Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 30817
_Spectral_peak_list.ID 1
_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 1
_Spectral_peak_list.Experiment_name 2D_NOESY
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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
1H 2H
7002.80078125 7002.80078125
700.132995605 700.132995605
1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U vol int stat comment flag0 flag8 flag9
0 {595.h6} 5.45423 0.01928 0.01715 ++ {0.0} {} {595.h5} 7.96156 0.05106 0.06226 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
1 {594.h6} 5.61917 0.02121 0.02828 ++ {0.0} {} {594.h5} 7.92930 0.04569 0.04955 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
2 {589.h8} 5.45307 0.01780 0.05903 ++ {0.0} {} {589.h1'} 7.61987 0.04761 0.02318 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
3 {597.h6} 5.55052 0.01653 0.03949 ++ {0.0} {} {597.h5} 7.69914 0.05582 0.02172 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
4 {593.h6} 5.93139 0.01907 0.04196 ++ {0.0} {} {593.h5} 7.93717 0.04597 0.02166 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
5 {596.h6} 5.70892 0.01780 0.02373 ++ {0.0} {} {596.h5} 7.92145 0.02955 0.03940 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
6 {582.h8} 5.87914 0.04134 0.01713 ++ {0.0} {} {582.h1'} 8.26051 0.01244 0.02773 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
7 {583.h8} 5.87879 0.02658 0.02841 ++ {0.0} {} {582.h1'} 7.65800 0.00933 0.01858 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
8 {583.h8} 5.93089 0.03396 0.04528 ++ {0.0} {} {583.h1'} 7.65635 0.01088 0.01684 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
9 {584.h8} 5.94013 0.73189 0.02551 ++ {0.0} {} {583.h1'} 7.82726 0.16497 0.04630 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
10 {589.h6} 5.38733 0.03933 0.05244 ++ {0.0} {} {593.h1'} 8.05041 0.00959 0.01278 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
11 {596.h6} 5.45656 0.01687 0.01389 ++ {0.0} {} {597.h5} 7.50184 0.00729 0.00972 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
12 {594.h6} 5.51820 0.04787 0.02847 ++ {0.0} {} {594.h1'} 7.92748 0.01127 0.01999 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
13 {595.h6} 5.50827 0.03191 0.01822 ++ {0.0} {} {594.h1'} 7.97245 0.01202 0.01603 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
14 {593.h6} 5.51456 0.02722 0.02881 ++ {0.0} {} {593.h1'} 7.93553 0.01202 0.01603 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
15 {595.h6} 5.55838 0.03097 0.01801 ++ {0.0} {} {595.h1'} 7.96851 0.01278 0.04348 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
16 {596.h6} 5.56031 0.03285 0.00967 ++ {0.0} {} {595.h1'} 7.91346 0.01202 0.02955 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
17 {588.h8} 5.68302 0.04831 0.01805 ++ {0.0} {} {588.h1'} 8.08384 0.01514 0.01793 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
18 {597.h6} 5.60045 0.03732 0.01437 ++ {0.0} {} {596.h1'} 7.69580 0.01594 0.03820 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
19 {597.h1'} 5.49401 0.04265 0.05687 ++ {0.0} {} {597.h6} 7.25256 0.00957 0.03648 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
20 {584.h2} 5.59786 0.01455 0.01940 ++ {0.0} {} {596.h1'} 7.50734 0.02089 0.02786 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
21 {584.h2} 5.65370 0.01309 0.01746 ++ {0.0} {} {585.h1'} 7.50803 0.02670 0.01962 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
22 {585.h8} 5.64695 0.01455 0.02396 ++ {0.0} {} {585.h1'} 7.12446 0.02322 0.03096 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
23 {584.h1'} 6.02477 0.01600 0.01386 ++ {0.0} {} {585.h8} 7.12197 0.01509 0.02012 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
24 {586.h8} 5.64722 0.01600 0.02654 ++ {0.0} {} {585.h1'} 7.17986 0.15323 0.04024 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
25 {596.h6} 5.59879 0.02182 0.01265 ++ {0.0} {} {596.h1'} 7.91773 0.03047 0.04063 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
26 {586.h8} 5.72776 0.03016 0.02082 ++ {0.0} {} {586.h1'} 7.17594 0.01151 0.04247 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
27 {587.h1'} 5.50709 0.03564 0.03397 ++ {0.0} {} {586.h8} 7.27779 0.02138 0.01091 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
28 {587.h8} 5.88707 0.03838 0.01935 ++ {0.0} {} {587.h1'} 7.86417 0.01645 0.02193 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
29 {592.h8} 5.91691 0.03290 0.04387 ++ {0.0} {} {592.h1'} 7.99847 0.02344 0.02156 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
30 {593.h6} 5.91601 0.01496 0.01995 ++ {0.0} {} {592.h1'} 7.93533 0.01498 0.01997 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
31 {597.h1'} 5.60742 0.01077 0.01436 ++ {0.0} {} {597.h6} 7.59881 0.00754 0.00802 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
32 {584.h8} 6.02507 0.01700 0.01208 ++ {0.0} {} {584.h1'} 7.82003 0.03607 0.05181 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
33 {591.h8} 6.01180 0.01233 0.05958 ++ {0.0} {} {591.h1'} 8.35562 0.04429 0.01686 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
34 {591.h8} 5.71870 0.01274 0.07034 ++ {0.0} {} {590.h1'} 8.35338 0.02742 0.02026 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
35 {592.h8} 6.01466 0.00395 0.03555 ++ {0.0} {} {591.h1'} 7.99948 0.02946 0.01092 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
36 {590.h8} 6.26465 0.02123 0.02830 ++ {0.0} {} {590.h1'} 8.10358 0.00924 0.01232 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
37 {588.h1'} 6.20155 0.01739 0.02319 ++ {0.0} {} {589.h8} 7.55972 0.03602 0.04802 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
38 {582.h8} 4.98496 0.03981 0.03037 ++ {0.0} {} {582.h2'} 8.25487 0.01997 0.01034 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
39 {583.h8} 5.00019 0.03454 0.05927 ++ {0.0} {} {582.h2'} 7.65406 0.01396 0.02661 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
40 {585.h1'} 4.52313 0.00991 0.02340 ++ {0.0} {} {585.h2'} 5.64246 0.04407 0.02595 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
41 {585.h1'} 4.41543 0.00886 0.01899 ++ {0.0} {} {585.h3'} 5.64179 0.03917 0.01898 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
42 {585.h8} 4.51579 0.01977 0.02413 ++ {0.0} {} {585.h2'} 7.13213 0.05810 0.05457 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
43 {585.h8} 4.42222 0.01130 0.05603 ++ {0.0} {} {585.h3'} 7.12758 0.03298 0.01415 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
44 {586.h8} 4.42608 0.01986 0.02647 ++ {0.0} {} {586.h3'} 7.17469 0.04140 0.05521 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
45 {583.h1'} 4.59631 0.01054 0.04563 ++ {0.0} {} {583.h2'} 5.93968 0.04284 0.02195 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
46 {583.h1'} 4.68971 0.00790 0.07851 ++ {0.0} {} {583.h3'} 5.94061 0.02652 0.01233 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
47 {586.h8} 4.51396 0.04639 0.03338 ++ {0.0} {} {586.h2'} 7.18035 0.01549 0.04662 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
48 {587.h2'} 4.96818 0.03178 0.02895 ++ {0.0} {} {586.h8} 6.98809 0.01136 0.03699 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
49 {586.h1'} 4.49995 0.02308 0.06579 ++ {0.0} {} {586.h2'} 5.71364 0.01678 0.01060 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
50 {583.h8} 4.69968 0.03219 0.04292 ++ {0.0} {} {583.h3'} 7.65644 0.00964 0.03427 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
51 {597.h6} 5.52297 0.05139 0.06852 ++ {0.0} {} {596.h2'} 6.41404 0.01640 0.02187 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
52 {596.h6} 4.22185 0.03426 0.04568 ++ {0.0} {} {596.h2'} 7.91964 0.01640 0.02187 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
53 {596.h1'} 4.24863 0.03426 0.04568 ++ {0.0} {} {596.h2'} 5.59852 0.02005 0.02673 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
54 {596.h1'} 4.44165 0.02398 0.02514 ++ {0.0} {} {596.h3'} 5.59989 0.03099 0.04132 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
55 {597.h1'} 4.01194 0.03332 0.04443 ++ {0.0} {} {597.h2'} 5.72856 0.01544 0.02059 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
56 {597.h6} 4.18847 0.02083 0.02777 ++ {0.0} {} {597.h3'} 7.68964 0.01158 0.01544 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
57 {597.h1'} 4.19113 0.04165 0.05554 ++ {0.0} {} {597.h3'} 5.72931 0.02075 0.02767 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
58 {595.h1'} 4.48320 0.03443 0.01601 ++ {0.0} {} {595.h2'} 5.53941 0.01292 0.01722 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
59 {595.h6} 4.39548 0.03610 0.04813 ++ {0.0} {} {595.h2'} 7.97049 0.01879 0.03298 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
60 {594.h1'} 4.46955 0.04920 0.03722 ++ {0.0} {} {594.h2'} 5.50628 0.01444 0.01925 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
61 {594.h1'} 4.13162 0.03740 0.03610 ++ {0.0} {} {594.h3'} 5.50568 0.01710 0.01474 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
62 {594.h6} 4.46530 0.01700 0.02458 ++ {0.0} {} {594.h2'} 7.92971 0.00892 0.01190 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
63 {595.h2'} 4.88397 0.03060 0.04080 ++ {0.0} {} {594.h6} 6.92162 0.01487 0.01983 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
64 {582.h1'} 5.00498 0.03984 0.05313 ++ {0.0} {} {582.h2'} 5.87716 0.01162 0.01549 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
65 {582.h1'} 4.84708 0.02656 0.03542 ++ {0.0} {} {582.h3'} 5.86947 0.02760 0.03679 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
66 {583.h8} 4.57923 0.01851 0.02468 ++ {0.0} {} {583.h2'} 7.64743 0.02487 0.03316 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
67 {582.h1'} 3.70017 0.00881 0.01175 ++ {0.0} {} {596.h3'} 6.66574 0.03193 0.04257 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
68 {597.h6} 4.01473 0.02618 0.03490 ++ {0.0} {} {597.h2'} 7.69405 0.03375 0.04500 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
69 {596.h1'} 4.50529 0.01410 0.01880 ++ {0.0} {} {596.h4'} 5.59713 0.02702 0.03602 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
70 {585.h1'} 4.07793 0.01101 0.01469 ++ {0.0} {} {585.h5'} 5.64210 0.02609 0.03479 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
71 {585.h1'} 4.07850 0.01638 0.02184 ++ {0.0} {} {585.h4'} 5.64168 0.04184 0.02074 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
72 {585.h8} 4.71741 0.01517 0.04593 ++ {0.0} {} {584.h2'} 7.12861 0.04064 0.05418 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
73 {585.h5'} 4.01815 0.01517 0.02023 ++ {0.0} {} {585.h8} 7.01756 0.03734 0.04979 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
74 {585.h8} 4.09214 0.01400 0.02449 ++ {0.0} {} {586.h4'} 7.17577 0.02856 0.03563 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
75 {589.h1'} 4.38797 0.01586 0.01072 ++ {0.0} {} {589.h2'} 5.44168 0.03385 0.01296 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
76 {589.h1'} 4.07482 0.01410 0.01880 ++ {0.0} {} {589.h3'} 5.44327 0.03385 0.01585 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
77 {589.h1'} 3.99445 0.01057 0.01410 ++ {0.0} {} {589.h4'} 5.38415 0.01630 0.02173 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
78 {583.h4'} 5.34081 0.01383 0.01843 ++ {0.0} {} {583.h8} 6.39245 0.03769 0.05025 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
79 {584.h1'} 4.22188 0.01704 0.02272 ++ {0.0} {} {584.h2'} 6.00509 0.05629 0.03693 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
80 {584.h1'} 4.20545 0.01065 0.01420 ++ {0.0} {} {584.h3'} 6.16865 0.02533 0.03378 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
81 {584.h8} 4.71602 0.01348 0.01797 ++ {0.0} {} {584.h2'} 7.82482 0.03470 0.06499 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
82 {586.h1'} 4.43222 0.00958 0.06015 ++ {0.0} {} {586.h3'} 5.71323 0.02955 0.01042 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
83 {586.h1'} 4.16876 0.02023 0.02698 ++ {0.0} {} {586.h4'} 6.02105 0.03659 0.01080 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
84 {588.h1'} 4.40646 0.00958 0.01278 ++ {0.0} {} {588.h2'} 5.66928 0.01689 0.01634 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
85 {586.h1'} 3.99884 0.00958 0.04723 ++ {0.0} {} {586.h5''} 6.02303 0.00985 0.01524 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
86 {592.h1'} 4.92982 0.01065 0.01420 ++ {0.0} {} {592.h2'} 5.90638 0.03800 0.03099 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
87 {593.h1'} 4.39863 0.01764 0.01269 ++ {0.0} {} {593.h2'} 5.50034 0.03694 0.01196 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
88 {593.h2'} 4.24654 0.01536 0.03580 ++ {0.0} {} {593.h6} 7.94937 0.02739 0.03990 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
89 {595.h1'} 4.24428 0.00799 0.03105 ++ {0.0} {} {593.h3'} 5.53818 0.01759 0.01651 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
90 {595.h1'} 4.39713 0.00532 0.00710 ++ {0.0} {} {595.h4'} 5.54766 0.00880 0.01173 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
91 {582.h3'} 5.34275 0.00668 0.00890 ++ {0.0} {} {582.h8} 6.85881 0.00955 0.01274 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
92 {582.h3'} 5.39510 0.01502 0.02003 ++ {0.0} {} {583.h8} 6.78009 0.00827 0.01102 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
93 {584.h8} 4.22066 0.00640 0.03025 ++ {0.0} {} {584.h3'} 7.82383 0.02116 0.05726 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
94 {593.h1'} 6.38437 0.02037 0.02717 ++ {0.0} {} {594.h8} 7.89006 0.01715 0.02105 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
95 {587.h8} 4.50274 0.02285 0.03047 ++ {0.0} {} {587.h2'} 7.86393 0.02267 0.03023 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
96 {587.h8} 4.14135 0.01870 0.02493 ++ {0.0} {} {587.h3'} 7.86189 0.02267 0.03023 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
97 {588.h8} 4.40003 0.01865 0.02487 ++ {0.0} {} {588.h2'} 8.08594 0.00778 0.00809 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
98 {594.h6} 4.26413 0.04570 0.06094 ++ {0.0} {} {594.h3'} 7.93760 0.00994 0.01326 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
99 {595.h6} 4.55708 0.03532 0.04709 ++ {0.0} {} {595.h3'} 7.96886 0.02237 0.02983 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
100 {584.h2} 6.02455 0.00766 0.01021 ++ {0.0} {} {584.h1'} 7.50791 0.02105 0.02806 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
101 {597.h6} 5.74163 0.01203 0.01604 ++ {0.0} {} {597.h1'} 7.69872 0.03999 0.05332 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
102 {591.h2} 5.91506 0.01235 0.03414 ++ {0.0} {} {592.h1'} 8.11735 0.00869 0.01159 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
103 {588.h8} 5.88685 0.01686 0.02248 ++ {0.0} {} {587.h1'} 8.08362 0.00481 0.03747 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
104 {587.h2} 5.67645 0.03747 0.01628 ++ {0.0} {} {588.h1'} 7.89096 0.00961 0.01281 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
105 {588.h1'} 5.44845 0.02333 0.03050 ++ {0.0} {} {589.h8} 6.74215 0.00630 0.03728 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
106 {589.h1'} 5.45470 0.02333 0.03111 ++ {0.0} {} {589.h8} 6.64606 0.00893 0.01462 ++ {0.0} {} 0.0 0.0000 -1 {} 0 0 0
107 {591.h2} 6.01203 0.01833 0.02444 ++ {0.0} {} {591.h1'} 8.11863 0.00525 0.00700 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
108 {590.h8} 5.72639 0.04167 0.02757 ++ {0.0} {} {590.h1'} 7.87570 0.00525 0.01210 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
109 {582.h8} 4.84169 0.02975 0.03966 ++ {0.0} {} {582.h3'} 8.25858 0.01180 0.01573 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
110 {587.h1'} 4.49631 0.02481 0.03308 ++ {0.0} {} {587.h2'} 5.87431 0.00739 0.00986 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
111 {588.h1'} 3.97628 0.02116 0.02822 ++ {0.0} {} {588.h3'} 5.67183 0.00622 0.00829 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
112 {588.h1'} 4.15970 0.02419 0.03225 ++ {0.0} {} {588.h4'} 5.67183 0.00746 0.00995 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
113 {591.h1'} 4.79256 0.02859 0.03813 ++ {0.0} {} {591.h2'} 6.00436 0.01083 0.01444 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
114 {591.h8} 4.90767 0.02206 0.02942 ++ {0.0} {} {591.h3'} 8.34903 0.00404 0.00538 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
115 {591.h8} 4.80144 0.02084 0.02778 ++ {0.0} {} {591.h2'} 8.34903 0.00269 0.00359 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
116 {591.h1'} 4.91112 0.03135 0.04181 ++ {0.0} {} {591.h3'} 6.00469 0.01168 0.01558 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
117 {593.h6} 4.93531 0.04905 0.06540 ++ {0.0} {} {592.h2'} 7.93477 0.01093 0.01457 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
118 {592.h8} 4.38508 0.02803 0.03737 ++ {0.0} {} {592.h3'} 7.99528 0.00753 0.01005 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
119 {587.h2} 5.51295 0.02429 0.03239 ++ {0.0} {} {593.h1'} 7.88547 0.00823 0.01098 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
120 {588.h2} 6.01352 0.01716 0.02288 ++ {0.0} {} {591.h1'} 8.03110 0.00872 0.01163 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
121 {595.h6} 5.70068 0.01768 0.02357 ++ {0.0} {} {596.h5} 7.96542 0.00537 0.00716 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
122 {582.h8} 4.35346 0.04445 0.05927 ++ {0.0} {} {582.h4'} 8.25899 0.01033 0.01377 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
123 {582.h8} 4.51275 0.01667 0.02223 ++ {0.0} {} {582.h5'} 8.25899 0.00517 0.00689 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
124 {585.h8} 4.08906 0.05557 0.07409 ++ {0.0} {} {585.h4'} 7.12777 0.01550 0.02066 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
125 {587.h1'} 4.40570 0.01948 0.02597 ++ {0.0} {} {587.h4'} 5.87723 0.00292 0.00390 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
126 {587.h1'} 4.12435 0.03525 0.04699 ++ {0.0} {} {587.h3'} 5.87723 0.00748 0.00997 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
127 {590.h8} 4.07786 0.04807 0.06410 ++ {0.0} {} {590.h2'} 7.87697 0.01048 0.01397 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
128 {590.h2'} 4.07786 0.03044 0.04059 ++ {0.0} {} {586.h1'} 5.71029 0.00595 0.00793 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
129 {590.h8} 4.75805 0.03434 0.04578 ++ {0.0} {} {590.h3'} 7.87584 0.00638 0.00851 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
130 {593.h1'} 4.46688 0.02807 0.03743 ++ {0.0} {} {593.h3'} 5.50068 0.01032 0.01377 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
131 {592.h8} 4.92867 0.04925 0.06567 ++ {0.0} {} {592.h1'} 7.99767 0.00916 0.01221 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
132 {593.h6} 4.38575 0.02910 0.03881 ++ {0.0} {} {592.h3'} 7.93163 0.00791 0.01054 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
133 {597.h6} 4.25147 0.04053 0.05405 ++ {0.0} {} {597.h2'} 7.69864 0.00700 0.00933 ++ {0.0} {} 0.0 0.0000 0 {} 0 0 0
134 {591.h8} 8.35728 0.01362 0.02031 ++ {0.0} {} {591.h8} 8.35727 0.03139 0.05800 ++ {0.0} {} 0.0 316.0770 0 {} 0 0 0
135 {582.h8} 8.26157 0.01611 0.06046 ++ {0.0} {} {582.h8} 8.26090 0.02301 0.05331 ++ {0.0} {} 0.0 325.8650 0 {} 0 0 0
136 {591.h2} 8.12105 0.01473 0.06012 ++ {0.0} {} {591.h2} 8.11995 0.03114 0.05936 ++ {0.0} {} 0.0 258.4870 0 {} 0 0 0
137 {588.h8} 8.08801 0.02192 0.05629 ++ {0.0} {} {588.h8} 8.08748 0.02807 0.06070 ++ {0.0} {} 0.0 201.5790 0 {} 0 0 0
138 {588.h2} 8.03380 0.01983 0.05416 ++ {0.0} {} {588.h2} 8.03289 0.03320 0.06002 ++ {0.0} {} 0.0 382.8420 0 {} 0 0 0
139 {592.h8} 8.00026 0.01563 0.05456 ++ {0.0} {} {} 7.99979 0.03256 0.05936 ++ {0.0} {} 0.0 314.2650 0 {} 0 0 0
140 {595.h6} 7.96780 0.03116 0.05294 ++ {0.0} {} {595.h6} 7.96623 0.03518 0.06157 ++ {0.0} {} 0.0 115.9710 0 {} 0 0 0
141 {593.h6} 7.93302 0.02966 0.05716 ++ {0.0} {} {593.h6} 7.93194 0.03399 0.06142 ++ {0.0} {} 0.0 260.8470 0 {} 0 0 0
142 {594.h6} 7.93302 0.02966 0.05716 ++ {0.0} {} {594.h6} 7.93194 0.03399 0.06142 ++ {0.0} {} 0.0 260.8470 0 {} 0 0 0
143 {596.h6} 7.91761 0.02798 0.06158 ++ {0.0} {} {596.h6} 7.91375 0.03401 0.06049 ++ {0.0} {} 0.0 431.9240 0 {} 0 0 0
144 {587.h2} 7.87828 0.02798 0.06158 ++ {0.0} {} {587.h2} 7.88025 0.03401 0.06049 ++ {0.0} {} 0.0 431.9240 0 {} 0 0 0
145 {590.h8} 7.86789 0.02798 0.06158 ++ {0.0} {} {590.h8} 7.86718 0.03401 0.06049 ++ {0.0} {} 0.0 431.9240 0 {} 0 0 0
146 {584.h8} 7.82866 0.02798 0.06158 ++ {0.0} {} {584.h8} 7.83187 0.03401 0.06049 ++ {0.0} {} 0.0 431.9240 0 {} 0 0 0
147 {597.h6} 7.69805 0.02281 0.05428 ++ {0.0} {} {597.h6} 7.69767 0.02364 0.05201 ++ {0.0} {} 0.0 130.6500 0 {} 0 0 0
148 {583.h8} 7.65978 0.01613 0.04862 ++ {0.0} {} {583.h8} 7.65879 0.03061 0.05795 ++ {0.0} {} 0.0 158.3380 0 {} 0 0 0
149 {589.h8} 7.62298 0.01684 0.05086 ++ {0.0} {} {589.h8} 7.62292 0.03286 0.05785 ++ {0.0} {} 0.0 163.7960 0 {} 0 0 0
150 {584.h2} 7.50901 0.01519 0.04906 ++ {0.0} {} {584.h2} 7.50857 0.02328 0.04991 ++ {0.0} {} 0.0 116.6180 0 {} 0 0 0
151 {586.h8} 7.18152 0.01813 0.04979 ++ {0.0} {} {586.h8} 7.18063 0.02990 0.05752 ++ {0.0} {} 0.0 104.0220 0 {} 0 0 0
152 {585.h8} 7.13056 0.01845 0.05290 ++ {0.0} {} {585.h8} 7.13036 0.02719 0.05604 ++ {0.0} {} 0.0 106.3560 0 {} 0 0 0
153 {591.h1'} 6.01049 0.02132 0.05402 ++ {0.0} {} {591.h1'} 6.00801 0.02435 0.05555 ++ {0.0} {} 0.0 276.0030 0 {} 0 0 0
154 {584.h1'} 6.01682 0.02132 0.05402 ++ {0.0} {} {584.h1'} 6.01354 0.02435 0.05555 ++ {0.0} {} 0.0 276.0030 0 {} 0 0 0
155 {583.h1'} 5.94616 0.02320 0.05484 ++ {0.0} {} {583.h1'} 5.94214 0.02326 0.05411 ++ {0.0} {} 0.0 370.2050 0 {} 0 0 0
156 {592.h1'} 5.91001 0.02999 0.06140 ++ {0.0} {} {592.h1'} 5.90306 0.02617 0.05887 ++ {0.0} {} 0.0 360.7320 0 {} 0 0 0
157 {587.h1'} 5.87563 0.02245 0.05832 ++ {0.0} {} {587.h1'} 5.87600 0.02622 0.05882 ++ {0.0} {} 0.0 360.2900 0 {} 0 0 0
158 {582.h1'} 5.85602 0.00818 0.00767 ++ {0.0} {} {582.h1'} 5.86424 0.01542 0.01405 ++ {0.0} {} 0.0 0.6687 0 {} 0 0 0
159 {597.h1'} 5.72954 0.00818 0.00767 ++ {0.0} {} {597.h1'} 5.73368 0.01542 0.01405 ++ {0.0} {} 0.0 0.6687 0 {} 0 0 0
160 {586.h1'} 5.72894 0.02677 0.05875 ++ {0.0} {} {586.h1'} 5.72249 0.02452 0.05647 ++ {0.0} {} 0.0 462.6820 0 {} 0 0 0
161 {590.h1'} 5.72286 0.01729 0.05814 ++ {0.0} {} {590.h1'} 5.71443 0.02739 0.05888 ++ {0.0} {} 0.0 234.1920 0 {} 0 0 0
162 {588.h1'} 5.67541 0.02534 0.05776 ++ {0.0} {} {588.h1'} 5.67527 0.03408 0.06100 ++ {0.0} {} 0.0 359.1740 0 {} 0 0 0
163 {585.h1'} 5.63988 0.01729 0.05685 ++ {0.0} {} {585.h1'} 5.64067 0.03305 0.06012 ++ {0.0} {} 0.0 223.6820 0 {} 0 0 0
164 {596.h1'} 5.59216 0.01729 0.05814 ++ {0.0} {} {596.h1'} 5.59179 0.02739 0.05888 ++ {0.0} {} 0.0 234.1920 0 {} 0 0 0
165 {595.h1'} 5.55249 0.02198 0.05794 ++ {0.0} {} {595.h1'} 5.55263 0.02912 0.05969 ++ {0.0} {} 0.0 244.6510 0 {} 0 0 0
166 {594.h1'} 5.50422 0.02063 0.05662 ++ {0.0} {} {594.h1'} 5.50489 0.03089 0.05895 ++ {0.0} {} 0.0 258.9090 0 {} 0 0 0
167 {593.h1'} 5.50422 0.02063 0.05662 ++ {0.0} {} {593.h1'} 5.50489 0.03089 0.05895 ++ {0.0} {} 0.0 258.9090 0 {} 0 0 0
168 {589.h1'} 5.44714 0.02165 0.06676 ++ {0.0} {} {589.h1'} 5.44921 0.02723 0.05936 ++ {0.0} {} 0.0 264.3960 0 {} 0 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 H . . 7002.80078125 Hz . . . 4.706 . . 30817 1
2 . . H 1 H . . 7002.80078125 Hz . . . 4.706 . . 30817 1
stop_
save_