Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 30443
_Spectral_peak_list.ID 2
_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.Experiment_ID 2
_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
1Hx 1Hy
noesy505.nv
6009.61523437 6009.61523437
500.131988525 500.131988525
1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0
0 {2.HN} 8.67651 0.02314 0.04739 ++ {0.0} {} {2.HA} 4.42698 0.03337 0.08977 ++ {0.0} {} 0.0 136.5185 0 {} 0
1 {2.HN} 8.67539 0.02243 0.05299 ++ {0.0} {} {1.HA} 4.28235 0.02820 0.08785 ++ {0.0} {} 0.0 306.3871 0 {} 0
2 {2.HN} 8.67750 0.02685 0.04560 ++ {0.0} {} {1.HB2} 4.06474 0.03533 0.07930 ++ {0.0} {} 0.0 157.8296 0 {} 0
3 {2.HN} 8.67133 0.02914 0.02795 ++ {0.0} {} {2.HD1} 3.20117 0.04638 0.05115 ++ {0.0} {} 0.0 40.3350 0 {} 0
4 {2.HN} 8.67675 0.02430 0.05526 ++ {0.0} {} {2.HB1} 1.90794 0.08481 0.16790 ++ {0.0} {} 0.0 116.0450 0 {} 0
5 {2.HN} 8.67580 0.02823 0.05030 ++ {0.0} {} {2.HG1} 1.70810 0.05636 0.12342 ++ {0.0} {} 0.0 135.1208 0 {} 0
6 {8.HE1} 8.65817 0.01632 0.02546 ++ {0.0} {} {7.HG21} 0.86826 0.05057 0.08117 ++ {0.0} {} 0.0 53.8976 0 {} 0
7 {2.HG1} 1.70543 0.04481 0.07513 ++ {0.0} {} {2.HN} 8.68624 0.04023 0.06783 ++ {0.0} {} 0.0 46.7151 0 {} 0
8 {2.HB1} 1.87428 0.03210 0.07039 ++ {0.0} {} {2.HN} 8.68948 0.04057 0.05801 ++ {0.0} {} 0.0 35.6817 0 {} 0
9 {2.HB2} 1.93259 0.03485 0.06756 ++ {0.0} {} {2.HN} 8.68800 0.04454 0.05763 ++ {0.0} {} 0.0 32.1184 0 {} 0
10 {1.HB2} 4.04659 0.02141 0.03664 ++ {0.0} {} {2.HN} 8.68609 0.01777 0.06338 ++ {0.0} {} 0.0 55.2646 0 {} 0
11 {1.HA} 4.27067 0.02348 0.03437 ++ {0.0} {} {2.HN} 8.68949 0.01610 0.07077 ++ {0.0} {} 0.0 51.3338 0 {} 0
12 {2.HD1} 3.19168 0.04061 0.04560 ++ {0.0} {} {2.HA} 4.42620 0.02816 0.04937 ++ {0.0} {} 0.0 39.8969 0 {} 0
13 {2.HB2} 1.93464 0.06366 0.10644 ++ {0.0} {} {2.HA} 4.42051 0.03057 0.08564 ++ {0.0} {} 0.0 105.0109 0 {} 0
14 {2.HB1} 1.87475 0.04312 0.09639 ++ {0.0} {} {2.HA} 4.42449 0.02863 0.07626 ++ {0.0} {} 0.0 91.8651 0 {} 0
15 {2.HG1} 1.69577 0.05447 0.07601 ++ {0.0} {} {2.HA} 4.42717 0.03259 0.07181 ++ {0.0} {} 0.0 111.3175 0 {} 0
16 {2.HB1} 1.87688 0.06450 0.10780 ++ {0.0} {} {2.HD1} 3.20107 0.04198 0.07709 ++ {0.0} {} 0.0 175.0556 0 {} 0
17 {2.HB1} 1.92961 0.04506 0.07125 ++ {0.0} {} {2.HG1} 1.67762 0.06390 0.12356 ++ {0.0} {} 0.0 534.2189 0 {} 0
18 {3.HN} 8.32365 0.02734 0.05712 ++ {0.0} {} {2.HA} 4.42340 0.03007 0.09679 ++ {0.0} {} 0.0 332.1233 0 {} 0
19 {5.HB1} 1.72032 0.06134 0.07354 ++ {0.0} {} {2.HA} 4.42435 0.03335 0.07848 ++ {0.0} {} 0.0 92.7061 0 {} 0
20 {2.HE} 7.15227 0.04312 0.06706 ++ {0.0} {} {2.HD1} 3.20150 0.04178 0.09276 ++ {0.0} {} 0.0 230.0802 0 {} 0
21 {2.HD1} 3.19336 0.03955 0.07555 ++ {0.0} {} {2.HE} 7.14641 0.05838 0.11329 ++ {0.0} {} 0.0 173.5244 0 {} 0
22 {2.HG1} 1.70463 0.04580 0.08045 ++ {0.0} {} {2.HE} 7.16297 0.03090 0.05499 ++ {0.0} {} 0.0 51.6193 0 {} 0
23 {10.HB2} 1.93208 0.02874 0.04607 ++ {0.0} {} {10.HE} 7.14638 0.07369 0.06930 ++ {0.0} {} 0.0 29.3226 0 {} 0
24 {2.HB1} 1.87588 0.01016 0.02886 ++ {0.0} {} {2.HE} 7.16609 0.02310 0.03080 ++ {0.0} {} 0.0 22.3337 0 {} 0
25 {2.HE} 7.15373 0.02890 0.03532 ++ {0.0} {} {2.HA} 4.42918 0.03718 0.05395 ++ {0.0} {} 0.0 17.1944 0 {} 0
26 {2.HE} 7.14950 0.02796 0.03868 ++ {0.0} {} {2.HB1} 1.93365 0.04928 0.07039 ++ {0.0} {} 0.0 33.7195 0 {} 0
27 {2.HE} 7.15232 0.02735 0.02592 ++ {0.0} {} {2.HB1} 1.88940 0.04928 0.06585 ++ {0.0} {} 0.0 29.5637 0 {} 0
28 {2.HE} 7.15036 0.03571 0.05212 ++ {0.0} {} {2.HG1} 1.71084 0.08286 0.10448 ++ {0.0} {} 0.0 96.0882 0 {} 0
29 {2.HD1} 3.19545 0.04244 0.07554 ++ {0.0} {} {2.HB1} 1.92802 0.06658 0.13748 ++ {0.0} {} 0.0 131.4701 0 {} 0
30 {2.HD1} 3.18954 0.05550 0.08291 ++ {0.0} {} {2.HG1} 1.69558 0.09056 0.13528 ++ {0.0} {} 0.0 177.1681 0 {} 0
31 {2.HG1} 1.71930 0.03835 0.08839 ++ {0.0} {} {2.HB1} 1.91555 0.04538 0.13654 ++ {0.0} {} 0.0 305.0147 0 {} 0
32 {} 1.92193 0.04295 0.04324 ++ {0.0} {} {} 8.16968 0.03998 0.04053 ++ {0.0} {} 0.0 48.0902 -1 {} 0
33 {10.HN} 8.14128 0.03456 0.06203 ++ {0.0} {} {10.HA} 4.27972 0.02606 0.07809 ++ {0.0} {} 0.0 122.0493 0 {} 0
34 {10.HN} 8.14304 0.03081 0.07063 ++ {0.0} {} {9.HA} 4.34955 0.04615 0.09018 ++ {0.0} {} 0.0 504.1394 0 {} 0
35 {10.HN} 8.14085 0.02294 0.03992 ++ {0.0} {} {10.HD1} 3.20830 0.04049 0.06159 ++ {0.0} {} 0.0 42.4467 0 {} 0
36 {10.HN} 8.13724 0.00969 0.02886 ++ {0.0} {} {9.HG2} 2.36468 0.03030 0.04509 ++ {0.0} {} 0.0 24.5290 0 {} 0
37 {10.HN} 8.13781 0.02496 0.04115 ++ {0.0} {} {9.HG1} 2.14046 0.03872 0.08139 ++ {0.0} {} 0.0 51.1289 0 {} 0
38 {10.HN} 8.14064 0.02849 0.04015 ++ {0.0} {} {10.HB2} 1.93209 0.06035 0.08742 ++ {0.0} {} 0.0 72.9041 0 {} 0
39 {10.HN} 8.14193 0.02830 0.05097 ++ {0.0} {} {10.HB1} 1.79613 0.06130 0.10778 ++ {0.0} {} 0.0 123.0193 0 {} 0
40 {10.HN} 8.14378 0.03513 0.05957 ++ {0.0} {} {10.HG1} 1.67447 0.04482 0.09898 ++ {0.0} {} 0.0 138.9036 0 {} 0
41 {10.HN} 8.13810 0.03080 0.04400 ++ {0.0} {} {7.HG11} 0.85686 0.03809 0.04491 ++ {0.0} {} 0.0 29.5815 0 {} 0
42 {10.HN} 8.13767 0.00927 0.02357 ++ {0.0} {} {8.HA} 4.67425 0.08956 0.03584 ++ {0.0} {} 0.0 18.0897 0 {} 0
43 {10.HD1} 3.19091 0.05519 0.08173 ++ {0.0} {} {10.HA} 4.28667 0.03067 0.07621 ++ {0.0} {} 0.0 58.6119 0 {} 0
44 {10.HB2} 1.92038 0.05303 0.10359 ++ {0.0} {} {10.HA} 4.28375 0.03468 0.07804 ++ {0.0} {} 0.0 127.6705 0 {} 0
45 {10.HB1} 1.78865 0.06134 0.09523 ++ {0.0} {} {10.HA} 4.28435 0.03335 0.07728 ++ {0.0} {} 0.0 92.7061 0 {} 0
46 {10.HG1} 1.66535 0.04591 0.08317 ++ {0.0} {} {10.HA} 4.28246 0.05085 0.07487 ++ {0.0} {} 0.0 154.9149 0 {} 0
47 {10.HG2} 1.66664 0.08554 0.10722 ++ {0.0} {} {10.HD2} 3.20102 0.04302 0.08480 ++ {0.0} {} 0.0 203.5138 0 {} 0
48 {10.HB1} 1.78961 0.04557 0.09373 ++ {0.0} {} {10.HD1} 3.20009 0.04256 0.08480 ++ {0.0} {} 0.0 110.4523 0 {} 0
49 {10.HB2} 1.92651 0.06450 0.12435 ++ {0.0} {} {10.HD2} 3.20107 0.04198 0.08928 ++ {0.0} {} 0.0 175.0556 0 {} 0
50 {10.HG1} 1.66719 0.04985 0.07161 ++ {0.0} {} {10.HN} 8.15294 0.05840 0.08761 ++ {0.0} {} 0.0 91.7145 0 {} 0
51 {10.HB1} 1.78788 0.05982 0.07573 ++ {0.0} {} {10.HN} 8.15523 0.04265 0.06226 ++ {0.0} {} 0.0 53.4238 0 {} 0
52 {10.HB2} 1.92282 0.04295 0.06093 ++ {0.0} {} {10.HN} 8.15322 0.03998 0.06213 ++ {0.0} {} 0.0 48.0902 0 {} 0
53 {} 4.33280 0.01815 0.02593 ++ {0.0} {} {} 8.17667 0.05857 0.05079 ++ {0.0} {} 0.0 35.2763 -1 {} 0
54 {10.HE} 7.11033 0.02631 0.04830 ++ {0.0} {} {10.HG1} 1.67049 0.03752 0.08207 ++ {0.0} {} 0.0 115.3375 0 {} 0
55 {10.HE} 7.11099 0.01496 0.03243 ++ {0.0} {} {10.HB1} 1.79582 0.05564 0.06100 ++ {0.0} {} 0.0 33.1135 0 {} 0
56 {10.HE} 7.11131 0.01401 0.03108 ++ {0.0} {} {10.HB2} 1.93596 0.02399 0.05587 ++ {0.0} {} 0.0 27.3706 0 {} 0
57 {10.HE} 7.11153 0.02736 0.04342 ++ {0.0} {} {10.HD1} 3.20190 0.03889 0.09346 ++ {0.0} {} 0.0 167.8371 0 {} 0
58 {10.HG2} 1.66812 0.03835 0.07390 ++ {0.0} {} {10.HB2} 1.92888 0.04538 0.12072 ++ {0.0} {} 0.0 305.0147 0 {} 0
59 {8.HB1} 3.20604 0.04682 0.05024 ++ {0.0} {} {7.HG11} 0.86067 0.04653 0.04938 ++ {0.0} {} 0.0 32.3529 0 {} 0
60 {8.HN} 8.04893 0.02711 0.05994 ++ {0.0} {} {8.HA} 4.67897 0.04206 0.09023 ++ {0.0} {} 0.0 158.5007 0 {} 0
61 {9.HN} 8.19880 0.02785 0.06515 ++ {0.0} {} {8.HA} 4.67881 0.04269 0.09489 ++ {0.0} {} 0.0 327.3867 0 {} 0
62 {} 8.24700 0.02785 0.04886 ++ {0.0} {} {} 4.69113 0.04269 0.08033 ++ {0.0} {} 0.0 327.3867 -1 {} 0
63 {8.HN} 8.05005 0.03810 0.04724 ++ {0.0} {} {5.HA} 4.23586 0.03716 0.04616 ++ {0.0} {} 0.0 124.0770 0 {} 0
64 {8.HN} 8.05008 0.03856 0.03998 ++ {0.0} {} {6.HA} 4.13438 0.03815 0.04030 ++ {0.0} {} 0.0 40.2062 0 {} 0
65 {8.HN} 8.05052 0.03173 0.05192 ++ {0.0} {} {7.HA} 4.03715 0.06420 0.09113 ++ {0.0} {} 0.0 354.1248 0 {} 0
66 {8.HB2} 3.27481 0.03467 0.06747 ++ {0.0} {} {8.HA} 4.67910 0.03921 0.07970 ++ {0.0} {} 0.0 221.3725 0 {} 0
67 {10.HD1} 3.19896 0.05124 0.06877 ++ {0.0} {} {8.HA} 4.68725 0.04396 0.08811 ++ {0.0} {} 0.0 161.6234 0 {} 0
68 {8.HB1} 3.21703 0.05124 0.07334 ++ {0.0} {} {8.HA} 4.68524 0.04396 0.10249 ++ {0.0} {} 0.0 161.6234 0 {} 0
69 {9.HG2} 2.36218 0.02317 0.01938 ++ {0.0} {} {8.HA} 4.67914 0.03498 0.02869 ++ {0.0} {} 0.0 16.4662 0 {} 0
70 {9.HG1} 2.13865 0.00981 0.01401 ++ {0.0} {} {8.HA} 4.68334 0.04556 0.02060 ++ {0.0} {} 0.0 12.5503 0 {} 0
71 {7.HG11} 0.85110 0.03102 0.04558 ++ {0.0} {} {8.HA} 4.67442 0.02615 0.04153 ++ {0.0} {} 0.0 47.1764 0 {} 0
72 {8.HB2} 3.27644 0.01616 0.02309 ++ {0.0} {} {7.HG11} 0.85338 0.03996 0.01533 ++ {0.0} {} 0.0 22.0965 0 {} 0
73 {8.HN} 8.05035 0.03287 0.05224 ++ {0.0} {} {8.HB1} 3.21761 0.08214 0.11734 ++ {0.0} {} 0.0 127.7816 0 {} 0
74 {8.HN} 8.05017 0.03222 0.04934 ++ {0.0} {} {8.HB2} 3.28857 0.08214 0.11734 ++ {0.0} {} 0.0 103.0677 0 {} 0
75 {9.HG2} 2.36753 0.02670 0.03814 ++ {0.0} {} {10.HD1} 3.20441 0.04690 0.02849 ++ {0.0} {} 0.0 17.4375 0 {} 0
76 {7.HG11} 0.93380 0.01382 0.02968 ++ {0.0} {} {8.HB1} 3.19852 0.02089 0.03109 ++ {0.0} {} 0.0 26.6414 0 {} 0
77 {7.HG11} 0.88097 0.02581 0.04018 ++ {0.0} {} {8.HB1} 3.20977 0.05955 0.05701 ++ {0.0} {} 0.0 68.7766 0 {} 0
78 {7.HG11} 0.85188 0.02581 0.04851 ++ {0.0} {} {8.HB1} 3.20249 0.05955 0.07670 ++ {0.0} {} 0.0 68.7766 0 {} 0
79 {3.HN} 8.32456 0.02949 0.05872 ++ {0.0} {} {3.HA} 4.34020 0.02605 0.06528 ++ {0.0} {} 0.0 179.3635 0 {} 0
80 {3.HN} 8.32160 0.02756 0.04706 ++ {0.0} {} {3.HB1} 3.87631 0.06674 0.11712 ++ {0.0} {} 0.0 172.3767 0 {} 0
81 {3.HN} 8.32467 0.01416 0.02244 ++ {0.0} {} {2.HD2} 3.20086 0.03908 0.03731 ++ {0.0} {} 0.0 28.4163 0 {} 0
82 {3.HN} 8.32349 0.02650 0.04010 ++ {0.0} {} {2.HG2} 1.71727 0.04467 0.07885 ++ {0.0} {} 0.0 49.0768 0 {} 0
83 {3.HN} 8.32441 0.02640 0.03692 ++ {0.0} {} {2.HB2} 1.88020 0.04928 0.09328 ++ {0.0} {} 0.0 66.2945 0 {} 0
84 {3.HN} 8.32390 0.02733 0.04024 ++ {0.0} {} {2.HB2} 1.93448 0.04928 0.08318 ++ {0.0} {} 0.0 63.1992 0 {} 0
85 {6.HN} 7.69888 0.02866 0.02370 ++ {0.0} {} {3.HA} 4.34229 0.04624 0.03407 ++ {0.0} {} 0.0 37.5453 -1 {} 0
86 {3.HB1} 3.86409 0.03864 0.10498 ++ {0.0} {} {3.HA} 4.33928 0.07280 0.08706 ++ {0.0} {} 0.0 161.6921 0 {} 0
87 {} 1.67561 0.06181 0.07632 ++ {0.0} {} {} 4.34201 0.04928 0.07041 ++ {0.0} {} 0.0 55.8049 -1 {} 0
88 {3.HB1} 3.86250 0.03149 0.07759 ++ {0.0} {} {3.HN} 8.33467 0.01999 0.07011 ++ {0.0} {} 0.0 55.6336 0 {} 0
89 {3.HA} 4.33495 0.01120 0.01600 ++ {0.0} {} {3.HN} 8.34748 0.03990 0.02123 ++ {0.0} {} 0.0 16.5423 0 {} 0
90 {6.HN} 7.69501 0.02866 0.03709 ++ {0.0} {} {3.HA} 4.33866 0.04624 0.06218 ++ {0.0} {} 0.0 37.5453 0 {} 0
91 {6.HN} 7.69917 0.03302 0.06905 ++ {0.0} {} {5.HA} 4.23330 0.04236 0.09306 ++ {0.0} {} 0.0 184.0871 0 {} 0
92 {6.HN} 7.69847 0.03404 0.06478 ++ {0.0} {} {6.HA} 4.13799 0.04075 0.07904 ++ {0.0} {} 0.0 102.9675 0 {} 0
93 {6.HN} 7.69730 0.03208 0.07513 ++ {0.0} {} {6.HB} 1.91256 0.05342 0.09511 ++ {0.0} {} 0.0 167.5237 0 {} 0
94 {6.HN} 7.69687 0.02015 0.04706 ++ {0.0} {} {5.HB2} 1.71844 0.06594 0.08395 ++ {0.0} {} 0.0 44.9969 0 {} 0
95 {6.HN} 7.69466 0.03460 0.04127 ++ {0.0} {} {5.HG} 1.58055 0.05265 0.07048 ++ {0.0} {} 0.0 46.3707 0 {} 0
96 {6.HN} 7.69845 0.03103 0.05243 ++ {0.0} {} {6.HG11} 1.48365 0.04523 0.08035 ++ {0.0} {} 0.0 71.8337 0 {} 0
97 {6.HN} 7.69808 0.03511 0.05285 ++ {0.0} {} {6.HG12} 1.17792 0.03839 0.08188 ++ {0.0} {} 0.0 58.4890 0 {} 0
98 {6.HN} 7.70067 0.03231 0.06478 ++ {0.0} {} {6.HD11} 0.86762 0.06272 0.09307 ++ {0.0} {} 0.0 142.1746 0 {} 0
99 {6.HB} 1.90328 0.04557 0.08186 ++ {0.0} {} {6.HA} 4.14095 0.04256 0.08541 ++ {0.0} {} 0.0 110.4523 0 {} 0
100 {6.HG11} 1.47315 0.06284 0.08186 ++ {0.0} {} {6.HA} 4.13869 0.04053 0.06119 ++ {0.0} {} 0.0 46.1917 0 {} 0
101 {6.HG12} 1.16448 0.02457 0.05196 ++ {0.0} {} {6.HA} 4.13548 0.03249 0.05482 ++ {0.0} {} 0.0 58.7768 0 {} 0
102 {6.HD11} 0.85222 0.02648 0.06588 ++ {0.0} {} {6.HA} 4.13897 0.04173 0.09224 ++ {0.0} {} 0.0 434.1649 0 {} 0
103 {6.HD11} 0.89307 0.01848 0.04272 ++ {0.0} {} {6.HA} 4.13929 0.05788 0.09328 ++ {0.0} {} 0.0 71.9530 0 {} 0
104 {5.HA} 4.22394 0.02002 0.02860 ++ {0.0} {} {6.HN} 7.70624 0.04130 0.03281 ++ {0.0} {} 0.0 25.1757 0 {} 0
105 {6.HB} 1.90291 0.05590 0.08899 ++ {0.0} {} {6.HN} 7.71061 0.04898 0.08031 ++ {0.0} {} 0.0 76.1459 0 {} 0
106 {5.HB2} 1.72668 0.02016 0.04342 ++ {0.0} {} {6.HN} 7.71456 0.03969 0.05227 ++ {0.0} {} 0.0 25.8570 0 {} 0
107 {5.HG} 1.57702 0.04348 0.05447 ++ {0.0} {} {6.HN} 7.71206 0.04657 0.05600 ++ {0.0} {} 0.0 30.6789 0 {} 0
108 {6.HG11} 1.47258 0.05004 0.06478 ++ {0.0} {} {7.HN} 7.70957 0.05220 0.05737 ++ {0.0} {} 0.0 35.5786 0 {} 0
109 {6.HD11} 0.85959 0.02257 0.05766 ++ {0.0} {} {6.HN} 7.71209 0.02148 0.08540 ++ {0.0} {} 0.0 78.9666 0 {} 0
110 {6.HD11} 0.85402 0.03087 0.06194 ++ {0.0} {} {6.HB} 1.90976 0.05168 0.12620 ++ {0.0} {} 0.0 707.3000 0 {} 0
111 {6.HD11} 0.85309 0.00616 0.04769 ++ {0.0} {} {6.HG11} 1.47379 0.04131 0.08924 ++ {0.0} {} 0.0 202.5688 0 {} 0
112 {6.HD11} 0.85291 0.01187 0.04912 ++ {0.0} {} {6.HG12} 1.17436 0.02155 0.09688 ++ {0.0} {} 0.0 272.8307 0 {} 0
113 {6.HG12} 1.16619 0.03291 0.03258 ++ {0.0} {} {6.HB} 1.90468 0.03299 0.04457 ++ {0.0} {} 0.0 36.7027 0 {} 0
114 {6.HG12} 1.17093 0.01027 0.07616 ++ {0.0} {} {6.HD11} 0.85687 0.05385 0.08541 ++ {0.0} {} 0.0 402.8658 0 {} 0
115 {6.HG11} 1.43091 0.01804 0.07622 ++ {0.0} {} {6.HD11} 0.85900 0.02944 0.06831 ++ {0.0} {} 0.0 74.1279 0 {} 0
116 {6.HB} 1.90013 0.05137 0.08756 ++ {0.0} {} {6.HD11} 0.86593 0.04636 0.11728 ++ {0.0} {} 0.0 430.9042 0 {} 0
117 {6.HA} 4.13046 0.01781 0.02968 ++ {0.0} {} {6.HD11} 0.86032 0.04039 0.05701 ++ {0.0} {} 0.0 66.6073 0 {} 0
118 {6.HA} 4.12645 0.01092 0.01560 ++ {0.0} {} {6.HG12} 1.16336 0.03685 0.03824 ++ {0.0} {} 0.0 21.5247 0 {} 0
119 {6.HA} 4.12894 0.02224 0.02824 ++ {0.0} {} {6.HG11} 1.48374 0.04408 0.04664 ++ {0.0} {} 0.0 28.1124 0 {} 0
120 {6.HA} 4.12830 0.02519 0.04561 ++ {0.0} {} {6.HB} 1.90950 0.05264 0.08706 ++ {0.0} {} 0.0 76.8788 0 {} 0
121 {6.HB} 1.89363 0.00386 0.06478 ++ {0.0} {} {6.HG12} 1.17239 0.02504 0.05608 ++ {0.0} {} 0.0 27.2462 0 {} 0
122 {6.HB} 1.90387 0.00616 0.06051 ++ {0.0} {} {6.HG11} 1.47980 0.05061 0.08031 ++ {0.0} {} 0.0 51.8331 0 {} 0
123 {6.HG12} 1.15614 0.02670 0.09040 ++ {0.0} {} {6.HG11} 1.46980 0.04500 0.10326 ++ {0.0} {} 0.0 267.6209 0 {} 0
124 {7.HN} 7.78173 0.03633 0.06565 ++ {0.0} {} {7.HB} 2.07103 0.04328 0.09291 ++ {0.0} {} 0.0 128.9427 0 {} 0
125 {7.HN} 7.78151 0.04084 0.06299 ++ {0.0} {} {6.HB} 1.91104 0.05373 0.08914 ++ {0.0} {} 0.0 88.1066 0 {} 0
126 {7.HN} 7.77911 0.01177 0.02349 ++ {0.0} {} {6.HG11} 1.48361 0.04424 0.03442 ++ {0.0} {} 0.0 22.8496 0 {} 0
127 {7.HN} 7.78156 0.01185 0.01693 ++ {0.0} {} {6.HG12} 1.17996 0.01535 0.02193 ++ {0.0} {} 0.0 18.8073 0 {} 0
128 {7.HN} 7.78523 0.03776 0.08001 ++ {0.0} {} {7.HG21} 0.87687 0.10962 0.12232 ++ {0.0} {} 0.0 221.0286 0 {} 0
129 {7.HB} 2.06231 0.04686 0.08992 ++ {0.0} {} {7.HA} 4.04063 0.06399 0.08916 ++ {0.0} {} 0.0 128.0401 0 {} 0
130 {7.HG21} 0.89171 0.02760 0.05339 ++ {0.0} {} {7.HA} 4.04366 0.05673 0.09051 ++ {0.0} {} 0.0 237.3065 0 {} 0
131 {7.HB} 2.06433 0.05055 0.08154 ++ {0.0} {} {7.HN} 7.79444 0.02260 0.07709 ++ {0.0} {} 0.0 65.9511 0 {} 0
132 {7.HG21} 0.89314 0.03357 0.04893 ++ {0.0} {} {7.HN} 7.79580 0.02450 0.09391 ++ {0.0} {} 0.0 166.6445 0 {} 0
133 {7.HG21} 0.85168 0.03274 0.06319 ++ {0.0} {} {7.HN} 7.79593 0.02978 0.09502 ++ {0.0} {} 0.0 202.7073 0 {} 0
134 {7.HG21} 0.89507 0.02094 0.04561 ++ {0.0} {} {7.HB} 2.06645 0.04845 0.11297 ++ {0.0} {} 0.0 513.1485 0 {} 0
135 {7.HG21} 0.84923 0.02015 0.04949 ++ {0.0} {} {7.HB} 2.06154 0.04716 0.11968 ++ {0.0} {} 0.0 459.0005 0 {} 0
136 {6.HA} 4.12700 0.06955 0.05482 ++ {0.0} {} {7.HN} 7.79513 0.06218 0.08413 ++ {0.0} {} 0.0 76.8586 0 {} 0
137 {7.HN} 7.78394 0.03598 0.08338 ++ {0.0} {} {6.HA} 4.13881 0.04165 0.09014 ++ {0.0} {} 0.0 312.4126 0 {} 0
138 {7.HN} 7.77951 0.03669 0.06029 ++ {0.0} {} {7.HA} 4.03404 0.02734 0.06767 ++ {0.0} {} 0.0 93.5886 0 {} 0
139 {7.HN} 7.78116 0.01808 0.03488 ++ {0.0} {} {5.HA} 4.21950 0.03010 0.06884 ++ {0.0} {} 0.0 42.4250 0 {} 0
140 {9.HN} 8.19661 0.03730 0.05574 ++ {0.0} {} {9.HA} 4.35045 0.04103 0.08603 ++ {0.0} {} 0.0 217.5227 0 {} 0
141 {9.HN} 8.19882 0.03010 0.04706 ++ {0.0} {} {8.HB2} 3.28858 0.05734 0.09328 ++ {0.0} {} 0.0 71.9964 0 {} 0
142 {9.HN} 8.19817 0.03062 0.05285 ++ {0.0} {} {8.HB2} 3.21781 0.04928 0.09017 ++ {0.0} {} 0.0 75.3300 0 {} 0
143 {9.HN} 8.19520 0.02866 0.04706 ++ {0.0} {} {9.HG2} 2.36843 0.03042 0.07255 ++ {0.0} {} 0.0 85.2418 0 {} 0
144 {9.HN} 8.19681 0.02963 0.05285 ++ {0.0} {} {9.HG1} 2.13595 0.03954 0.09535 ++ {0.0} {} 0.0 82.3837 0 {} 0
145 {9.HN} 8.19787 0.02890 0.05624 ++ {0.0} {} {9.HB1} 1.99214 0.05548 0.11728 ++ {0.0} {} 0.0 129.2282 0 {} 0
146 {9.HG2} 2.35822 0.03791 0.05766 ++ {0.0} {} {9.HA} 4.34774 0.04498 0.08924 ++ {0.0} {} 0.0 124.5237 0 {} 0
147 {9.HG1} 2.12164 0.07039 0.11783 ++ {0.0} {} {9.HA} 4.34904 0.04623 0.09017 ++ {0.0} {} 0.0 249.4162 0 {} 0
148 {9.HB1} 2.00454 0.08896 0.15548 ++ {0.0} {} {9.HA} 4.34855 0.04974 0.08171 ++ {0.0} {} 0.0 160.3102 0 {} 0
149 {9.HG2} 2.35249 0.02465 0.06156 ++ {0.0} {} {9.HG1} 2.13687 0.04881 0.11512 ++ {0.0} {} 0.0 510.4404 0 {} 0
150 {9.HG2} 2.35694 0.02247 0.06620 ++ {0.0} {} {9.HB2} 1.99198 0.04818 0.12365 ++ {0.0} {} 0.0 235.8776 0 {} 0
151 {9.HG2} 2.35790 0.01129 0.03772 ++ {0.0} {} {7.HG11} 0.85848 0.03643 0.04589 ++ {0.0} {} 0.0 31.7819 0 {} 0
152 {9.HB2} 1.98043 0.02698 0.06878 ++ {0.0} {} {9.HG2} 2.35521 0.03645 0.07048 ++ {0.0} {} 0.0 143.9573 0 {} 0
153 {9.HB1} 1.99927 0.05323 0.11620 ++ {0.0} {} {9.HG1} 2.13459 0.04045 0.12971 ++ {0.0} {} 0.0 646.6723 0 {} 0
154 {9.HG1} 2.12342 0.04267 0.10749 ++ {0.0} {} {9.HB1} 2.00207 0.09279 0.14023 ++ {0.0} {} 0.0 847.3242 0 {} 0
155 {9.HG1} 2.12879 0.05407 0.08044 ++ {0.0} {} {9.HG2} 2.35795 0.03023 0.09433 ++ {0.0} {} 0.0 342.4834 0 {} 0
156 {9.HB1} 1.98739 0.06723 0.08942 ++ {0.0} {} {9.HN} 8.21318 0.03824 0.07017 ++ {0.0} {} 0.0 64.0517 0 {} 0
157 {9.HG1} 2.12537 0.04594 0.07821 ++ {0.0} {} {9.HN} 8.21351 0.04475 0.07441 ++ {0.0} {} 0.0 68.0972 0 {} 0
158 {9.HG2} 2.35841 0.02879 0.05318 ++ {0.0} {} {9.HN} 8.21374 0.03432 0.07823 ++ {0.0} {} 0.0 72.4446 0 {} 0
159 {10.HD1} 3.21462 0.04216 0.05575 ++ {0.0} {} {9.HN} 8.21229 0.06614 0.06841 ++ {0.0} {} 0.0 48.7851 0 {} 0
160 {8.HB2} 3.27381 0.02729 0.04507 ++ {0.0} {} {9.HN} 8.20989 0.04559 0.07491 ++ {0.0} {} 0.0 66.2563 0 {} 0
161 {7.HA} 4.02338 0.04561 0.03535 ++ {0.0} {} {9.HN} 8.19609 0.08214 0.03670 ++ {0.0} {} 0.0 33.9271 0 {} 0
162 {9.HA} 4.34061 0.04762 0.04272 ++ {0.0} {} {9.HN} 8.20337 0.04928 0.06737 ++ {0.0} {} 0.0 33.0656 0 {} 0
163 {9.HG2} 2.35881 0.03091 0.03268 ++ {0.0} {} {9.HE21} 7.50485 0.03543 0.03818 ++ {0.0} {} 0.0 26.3248 0 {} 0
164 {9.HG2} 2.36409 0.01973 0.02819 ++ {0.0} {} {9.HE22} 6.79182 0.03241 0.02889 ++ {0.0} {} 0.0 14.0193 0 {} 0
165 {9.HN} 8.19178 0.02037 0.03061 ++ {0.0} {} {7.HA} 4.03544 0.03082 0.03569 ++ {0.0} {} 0.0 35.8646 0 {} 0
166 {5.HN} 8.03328 0.03810 0.06009 ++ {0.0} {} {5.HA} 4.23278 0.03716 0.06944 ++ {0.0} {} 0.0 124.0770 0 {} 0
167 {5.HN} 8.03336 0.03527 0.07190 ++ {0.0} {} {5.HB1} 1.70944 0.05587 0.12748 ++ {0.0} {} 0.0 121.1048 0 {} 0
168 {4.HN} 8.03316 0.02455 0.05720 ++ {0.0} {} {5.HG} 1.58669 0.05760 0.09432 ++ {0.0} {} 0.0 86.9493 0 {} 0
169 {5.HN} 8.03549 0.03527 0.06154 ++ {0.0} {} {5.HB1} 1.67832 0.05587 0.10883 ++ {0.0} {} 0.0 121.1048 0 {} 0
170 {5.HA} 4.23650 0.01485 0.01619 ++ {0.0} {} {5.HB1} 1.73962 0.06070 0.02487 ++ {0.0} {} 0.0 20.3948 0 {} 0
171 {5.HA} 4.23230 0.01386 0.01981 ++ {0.0} {} {5.HG} 1.56420 0.03977 0.03249 ++ {0.0} {} 0.0 20.5255 0 {} 0
172 {} 3.21110 0.03078 0.02534 ++ {0.0} {} {} 1.55676 0.04928 0.04249 ++ {0.0} {} 0.0 23.5595 -1 {} 0
173 {5.HD11} 0.93943 0.01976 0.05053 ++ {0.0} {} {5.HB2} 1.69223 0.05973 0.14532 ++ {0.0} {} 0.0 121.7727 0 {} 0
174 {5.HD21} 0.88548 0.01848 0.05369 ++ {0.0} {} {5.HB2} 1.68804 0.05366 0.11036 ++ {0.0} {} 0.0 95.0581 0 {} 0
175 {5.HD11} 0.93865 0.02425 0.04627 ++ {0.0} {} {5.HA} 4.23285 0.03792 0.07776 ++ {0.0} {} 0.0 98.6646 0 {} 0
176 {5.HG} 1.57462 0.05241 0.08616 ++ {0.0} {} {5.HA} 4.23373 0.04443 0.08395 ++ {0.0} {} 0.0 123.5831 0 {} 0
177 {5.HB1} 1.70345 0.04108 0.07823 ++ {0.0} {} {5.HA} 4.23411 0.04763 0.07899 ++ {0.0} {} 0.0 112.5491 0 {} 0
178 {5.HB2} 1.66050 0.01027 0.06052 ++ {0.0} {} {5.HD21} 0.87893 0.06316 0.09254 ++ {0.0} {} 0.0 74.2563 0 {} 0
179 {4.HA} 4.33065 0.03854 0.05140 ++ {0.0} {} {4.HN} 8.05439 0.04066 0.06470 ++ {0.0} {} 0.0 61.3693 0 {} 0
180 {4.HN} 8.04309 0.03496 0.08840 ++ {0.0} {} {4.HA} 4.34068 0.06975 0.12350 ++ {0.0} {} 0.0 606.5390 0 {} 0
181 {4.HN} 8.04619 0.02920 0.04492 ++ {0.0} {} {3.HB2} 3.87510 0.04619 0.07716 ++ {0.0} {} 0.0 89.8613 0 {} 0
182 {3.HB2} 3.86232 0.04557 0.06036 ++ {0.0} {} {4.HN} 8.05575 0.04215 0.06163 ++ {0.0} {} 0.0 55.7731 0 {} 0
183 {4.HN} 8.04495 0.03080 0.05262 ++ {0.0} {} {4.HG1} 2.42856 0.03689 0.08450 ++ {0.0} {} 0.0 145.7717 0 {} 0
184 {4.HG1} 2.42318 0.03153 0.05400 ++ {0.0} {} {4.HN} 8.05554 0.05257 0.08513 ++ {0.0} {} 0.0 130.6443 0 {} 0
185 {5.HN} 8.04597 0.03004 0.06008 ++ {0.0} {} {4.HB2} 2.04025 0.08952 0.11734 ++ {0.0} {} 0.0 167.2461 0 {} 0
186 {4.HB2} 2.02879 0.06475 0.10831 ++ {0.0} {} {4.HN} 8.05616 0.04963 0.07937 ++ {0.0} {} 0.0 105.5054 0 {} 0
187 {4.HA} 4.33793 0.02864 0.03455 ++ {0.0} {} {4.HB1} 2.13595 0.05118 0.06593 ++ {0.0} {} 0.0 48.0646 0 {} 0
188 {} 4.34193 0.02451 0.02527 ++ {0.0} {} {} 2.00482 0.06981 0.07217 ++ {0.0} {} 0.0 36.7609 0 {} 0
189 {4.HB2} 2.02647 0.05182 0.08438 ++ {0.0} {} {4.HG2} 2.42678 0.04047 0.09047 ++ {0.0} {} 0.0 140.9159 0 {} 0
190 {4.HG2} 2.42413 0.02902 0.05747 ++ {0.0} {} {4.HB2} 2.03184 0.05386 0.11389 ++ {0.0} {} 0.0 201.5155 0 {} 0
191 {4.HN} 8.04370 0.03732 0.05676 ++ {0.0} {} {4.HB1} 2.13201 0.04470 0.08347 ++ {0.0} {} 0.0 111.6476 0 {} 0
192 {4.HB1} 2.12273 0.05955 0.08507 ++ {0.0} {} {4.HN} 8.05508 0.05358 0.07895 ++ {0.0} {} 0.0 93.2413 0 {} 0
193 {9.HE21} 7.49387 0.02009 0.02897 ++ {0.0} {} {9.HG2} 2.36832 0.03318 0.07119 ++ {0.0} {} 0.0 61.1430 0 {} 0
194 {8.HD1} 7.36411 0.01691 0.02731 ++ {0.0} {} {8.HA} 4.67591 0.05273 0.08267 ++ {0.0} {} 0.0 110.5639 0 {} 0
195 {8.HB2} 3.28076 0.03376 0.06161 ++ {0.0} {} {8.HD2} 7.37474 0.03310 0.04712 ++ {0.0} {} 0.0 60.2330 0 {} 0
196 {8.HB2} 3.21328 0.00616 0.06121 ++ {0.0} {} {8.HD2} 7.37454 0.03634 0.05620 ++ {0.0} {} 0.0 42.5534 0 {} 0
197 {8.HD2} 7.36362 0.01625 0.03293 ++ {0.0} {} {8.HB2} 3.21106 0.04928 0.10367 ++ {0.0} {} 0.0 150.6597 0 {} 0
198 {8.HD2} 7.36462 0.01797 0.02948 ++ {0.0} {} {8.HB2} 3.29834 0.05707 0.11659 ++ {0.0} {} 0.0 124.2471 0 {} 0
199 {7.HG21} 0.84774 0.02622 0.05574 ++ {0.0} {} {7.HA} 4.03720 0.06770 0.09901 ++ {0.0} {} 0.0 326.1954 0 {} 0
200 {7.HA} 4.02728 0.04433 0.06930 ++ {0.0} {} {7.HG21} 0.87844 0.03272 0.12395 ++ {0.0} {} 0.0 144.7483 0 {} 0
201 {7.HA} 4.02264 0.03624 0.05246 ++ {0.0} {} {7.HB} 2.07259 0.05683 0.09047 ++ {0.0} {} 0.0 108.7214 0 {} 0
202 {1.HB2} 4.04487 0.02090 0.03874 ++ {0.0} {} {1.HA} 4.27831 0.04609 0.09985 ++ {0.0} {} 0.0 215.1334 0 {} 0
203 {1.HA} 4.27588 0.01659 0.02586 ++ {0.0} {} {1.HB2} 4.06233 0.03150 0.07351 ++ {0.0} {} 0.0 151.2271 0 {} 0
204 {4.HA} 4.33472 0.02012 0.02874 ++ {0.0} {} {4.HG1} 2.42829 0.06778 0.06586 ++ {0.0} {} 0.0 16.8802 0 {} 0
205 {4.HG1} 2.42305 0.03119 0.07443 ++ {0.0} {} {4.HA} 4.34374 0.06394 0.10618 ++ {0.0} {} 0.0 168.0743 0 {} 0
206 {10.HA} 4.27888 0.03466 0.04346 ++ {0.0} {} {10.HB2} 1.93483 0.05413 0.07416 ++ {0.0} {} 0.0 24.1819 0 {} 0
207 {10.HA} 4.29037 0.02500 0.03091 ++ {0.0} {} {10.HB1} 1.80043 0.04115 0.05800 ++ {0.0} {} 0.0 20.5113 0 {} 0
208 {4.HB1} 2.13092 0.04811 0.08156 ++ {0.0} {} {4.HG1} 2.43476 0.04928 0.07041 ++ {0.0} {} 0.0 259.8953 0 {} 0
209 {10.HA} 4.27026 0.02771 0.04821 ++ {0.0} {} {10.HD1} 3.20835 0.03486 0.04250 ++ {0.0} {} 0.0 11.3440 0 {} 0
210 {5.HG} 1.57649 0.03972 0.06794 ++ {0.0} {} {5.HN} 8.05041 0.03347 0.10280 ++ {0.0} {} 0.0 82.3600 0 {} 0
211 {5.HB1} 1.70322 0.01022 0.12281 ++ {0.0} {} {5.HN} 8.04421 0.00894 0.11007 ++ {0.0} {} 0.0 -9.2358 0 {} 0
212 {4.HN} 8.04464 0.02704 0.05213 ++ {0.0} {} {3.HN} 8.33307 0.07583 0.11734 ++ {0.0} {} 0.0 163.7897 0 {} 0
213 {3.HN} 8.32212 0.02692 0.07188 ++ {0.0} {} {4.HN} 8.05664 0.04347 0.08156 ++ {0.0} {} 0.0 145.9118 0 {} 0
214 {8.HN} 8.04991 0.04030 0.07860 ++ {0.0} {} {7.HN} 7.78859 0.03330 0.10171 ++ {0.0} {} 0.0 107.4410 0 {} 0
215 {7.HN} 7.78084 0.03256 0.06367 ++ {0.0} {} {8.HN} 8.06823 0.03923 0.11871 ++ {0.0} {} 0.0 118.9360 0 {} 0
216 {8.HN} 8.04589 0.00616 0.05280 ++ {0.0} {} {7.HN} 7.78862 0.02299 0.06457 ++ {0.0} {} 0.0 76.9806 -1 {} 0
217 {6.HN} 7.69816 0.03321 0.05997 ++ {0.0} {} {5.HN} 8.05054 0.05148 0.10440 ++ {0.0} {} 0.0 95.7985 0 {} 0
218 {3.HN} 8.32266 0.01981 0.03665 ++ {0.0} {} {2.HN} 8.68971 0.05328 0.11734 ++ {0.0} {} 0.0 79.0260 0 {} 0
219 {2.HN} 8.67781 0.01835 0.02673 ++ {0.0} {} {3.HN} 8.33368 0.03063 0.08545 ++ {0.0} {} 0.0 88.5551 0 {} 0
220 {8.HN} 8.04484 0.02888 0.06083 ++ {0.0} {} {9.HN} 8.19392 0.08214 0.11734 ++ {0.0} {} 0.0 172.9590 0 {} 0
221 {9.HN} 8.19297 0.03859 0.06054 ++ {0.0} {} {8.HN} 8.05668 0.02990 0.05335 ++ {0.0} {} 0.0 69.6557 0 {} 0
222 {10.HN} 8.09345 0.02670 0.05021 ++ {0.0} {} {7.HA} 4.04827 0.03853 0.09377 ++ {0.0} {} 0.0 103.7670 0 {} 0
223 {7.HA} 4.02467 0.03247 0.06891 ++ {0.0} {} {8.HN} 8.05974 0.03998 0.08706 ++ {0.0} {} 0.0 168.4731 0 {} 0
224 {5.HN} 8.04506 0.03803 0.08203 ++ {0.0} {} {5.HD21} 0.86526 0.07628 0.10671 ++ {0.0} {} 0.0 173.8790 0 {} 0
225 {} 8.07016 0.03803 0.07450 ++ {0.0} {} {} 1.13242 0.07628 0.13461 ++ {0.0} {} 0.0 173.8790 -1 {} 0
226 {} 8.15175 0.03803 0.09094 ++ {0.0} {} {} 0.55427 0.07628 0.13461 ++ {0.0} {} 0.0 173.8790 -1 {} 0
227 {} 8.35385 0.03803 0.09094 ++ {0.0} {} {} 0.57932 0.07628 0.13461 ++ {0.0} {} 0.0 173.8790 -1 {} 0
228 {6.HA} 4.12825 0.03847 0.05898 ++ {0.0} {} {6.HN} 7.70692 0.04063 0.06973 ++ {0.0} {} 0.0 36.0939 0 {} 0
229 {5.HA} 4.22797 0.03365 0.04914 ++ {0.0} {} {5.HN} 8.04658 0.04888 0.07454 ++ {0.0} {} 0.0 23.5098 0 {} 0
230 {10.HA} 4.28100 0.03080 0.04400 ++ {0.0} {} {10.HN} 8.15429 0.04155 0.05546 ++ {0.0} {} 0.0 19.9713 0 {} 0
231 {9.HG1} 2.12586 0.05863 0.09482 ++ {0.0} {} {10.HN} 8.14990 0.08166 0.09140 ++ {0.0} {} 0.0 66.5548 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 2 . 6009.615 Hz . . . 2350.94 . . 30443 2
2 . . H 1 H 1 . 6009.615 Hz . . . 2350.94 . . 30443 2
stop_
save_