spectral_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_8
_Spectral_peak_list.Entry_ID 31057
_Spectral_peak_list.ID 8
_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 6
_Spectral_peak_list.Experiment_name '3D HN(CA)CO'
_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_hncaco.nv
2580.9921875 3770.10009766 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} 7.79096 0.02608 0.04405 ++ {0.0} {i.h} {62.C} 182.36002 0.32820 0.53136 ++ {0.0} {i.c} {62.N} 128.34543 0.31454 0.59384 ++ {0.0} {i.n} 0.0 0.4685 1 {} 0
1 {62.H} 7.79268 0.02171 0.04032 ++ {0.0} {i.h} {61.C} 175.41830 0.30771 0.44490 ++ {0.0} {i-1.c} {62.N} 128.34451 0.30326 0.52323 ++ {0.0} {i.n} 0.0 0.1912 1 {} 0
2 {37.H} 8.36376 0.02223 0.04208 ++ {0.0} {i.h} {37.C} 180.11992 0.28171 0.45083 ++ {0.0} {i.c} {37.N} 124.35029 0.26971 0.47627 ++ {0.0} {i.n} 0.0 0.2242 1 {} 0
3 {37.H} 8.36699 0.02367 0.03047 ++ {0.0} {i.h} {36.C} 177.20781 0.24225 0.32234 ++ {0.0} {i-1.c} {37.N} 124.35183 0.26130 0.37798 ++ {0.0} {i.n} 0.0 0.0949 1 {} 0
4 {18.H} 8.19207 0.01889 0.03200 ++ {0.0} {i.h} {18.C} 177.82140 0.27255 0.41195 ++ {0.0} {i.c} {18.N} 123.37704 0.30499 0.48964 ++ {0.0} {i.n} 0.0 0.1331 1 {} 0
5 {54.H} 8.15759 0.02022 0.03743 ++ {0.0} {i.h} {54.C} 179.40460 0.30707 0.46402 ++ {0.0} {i.c} {54.N} 123.01627 0.28708 0.49562 ++ {0.0} {i.n} 0.0 0.1919 1 {} 0
6 {30.H} 8.86014 0.02734 0.03297 ++ {0.0} {i.h} {30.C} 178.03603 0.28039 0.34073 ++ {0.0} {i.c} {30.N} 122.68964 0.28075 0.38197 ++ {0.0} {i.n} 0.0 0.0821 1 {} 0
7 {50.H} 8.16233 0.02495 0.04208 ++ {0.0} {i.h} {50.C} 180.20264 0.34901 0.52274 ++ {0.0} {i.c} {50.N} 122.32894 0.31200 0.51842 ++ {0.0} {i.n} 0.0 0.1551 1 {} 0
8 {50.H} 8.16254 0.01706 0.02160 ++ {0.0} {i.h} {49.C} 177.62065 0.23944 0.31242 ++ {0.0} {i-1.c} {50.N} 122.32279 0.25756 0.35645 ++ {0.0} {i.n} 0.0 0.0852 1 {} 0
9 {61.H} 8.24302 0.02158 0.03334 ++ {0.0} {i.h} {60.C} 176.41096 0.29727 0.41246 ++ {0.0} {i-1.c} {61.N} 122.00618 0.27180 0.44054 ++ {0.0} {i.n} 0.0 0.1385 1 {} 0
10 {61.H} 8.24528 0.02648 0.04499 ++ {0.0} {i.h} {61.C} 175.38440 0.32345 0.54379 ++ {0.0} {i.c} {61.N} 122.00600 0.29371 0.54189 ++ {0.0} {i.n} 0.0 0.3386 1 {} 0
11 {48.H} 8.55715 0.02221 0.03411 ++ {0.0} {i.h} {48.C} 180.37192 0.30344 0.45742 ++ {0.0} {i.c} {48.N} 121.65421 0.31479 0.52055 ++ {0.0} {i.n} 0.0 0.1516 1 {} 0
12 {39.H} 8.18035 0.01963 0.03386 ++ {0.0} {i.h} {39.C} 179.66504 0.31193 0.48516 ++ {0.0} {i.c} {39.N} 121.66365 0.28039 0.50528 ++ {0.0} {i.n} 0.0 0.2652 1 {} 0
13 {28.H} 8.41364 0.02623 0.04163 ++ {0.0} {i.h} {28.C} 178.46722 0.31618 0.44281 ++ {0.0} {i.c} {28.N} 121.68508 0.30736 0.47947 ++ {0.0} {i.n} 0.0 0.1193 1 {} 0
14 {39.H} 8.18657 0.01673 0.02668 ++ {0.0} {i.h} {38.C} 178.08876 0.28427 0.35284 ++ {0.0} {i-1.c} {39.N} 121.66552 0.25272 0.36793 ++ {0.0} {i.n} 0.0 0.0965 1 {} 0
15 {48.H} 8.56524 0.00985 0.01336 ++ {0.0} {i.h} {47.C} 177.26389 0.20824 0.24766 ++ {0.0} {i-1.c} {48.N} 121.65874 0.27137 0.34243 ++ {0.0} {i.n} 0.0 0.0711 1 {} 0
16 {28.H} 8.40884 0.01562 0.02508 ++ {0.0} {i.h} {27.C} 174.73875 0.26116 0.31249 ++ {0.0} {i-1.c} {28.N} 121.69804 0.24641 0.31614 ++ {0.0} {i.n} 0.0 0.0732 1 {} 0
17 {22.H} 9.05520 0.01801 0.02003 ++ {0.0} {i.h} {21.C} 179.01503 0.29414 0.33430 ++ {0.0} {i-1.c} {22.N} 121.34262 0.28257 0.33123 ++ {0.0} {i.n} 0.0 0.0634 1 {} 0
18 {22.H} 9.04907 0.02086 0.03482 ++ {0.0} {i.h} {22.C} 176.21471 0.25782 0.43057 ++ {0.0} {i.c} {22.N} 121.33459 0.25407 0.43681 ++ {0.0} {i.n} 0.0 0.1870 1 {} 0
19 {16.H} 8.22962 0.02407 0.04610 ++ {0.0} {i.h} {16.C} 180.61557 0.29002 0.45927 ++ {0.0} {i.c} {16.N} 121.01009 0.28755 0.51085 ++ {0.0} {i.n} 0.0 0.2350 1 {} 0
20 {60.H} 8.09060 0.02791 0.04809 ++ {0.0} {i.h} {60.C} 176.45374 0.37209 0.60130 ++ {0.0} {i.c} {60.N} 121.00617 0.29316 0.53219 ++ {0.0} {i.n} 0.0 0.2843 1 {} 0
21 {36.H} 8.66565 0.02468 0.02790 ++ {0.0} {i.h} {35.C} 180.57434 0.30386 0.34260 ++ {0.0} {i-1.c} {36.N} 120.66815 0.29086 0.34250 ++ {0.0} {i.n} 0.0 0.0638 1 {} 0
22 {44.H} 9.14289 0.02018 0.02496 ++ {0.0} {i.h} {44.C} 178.58852 0.33521 0.39854 ++ {0.0} {i.c} {44.N} 120.62717 0.32742 0.42488 ++ {0.0} {i.n} 0.0 0.0748 1 {} 0
23 {36.H} 8.66849 0.02565 0.04358 ++ {0.0} {i.h} {36.C} 177.20497 0.31532 0.48062 ++ {0.0} {i.c} {36.N} 120.67519 0.30534 0.52929 ++ {0.0} {i.n} 0.0 0.1970 1 {} 0
24 {47.H} 8.02580 0.02692 0.04078 ++ {0.0} {i.h} {47.C} 177.19775 0.29316 0.42133 ++ {0.0} {i.c} {47.N} 120.65399 0.31812 0.51800 ++ {0.0} {i.n} 0.0 0.1413 1 {} 0
25 {10.H} 8.16706 0.02543 0.04273 ++ {0.0} {i.h} {10.C} 176.89743 0.31298 0.48762 ++ {0.0} {i.c} {10.N} 120.68507 0.32195 0.55970 ++ {0.0} {i.n} 0.0 0.2008 1 {} 0
26 {7.H} 8.30451 0.01851 0.01998 ++ {0.0} {i.h} {7.C} 176.38997 0.30803 0.32855 ++ {0.0} {i.c} {7.N} 120.68681 0.32132 0.35502 ++ {0.0} {i.n} 0.0 0.0587 1 {} 0
27 {10.H} 8.17754 0.01574 0.01795 ++ {0.0} {i.h} {9.C} 173.47166 0.28229 0.33225 ++ {0.0} {i-1.c} {10.N} 120.68194 0.28137 0.36114 ++ {0.0} {i.n} 0.0 0.0733 1 {} 0
28 {35.H} 7.78268 0.02617 0.04130 ++ {0.0} {i.h} {35.C} 180.55659 0.32325 0.50850 ++ {0.0} {i.c} {35.N} 120.33946 0.27909 0.50855 ++ {0.0} {i.n} 0.0 0.2952 1 {} 0
29 {20.H} 7.77312 0.02262 0.03721 ++ {0.0} {i.h} {19.C} 179.55771 0.39910 0.58094 ++ {0.0} {i-1.c} {20.N} 120.34178 0.29523 0.50518 ++ {0.0} {i.n} 0.0 0.1818 1 {} 0
30 {35.H} 7.78688 0.02387 0.02682 ++ {0.0} {i.h} {34.C} 178.23877 0.34337 0.38784 ++ {0.0} {i-1.c} {35.N} 120.33153 0.26368 0.32550 ++ {0.0} {i.n} 0.0 0.0686 1 {} 0
31 {21.H} 7.89879 0.01819 0.03197 ++ {0.0} {i.h} {21.C} 179.05582 0.38015 0.61311 ++ {0.0} {i.c} {21.N} 120.00198 0.28861 0.49702 ++ {0.0} {i.n} 0.0 0.1889 1 {} 0
32 {42.H} 8.27517 0.02529 0.04476 ++ {0.0} {i.h} {42.C} 176.19334 0.27392 0.42961 ++ {0.0} {i.c} {42.N} 120.01504 0.25902 0.46910 ++ {0.0} {i.n} 0.0 0.2779 1 {} 0
33 {49.H} 8.58852 0.01270 0.02233 ++ {0.0} {i.h} {49.C} 177.53603 0.28016 0.39558 ++ {0.0} {i.c} {49.N} 119.63482 0.31300 0.49102 ++ {0.0} {i.n} 0.0 0.1217 1 {} 0
34 {59.H} 7.88140 0.01281 0.01443 ++ {0.0} {i.h} {58.C} 177.53101 0.36426 0.38917 ++ {0.0} {i-1.c} {59.N} 119.67268 0.28483 0.32018 ++ {0.0} {i.n} 0.0 0.0599 1 {} 0
35 {58.H} 7.48900 0.02479 0.04959 ++ {0.0} {i.h} {58.C} 177.52477 0.37759 0.59551 ++ {0.0} {i.c} {58.N} 119.68979 0.32270 0.57357 ++ {0.0} {i.n} 0.0 0.2359 1 {} 0
36 {59.H} 7.88943 0.02383 0.04112 ++ {0.0} {i.h} {59.C} 176.68588 0.28732 0.44923 ++ {0.0} {i.c} {59.N} 119.69157 0.30683 0.54241 ++ {0.0} {i.n} 0.0 0.2261 1 {} 0
37 {} 8.18939 0.01941 0.02526 ++ {0.0} {} {} 179.38177 0.16930 0.24163 ++ {0.0} {} {} 119.31835 0.24504 0.32427 ++ {0.0} {} 0.0 0.0776 1 {} 0
38 {33.H} 8.47599 0.02215 0.04354 ++ {0.0} {i.h} {33.C} 177.73955 0.30288 0.51132 ++ {0.0} {i.c} {33.N} 119.33926 0.28978 0.52920 ++ {0.0} {i.n} 0.0 0.3022 1 {} 0
39 {32.H} 7.69950 0.02191 0.03452 ++ {0.0} {i.h} {32.C} 177.75494 0.28446 0.39007 ++ {0.0} {i.c} {32.N} 119.31897 0.31559 0.49782 ++ {0.0} {i.n} 0.0 0.1242 1 {} 0
40 {17.H} 7.73586 0.02557 0.04054 ++ {0.0} {i.h} {17.C} 179.70467 0.32287 0.45937 ++ {0.0} {i.c} {17.N} 118.98253 0.32969 0.55500 ++ {0.0} {i.n} 0.0 0.1658 1 {} 0
41 {19.H} 8.18474 0.01717 0.03365 ++ {0.0} {i.h} {19.C} 179.68134 0.27449 0.46296 ++ {0.0} {i.c} {19.N} 119.01192 0.28556 0.48754 ++ {0.0} {i.n} 0.0 0.1794 1 {} 0
42 {52.H} 8.22102 0.01743 0.03382 ++ {0.0} {i.h} {52.C} 178.93298 0.29644 0.49003 ++ {0.0} {i.c} {52.N} 119.00915 0.27423 0.49521 ++ {0.0} {i.n} 0.0 0.2704 1 {} 0
43 {19.H} 8.18742 0.02149 0.02373 ++ {0.0} {i.h} {18.C} 177.91695 0.31778 0.33935 ++ {0.0} {i-1.c} {19.N} 118.99234 0.28689 0.32196 ++ {0.0} {i.n} 0.0 0.0598 1 {} 0
44 {51.H} 9.01283 0.01514 0.02033 ++ {0.0} {i.h} {51.C} 177.78552 0.25426 0.31732 ++ {0.0} {i.c} {51.N} 119.01975 0.30620 0.41348 ++ {0.0} {i.n} 0.0 0.0808 1 {} 0
45 {52.H} 8.22481 0.01513 0.02735 ++ {0.0} {i.h} {51.C} 177.75027 0.31005 0.41586 ++ {0.0} {i-1.c} {52.N} 118.99638 0.24842 0.38161 ++ {0.0} {i.n} 0.0 0.1132 1 {} 0
46 {45.H} 8.34565 0.02080 0.03605 ++ {0.0} {i.h} {45.C} 177.97371 0.31924 0.49589 ++ {0.0} {i.c} {45.N} 118.66669 0.29615 0.51580 ++ {0.0} {i.n} 0.0 0.2032 1 {} 0
47 {34.H} 7.96229 0.01514 0.02397 ++ {0.0} {i.h} {34.C} 178.21407 0.23175 0.36218 ++ {0.0} {i.c} {34.N} 118.31520 0.26449 0.41526 ++ {0.0} {i.n} 0.0 0.1221 1 {} 0
48 {57.H} 7.36208 0.02723 0.04740 ++ {0.0} {i.h} {57.C} 177.35951 0.34636 0.55660 ++ {0.0} {i.c} {57.N} 118.32747 0.29340 0.53065 ++ {0.0} {i.n} 0.0 0.2744 1 {} 0
49 {56.H} 7.49003 0.02178 0.02739 ++ {0.0} {i.h} {55.C} 178.95935 0.29409 0.35937 ++ {0.0} {i-1.c} {56.N} 117.99615 0.26651 0.35761 ++ {0.0} {i.n} 0.0 0.0798 1 {} 0
50 {53.H} 8.31922 0.01408 0.01660 ++ {0.0} {i.h} {52.C} 178.93585 0.32202 0.37482 ++ {0.0} {i-1.c} {53.N} 118.00934 0.26380 0.33097 ++ {0.0} {i.n} 0.0 0.0704 1 {} 0
51 {13.H} 8.41465 0.01403 0.01820 ++ {0.0} {i.h} {} 178.03355 0.28329 0.31373 ++ {0.0} {i-1.c} {13.N} 117.99713 0.27386 0.32201 ++ {0.0} {i.n} 0.0 0.0637 1 {} 0
52 {53.H} 8.32002 0.01937 0.03897 ++ {0.0} {i.h} {53.C} 177.74086 0.24527 0.41451 ++ {0.0} {i.c} {53.N} 118.00829 0.27014 0.48104 ++ {0.0} {i.n} 0.0 0.2394 1 {} 0
53 {56.H} 7.49162 0.02631 0.03999 ++ {0.0} {i.h} {56.C} 177.54053 0.32001 0.50663 ++ {0.0} {i.c} {56.N} 118.01220 0.30887 0.54428 ++ {0.0} {i.n} 0.0 0.2207 1 {} 0
54 {13.H} 8.41877 0.01620 0.02858 ++ {0.0} {i.h} {13.C} 176.92580 0.31542 0.47403 ++ {0.0} {i.c} {13.N} 118.01142 0.30224 0.51730 ++ {0.0} {i.n} 0.0 0.1820 1 {} 0
55 {55.H} 7.96476 0.02582 0.04358 ++ {0.0} {i.h} {55.C} 178.91135 0.34630 0.52958 ++ {0.0} {i.c} {55.N} 117.67256 0.27118 0.46860 ++ {0.0} {i.n} 0.0 0.1930 1 {} 0
56 {} 7.62859 0.01065 0.01369 ++ {0.0} {} {} 176.44370 0.26644 0.30509 ++ {0.0} {} {} 117.62483 0.25113 0.30977 ++ {0.0} {} 0.0 0.0685 1 {} 0
57 {} 7.99258 0.01900 0.03937 ++ {0.0} {} {} 180.25542 0.28062 0.44217 ++ {0.0} {} {} 117.32240 0.26506 0.48027 ++ {0.0} {} 0.0 0.2792 -1 {} 0
58 {} 7.99387 0.01787 0.02871 ++ {0.0} {} {} 178.02765 0.24178 0.32058 ++ {0.0} {} {} 117.31276 0.23288 0.35233 ++ {0.0} {} 0.0 0.1078 -1 {} 0
59 {24.H} 7.62845 0.01989 0.03679 ++ {0.0} {i.h} {24.C} 176.18654 0.28865 0.39992 ++ {0.0} {i.c} {24.N} 117.35136 0.31030 0.49730 ++ {0.0} {i.n} 0.0 0.1321 1 {} 0
60 {41.H} 8.01773 0.02037 0.03485 ++ {0.0} {i.h} {41.C} 173.85417 0.29806 0.40653 ++ {0.0} {i.c} {41.N} 117.33994 0.30598 0.47805 ++ {0.0} {i.n} 0.0 0.1200 1 {} 0
61 {9.H} 8.18233 0.01719 0.01833 ++ {0.0} {i.h} {9.C} 173.39146 0.26310 0.28567 ++ {0.0} {i.c} {9.N} 117.33961 0.27584 0.30606 ++ {0.0} {i.n} 0.0 0.0590 1 {} 0
62 {25.H} 8.34083 0.02445 0.02825 ++ {0.0} {i.h} {24.C} 176.25745 0.31188 0.36884 ++ {0.0} {i-1.c} {25.N} 116.68822 0.26051 0.33363 ++ {0.0} {i.n} 0.0 0.0730 1 {} 0
63 {25.H} 8.33818 0.02341 0.04165 ++ {0.0} {i.h} {25.C} 173.33269 0.31329 0.49344 ++ {0.0} {i.c} {25.N} 116.65758 0.27672 0.49098 ++ {0.0} {i.n} 0.0 0.2326 1 {} 0
64 {31.H} 8.33129 0.01946 0.03913 ++ {0.0} {i.h} {31.C} 178.51736 0.31223 0.48877 ++ {0.0} {i.c} {31.N} 115.99480 0.27849 0.50606 ++ {0.0} {i.n} 0.0 0.2871 1 {} 0
65 {31.H} 8.33253 0.01199 0.01375 ++ {0.0} {i.h} {30.C} 177.96365 0.35280 0.39015 ++ {0.0} {i-1.c} {31.N} 115.98145 0.27254 0.31806 ++ {0.0} {i.n} 0.0 0.0630 1 {} 0
66 {14.H} 7.76333 0.01966 0.03649 ++ {0.0} {i.h} {14.C} 177.37512 0.40432 0.61511 ++ {0.0} {i.c} {14.N} 115.99966 0.29639 0.49381 ++ {0.0} {i.n} 0.0 0.1572 1 {} 0
67 {27.H} 7.98324 0.01974 0.03499 ++ {0.0} {i.h} {27.C} 174.76073 0.28317 0.41583 ++ {0.0} {i.c} {27.N} 114.96792 0.30558 0.49574 ++ {0.0} {i.n} 0.0 0.1390 1 {} 0
68 {11.H} 9.19432 0.01123 0.02793 ++ {0.0} {i.h} {11.C} 175.65471 0.29419 0.38648 ++ {0.0} {i.c} {11.N} 114.61186 0.31873 0.47510 ++ {0.0} {i.n} 0.0 0.1031 1 {} 0
69 {38.H} 8.02196 0.01827 0.02560 ++ {0.0} {i.h} {37.C} 180.12703 0.28323 0.37158 ++ {0.0} {i-1.c} {38.N} 114.30898 0.27247 0.39427 ++ {0.0} {i.n} 0.0 0.0949 1 {} 0
70 {38.H} 8.01941 0.02287 0.04060 ++ {0.0} {i.h} {38.C} 178.10243 0.32666 0.49179 ++ {0.0} {i.c} {38.N} 114.32262 0.29271 0.51649 ++ {0.0} {i.n} 0.0 0.2229 1 {} 0
71 {23.H} 7.92711 0.02069 0.03607 ++ {0.0} {i.h} {23.C} 176.98595 0.30080 0.46316 ++ {0.0} {i.c} {23.N} 114.32651 0.27963 0.49897 ++ {0.0} {i.n} 0.0 0.2435 1 {} 0
72 {23.H} 7.93414 0.00882 0.00953 ++ {0.0} {i.h} {22.C} 176.25050 0.31635 0.33171 ++ {0.0} {i-1.c} {23.N} 114.31969 0.25784 0.27858 ++ {0.0} {i.n} 0.0 0.0571 1 {} 0
73 {15.H} 8.53229 0.01480 0.01730 ++ {0.0} {i.h} {14.C} 177.30414 0.26635 0.30889 ++ {0.0} {i-1.c} {15.N} 113.62655 0.27789 0.33293 ++ {0.0} {i.n} 0.0 0.0655 1 {} 0
74 {15.H} 8.52612 0.01510 0.02287 ++ {0.0} {i.h} {15.C} 175.59708 0.27130 0.36473 ++ {0.0} {i.c} {15.N} 113.63349 0.30211 0.44473 ++ {0.0} {i.n} 0.0 0.0994 1 {} 0
75 {40.H} 8.39901 0.02278 0.02458 ++ {0.0} {i.h} {39.C} 179.74760 0.31116 0.32351 ++ {0.0} {i-1.c} {40.N} 112.98171 0.25749 0.27486 ++ {0.0} {i.n} 0.0 0.0563 1 {} 0
76 {40.H} 8.40239 0.02630 0.03862 ++ {0.0} {i.h} {40.C} 176.40123 0.28929 0.43058 ++ {0.0} {i.c} {40.N} 112.98632 0.28965 0.48053 ++ {0.0} {i.n} 0.0 0.1540 1 {} 0
77 {29.H} 7.64311 0.02286 0.02925 ++ {0.0} {i.h} {29.C} 175.06601 0.30527 0.38775 ++ {0.0} {i.c} {29.N} 111.87219 0.32445 0.45482 ++ {0.0} {i.n} 0.0 0.0878 1 {} 0
78 {29.H} 7.63527 0.00772 0.00809 ++ {0.0} {i.h} {28.C} 178.45543 0.26665 0.27459 ++ {0.0} {i-1.c} {29.N} 111.65916 0.29909 0.31335 ++ {0.0} {i.n} 0.0 0.0551 1 {} 0
79 {43.H} 8.76195 0.03045 0.04734 ++ {0.0} {i.h} {43.C} 176.30292 0.32517 0.47424 ++ {0.0} {i.c} {43.N} 109.32632 0.31853 0.53845 ++ {0.0} {i.n} 0.0 0.1696 1 {} 0
80 {18.H} 8.18443 0.01545 0.01170 ++ {0.0} {i.h} {17.C} 179.83086 0.22992 0.20206 ++ {0.0} {i-1.c} {18.N} 123.37173 0.24548 0.20509 ++ {0.0} {i.n} 0.0 0.0450 1 {} 0
81 {54.H} 8.16110 0.01706 0.02161 ++ {0.0} {i.h} {53.C} 177.69142 0.23944 0.31262 ++ {0.0} {i-1.c} {54.N} 123.01210 0.25756 0.35667 ++ {0.0} {i.n} 0.0 0.0852 1 {} 0
82 {30.H} 8.86224 0.01071 0.01522 ++ {0.0} {i.h} {29.C} 175.03104 0.29456 0.24823 ++ {0.0} {i-1.c} {30.N} 122.67845 0.24138 0.17206 ++ {0.0} {i.n} 0.0 0.0407 1 {} 0
83 {8.H} 8.56701 0.01749 0.01979 ++ {0.0} {i.h} {8.C} 175.57433 0.24416 0.27864 ++ {0.0} {i.c} {8.N} 122.66534 0.28589 0.34865 ++ {0.0} {i.n} 0.0 0.0430 1 {} 0
84 {8.H} 8.56562 0.00838 0.00692 ++ {0.0} {i.h} {7.C} 176.28328 0.26841 0.23541 ++ {0.0} {i-1.c} {8.N} 122.64994 0.21274 0.17575 ++ {0.0} {i.n} 0.0 0.0286 1 {} 0
85 {16.H} 8.23497 0.00989 0.01898 ++ {0.0} {i.h} {15.C} 175.66055 0.20635 0.28480 ++ {0.0} {i-1.c} {16.N} 120.99684 0.21417 0.30550 ++ {0.0} {i.n} 0.0 0.0468 1 {} 0
86 {7.H} 8.30584 0.01336 0.01784 ++ {0.0} {i.h} {6.C} 173.70857 0.26538 0.33882 ++ {0.0} {i-1.c} {7.N} 120.67191 0.27098 0.36854 ++ {0.0} {i.n} 0.0 0.0419 1 {} 0
87 {47.H} 8.02906 0.00856 0.02418 ++ {0.0} {i.h} {46.C} 180.25531 0.24431 0.31247 ++ {0.0} {i-1.c} {47.N} 120.66678 0.27440 0.38588 ++ {0.0} {i.n} 0.0 0.0452 1 {} 0
88 {} 9.14719 0.01017 0.01452 ++ {0.0} {} {} 176.38745 0.29189 0.37710 ++ {0.0} {} {} 120.36583 0.32018 0.45740 ++ {0.0} {} 0.0 0.0470 1 {} 0
89 {42.H} 8.27142 0.01221 0.01743 ++ {0.0} {i.h} {41.C} 173.84341 0.28125 0.32387 ++ {0.0} {i-1.c} {42.N} 119.99567 0.26650 0.33122 ++ {0.0} {i.n} 0.0 0.0355 1 {} 0
90 {26.H} 8.64118 0.01991 0.02569 ++ {0.0} {i.h} {26.C} 173.27159 0.35639 0.46439 ++ {0.0} {i.c} {26.N} 119.39034 0.32600 0.47501 ++ {0.0} {i.n} 0.0 0.0494 1 {} 0
91 {49.H} 8.59887 0.01318 0.01693 ++ {0.0} {i.h} {48.C} 180.31183 0.29812 0.35243 ++ {0.0} {i-1.c} {49.N} 119.46927 0.29903 0.39399 ++ {0.0} {i.n} 0.0 0.0315 1 {} 0
92 {51.H} 8.99877 0.01285 0.01563 ++ {0.0} {i.h} {50.C} 180.23457 0.27373 0.32302 ++ {0.0} {i-1.c} {51.N} 119.29069 0.30152 0.38209 ++ {0.0} {i.n} 0.0 0.0293 1 {} 0
93 {32.H} 7.70720 0.00902 0.02074 ++ {0.0} {i.h} {31.C} 178.58949 0.18046 0.26186 ++ {0.0} {i-1.c} {32.N} 119.10720 0.27092 0.42684 ++ {0.0} {i.n} 0.0 0.0405 1 {} 0
94 {45.H} 8.34110 0.01979 0.02759 ++ {0.0} {i.h} {44.C} 178.61090 0.46591 0.54469 ++ {0.0} {i-1.c} {45.N} 118.74420 0.30586 0.40975 ++ {0.0} {i.n} 0.0 0.0325 1 {} 0
95 {55.H} 7.96433 0.01171 0.02415 ++ {0.0} {i.h} {54.C} 179.52872 0.32762 0.47235 ++ {0.0} {i-1.c} {55.N} 117.67419 0.23799 0.32778 ++ {0.0} {i.n} 0.0 0.0345 1 {} 0
96 {24.H} 7.62952 0.00892 0.01648 ++ {0.0} {i.h} {23.C} 176.90457 0.25137 0.31514 ++ {0.0} {i-1.c} {24.N} 117.33470 0.25470 0.37506 ++ {0.0} {i.n} 0.0 0.0407 1 {} 0
97 {9.H} 8.17719 0.01734 0.01859 ++ {0.0} {i.h} {8.C} 175.61023 0.28236 0.30521 ++ {0.0} {i-1.c} {9.N} 117.31199 0.25788 0.28862 ++ {0.0} {i.n} 0.0 0.0244 1 {} 0
98 {41.H} 8.01839 0.02029 0.03509 ++ {0.0} {i.h} {40.C} 176.36917 0.26121 0.36414 ++ {0.0} {i-1.c} {41.N} 117.34740 0.29452 0.43951 ++ {0.0} {i.n} 0.0 0.0423 1 {} 0
99 {14.H} 7.76289 0.01966 0.04768 ++ {0.0} {i.h} {13.C} 176.75504 0.40432 0.68610 ++ {0.0} {i-1.c} {14.N} 115.99966 0.29639 0.55229 ++ {0.0} {i.n} 0.0 0.1572 1 {} 0
100 {27.H} 7.98613 0.02032 0.03155 ++ {0.0} {i.h} {26.C} 173.21207 0.32070 0.41749 ++ {0.0} {i-1.c} {27.N} 114.98992 0.27732 0.40300 ++ {0.0} {i.n} 0.0 0.0393 1 {} 0
101 {11.H} 9.19489 0.00777 0.01254 ++ {0.0} {i.h} {10.C} 176.90549 0.21147 0.28664 ++ {0.0} {i-1.c} {11.N} 114.35274 0.26652 0.39501 ++ {0.0} {i.n} 0.0 0.0415 1 {} 0
102 {} 7.55639 0.00913 0.01288 ++ {0.0} {} {} 180.15735 0.27363 0.32761 ++ {0.0} {} {} 110.65462 0.24163 0.32411 ++ {0.0} {} 0.0 0.0261 1 {} 0
103 {6.H} 8.47707 0.01698 0.03737 ++ {0.0} {i.h} {6.C} 173.77722 0.24471 0.32390 ++ {0.0} {i.c} {6.N} 110.35157 0.29890 0.43804 ++ {0.0} {i.n} 0.0 0.0321 1 {} 0
104 {12.H} 9.09891 0.01596 0.01582 ++ {0.0} {i.h} {12.C} 177.83199 0.36158 0.35791 ++ {0.0} {i.c} {12.N} 123.33335 0.35376 0.34701 ++ {0.0} {i.n} 0.0 0.0135 1 {} 0
105 {5.H} 8.50889 0.01007 0.01877 ++ {0.0} {i.h} {} 176.23502 0.30153 0.40882 ++ {0.0} {i.c} {5.N} 123.68456 0.26417 0.40728 ++ {0.0} {i.n} 0.0 0.0469 1 {} 0
106 {20.H} 7.77168 0.02262 0.04168 ++ {0.0} {i.h} {20.C} 179.21559 0.39910 0.61934 ++ {0.0} {i.c} {20.N} 120.34178 0.29523 0.54680 ++ {0.0} {i.n} 0.0 0.1818 0 {} 0
107 {46.H} 7.99258 0.01900 0.03243 ++ {0.0} {i.h} {46.C} 180.25542 0.28062 0.40152 ++ {0.0} {i.c} {46.N} 117.32240 0.26506 0.43289 ++ {0.0} {i.n} 0.0 0.2792 0 {} 0
108 {46.H} 7.99387 0.01710 0.01777 ++ {0.0} {i.h} {45.C} 178.02765 0.24178 0.24947 ++ {0.0} {i-1.c} {46.N} 117.31276 0.23288 0.24453 ++ {0.0} {i.n} 0.0 0.1078 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 . . . 4.776 . . 31057 8
2 . . C 13 CO . 'not observed' 3770 Hz . . . 174.000 . . 31057 8
3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 8
stop_
save_