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 30443
_Spectral_peak_list.ID 1
_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 1
_Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY'
_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
tocsy600.nv
8012.82080078 8012.82080078
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 {3.HN} 8.31541 0.02870 0.05689 ++ {0.0} {} {3.HA} 4.34672 0.07545 0.16757 ++ {0.0} {} 0.0 17.7653 0 {} 0
1 {3.HN} 8.31556 0.03087 0.05208 ++ {0.0} {} {3.HB1} 3.88866 0.08758 0.19286 ++ {0.0} {} 0.0 13.7152 0 {} 0
2 {7.HN} 7.77380 0.04031 0.07377 ++ {0.0} {} {7.HA} 4.03500 0.07363 0.15150 ++ {0.0} {} 0.0 12.7611 0 {} 0
3 {6.HN} 7.69250 0.04152 0.06475 ++ {0.0} {} {6.HA} 4.14920 0.09460 0.18329 ++ {0.0} {} 0.0 11.0911 0 {} 0
4 {2.HN} 8.67010 0.02924 0.04177 ++ {0.0} {} {2.HA} 4.44051 0.07154 0.18603 ++ {0.0} {} 0.0 20.9520 0 {} 0
5 {10.HN} 8.13245 0.03175 0.05263 ++ {0.0} {} {10.HA} 4.26900 0.06421 0.11568 ++ {0.0} {} 0.0 21.7359 0 {} 0
6 {9.HN} 8.19156 0.03376 0.04635 ++ {0.0} {} {9.HA} 4.35868 0.06473 0.16678 ++ {0.0} {} 0.0 18.4267 0 {} 0
7 {2.HN} 8.66974 0.02899 0.03234 ++ {0.0} {} {2.HB1} 1.91147 0.09362 0.10904 ++ {0.0} {} 0.0 6.4568 0 {} 0
8 {2.HN} 8.67027 0.02790 0.02462 ++ {0.0} {} {2.HG1} 1.71978 0.07439 0.06040 ++ {0.0} {} 0.0 4.5393 0 {} 0
9 {10.HN} 8.13758 0.03022 0.03904 ++ {0.0} {} {10.HG2} 1.72051 0.16658 0.19338 ++ {0.0} {} 0.0 8.4295 0 {} 0
10 {10.HN} 8.13555 0.03366 0.03407 ++ {0.0} {} {10.HB2} 1.93684 0.07588 0.07742 ++ {0.0} {} 0.0 5.5043 0 {} 0
11 {10.HE} 7.10788 0.03211 0.04171 ++ {0.0} {} {10.HG1} 1.68237 0.18069 0.20921 ++ {0.0} {} 0.0 9.8751 0 {} 0
12 {10.HE} 7.10738 0.03065 0.04998 ++ {0.0} {} {10.HD1} 3.21118 0.09028 0.19112 ++ {0.0} {} 0.0 27.6677 0 {} 0
13 {2.HE} 7.14417 0.02464 0.03520 ++ {0.0} {} {2.HD1} 3.21147 0.08918 0.16873 ++ {0.0} {} 0.0 16.1833 0 {} 0
14 {2.HE} 7.14728 0.03211 0.02473 ++ {0.0} {} {2.HG1} 1.71545 0.18069 0.11017 ++ {0.0} {} 0.0 9.8751 0 {} 0
15 {10.HG1} 1.66471 0.03497 0.04996 ++ {0.0} {} {10.HE} 7.11820 0.07082 0.04515 ++ {0.0} {} 35.0 1294.5800 0 {} 0
16 {2.HE} 7.13649 0.02243 0.03204 ++ {0.0} {} {2.HB1} 1.92008 0.10328 0.04360 ++ {0.0} {} 0.0 3.4179 0 {} 0
17 {8.HN} 8.04453 0.03053 0.04266 ++ {0.0} {} {8.HA} 4.67784 0.08807 0.15478 ++ {0.0} {} 0.0 14.6555 0 {} 0
18 {8.HN} 8.04709 0.00912 0.03989 ++ {0.0} {} {8.HB2} 3.26015 0.12463 0.17713 ++ {0.0} {} 0.0 9.8303 0 {} 0
19 {9.HN} 8.18954 0.01768 0.02526 ++ {0.0} {} {9.HG2} 2.38133 0.06450 0.12608 ++ {0.0} {} 0.0 9.4917 0 {} 0
20 {4.HG1} 2.41847 0.03431 0.04901 ++ {0.0} {} {4.HA} 4.36467 0.07573 0.11894 ++ {0.0} {} 0.0 12.6560 0 {} 0
21 {9.HG2} 2.35597 0.06707 0.05399 ++ {0.0} {} {9.HA} 4.36319 0.07200 0.10792 ++ {0.0} {} 0.0 15.6476 0 {} 0
22 {9.HG1} 2.12359 0.03911 0.04725 ++ {0.0} {} {9.HA} 4.36389 0.07325 0.06523 ++ {0.0} {} 0.0 13.9576 0 {} 0
23 {9.HB1} 1.99723 0.05622 0.08752 ++ {0.0} {} {9.HA} 4.36734 0.07309 0.12292 ++ {0.0} {} 0.0 11.7971 0 {} 0
24 {5.HN} 8.02171 0.03053 0.04790 ++ {0.0} {} {5.HA} 4.24629 0.08807 0.11881 ++ {0.0} {} 0.0 14.6555 0 {} 0
25 {5.HN} 8.01870 0.03495 0.03917 ++ {0.0} {} {5.HG} 1.63152 0.15163 0.10169 ++ {0.0} {} 0.0 4.2851 0 {} 0
26 {5.HN} 8.01989 0.03495 0.04332 ++ {0.0} {} {5.HB1} 1.71373 0.15163 0.14497 ++ {0.0} {} 0.0 4.2851 0 {} 0
27 {9.HN} 8.19003 0.03302 0.04356 ++ {0.0} {} {9.HB2} 1.99672 0.09007 0.18775 ++ {0.0} {} 0.0 5.5165 0 {} 0
28 {9.HN} 8.19137 0.00737 0.01958 ++ {0.0} {} {9.HG1} 2.13888 0.10040 0.06967 ++ {0.0} {} 0.0 2.0699 0 {} 0
29 {4.HN} 8.04064 0.03053 0.04313 ++ {0.0} {} {4.HA} 4.35229 0.08807 0.16137 ++ {0.0} {} 0.0 14.6555 0 {} 0
30 {4.HN} 8.04013 0.02636 0.02826 ++ {0.0} {} {4.HG2} 2.43427 0.05811 0.06402 ++ {0.0} {} 0.0 5.8351 0 {} 0
31 {4.HN} 8.04114 0.02873 0.02689 ++ {0.0} {} {4.HB2} 2.03030 0.08481 0.07629 ++ {0.0} {} 0.0 4.7630 0 {} 0
32 {10.HG1} 1.66671 0.05363 0.07830 ++ {0.0} {} {10.HA} 4.26709 0.08872 0.14653 ++ {0.0} {} 0.0 12.5249 0 {} 0
33 {10.HG2} 1.67247 0.06495 0.09168 ++ {0.0} {} {10.HD2} 3.21067 0.09435 0.17121 ++ {0.0} {} 0.0 26.3833 0 {} 0
34 {10.HG2} 1.66818 0.04970 0.06131 ++ {0.0} {} {10.HB2} 1.93882 0.07402 0.09809 ++ {0.0} {} 0.0 15.1698 0 {} 0
35 {10.HB1} 1.78612 0.05595 0.07220 ++ {0.0} {} {10.HD1} 3.21706 0.09244 0.12930 ++ {0.0} {} 0.0 16.4654 0 {} 0
36 {10.HB1} 1.77316 0.05634 0.07367 ++ {0.0} {} {10.HG1} 1.71525 0.16136 0.20074 ++ {0.0} {} 0.0 17.6962 0 {} 0
37 {} 1.79447 0.06976 0.09966 ++ {0.0} {} {} 4.37446 0.17249 0.13988 ++ {0.0} {} 0.0 7.5451 -1 {} 0
38 {3.HB1} 3.86115 0.07565 0.07768 ++ {0.0} {} {3.HA} 4.35244 0.08725 0.08889 ++ {0.0} {} 0.0 25.4734 0 {} 0
39 {9.HG1} 2.12921 0.03544 0.05063 ++ {0.0} {} {9.HG2} 2.39412 0.14762 0.13545 ++ {0.0} {} 0.0 18.3444 0 {} 0
40 {9.HB2} 1.99657 0.03441 0.04915 ++ {0.0} {} {9.HG2} 2.39301 0.11521 0.07316 ++ {0.0} {} 0.0 14.6484 0 {} 0
41 {7.HA} 4.02192 0.03494 0.05764 ++ {0.0} {} {7.HG11} 0.88582 0.08165 0.14227 ++ {0.0} {} 0.0 22.4176 0 {} 0
42 {6.HA} 4.12041 0.02588 0.03179 ++ {0.0} {} {6.HD11} 0.88590 0.07699 0.09213 ++ {0.0} {} 0.0 5.2195 0 {} 0
43 {6.HN} 7.69263 0.03700 0.03889 ++ {0.0} {} {6.HB} 1.90697 0.06847 0.07398 ++ {0.0} {} 0.0 537.8427 0 {} 0
44 {6.HN} 7.69322 0.03195 0.05192 ++ {0.0} {} {6.HD11} 0.86226 0.06964 0.11466 ++ {0.0} {} 0.0 1399.1162 0 {} 0
45 {7.HN} 7.77514 0.03867 0.03273 ++ {0.0} {} {7.HB} 2.07136 0.10350 0.08033 ++ {0.0} {} 0.0 404.0608 0 {} 0
46 {6.HN} 7.69361 0.01547 0.02210 ++ {0.0} {} {6.HG11} 1.17708 0.08360 0.04799 ++ {0.0} {} 0.0 142.0413 0 {} 0
47 {7.HN} 7.77438 0.04057 0.08171 ++ {0.0} {} {7.HG21} 0.87421 0.09191 0.16988 ++ {0.0} {} 0.0 1265.9551 0 {} 0
48 {2.HN} 8.67342 0.02334 0.02075 ++ {0.0} {} {2.HD1} 3.20076 0.08211 0.06951 ++ {0.0} {} 0.0 343.0079 0 {} 0
49 {10.HN} 8.13610 0.03639 0.04545 ++ {0.0} {} {10.HD1} 3.20149 0.07291 0.10266 ++ {0.0} {} 0.0 668.2820 0 {} 0
50 {7.HA} 4.02822 0.03985 0.04293 ++ {0.0} {} {7.HB} 2.07159 0.10768 0.12051 ++ {0.0} {} 0.0 701.7006 0 {} 0
51 {4.HA} 4.34014 0.03961 0.04511 ++ {0.0} {} {4.HG2} 2.38491 0.12689 0.15503 ++ {0.0} {} 0.0 806.7979 0 {} 0
52 {10.HA} 4.27921 0.03827 0.03777 ++ {0.0} {} {10.HD1} 3.20133 0.07871 0.07707 ++ {0.0} {} 0.0 605.5016 0 {} 0
53 {3.HA} 4.32130 0.03165 0.04136 ++ {0.0} {} {3.HB1} 3.88302 0.10767 0.15774 ++ {0.0} {} 0.0 1097.6823 0 {} 0
54 {4.HA} 4.34643 0.03114 0.02893 ++ {0.0} {} {4.HG1} 2.11707 0.11998 0.10761 ++ {0.0} {} 0.0 560.3727 0 {} 0
55 {4.HA} 4.33415 0.04038 0.04418 ++ {0.0} {} {4.HB1} 2.01146 0.12943 0.14488 ++ {0.0} {} 0.0 716.2847 0 {} 0
56 {2.HA} 4.27613 0.03649 0.03978 ++ {0.0} {} {2.HG1} 1.69363 0.17273 0.18339 ++ {0.0} {} 0.0 706.0986 0 {} 0
57 {5.HA} 4.22113 0.04152 0.03977 ++ {0.0} {} {5.HB1} 1.68985 0.16787 0.16100 ++ {0.0} {} 0.0 581.2367 0 {} 0
58 {2.HD1} 3.19132 0.04619 0.08364 ++ {0.0} {} {2.HG1} 1.69198 0.14193 0.23508 ++ {0.0} {} 0.0 5213.3511 0 {} 0
59 {2.HD2} 3.19370 0.04560 0.07005 ++ {0.0} {} {2.HB2} 1.92399 0.09246 0.21051 ++ {0.0} {} 0.0 2573.3931 0 {} 0
60 {} 3.19204 0.03605 0.12768 ++ {0.0} {} {} 3.20415 0.08018 0.20438 ++ {0.0} {} 0.0 12323.0518 -1 {} 0
61 {} 3.19745 0.03605 0.06213 ++ {0.0} {} {} 3.36535 0.08018 0.18311 ++ {0.0} {} 0.0 12323.0518 -1 {} 0
62 {} 3.27392 0.04107 0.05867 ++ {0.0} {} {} 3.26657 0.13433 0.21968 ++ {0.0} {} 0.0 1978.2822 -1 {} 0
63 {} 3.30698 0.02882 0.04303 ++ {0.0} {} {} 3.30669 0.08127 0.11332 ++ {0.0} {} 0.0 1020.7308 -1 {} 0
64 {10.HD1} 3.18801 0.03757 0.04496 ++ {0.0} {} {10.HA} 4.28014 0.05670 0.07472 ++ {0.0} {} 0.0 905.9291 0 {} 0
65 {2.HD1} 3.19266 0.04274 0.04429 ++ {0.0} {} {2.HA} 4.43388 0.07932 0.08392 ++ {0.0} {} 0.0 656.1920 0 {} 0
66 {8.HB1} 3.21308 0.04974 0.07432 ++ {0.0} {} {8.HA} 4.68658 0.08511 0.10645 ++ {0.0} {} 0.0 824.9393 0 {} 0
67 {8.HB2} 3.27422 0.03747 0.06650 ++ {0.0} {} {8.HA} 4.68734 0.08226 0.10301 ++ {0.0} {} 0.0 826.6098 0 {} 0
68 {10.HB2} 1.92356 0.04990 0.08317 ++ {0.0} {} {10.HD2} 3.21672 0.07963 0.15896 ++ {0.0} {} 0.0 2294.8743 0 {} 0
69 {10.HB1} 1.79353 0.05065 0.04971 ++ {0.0} {} {10.HA} 4.28593 0.05957 0.05787 ++ {0.0} {} 0.0 601.0086 0 {} 0
70 {10.HB2} 1.91556 0.04786 0.04803 ++ {0.0} {} {10.HA} 4.28174 0.08655 0.08675 ++ {0.0} {} 0.0 619.6009 0 {} 0
71 {5.HD11} 0.93376 0.02635 0.03169 ++ {0.0} {} {5.HA} 4.24873 0.09523 0.12310 ++ {0.0} {} 0.0 873.8692 0 {} 0
72 {6.HD11} 0.85369 0.02984 0.04691 ++ {0.0} {} {6.HA} 4.12333 0.24474 0.33564 ++ {0.0} {} 0.0 3191.9731 0 {} 0
73 {7.HG11} 0.89223 0.02803 0.04303 ++ {0.0} {} {7.HA} 4.04257 0.06466 0.10973 ++ {0.0} {} 0.0 2039.7147 0 {} 0
74 {7.HG11} 0.88887 0.03012 0.04303 ++ {0.0} {} {7.HB} 2.06964 0.11724 0.22952 ++ {0.0} {} 0.0 3544.0088 0 {} 0
75 {7.HG11} 0.84630 0.03064 0.05420 ++ {0.0} {} {7.HB} 2.06850 0.12369 0.18775 ++ {0.0} {} 0.0 3653.9392 0 {} 0
76 {6.HD11} 0.85196 0.03424 0.05689 ++ {0.0} {} {6.HB} 1.90352 0.06599 0.12434 ++ {0.0} {} 0.0 5343.6445 0 {} 0
77 {5.HD11} 0.93619 0.02521 0.04389 ++ {0.0} {} {5.HB1} 1.67671 0.11197 0.23878 ++ {0.0} {} 0.0 5633.7627 0 {} 0
78 {5.HD21} 0.87557 0.02412 0.04452 ++ {0.0} {} {5.HB2} 1.67457 0.10678 0.24229 ++ {0.0} {} 0.0 5112.1040 0 {} 0
79 {6.HD11} 0.85238 0.03823 0.06189 ++ {0.0} {} {6.HG11} 1.47964 0.18725 0.25391 ++ {0.0} {} 0.0 4521.9185 0 {} 0
80 {6.HD11} 0.85069 0.03165 0.06234 ++ {0.0} {} {6.HG11} 1.17690 0.07203 0.15252 ++ {0.0} {} 0.0 3899.6838 0 {} 0
81 {6.HG11} 1.16647 0.07407 0.09476 ++ {0.0} {} {6.HD11} 0.85531 0.05112 0.08294 ++ {0.0} {} 0.0 1637.2712 0 {} 0
82 {6.HG11} 1.46936 0.06765 0.11114 ++ {0.0} {} {6.HD11} 0.85628 0.06755 0.11240 ++ {0.0} {} 0.0 1839.8500 0 {} 0
83 {5.HG} 1.58391 0.05308 0.08808 ++ {0.0} {} {5.HD11} 0.91204 0.07656 0.15786 ++ {0.0} {} 0.0 2388.2625 0 {} 0
84 {5.HB1} 1.70109 0.06683 0.10907 ++ {0.0} {} {5.HD11} 0.91653 0.07822 0.17000 ++ {0.0} {} 0.0 2578.8525 0 {} 0
85 {6.HB} 1.90059 0.05880 0.10086 ++ {0.0} {} {6.HD11} 0.85835 0.06586 0.11484 ++ {0.0} {} 0.0 2412.1233 0 {} 0
86 {7.HB} 2.06192 0.07072 0.11722 ++ {0.0} {} {7.HG11} 0.87520 0.10064 0.21455 ++ {0.0} {} 0.0 2834.8914 0 {} 0
87 {9.HG2} 2.35708 0.04170 0.06719 ++ {0.0} {} {9.HB2} 1.99968 0.13143 0.18775 ++ {0.0} {} 0.0 2697.6064 0 {} 0
88 {9.HG2} 2.34707 0.03448 0.07019 ++ {0.0} {} {9.HG1} 2.12921 0.13290 0.18420 ++ {0.0} {} 0.0 2299.0454 0 {} 0
89 {4.HG1} 2.42223 0.05010 0.08214 ++ {0.0} {} {4.HB1} 2.11163 0.10450 0.22272 ++ {0.0} {} 0.0 1878.9674 0 {} 0
90 {4.HG1} 2.40952 0.02489 0.02380 ++ {0.0} {} {4.HN} 8.07621 0.09194 0.08681 ++ {0.0} {} 0.0 585.4737 0 {} 0
91 {9.HG2} 2.34826 0.03291 0.04254 ++ {0.0} {} {9.HN} 8.22571 0.05666 0.07641 ++ {0.0} {} 0.0 948.7350 0 {} 0
92 {9.HG1} 2.11842 0.01784 0.02548 ++ {0.0} {} {9.HN} 8.22329 0.07758 0.05589 ++ {0.0} {} 0.0 483.0659 0 {} 0
93 {9.HB1} 1.98887 0.02810 0.04014 ++ {0.0} {} {9.HN} 8.22741 0.06111 0.03496 ++ {0.0} {} 0.0 432.8998 0 {} 0
94 {10.HB2} 1.91421 0.03088 0.02755 ++ {0.0} {} {10.HN} 8.16338 0.06015 0.05369 ++ {0.0} {} 0.0 558.1599 0 {} 0
95 {10.HB1} 1.79301 0.03487 0.04982 ++ {0.0} {} {10.HN} 8.16210 0.05971 0.04945 ++ {0.0} {} 0.0 527.5182 0 {} 0
96 {10.HG1} 1.66793 0.04719 0.06248 ++ {0.0} {} {10.HN} 8.15929 0.08083 0.11336 ++ {0.0} {} 0.0 1034.5046 0 {} 0
97 {2.HG1} 1.70654 0.02758 0.03940 ++ {0.0} {} {2.HN} 8.70227 0.10607 0.05918 ++ {0.0} {} 0.0 428.6617 0 {} 0
98 {2.HG1} 1.68864 0.06169 0.08539 ++ {0.0} {} {2.HE} 7.17863 0.08484 0.13082 ++ {0.0} {} 0.0 1294.5793 0 {} 0
99 {10.HB1} 1.78279 0.05373 0.06228 ++ {0.0} {} {10.HE} 7.13951 0.09466 0.09996 ++ {0.0} {} 0.0 654.7635 0 {} 0
100 {2.HB1} 1.91927 0.04513 0.04983 ++ {0.0} {} {2.HE} 7.17682 0.07600 0.08971 ++ {0.0} {} 0.0 754.1777 0 {} 0
101 {7.HG21} 0.89094 0.03633 0.03900 ++ {0.0} {} {7.HN} 7.81861 0.11467 0.15349 ++ {0.0} {} 0.0 739.1241 0 {} 0
102 {7.HG21} 0.84710 0.03379 0.04612 ++ {0.0} {} {7.HN} 7.81804 0.14918 0.19236 ++ {0.0} {} 0.0 1364.8506 0 {} 0
103 {6.HB} 1.89917 0.02436 0.03480 ++ {0.0} {} {6.HN} 7.72030 0.06348 0.04251 ++ {0.0} {} 0.0 464.6281 0 {} 0
104 {2.HB1} 1.87547 0.03408 0.05300 ++ {0.0} {} {2.HA} 4.43484 0.07955 0.09511 ++ {0.0} {} 0.0 442.2544 0 {} 0
105 {2.HB1} 1.92404 0.03760 0.05804 ++ {0.0} {} {2.HA} 4.43051 0.08414 0.11775 ++ {0.0} {} 0.0 485.0784 0 {} 0
106 {6.HB} 1.90008 0.01831 0.02616 ++ {0.0} {} {6.HA} 4.14503 0.07257 0.07818 ++ {0.0} {} 0.0 399.5428 0 {} 0
107 {7.HB} 2.06300 0.01021 0.03487 ++ {0.0} {} {7.HA} 4.04829 0.06222 0.06180 ++ {0.0} {} 0.0 361.6905 0 {} 0
108 {6.HB} 1.90648 0.02236 0.03194 ++ {0.0} {} {6.HG11} 1.48360 0.06228 0.04023 ++ {0.0} {} 0.0 456.4957 0 {} 0
109 {6.HB} 1.90185 0.01934 0.02763 ++ {0.0} {} {6.HG12} 1.16549 0.07208 0.03110 ++ {0.0} {} 0.0 394.0854 0 {} 0
110 {} 4.77257 0.05014 0.05430 ++ {0.0} {} {} 0.87209 0.11561 0.13789 ++ {0.0} {} 0.0 724.8087 -1 {} 0
111 {1.HB2} 4.05013 0.02524 0.07582 ++ {0.0} {} {1.HA} 4.28040 0.06781 0.18775 ++ {0.0} {} 0.0 8206.0703 0 {} 0
112 {1.HA} 4.26756 0.02295 0.04542 ++ {0.0} {} {1.HB2} 4.06765 0.10759 0.20330 ++ {0.0} {} 0.0 4585.1621 0 {} 0
113 {8.HE2} 8.65832 0.01602 0.02754 ++ {0.0} {} {8.HD2} 7.39098 0.08081 0.16188 ++ {0.0} {} 0.0 3605.8743 0 {} 0
114 {8.HD2} 7.36328 0.01464 0.02607 ++ {0.0} {} {8.HE2} 8.69491 0.09310 0.13301 ++ {0.0} {} 0.0 2822.1694 0 {} 0
115 {9.HE21} 7.49120 0.01948 0.03632 ++ {0.0} {} {9.HE22} 6.78938 0.05498 0.09509 ++ {0.0} {} 0.0 2285.1960 0 {} 0
116 {9.HE22} 6.76680 0.02599 0.04457 ++ {0.0} {} {9.HE21} 7.51892 0.08287 0.16269 ++ {0.0} {} 0.0 3067.8428 0 {} 0
117 {10.HD1} 3.19819 0.04857 0.05747 ++ {0.0} {} {10.HN} 8.13342 0.16844 0.19619 ++ {0.0} {} 0.0 867.3975 0 {} 0
118 {8.HB2} 3.27457 0.03707 0.05231 ++ {0.0} {} {8.HN} 8.08139 0.08713 0.11615 ++ {0.0} {} 0.0 926.9779 0 {} 0
119 {10.HD1} 3.19291 0.02846 0.07202 ++ {0.0} {} {10.HE} 7.14771 0.07726 0.16134 ++ {0.0} {} 0.0 4458.7197 0 {} 0
120 {3.HB1} 3.85767 0.04383 0.07150 ++ {0.0} {} {3.HN} 8.34515 0.06111 0.09397 ++ {0.0} {} 0.0 1337.3147 0 {} 0
121 {7.HA} 4.02524 0.04359 0.06393 ++ {0.0} {} {7.HN} 7.81401 0.15550 0.19948 ++ {0.0} {} 0.0 1882.7552 0 {} 0
122 {6.HA} 4.12719 0.04389 0.06027 ++ {0.0} {} {6.HN} 7.71671 0.06557 0.10171 ++ {0.0} {} 0.0 1377.3038 0 {} 0
123 {5.HA} 4.22262 0.03223 0.03771 ++ {0.0} {} {5.HN} 8.06087 0.09132 0.11309 ++ {0.0} {} 0.0 811.6374 0 {} 0
124 {10.HA} 4.27323 0.03258 0.04930 ++ {0.0} {} {10.HN} 8.16335 0.05654 0.08816 ++ {0.0} {} 0.0 1401.9918 0 {} 0
125 {4.HA} 4.33929 0.02631 0.02963 ++ {0.0} {} {4.HN} 8.22871 0.07236 0.08433 ++ {0.0} {} 0.0 740.7264 0 {} 0
126 {3.HA} 4.32648 0.02486 0.03335 ++ {0.0} {} {3.HN} 8.33737 0.18328 0.23206 ++ {0.0} {} 0.0 1017.6669 0 {} 0
127 {2.HB2} 1.88010 0.04990 0.08317 ++ {0.0} {} {2.HD2} 3.20650 0.07963 0.15896 ++ {0.0} {} 0.0 2294.8743 0 {} 0
128 {} 4.74652 0.02301 0.01883 ++ {0.0} {} {} 4.06318 0.09880 0.06931 ++ {0.0} {} 0.0 476.0298 -1 {} 0
129 {6.HA} 4.11546 0.01619 0.02312 ++ {0.0} {} {6.HB} 1.91030 0.07046 0.05903 ++ {0.0} {} 0.0 340.4115 0 {} 0
130 {5.HG} 1.57459 0.02336 0.03337 ++ {0.0} {} {5.HN} 8.06452 0.09706 0.05956 ++ {0.0} {} 0.0 228.2940 0 {} 0
131 {2.HB1} 1.92267 0.06814 0.06984 ++ {0.0} {} {2.HN} 8.70547 0.09355 0.09489 ++ {0.0} {} 0.0 321.0935 0 {} 0
132 {2.HB1} 1.87714 0.03980 0.05686 ++ {0.0} {} {2.HN} 8.70656 0.08572 0.07056 ++ {0.0} {} 0.0 268.9164 0 {} 0
133 {7.HB} 2.05499 0.01917 0.02738 ++ {0.0} {} {7.HN} 7.81753 0.12165 0.11373 ++ {0.0} {} 0.0 297.1384 0 {} 0
134 {4.HB1} 2.02577 0.02887 0.02528 ++ {0.0} {} {4.HN} 8.07652 0.09810 0.08254 ++ {0.0} {} 0.0 273.1572 0 {} 0
135 {4.HB1} 2.12297 0.01369 0.04672 ++ {0.0} {} {4.HN} 8.07886 0.09035 0.08696 ++ {0.0} {} 0.0 240.1325 0 {} 0
136 {2.HB1} 1.86630 0.05120 0.05054 ++ {0.0} {} {2.HE} 7.17161 0.07853 0.07786 ++ {0.0} {} 0.0 313.7975 0 {} 0
137 {2.HD1} 3.19483 0.01888 0.02697 ++ {0.0} {} {2.HN} 8.70442 0.11085 0.07603 ++ {0.0} {} 0.0 240.8429 0 {} 0
138 {5.HB2} 1.72146 0.02439 0.03484 ++ {0.0} {} {5.HN} 8.06771 0.12425 0.09077 ++ {0.0} {} 0.0 249.3158 0 {} 0
139 {9.HA} 4.33461 0.02784 0.02825 ++ {0.0} {} {9.HN} 8.07751 0.08299 0.08450 ++ {0.0} {} 0.0 322.3492 0 {} 0
140 {2.HA} 4.41276 0.03217 0.03486 ++ {0.0} {} {2.HN} 8.70674 0.08353 0.09111 ++ {0.0} {} 0.0 348.1004 0 {} 0
141 {} 1.29332 0.01867 0.02000 ++ {0.0} {} {} 4.11647 0.07952 0.08693 ++ {0.0} {} 0.0 348.9947 -1 {} 0
142 {} 2.16349 0.01913 0.02733 ++ {0.0} {} {} 4.14479 0.06701 0.04834 ++ {0.0} {} 0.0 247.5176 -1 {} 0
143 {5.HG} 1.57381 0.03562 0.05089 ++ {0.0} {} {5.HA} 4.24876 0.08791 0.06286 ++ {0.0} {} 0.0 481.0681 0 {} 0
144 {2.HG1} 1.70594 0.06009 0.07061 ++ {0.0} {} {2.HA} 4.42880 0.08218 0.09961 ++ {0.0} {} 0.0 784.5046 0 {} 0
145 {10.HB2} 1.92074 0.05829 0.08925 ++ {0.0} {} {10.HG2} 1.69052 0.14469 0.22167 ++ {0.0} {} 0.0 2802.4409 0 {} 0
146 {6.HG12} 1.19737 0.02046 0.03152 ++ {0.0} {} {6.HG11} 1.39226 0.02041 0.03123 ++ {0.0} {} 0.0 2570.5100 0 {} 0
147 {} 1.20053 0.02546 0.02640 ++ {0.0} {} {} 1.50868 0.03503 0.03678 ++ {0.0} {} 0.0 1270.6670 -1 {} 0
148 {9.HB1} 1.99249 0.08244 0.14050 ++ {0.0} {} {9.HG1} 2.16678 0.12004 0.11910 ++ {0.0} {} 0.0 2921.3589 0 {} 0
149 {9.HG1} 2.10992 0.07920 0.10605 ++ {0.0} {} {9.HB1} 1.99290 0.11309 0.12781 ++ {0.0} {} 0.0 4873.5093 0 {} 0
150 {6.HG11} 1.46138 0.01877 0.05466 ++ {0.0} {} {6.HB} 1.91132 0.06279 0.08216 ++ {0.0} {} 0.0 367.1013 0 {} 0
151 {6.HG12} 1.17458 0.01877 0.05982 ++ {0.0} {} {6.HB} 1.91011 0.06279 0.10619 ++ {0.0} {} 0.0 367.1013 0 {} 0
152 {} 1.20053 0.02546 0.04018 ++ {0.0} {} {} 1.50868 0.03503 0.05643 ++ {0.0} {} 0.0 1270.6670 -1 {} 0
153 {2.HD1} 3.19291 0.02846 0.05439 ++ {0.0} {} {2.HE} 7.14771 0.07726 0.15990 ++ {0.0} {} 0.0 4458.7197 0 {} 0
154 {10.HG1} 1.66471 0.06169 0.07204 ++ {0.0} {} {10.HE} 7.11820 0.08484 0.09547 ++ {0.0} {} 0.0 1294.5793 0 {} 0
155 {10.HB2} 1.91756 0.04513 0.05415 ++ {0.0} {} {10.HE} 7.13331 0.07600 0.10217 ++ {0.0} {} 0.0 754.1777 0 {} 0
156 {4.HN} 8.04234 0.02489 0.02769 ++ {0.0} {} {4.HB1} 2.11084 0.07636 0.08736 ++ {0.0} {} 0.0 722.2034 0 {} 0
157 {4.HB1} 2.12398 0.02231 0.04995 ++ {0.0} {} {4.HA} 4.33310 0.05926 0.05425 ++ {0.0} {} 0.0 1402.9021 0 {} 0
158 {5.HB1} 1.71187 0.04562 0.05518 ++ {0.0} {} {5.HA} 4.25300 0.07442 0.07996 ++ {0.0} {} 0.0 1709.5181 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 . 8012.82 Hz . . . 2350.94 . . 30443 1
2 . . C 13 H 1 . 8012.82 Hz . . . 2350.94 . . 30443 1
stop_
save_