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 34755
_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 4
_Spectral_peak_list.Experiment_name '2D 1H-1H 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
H H1
Pep-8076_120-NOESY.nv
7183.90820313 6001.328125
600.130004883 600.130004883
H.L H.P H.W H.B H.E H.J H.U H1.L H1.P H1.W H1.B H1.E H1.J H1.U vol int stat comment flag0
0 {V23.H} 8.07998 0.02486 0.04149 ++ {0.0} {} {V23.HA} 4.06853 0.03311 0.05876 ++ {0.0} {} 0.0 17.9565 0 {} 0
1 {V23.H} 8.07772 0.02383 0.03990 ++ {0.0} {} {V23.HB} 2.06236 0.04515 0.07907 ++ {0.0} {} 0.0 18.6739 0 {} 0
2 {V23.H} 8.07411 0.02450 0.04822 ++ {0.0} {} {V23.HG21} 0.86552 0.03148 0.06064 ++ {0.0} {} 0.0 26.3831 0 {} 0
3 {V23.H} 8.07533 0.02654 0.03016 ++ {0.0} {} {N22.HB2} 2.68560 0.04863 0.05730 ++ {0.0} {} 0.0 5.8782 0 {} 0
4 {V23.H} 8.07757 0.02364 0.02814 ++ {0.0} {} {N22.HB3} 2.76771 0.04141 0.05017 ++ {0.0} {} 0.0 6.1192 0 {} 0
5 {V23.H} 8.07750 0.02635 0.05695 ++ {0.0} {} {N22.HA} 4.66313 0.03691 0.07734 ++ {0.0} {} 0.0 51.0406 0 {} 0
6 {N22.H} 8.44138 0.02574 0.04878 ++ {0.0} {} {N22.HA} 4.66320 0.03764 0.07365 ++ {0.0} {} 0.0 32.3483 0 {} 0
7 {N22.H} 8.44241 0.02433 0.03630 ++ {0.0} {} {N22.HB3} 2.76751 0.03990 0.05926 ++ {0.0} {} 0.0 12.1469 0 {} 0
8 {N22.H} 8.44184 0.02450 0.03772 ++ {0.0} {} {N22.HB2} 2.68539 0.04794 0.07206 ++ {0.0} {} 0.0 14.7382 0 {} 0
9 {N22.H} 8.44178 0.02600 0.04263 ++ {0.0} {} {V23.H} 8.09769 0.03307 0.05373 ++ {0.0} {} 0.0 13.9294 0 {} 0
10 {V23.H} 8.07758 0.02391 0.03636 ++ {0.0} {} {N22.H} 8.46359 0.03290 0.05282 ++ {0.0} {} 0.0 12.9731 0 {} 0
11 {V23.H} 8.07743 0.02431 0.04103 ++ {0.0} {} {E24.H} 8.37535 0.03326 0.06463 ++ {0.0} {} 0.0 17.8973 0 {} 0
12 {E24.H} 8.35336 0.02510 0.04823 ++ {0.0} {} {V23.H} 8.09785 0.03402 0.06210 ++ {0.0} {} 0.0 19.9647 0 {} 0
13 {E24.H} 8.35167 0.02012 0.02217 ++ {0.0} {} {E24.HG3} 2.23616 0.04580 0.05210 ++ {0.0} {} 0.0 5.0620 0 {} 0
14 {E24.H} 8.35540 0.03206 0.04345 ++ {0.0} {} {E24.HB3} 1.89754 0.05657 0.09289 ++ {0.0} {} 0.0 12.0496 0 {} 0
15 {} 8.37617 0.02908 0.05857 ++ {0.0} {} {} 2.03360 0.05133 0.08737 ++ {0.0} {} 0.0 15.4214 0 {} 0
16 {E24.H} 8.35325 0.02397 0.04874 ++ {0.0} {} {V23.HA} 4.06823 0.03370 0.06881 ++ {0.0} {} 0.0 42.3612 0 {} 0
17 {E24.H} 8.35486 0.02598 0.05465 ++ {0.0} {} {E24.HA} 4.19123 0.03992 0.07168 ++ {0.0} {} 0.0 17.5435 0 {} 0
18 {Q21.H} 8.37617 0.02908 0.05857 ++ {0.0} {} {Q21.HB3} 2.03360 0.05133 0.08737 ++ {0.0} {} 0.0 15.4214 0 {} 0
19 {Q21.H} 8.37582 0.02669 0.05637 ++ {0.0} {} {Q21.HB2} 1.93379 0.05236 0.09526 ++ {0.0} {} 0.0 19.2707 0 {} 0
20 {Q21.H} 8.37586 0.02537 0.04077 ++ {0.0} {} {Q21.HG2} 2.30671 0.04011 0.07012 ++ {0.0} {} 0.0 15.1827 0 {} 0
21 {Q21.H} 8.37628 0.02584 0.08595 ++ {0.0} {} {Q21.HA} 4.26432 0.03823 0.09008 ++ {0.0} {} 0.0 78.7160 0 {} 0
22 {N22.H} 8.44206 0.02566 0.07975 ++ {0.0} {} {Q21.HA} 4.26660 0.03806 0.08191 ++ {0.0} {} 0.0 57.8067 0 {} 0
23 {N22.H} 8.44276 0.02385 0.02790 ++ {0.0} {} {Q21.HG2} 2.30593 0.03838 0.04580 ++ {0.0} {} 0.0 5.5354 0 {} 0
24 {N22.H} 8.44205 0.02592 0.03672 ++ {0.0} {} {Q21.HB3} 2.03577 0.05120 0.07248 ++ {0.0} {} 0.0 8.9056 0 {} 0
25 {N22.H} 8.44304 0.02555 0.03515 ++ {0.0} {} {Q21.HB2} 1.93546 0.04979 0.06590 ++ {0.0} {} 0.0 7.3793 0 {} 0
26 {N22.H} 8.44184 0.03320 0.05465 ++ {0.0} {} {Q21.H} 8.39817 0.04888 0.06982 ++ {0.0} {} 0.0 20.7148 0 {} 0
27 {Q21.H} 8.37766 0.03264 0.07259 ++ {0.0} {} {N22.H} 8.46328 0.04888 0.06982 ++ {0.0} {} 0.0 18.7322 0 {} 0
28 {Q21.H} 8.37589 0.02891 0.11106 ++ {0.0} {} {K20.H} 8.27304 0.04101 0.10205 ++ {0.0} {} 0.0 20.5706 0 {} 0
29 {K20.H} 8.25124 0.02827 0.09966 ++ {0.0} {} {Q21.H} 8.39836 0.03773 0.10205 ++ {0.0} {} 0.0 19.3884 0 {} 0
30 {K20.H} 8.25111 0.02642 0.06777 ++ {0.0} {} {K20.HA} 4.26311 0.03880 0.08664 ++ {0.0} {} 0.0 34.1676 0 {} 0
31 {Q21.H} 8.37614 0.02629 0.04036 ++ {0.0} {} {K20.HB3} 1.79810 0.05425 0.08610 ++ {0.0} {} 0.0 11.3346 0 {} 0
32 {K20.H} 8.25132 0.02762 0.06514 ++ {0.0} {} {K20.HB3} 1.79723 0.05902 0.10689 ++ {0.0} {} 0.0 19.5441 0 {} 0
33 {K20.H} 8.25156 0.02889 0.13134 ++ {0.0} {} {K20.HB2} 1.70628 0.05910 0.12207 ++ {0.0} {} 0.0 23.8507 0 {} 0
34 {Q21.H} 8.37624 0.02702 0.04429 ++ {0.0} {} {K20.HB2} 1.70640 0.05875 0.10742 ++ {0.0} {} 0.0 10.5753 0 {} 0
35 {Q21.H} 8.37585 0.02779 0.02939 ++ {0.0} {} {K20.HD2} 1.63403 0.02376 0.05603 ++ {0.0} {} 0.0 4.6723 0 {} 0
36 {K20.H} 8.25268 0.02901 0.04489 ++ {0.0} {} {K20.HD2} 1.63429 0.04136 0.05908 ++ {0.0} {} 0.0 7.1600 0 {} 0
37 {K20.H} 8.25135 0.02599 0.04646 ++ {0.0} {} {K20.HG2} 1.38521 0.05610 0.10475 ++ {0.0} {} 0.0 14.4175 0 {} 0
38 {Q21.H} 8.37607 0.02483 0.03149 ++ {0.0} {} {K20.HG2} 1.38487 0.05454 0.07236 ++ {0.0} {} 0.0 6.9278 0 {} 0
39 {K20.H} 8.25176 0.02923 0.08144 ++ {0.0} {} {G19.H} 8.04879 0.04290 0.12620 ++ {0.0} {} 0.0 22.2688 0 {} 0
40 {G19.H} 8.02810 0.03350 0.11289 ++ {0.0} {} {K20.H} 8.27491 0.04439 0.11237 ++ {0.0} {} 0.0 21.7799 0 {} 0
41 {K20.H} 8.25116 0.02899 0.05386 ++ {0.0} {} {G19.HA2} 3.94979 0.04542 0.20086 ++ {0.0} {} 0.0 62.2370 0 {} 0
42 {G19.H} 8.02820 0.03309 0.16819 ++ {0.0} {} {G19.HA2} 3.94977 0.04599 0.18799 ++ {0.0} {} 0.0 63.3369 0 {} 0
43 {G19.H} 8.02781 0.03826 0.05465 ++ {0.0} {} {H18.HA} 4.56194 0.04045 0.07524 ++ {0.0} {} 0.0 20.4365 0 {} 0
44 {H18.H} 7.98872 0.03826 0.05465 ++ {0.0} {} {H18.HA} 4.56206 0.04121 0.07415 ++ {0.0} {} 0.0 18.5710 0 {} 0
45 {G19.H} 8.02718 0.02925 0.04179 ++ {0.0} {} {H18.HB3} 2.86292 0.05528 0.08381 ++ {0.0} {} 0.0 10.0468 0 {} 0
46 {H18.H} 7.98892 0.04182 0.05974 ++ {0.0} {} {H18.HB3} 2.86327 0.05678 0.09096 ++ {0.0} {} 0.0 11.7867 0 {} 0
47 {G19.H} 8.02231 0.03826 0.04262 ++ {0.0} {} {H18.HB2} 3.20990 0.06130 0.11383 ++ {0.0} {} 0.0 17.0251 0 {} 0
48 {H18.H} 7.99314 0.03375 0.04822 ++ {0.0} {} {H18.HB2} 3.20739 0.05801 0.10495 ++ {0.0} {} 0.0 15.6054 0 {} 0
49 {G19.H} 8.02536 0.04276 0.06108 ++ {0.0} {} {H18.H} 8.01173 0.06033 0.15105 ++ {0.0} {} 0.0 30.2037 0 {} 0
50 {H18.H} 7.99012 0.04276 0.06108 ++ {0.0} {} {G19.H} 8.04356 0.06033 0.15105 ++ {0.0} {} 0.0 30.2037 0 {} 0
51 {H18.HD2} 6.96474 0.01624 0.03150 ++ {0.0} {} {H18.HB3} 2.86398 0.05743 0.10523 ++ {0.0} {} 0.0 18.7999 0 {} 0
52 {H18.HD2} 6.96481 0.01621 0.03359 ++ {0.0} {} {H18.HB2} 3.20167 0.05460 0.11531 ++ {0.0} {} 0.0 20.7728 0 {} 0
53 {H18.HD2} 6.96482 0.01630 0.03309 ++ {0.0} {} {H18.HA} 4.56213 0.04161 0.07745 ++ {0.0} {} 0.0 20.7527 0 {} 0
54 {H18.HD2} 6.96479 0.01609 0.02248 ++ {0.0} {} {G19.HA2} 3.94877 0.04806 0.07778 ++ {0.0} {} 0.0 7.8612 0 {} 0
55 {G19.H} 8.02690 0.02475 0.03536 ++ {0.0} {} {H18.HD2} 6.98775 0.03019 0.04145 ++ {0.0} {} 0.0 7.8668 0 {} 0
56 {H18.H} 7.98843 0.01691 0.06352 ++ {0.0} {} {H18.HD2} 6.98804 0.03007 0.04864 ++ {0.0} {} 0.0 12.7700 0 {} 0
57 {H18.HD2} 6.96616 0.01624 0.03302 ++ {0.0} {} {G19.H} 8.04667 0.05133 0.11217 ++ {0.0} {} 0.0 21.6091 0 {} 0
58 {H18.HD2} 6.96474 0.01624 0.03302 ++ {0.0} {} {H18.H} 8.01121 0.05133 0.11217 ++ {0.0} {} 0.0 21.6091 0 {} 0
59 {I17.H} 7.59000 0.03572 0.07742 ++ {0.0} {} {I17.HA} 3.83575 0.05801 0.12137 ++ {0.0} {} 0.0 13.3713 0 {} 0
60 {H18.H} 7.99038 0.04326 0.17144 ++ {0.0} {} {I17.HA} 3.83664 0.05698 0.17725 ++ {0.0} {} 0.0 32.7256 0 {} 0
61 {I17.H} 7.58957 0.03580 0.06499 ++ {0.0} {} {I17.HB} 1.72946 0.06622 0.11855 ++ {0.0} {} 0.0 10.5467 0 {} 0
62 {H18.H} 7.98995 0.04276 0.06108 ++ {0.0} {} {I17.HB} 1.72420 0.06525 0.10391 ++ {0.0} {} 0.0 12.1704 0 {} 0
63 {H18.H} 7.98870 0.05145 0.07349 ++ {0.0} {} {I17.HG21} 0.60231 0.03634 0.06997 ++ {0.0} {} 0.0 19.2767 0 {} 0
64 {H18.H} 7.98880 0.01646 0.05769 ++ {0.0} {} {I17.H} 7.61082 0.04717 0.08155 ++ {0.0} {} 0.0 9.3786 0 {} 0
65 {I17.H} 7.58925 0.03414 0.06004 ++ {0.0} {} {H18.H} 8.00996 0.04907 0.07608 ++ {0.0} {} 0.0 9.3628 0 {} 0
66 {I17.H} 7.58953 0.03675 0.07818 ++ {0.0} {} {I17.HG21} 0.60206 0.03656 0.06474 ++ {0.0} {} 0.0 17.0578 0 {} 0
67 {I17.H} 7.58969 0.03640 0.07130 ++ {0.0} {} {I17.HD11} 0.74153 0.04295 0.07457 ++ {0.0} {} 0.0 16.1164 0 {} 0
68 {I17.H} 7.58987 0.03661 0.04115 ++ {0.0} {} {I17.HG13} 1.09440 0.05674 0.06257 ++ {0.0} {} 0.0 6.1257 0 {} 0
69 {I17.H} 7.58911 0.03279 0.03535 ++ {0.0} {} {I17.HG12} 1.44000 0.05574 0.05937 ++ {0.0} {} 0.0 5.7830 0 {} 0
70 {H18.H} 7.98909 0.01714 0.04141 ++ {0.0} {} {I17.HG12} 1.43250 0.05952 0.06678 ++ {0.0} {} 0.0 6.0581 0 {} 0
71 {H18.H} 7.99070 0.01970 0.05209 ++ {0.0} {} {I17.HG13} 1.09498 0.05961 0.07192 ++ {0.0} {} 0.0 6.9753 0 {} 0
72 {H18.H} 7.98951 0.03732 0.07197 ++ {0.0} {} {I17.HD11} 0.74304 0.04199 0.07153 ++ {0.0} {} 0.0 16.1608 0 {} 0
73 {I17.H} 7.59028 0.03552 0.03108 ++ {0.0} {} {L16.H} 7.71277 0.04764 0.04195 ++ {0.0} {} 0.0 4.6368 0 {} 0
74 {L16.H} 7.69145 0.03692 0.03549 ++ {0.0} {} {I17.H} 7.60940 0.05020 0.04816 ++ {0.0} {} 0.0 5.0886 0 {} 0
75 {I17.H} 7.59012 0.03700 0.06474 ++ {0.0} {} {L16.HA} 4.17087 0.04064 0.05958 ++ {0.0} {} 0.0 11.0376 0 {} 0
76 {L16.H} 7.69129 0.03510 0.07114 ++ {0.0} {} {L16.HA} 4.17069 0.04092 0.06801 ++ {0.0} {} 0.0 16.8877 0 {} 0
77 {L16.H} 7.69062 0.03572 0.06821 ++ {0.0} {} {I17.HA} 3.83575 0.05801 0.10412 ++ {0.0} {} 0.0 13.3713 -1 {} 0
78 {I17.H} 7.59036 0.03193 0.02655 ++ {0.0} {} {L16.HB2} 1.57206 0.05744 0.04810 ++ {0.0} {} 0.0 4.2993 0 {} 0
79 {I17.H} 7.58888 0.03367 0.02591 ++ {0.0} {} {L16.HB3} 1.83545 0.05909 0.04543 ++ {0.0} {} 0.0 4.1922 0 {} 0
80 {L16.H} 7.69075 0.03478 0.04168 ++ {0.0} {} {L16.HB3} 1.83504 0.06275 0.07193 ++ {0.0} {} 0.0 6.6025 0 {} 0
81 {L16.H} 7.69119 0.03283 0.03975 ++ {0.0} {} {L16.HB2} 1.57066 0.05893 0.06797 ++ {0.0} {} 0.0 6.6656 0 {} 0
82 {L16.H} 7.69119 0.03283 0.03975 ++ {0.0} {} {L16.HG} 1.74348 0.05893 0.13896 ++ {0.0} {} 0.0 6.6656 0 {} 0
83 {I17.H} 7.58985 0.03658 0.09664 ++ {0.0} {} {L16.HD21} 0.85869 0.03731 0.07247 ++ {0.0} {} 0.0 20.7944 0 {} 0
84 {L16.H} 7.69130 0.03451 0.15109 ++ {0.0} {} {L16.HD21} 0.85809 0.03709 0.09209 ++ {0.0} {} 0.0 36.8656 0 {} 0
85 {L16.H} 7.69092 0.03369 0.04228 ++ {0.0} {} {G15.HA2} 3.83618 0.04128 0.05079 ++ {0.0} {} 0.0 5.4656 0 {} 0
86 {G15.H} 8.02546 0.04276 0.06108 ++ {0.0} {} {G15.HA2} 3.83535 0.03401 0.04888 ++ {0.0} {} 0.0 9.8797 0 {} 0
87 {L16.H} 7.69148 0.03414 0.06004 ++ {0.0} {} {G15.H} 8.01354 0.04907 0.07608 ++ {0.0} {} 0.0 9.3628 0 {} 0
88 {G15.H} 8.02438 0.02475 0.03536 ++ {0.0} {} {L16.H} 7.71885 0.04657 0.05863 ++ {0.0} {} 0.0 5.8742 0 {} 0
89 {H11.H} 8.30556 0.07348 0.04986 ++ {0.0} {} {H11.HB3} 3.30205 0.07288 0.18103 ++ {0.0} {} 0.0 22.5224 0 {} 0
90 {H11.H} 8.30612 0.06995 0.05769 ++ {0.0} {} {H11.HB2} 3.22960 0.05640 0.07765 ++ {0.0} {} 0.0 13.7249 0 {} 0
91 {H14.H} 8.00485 0.04276 0.06687 ++ {0.0} {} {H14.HB2} 3.30077 0.06428 0.11839 ++ {0.0} {} 0.0 13.9927 0 {} 0
92 {} 8.02975 0.03375 0.04822 ++ {0.0} {} {} 3.20567 0.05801 0.10495 ++ {0.0} {} 0.0 15.6054 0 {} 0
93 {A12.H} 8.02406 0.03516 0.03820 ++ {0.0} {} {H11.H} 8.31000 0.02713 0.05507 ++ {0.0} {} 0.0 4.7448 0 {} 0
94 {H11.H} 8.28706 0.03826 0.05465 ++ {0.0} {} {A12.H} 8.04379 0.05873 0.14085 ++ {0.0} {} 0.0 11.1209 0 {} 0
95 {A12.H} 8.02721 0.04624 0.08348 ++ {0.0} {} {H11.HA} 4.38519 0.04227 0.06415 ++ {0.0} {} 0.0 9.5594 0 {} 0
96 {H11.H} 8.29283 0.06466 0.13823 ++ {0.0} {} {H11.HA} 4.38579 0.04147 0.07939 ++ {0.0} {} 0.0 19.8794 0 {} 0
97 {A12.H} 8.02757 0.04786 0.13431 ++ {0.0} {} {A12.HB1} 1.52850 0.04171 0.15891 ++ {0.0} {} 0.0 22.7563 0 {} 0
98 {A12.H} 8.02605 0.03375 0.04822 ++ {0.0} {} {A12.HA} 4.16924 0.04142 0.08926 ++ {0.0} {} 0.0 24.3157 0 {} 0
99 {I13.H} 8.31461 0.04304 0.21402 ++ {0.0} {} {A12.HA} 4.16960 0.04312 0.08601 ++ {0.0} {} 0.0 19.9409 0 {} 0
100 {I13.H} 8.30000 0.04738 0.09748 ++ {0.0} {} {I13.HA} 3.71092 0.03249 0.04914 ++ {0.0} {} 0.0 13.0636 0 {} 0
101 {I13.H} 8.29550 0.04329 0.08680 ++ {0.0} {} {I13.HB} 1.94584 0.05376 0.07194 ++ {0.0} {} 0.0 6.7478 0 {} 0
102 {I13.H} 8.30131 0.04023 0.05366 ++ {0.0} {} {I13.HG12} 1.11050 0.06835 0.09287 ++ {0.0} {} 0.0 6.5188 0 {} 0
103 {I13.H} 8.28626 0.07239 0.04475 ++ {0.0} {} {I13.HG21} 0.84889 0.04713 0.08789 ++ {0.0} {} 0.0 39.9254 0 {} 0
104 {I13.H} 8.29480 0.05721 0.15752 ++ {0.0} {} {I13.HD11} 0.77000 0.05528 0.09131 ++ {0.0} {} 0.0 31.6759 0 {} 0
105 {I13.H} 8.29573 0.06095 0.05170 ++ {0.0} {} {A12.HB1} 1.52899 0.05883 0.19090 ++ {0.0} {} 0.0 24.6017 0 {} 0
106 {V9.H} 8.46324 0.03937 0.09352 ++ {0.0} {} {V9.HA} 3.71290 0.02942 0.04100 ++ {0.0} {} 0.0 8.5907 0 {} 0
107 {V9.H} 8.46489 0.03950 0.05798 ++ {0.0} {} {V9.HB} 2.19647 0.04749 0.05945 ++ {0.0} {} 0.0 6.1619 0 {} 0
108 {V9.H} 8.46431 0.04092 0.09352 ++ {0.0} {} {V9.HG21} 0.90894 0.03864 0.06583 ++ {0.0} {} 0.0 16.5585 0 {} 0
109 {G10.H} 8.53595 0.03724 0.05422 ++ {0.0} {} {G10.HA2} 3.59656 0.05624 0.07682 ++ {0.0} {} 0.0 7.1016 0 {} 0
110 {G10.H} 8.53717 0.04362 0.07962 ++ {0.0} {} {G10.HA3} 3.93628 0.06679 0.17217 ++ {0.0} {} 0.0 12.4418 0 {} 0
111 {G10.H} 8.53544 0.04020 0.06663 ++ {0.0} {} {V9.HA} 3.71357 0.02818 0.03490 ++ {0.0} {} 0.0 7.1961 0 {} 0
112 {G10.H} 8.53447 0.04470 0.06791 ++ {0.0} {} {H11.H} 8.32084 0.06840 0.11924 ++ {0.0} {} 0.0 8.0061 0 {} 0
113 {H11.H} 8.29877 0.06177 0.08425 ++ {0.0} {} {G10.H} 8.54825 0.05135 0.07266 ++ {0.0} {} 0.0 7.0326 0 {} 0
114 {H11.H} 8.29465 0.05687 0.08184 ++ {0.0} {} {G10.HA2} 3.59324 0.06180 0.09846 ++ {0.0} {} 0.0 8.1878 0 {} 0
115 {H11.H} 8.29064 0.02925 0.04179 ++ {0.0} {} {G10.HA3} 3.94931 0.06719 0.19993 ++ {0.0} {} 0.0 22.4216 0 {} 0
116 {G8.H} 8.39756 0.02925 0.04179 ++ {0.0} {} {G8.HA2} 3.93655 0.06719 0.18776 ++ {0.0} {} 0.0 22.4216 0 {} 0
117 {H7.H} 8.20679 0.04518 0.08591 ++ {0.0} {} {H7.HB2} 3.25766 0.08401 0.15395 ++ {0.0} {} 0.0 12.8562 0 {} 0
118 {G8.H} 8.29280 0.06995 0.14320 ++ {0.0} {} {H7.HB2} 3.26000 0.05640 0.08057 ++ {0.0} {} 0.0 13.7249 0 {} 0
119 {H7.H} 8.20674 0.02081 0.08395 ++ {0.0} {} {H7.HA} 4.38624 0.04040 0.06780 ++ {0.0} {} 0.0 12.7214 0 {} 0
120 {G8.H} 8.40024 0.06466 0.13823 ++ {0.0} {} {H7.HA} 4.39104 0.04147 0.07939 ++ {0.0} {} 0.0 19.8794 0 {} 0
121 {H7.H} 8.20971 0.01946 0.05437 ++ {0.0} {} {G8.H} 8.41428 0.02267 0.07434 ++ {0.0} {} 0.0 6.3853 0 {} 0
122 {G8.H} 8.39674 0.04296 0.06138 ++ {0.0} {} {H7.H} 8.23640 0.05434 0.08814 ++ {0.0} {} 0.0 9.2501 0 {} 0
123 {M4.H} 7.92517 0.02903 0.04507 ++ {0.0} {} {M4.HG3} 2.62702 0.04553 0.06119 ++ {0.0} {} 0.0 7.8316 0 {} 0
124 {M4.H} 7.92514 0.02897 0.04204 ++ {0.0} {} {M4.HG2} 2.44777 0.04527 0.05944 ++ {0.0} {} 0.0 7.0134 0 {} 0
125 {M4.H} 7.92536 0.03189 0.05238 ++ {0.0} {} {M4.HB3} 2.08426 0.05640 0.08057 ++ {0.0} {} 0.0 9.4778 0 {} 0
126 {M4.H} 7.92536 0.03053 0.05482 ++ {0.0} {} {M4.HE1} 1.99981 0.01941 0.06223 ++ {0.0} {} 0.0 10.7273 0 {} 0
127 {M4.H} 7.92636 0.03103 0.03819 ++ {0.0} {} {L5.H} 7.84010 0.04904 0.06121 ++ {0.0} {} 0.0 5.5679 0 {} 0
128 {L5.H} 7.81840 0.03910 0.04141 ++ {0.0} {} {M4.H} 7.94721 0.04187 0.04420 ++ {0.0} {} 0.0 4.5646 0 {} 0
129 {L5.H} 7.81851 0.03741 0.02781 ++ {0.0} {} {M4.HG3} 2.62724 0.04443 0.03345 ++ {0.0} {} 0.0 3.1742 0 {} 0
130 {L5.H} 7.82034 0.03175 0.02386 ++ {0.0} {} {M4.HG2} 2.44809 0.04093 0.03241 ++ {0.0} {} 0.0 3.2951 0 {} 0
131 {L5.H} 7.81952 0.03686 0.03643 ++ {0.0} {} {M4.HB3} 2.08505 0.03015 0.06573 ++ {0.0} {} 0.0 4.1960 0 {} 0
132 {L5.H} 7.81891 0.03795 0.04870 ++ {0.0} {} {M4.HE1} 1.99843 0.01903 0.04927 ++ {0.0} {} 0.0 6.0152 0 {} 0
133 {M4.H} 7.92601 0.03287 0.06488 ++ {0.0} {} {M4.HA} 4.20139 0.04540 0.07495 ++ {0.0} {} 0.0 11.9255 0 {} 0
134 {L5.H} 7.81872 0.03732 0.05602 ++ {0.0} {} {L5.HA} 4.01030 0.04442 0.06199 ++ {0.0} {} 0.0 7.4896 0 {} 0
135 {L5.H} 7.81873 0.03948 0.04867 ++ {0.0} {} {M4.HA} 4.20062 0.04675 0.05596 ++ {0.0} {} 0.0 5.4797 0 {} 0
136 {L5.H} 7.81898 0.03916 0.07619 ++ {0.0} {} {L5.HB2} 1.54253 0.07954 0.13914 ++ {0.0} {} 0.0 11.3962 0 {} 0
137 {L5.H} 7.81697 0.03916 0.07619 ++ {0.0} {} {L5.HB3} 1.60563 0.07954 0.13914 ++ {0.0} {} 0.0 11.3962 0 {} 0
138 {L5.H} 7.81894 0.03418 0.03812 ++ {0.0} {} {L5.HD11} 0.90304 0.01894 0.04253 ++ {0.0} {} 0.0 4.8941 0 {} 0
139 {L5.H} 7.81921 0.04063 0.09690 ++ {0.0} {} {L5.HD21} 0.83939 0.04888 0.06982 ++ {0.0} {} 0.0 14.9498 0 {} 0
140 {M4.H} 7.92582 0.03327 0.03382 ++ {0.0} {} {G3.H} 8.85756 0.06797 0.06904 ++ {0.0} {} 0.0 4.3340 0 {} 0
141 {G3.H} 8.83741 0.06202 0.05119 ++ {0.0} {} {M4.H} 7.94766 0.04304 0.03634 ++ {0.0} {} 0.0 3.5024 0 {} 0
142 {G3.H} 8.83910 0.05961 0.07297 ++ {0.0} {} {G3.HA2} 3.92708 0.05862 0.07182 ++ {0.0} {} 0.0 5.7784 0 {} 0
143 {G3.H} 8.83782 0.05367 0.05767 ++ {0.0} {} {G3.HA3} 3.57697 0.06273 0.06647 ++ {0.0} {} 0.0 4.6719 0 {} 0
144 {M4.H} 7.92488 0.02746 0.03370 ++ {0.0} {} {G3.HA3} 3.57631 0.06307 0.07464 ++ {0.0} {} 0.0 5.8942 0 {} 0
145 {M4.H} 7.92616 0.03473 0.05410 ++ {0.0} {} {G3.HA2} 3.93404 0.06918 0.12354 ++ {0.0} {} 0.0 8.7617 0 {} 0
146 {G3.H} 8.83308 0.04468 0.05486 ++ {0.0} {} {L2.HB3} 1.72364 0.05039 0.06901 ++ {0.0} {} 0.0 2.6059 0 {} 0
147 {G3.H} 8.83105 0.04276 0.06117 ++ {0.0} {} {L2.HB2} 1.56960 0.08625 0.10841 ++ {0.0} {} 0.0 2.9686 0 {} 0
148 {G3.H} 8.83110 0.01313 0.02645 ++ {0.0} {} {L2.HA} 3.82761 0.03387 0.03133 ++ {0.0} {} 0.0 1.5612 0 {} 0
149 {G3.H} 8.83105 0.04276 0.06117 ++ {0.0} {} {L2.HB2} 1.56960 0.08625 0.10841 ++ {0.0} {} 0.0 2.9686 0 {} 0
150 {G3.H} 8.83354 0.04706 0.07436 ++ {0.0} {} {L2.HD11} 0.79396 0.01666 0.04516 ++ {0.0} {} 0.0 2.7260 0 {} 0
151 {G3.H} 8.83715 0.06264 0.10778 ++ {0.0} {} {L2.HD21} 0.85195 0.03818 0.08057 ++ {0.0} {} 0.0 6.8388 0 {} 0
152 {V9.H} 8.46000 0.04276 0.06108 ++ {0.0} {} {G8.H} 8.31000 0.05912 0.08057 ++ {0.0} {} 0.0 3.9188 0 {} 0
153 {G8.H} 8.29442 0.05810 0.12538 ++ {0.0} {} {V9.H} 8.48565 0.06152 0.08789 ++ {0.0} {} 0.0 6.7218 0 {} 0
154 {H7.H} 8.20924 0.04439 0.05008 ++ {0.0} {} {L6.HA} 3.94872 0.05408 0.06459 ++ {0.0} {} 0.0 2.6745 0 {} 0
155 {L6.H} 8.29247 0.04439 0.05008 ++ {0.0} {} {L6.HA} 3.94242 0.05408 0.06459 ++ {0.0} {} 0.0 2.6745 0 {} 0
156 {H7.H} 8.20668 0.04726 0.06751 ++ {0.0} {} {L6.HB2} 1.50000 0.08754 0.16905 ++ {0.0} {} 0.0 5.9005 0 {} 0
157 {H7.H} 8.20629 0.04020 0.10310 ++ {0.0} {} {L6.HD21} 0.79091 0.04136 0.10264 ++ {0.0} {} 0.0 14.1275 0 {} 0
158 {H7.H} 8.20866 0.04063 0.05570 ++ {0.0} {} {L6.HD11} 0.85321 0.04888 0.03740 ++ {0.0} {} 0.0 14.9498 0 {} 0
159 {I13.H} 8.29676 0.07239 0.03997 ++ {0.0} {} {I13.HG21} 0.86726 0.04713 0.08789 ++ {0.0} {} 0.0 39.9254 0 {} 0
160 {L6.H} 8.29480 0.05721 0.15752 ++ {0.0} {} {L6.HD21} 0.78861 0.05528 0.09131 ++ {0.0} {} 0.0 31.6759 0 {} 0
161 {L6.H} 8.29573 0.06095 0.09226 ++ {0.0} {} {L5.HB2} 1.52899 0.05883 0.04988 ++ {0.0} {} 0.0 24.6017 0 {} 0
162 {L6.H} 8.29622 0.02292 0.02219 ++ {0.0} {} {L5.HB3} 1.61571 0.04245 0.04111 ++ {0.0} {} 0.0 1.0561 0 {} 0
163 {L6.H} 8.30072 0.02292 0.02219 ++ {0.0} {} {L6.HB2} 1.48100 0.04245 0.04111 ++ {0.0} {} 0.0 1.0561 0 {} 0
164 {L6.H} 8.29358 0.03855 0.08680 ++ {0.0} {} {L5.HA} 4.00305 0.05234 0.08178 ++ {0.0} {} 0.0 16.1251 0 {} 0
165 {H7.H} 8.20668 0.04726 0.06751 ++ {0.0} {} {L6.HG} 1.54000 0.08754 0.20017 ++ {0.0} {} 0.0 5.9005 0 {} 0
166 {H7.H} 8.20299 0.04790 0.07795 ++ {0.0} {} {L6.HB3} 1.75000 0.03549 0.06226 ++ {0.0} {} 0.0 4.4597 0 {} 0
167 {L6.H} 8.29272 0.03909 0.09358 ++ {0.0} {} {L5.H} 7.83928 0.04985 0.15576 ++ {0.0} {} 0.0 4.0710 0 {} 0
168 {L5.H} 7.81995 0.03968 0.06764 ++ {0.0} {} {L6.H} 8.31786 0.03908 0.07567 ++ {0.0} {} 0.0 3.4978 0 {} 0
169 {L6.H} 8.29423 0.07329 0.14613 ++ {0.0} {} {L6.HB3} 1.74297 0.07257 0.20947 ++ {0.0} {} 0.0 16.7886 0 {} 0
170 {L6.H} 8.29862 0.04158 0.05510 ++ {0.0} {} {H7.H} 8.22000 0.04828 0.07591 ++ {0.0} {} 0.0 2.0309 0 {} 0
171 {H7.H} 8.20070 0.04158 0.05510 ++ {0.0} {} {L6.H} 8.30918 0.04828 0.06871 ++ {0.0} {} 0.0 2.0309 0 {} 0
172 {G8.H} 8.39390 0.05524 0.07891 ++ {0.0} {} {G8.HA3} 3.86956 0.02340 0.02750 ++ {0.0} {} 0.0 4.3876 0 {} 0
173 {V9.H} 8.46368 0.06342 0.09060 ++ {0.0} {} {G8.HA2} 3.94369 0.06424 0.20794 ++ {0.0} {} 0.0 13.8735 0 {} 0
174 {V9.H} 8.46200 0.06342 0.09060 ++ {0.0} {} {G8.HA3} 3.86751 0.06424 0.20794 ++ {0.0} {} 0.0 13.8735 0 {} 0
175 {H11.H} 8.30000 0.07348 0.06210 ++ {0.0} {} {H11.HB3} 3.29979 0.07288 0.18103 ++ {0.0} {} 0.0 22.5224 0 {} 0
176 {H11.H} 8.30000 0.06995 0.03524 ++ {0.0} {} {H11.HB2} 3.22734 0.05640 0.02585 ++ {0.0} {} 0.0 13.7249 0 {} 0
177 {H14.H} 8.00513 0.03516 0.03820 ++ {0.0} {} {I13.H} 8.32055 0.02713 0.06150 ++ {0.0} {} 0.0 4.7448 0 {} 0
178 {V9.H} 8.46464 0.04120 0.09937 ++ {0.0} {} {V9.HG11} 1.02349 0.03690 0.07526 ++ {0.0} {} 0.0 21.9296 0 {} 0
179 {G10.H} 8.53591 0.03903 0.04715 ++ {0.0} {} {V9.HB} 2.19601 0.05143 0.05769 ++ {0.0} {} 0.0 5.0826 0 {} 0
180 {G10.H} 8.53527 0.04799 0.08037 ++ {0.0} {} {V9.HG11} 1.02331 0.03732 0.06564 ++ {0.0} {} 0.0 13.6620 0 {} 0
181 {G10.H} 8.53546 0.04230 0.08311 ++ {0.0} {} {V9.HG21} 0.90918 0.04010 0.06646 ++ {0.0} {} 0.0 13.4768 0 {} 0
182 {A12.H} 8.02546 0.04037 0.02676 ++ {0.0} {} {I13.H} 8.32360 0.06152 0.08789 ++ {0.0} {} 0.0 3.1021 0 {} 0
183 {I13.H} 8.31411 0.04037 0.02676 ++ {0.0} {} {A12.H} 8.02983 0.06152 0.08789 ++ {0.0} {} 0.0 3.1021 0 {} 0
184 {H14.H} 8.00948 0.04439 0.05911 ++ {0.0} {} {H14.HA} 4.16785 0.05408 0.09833 ++ {0.0} {} 0.0 2.6745 0 {} 0
185 {H14.H} 8.00842 0.04276 0.06108 ++ {0.0} {} {I13.HA} 3.71107 0.03401 0.07204 ++ {0.0} {} 0.0 9.8797 0 {} 0
186 {H14.H} 8.02377 0.04276 0.06108 ++ {0.0} {} {I13.HB} 1.95078 0.04856 0.07264 ++ {0.0} {} 0.0 3.2742 0 {} 0
187 {H14.H} 8.02550 0.02925 0.04179 ++ {0.0} {} {I13.HD11} 0.75409 0.06838 0.12246 ++ {0.0} {} 0.0 10.1599 0 {} 0
188 {H14.H} 8.02728 0.02925 0.04179 ++ {0.0} {} {I13.HG12} 1.10025 0.06775 0.10560 ++ {0.0} {} 0.0 4.7861 0 {} 0
189 {H14.H} 8.02484 0.02475 0.03536 ++ {0.0} {} {I13.HG13} 1.44672 0.04888 0.06982 ++ {0.0} {} 0.0 3.7267 0 {} 0
190 {H14.H} 7.99089 0.04726 0.06751 ++ {0.0} {} {I13.HG21} 0.85900 0.03820 0.14502 ++ {0.0} {} 0.0 27.5935 0 {} 0
191 {I13.H} 8.31000 0.02923 0.11560 ++ {0.0} {} {H14.H} 8.01000 0.04290 0.14876 ++ {0.0} {} 0.0 22.2688 0 {} 0
192 {H11.HD2} 7.25571 0.01524 0.03400 ++ {0.0} {} {H11.HB3} 3.30251 0.08648 0.12354 ++ {0.0} {} 0.0 23.8043 0 {} 0
193 {H11.HD2} 7.25562 0.01628 0.02893 ++ {0.0} {} {H11.HB2} 3.22280 0.07144 0.10205 ++ {0.0} {} 0.0 18.8358 0 {} 0
194 {H11.HD2} 7.25577 0.01612 0.02893 ++ {0.0} {} {H11.HA} 4.38522 0.04259 0.07979 ++ {0.0} {} 0.0 22.8897 0 {} 0
195 {H7.HD2} 7.23138 0.01524 0.03122 ++ {0.0} {} {H7.HB2} 3.25720 0.08601 0.25194 ++ {0.0} {} 0.0 31.2578 0 {} 0
196 {H7.HD2} 7.23158 0.01540 0.03030 ++ {0.0} {} {H7.HA} 4.38625 0.04119 0.08118 ++ {0.0} {} 0.0 28.0313 0 {} 0
197 {H14.HD2} 7.18283 0.01433 0.03028 ++ {0.0} {} {H14.HB2} 3.30065 0.06174 0.17725 ++ {0.0} {} 0.0 29.6700 0 {} 0
198 {H14.HD2} 7.18406 0.01575 0.02250 ++ {0.0} {} {H14.HA} 4.16890 0.04213 0.08591 ++ {0.0} {} 0.0 30.4803 0 {} 0
199 {F1.HD1} 7.20419 0.02925 0.04179 ++ {0.0} {} {F1.HA} 4.16244 0.04383 0.11070 ++ {0.0} {} 0.0 46.0440 0 {} 0
200 {F1.HD1} 7.20445 0.02035 0.06478 ++ {0.0} {} {F1.HB3} 3.39443 0.05106 0.14902 ++ {0.0} {} 0.0 49.2526 0 {} 0
201 {F1.HD1} 7.20440 0.02034 0.06733 ++ {0.0} {} {F1.HB2} 3.16296 0.05219 0.14598 ++ {0.0} {} 0.0 50.4951 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 . . 12 ppm . . . 4.76 . . 34755 1
2 . . H 1 H . . 10 ppm . . . 4.76 . . 34755 1
stop_
save_