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 30816
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 5
_Spectral_peak_list.Sample_label $sample_5
_Spectral_peak_list.Sample_condition_list_ID 2
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_2
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_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
200113h3h4d20.nv
8012.820801 8012.820801
800.2390137 800.2390137
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 flag8 flag9
0 {100.h1'} 5.58686 0.01319 0.02187 ++ {0.0} {} {100.h6} 7.67111 0.0364 0.05528 ++ {0.0} {} 0 0.4775 0 {} 0 0 0
1 {100.h1'} 5.5869 0.01842 0.05596 ++ {0.0} {} {101.h8} 8.02279 0.0369 0.06912 ++ {0.0} {} 0 2.4915 0 {} 0 0 0
2 {100.h5} 5.32011 0.01868 0.05292 ++ {0.0} {} {100.h6} 7.67488 0.03272 0.06327 ++ {0.0} {} 0 2.2174 0 {} 0 0 0
3 {101.h1'} 5.99477 0.01275 0.01567 ++ {0.0} {} {102.h8} 7.44291 0.03719 0.04887 ++ {0.0} {} 0 0.5236 0 {} 0 0 0
4 {101.h1'} 5.99786 0.00982 0.00928 ++ {0.0} {} {101.h8} 8.01818 0.02559 0.02399 ++ {0.0} {} 0 0.3291 0 {} 0 0 0
5 {102.h1'} 5.81941 0.01262 0.01941 ++ {0.0} {} {101.h2} 7.31495 0.02693 0.0418 ++ {0.0} {} 0 0.781 0 {} 0 0 0
6 {102.h1'} 5.81869 0.01262 0.01941 ++ {0.0} {} {102.h8} 7.44149 0.02693 0.0418 ++ {0.0} {} 0 0.781 0 {} 0 0 0
7 {43.h1'} 5.68867 0.01321 0.03174 ++ {0.0} {} {43.h6} 8.17198 0.02496 0.04347 ++ {0.0} {} 0 1.038 0 {} 0 0 0
8 {43.h1'} 5.68932 0.01396 0.01555 ++ {0.0} {} {44.h6} 8.09491 0.02551 0.02996 ++ {0.0} {} 0 0.3389 0 {} 0 0 0
9 {43.h5} 6.12823 0.01634 0.04239 ++ {0.0} {} {43.h6} 8.17187 0.02371 0.05136 ++ {0.0} {} 0 6.2218 0 {} 0 0 0
10 {44.h1'} 5.76748 0.01125 0.0168 ++ {0.0} {} {44.h6} 8.09587 0.02033 0.03041 ++ {0.0} {} 0 0.5547 0 {} 0 0 0
11 {44.h1'} 5.77111 0.02271 0.05173 ++ {0.0} {} {45.h8} 7.87696 0.03085 0.06406 ++ {0.0} {} 0 1.6714 0 {} 0 0 0
12 {44.h5} 5.61393 0.01842 0.05871 ++ {0.0} {} {44.h6} 8.0918 0.0369 0.07009 ++ {0.0} {} 0 2.4915 0 {} 0 0 0
13 {45.h1'} 5.89346 0.01114 0.01476 ++ {0.0} {} {45.h8} 7.86842 0.02491 0.03178 ++ {0.0} {} 0 0.3864 0 {} 0 0 0
14 {45.h1'} 5.89381 0.01408 0.0156 ++ {0.0} {} {46.h6} 7.6587 0.0372 0.04217 ++ {0.0} {} 0 0.3216 0 {} 0 0 0
15 {45.h1'} 5.89402 0.01261 0.01356 ++ {0.0} {} {101.h2} 7.30854 0.03191 0.03511 ++ {0.0} {} 0 0.3886 0 {} 0 0 0
16 {46..h1'} 5.58881 0.01319 0.01885 ++ {0.0} {} {46.h6} 7.65775 0.0364 0.05141 ++ {0.0} {} 0 0.4775 0 {} 0 0 0
17 {46.h1'} 5.58411 0.0235 0.02762 ++ {0.0} {} {47.h6} 8.05224 0.05423 0.05727 ++ {0.0} {} 0 0.2627 0 {} 0 0 0
18 {46.h5} 5.28021 0.01868 0.05043 ++ {0.0} {} {46.h6} 7.65755 0.03272 0.06245 ++ {0.0} {} 0 2.2174 0 {} 0 0 0
19 {47.h1'} 5.71352 0.01249 0.01767 ++ {0.0} {} {47.h6} 8.07169 0.03195 0.04527 ++ {0.0} {} 0 0.5088 0 {} 0 0 0
20 {47.h1'} 5.71187 0.01214 0.01507 ++ {0.0} {} {48.h6} 7.98608 0.02235 0.02814 ++ {0.0} {} 0 0.3775 0 {} 0 0 0
21 {47.h5} 5.63851 0.02076 0.03496 ++ {0.0} {} {47.h6} 8.06489 0.03955 0.0692 ++ {0.0} {} 0 1.8085 0 {} 0 0 0
22 {48.h1'} 5.68226 0.01159 0.02137 ++ {0.0} {} {48.h6} 7.97734 0.03377 0.05937 ++ {0.0} {} 0 0.6325 0 {} 0 0 0
23 {48.h1'} 5.68429 0.01159 0.02137 ++ {0.0} {} {49.h6} 7.8679 0.03377 0.05937 ++ {0.0} {} 0 0.6325 0 {} 0 0 0
24 {48.h5} 5.78444 0.02027 0.04875 ++ {0.0} {} {48.h6} 7.97951 0.02591 0.05738 ++ {0.0} {} 0 1.522 0 {} 0 0 0
25 {48.h5} 5.55916 0.01321 0.00889 ++ {0.0} {} {47.h6} 7.98367 0.02521 0.01231 ++ {0.0} {} 0 0.1851 0 {} 0 0 0
26 {49.h1'} 6.0314 0.0235 0.03127 ++ {0.0} {} {50.h8} 8.5229 0.05423 0.06077 ++ {0.0} {} 0 0.2627 0 {} 0 0 0
27 {49.h1'} 6.02978 0.02002 0.04862 ++ {0.0} {} {49.h6} 7.86544 0.03705 0.07003 ++ {0.0} {} 0 2.6789 0 {} 0 0 0
28 {49.h5} 5.55751 0.02002 0.04862 ++ {0.0} {} {49.h6} 7.87546 0.03705 0.07003 ++ {0.0} {} 0 2.6789 0 {} 0 0 0
29 {50.h1'} 6.22947 0.00982 0.01474 ++ {0.0} {} {50.h8} 8.51181 0.02559 0.03726 ++ {0.0} {} 0 0.3291 0 {} 0 0 0
30 {50.h8} 6.23167 0.01694 0.0242 ++ {0.0} {} {51.h6} 7.81808 0.0258 0.03986 ++ {0.0} {} 0 0.4921 0 {} 0 0 0
31 {51.h1'} 6.26288 0.01261 0.01729 ++ {0.0} {} {50.h2} 7.33823 0.03191 0.04642 ++ {0.0} {} 0 0.3886 0 {} 0 0 0
32 {51.h1'} 5.59394 0.01408 0.01772 ++ {0.0} {} {51.h6} 7.82875 0.0372 0.04914 ++ {0.0} {} 0 0.3216 0 {} 0 0 0
33 {51.h1'} 5.59383 0.01114 0.01741 ++ {0.0} {} {52.h6} 7.93074 0.02491 0.03539 ++ {0.0} {} 0 0.3864 0 {} 0 0 0
34 {51.h5} 5.80103 0.01868 0.05043 ++ {0.0} {} {51.h6} 7.82271 0.03272 0.06245 ++ {0.0} {} 0 2.2174 0 {} 0 0 0
35 {52.h1'} 5.61505 0.00561 0.00561 ++ {0.0} {} {52.h6} 7.94733 0.0198 0.00551 ++ {0.0} {} 0 0.13 0 {} 0 0 0
36 {52.h1'} 5.61452 0.01263 0.02958 ++ {0.0} {} {53.h6} 7.97182 0.03413 0.05486 ++ {0.0} {} 0 0.6171 0 {} 0 0 0
37 {52.h5} 5.50473 0.01319 0.02187 ++ {0.0} {} {51.h6} 7.04364 0.0364 0.05528 ++ {0.0} {} 0 0.4775 -1 {} 0 0 0
38 {52.h5} 5.58626 0.01975 0.04149 ++ {0.0} {} {52.h6} 7.9348 0.03141 0.0664 ++ {0.0} {} 0 3.1416 0 {} 0 0 0
39 {53.h1'} 5.3653 0.01214 0.01507 ++ {0.0} {} {53.h6} 7.87002 0.02235 0.02814 ++ {0.0} {} 0 0.3775 0 {} 0 0 0
40 {53.h1'} 5.6827 0.01692 0.02921 ++ {0.0} {} {54.h6} 7.77615 0.03049 0.04802 ++ {0.0} {} 0 0.5741 0 {} 0 0 0
41 {53.h1'} 5.71142 0.01692 0.02921 ++ {0.0} {} {54.h6} 7.89858 0.03049 0.04802 ++ {0.0} {} 0 0.5741 0 {} 0 0 0
42 {53.h5} 5.46343 0.02271 0.05391 ++ {0.0} {} {53.h6} 7.95974 0.03085 0.06567 ++ {0.0} {} 0 1.6714 0 {} 0 0 0
43 {54.h1'} 5.71098 0.013 0.02177 ++ {0.0} {} {93.h2} 7.54061 0.02954 0.05076 ++ {0.0} {} 0 0.6866 0 {} 0 0 0
44 {54.h1'} 5.7116 0.01249 0.01767 ++ {0.0} {} {54.h6} 7.8965 0.03195 0.04527 ++ {0.0} {} 0 0.5088 0 {} 0 0 0
45 {54.h1'} 5.71121 0.01275 0.01963 ++ {0.0} {} {55.h6} 7.73703 0.03379 0.05193 ++ {0.0} {} 0 0.5602 0 {} 0 0 0
46 {54.h5} 5.74825 0.02076 0.03496 ++ {0.0} {} {54.h6} 7.89984 0.03955 0.0692 ++ {0.0} {} 0 1.8085 0 {} 0 0 0
47 {92.h1'} 5.96507 0.0191 0.02283 ++ {0.0} {} {93.h8} 7.71279 0.05365 0.05931 ++ {0.0} {} 0 0.3476 0 {} 0 0 0
48 {92.h1'} 5.96227 0.0191 0.02283 ++ {0.0} {} {92.h8} 7.74521 0.05365 0.05931 ++ {0.0} {} 0 0.3476 0 {} 0 0 0
49 {93.h1'} 5.94212 0.01356 0.02109 ++ {0.0} {} {94.h8} 7.02919 0.02765 0.03931 ++ {0.0} {} 0 0.4835 0 {} 0 0 0
50 {93.h1'} 5.94185 0.01144 0.02129 ++ {0.0} {} {92.h2} 7.16859 0.03171 0.05106 ++ {0.0} {} 0 0.6542 0 {} 0 0 0
51 {93.h1'} 5.94197 0.01494 0.01981 ++ {0.0} {} {93.h8} 7.71117 0.0263 0.0355 ++ {0.0} {} 0 0.4302 0 {} 0 0 0
52 {93.h1'} 5.94303 0.00916 0.00375 ++ {0.0} {} {93.h2} 7.54431 0.02501 0.00346 ++ {0.0} {} 0 0.1202 0 {} 0 0 0
53 {94.h1'} 5.61442 0.01358 0.03143 ++ {0.0} {} {94.h8} 7.03439 0.02429 0.04667 ++ {0.0} {} 0 1.2993 0 {} 0 0 0
54 {94.h1'} 5.61137 0.01399 0.02807 ++ {0.0} {} {93.h2} 7.54045 0.03289 0.05872 ++ {0.0} {} 0 0.8548 0 {} 0 0 0
55 {94.h1'} 5.61216 0.01358 0.03143 ++ {0.0} {} {95.h8} 7.02532 0.02429 0.04667 ++ {0.0} {} 0 1.2993 0 {} 0 0 0
56 {95.h1'} 5.73463 0.01256 0.02611 ++ {0.0} {} {95.h8} 7.01754 0.02626 0.04995 ++ {0.0} {} 0 1.0209 0 {} 0 0 0
57 {95.h1'} 5.73438 0.01261 0.01729 ++ {0.0} {} {96.h8} 7.917 0.03191 0.04642 ++ {0.0} {} 0 0.3886 0 {} 0 0 0
58 {96.h1'} 5.98208 0.01275 0.01831 ++ {0.0} {} {97.h8} 7.38759 0.03719 0.05737 ++ {0.0} {} 0 0.5236 0 {} 0 0 0
59 {96.h1'} 5.97889 0.00982 0.01317 ++ {0.0} {} {96.h8} 7.92153 0.02559 0.03378 ++ {0.0} {} 0 0.3291 0 {} 0 0 0
60 {97.h1'} 5.70635 0.01694 0.0242 ++ {0.0} {} {96.h2} 7.64656 0.0258 0.03986 ++ {0.0} {} 0 0.4921 0 {} 0 0 0
61 {97.h1'} 5.69884 0.01262 0.02322 ++ {0.0} {} {97.h8} 7.39507 0.02693 0.04793 ++ {0.0} {} 0 0.781 0 {} 0 0 0
62 {97.h1'} 5.69725 0.01272 0.01817 ++ {0.0} {} {98.h8} 7.11899 0.02529 0.03639 ++ {0.0} {} 0 0.3987 0 {} 0 0 0
63 {98.h1'} 5.79606 0.01402 0.0383 ++ {0.0} {} {99.h8} 7.29549 0.02296 0.04024 ++ {0.0} {} 0 0.9055 0 {} 0 0 0
64 {98.h1'} 5.78591 0.01272 0.01817 ++ {0.0} {} {98.h8} 7.11333 0.02529 0.03639 ++ {0.0} {} 0 0.3987 0 {} 0 0 0
65 {99.h1'} 5.80893 0.01501 0.02848 ++ {0.0} {} {99.h8} 7.3025 0.024 0.04036 ++ {0.0} {} 0 0.7024 0 {} 0 0 0
66 {99.h1'} 5.80148 0.01565 0.03129 ++ {0.0} {} {100.h6} 7.67589 0.02323 0.03887 ++ {0.0} {} 0 0.6857 0 {} 0 0 0
67 {53.h1'} 5.70588 0.00901 0.01234 ++ {0.0} {} {53.h6} 7.97896 0.01993 0.02736 ++ {0.0} {} 0 0.3161 0 {} 0 0 0
68 {53.h5} 5.52108 0.01823 0.04572 ++ {0.0} {} {53.h6} 7.97807 0.02034 0.03829 ++ {0.0} {} 0 1.6898 0 {} 0 0 0
69 {54.h1'} 5.75483 0.00982 0.01487 ++ {0.0} {} {93.h2} 7.57734 0.02675 0.04658 ++ {0.0} {} 0 0.3 0 {} 0 0 0
70 {54.h1'} 5.7573 0.02325 0.03837 ++ {0.0} {} {55.h6} 7.82628 0.03081 0.06454 ++ {0.0} {} 0 1.097 0 {} 0 0 0
71 {54.h1'} 5.75518 0.02008 0.06229 ++ {0.0} {} {54.h6} 8.06423 0.02561 0.05664 ++ {0.0} {} 0 1.9418 0 {} 0 0 0
72 {54.h5} 5.76122 0.02008 0.06229 ++ {0.0} {} {54.h6} 8.06655 0.02561 0.05664 ++ {0.0} {} 0 1.9418 0 {} 0 0 0
73 {54.h6} 5.70801 0.01318 0.01882 ++ {0.0} {} {53.h1} 8.07005 0.02605 0.04153 ++ {0.0} {} 0 0.4883 0 {} 0 0 0
74 {55.h1'} 5.69436 0.00793 0.00757 ++ {0.0} {} {92.h2} 7.19558 0.02063 0.01946 ++ {0.0} {} 0 0.1404 0 {} 0 0 0
75 {55.h1'} 5.69444 0.00549 0.00575 ++ {0.0} {} {55.h6} 7.81515 0.04362 0.04725 ++ {0.0} {} 0 0.1604 0 {} 0 0 0
76 {55.h5} 5.72949 0.02325 0.03837 ++ {0.0} {} {55.h6} 7.81926 0.03081 0.06454 ++ {0.0} {} 0 1.097 0 {} 0 0 0
77 {55.h5} 5.72265 0.0155 0.01694 ++ {0.0} {} {90.h2} 7.8605 0.03009 0.03503 ++ {0.0} {} 0 0.1896 0 {} 0 0 0
78 {56.h1'} 5.94234 0.01694 0.03496 ++ {0.0} {} {56.h8} 8.30042 0.03764 0.06609 ++ {0.0} {} 0 0.7161 0 {} 0 0 0
79 {56.h1'} 5.93751 0.01005 0.01028 ++ {0.0} {} {57.h6} 7.72856 0.0401 0.04115 ++ {0.0} {} 0 0.1628 0 {} 0 0 0
80 {57.h5} 5.52107 0.01919 0.05241 ++ {0.0} {} {57.h6} 7.73471 0.02462 0.05501 ++ {0.0} {} 0 2.8886 0 {} 0 0 0
81 {57.h5} 5.52216 0.00718 0.01276 ++ {0.0} {} {56.h8} 8.29684 0.03634 0.03109 ++ {0.0} {} 0 0.1385 0 {} 0 0 0
82 {59.h1'} 5.99427 0.01621 0.01528 ++ {0.0} {} {60.h6} 7.69532 0.04641 0.04562 ++ {0.0} {} 0 0.1929 0 {} 0 0 0
83 {59.h1'} 5.99384 0.0097 0.01364 ++ {0.0} {} {59.h8} 8.11563 0.03074 0.04284 ++ {0.0} {} 0 0.3267 0 {} 0 0 0
84 {60.h1'} 5.55571 0.01035 0.01299 ++ {0.0} {} {59.h2} 7.39435 0.03413 0.04253 ++ {0.0} {} 0 0.2459 0 {} 0 0 0
85 {60.h1'} 5.56545 0.01478 0.02156 ++ {0.0} {} {60.h6} 7.70348 0.04202 0.0479 ++ {0.0} {} 0 0.337 0 {} 0 0 0
86 {60.h5} 5.06998 0.02193 0.03948 ++ {0.0} {} {60.h6} 7.68309 0.03349 0.06439 ++ {0.0} {} 0 1.7173 0 {} 0 0 0
87 {60.h5} 5.08345 0.01764 0.01525 ++ {0.0} {} {59.h8} 8.1157 0.02556 0.02215 ++ {0.0} {} 0 0.1748 0 {} 0 0 0
88 {60.h6} 5.5551 0.01603 0.02789 ++ {0.0} {} {61.h8} 7.64681 0.03967 0.07159 ++ {0.0} {} 0 0.5089 0 {} 0 0 0
89 {85.h1'} 5.9357 0.00555 0.00386 ++ {0.0} {} {85.h6} 7.99838 0.04008 0.0272 ++ {0.0} {} 0 0.1403 -1 {} 0 0 0
90 {85.h1'} 6.00745 0.0097 0.01364 ++ {0.0} {} {85.h8} 8.15136 0.03074 0.04284 ++ {0.0} {} 0 0.3267 0 {} 0 0 0
91 {85.h1} 6.00602 0.01998 0.01904 ++ {0.0} {} {86.h6} 7.61162 0.02885 0.02669 ++ {0.0} {} 0 0.1725 0 {} 0 0 0
92 {86.h1'} 5.52017 0.01337 0.01521 ++ {0.0} {} {85.h2} 7.38103 0.03561 0.04166 ++ {0.0} {} 0 0.1826 0 {} 0 0 0
93 {86.h1'} 5.52325 0.01354 0.03699 ++ {0.0} {} {87.h8} 7.64652 0.0256 0.04705 ++ {0.0} {} 0 0.6173 0 {} 0 0 0
94 {86.h1'} 5.52076 0.0057 0.01527 ++ {0.0} {} {86.h6} 7.61326 0.04875 0.05787 ++ {0.0} {} 0 0.2195 0 {} 0 0 0
95 {86.h5} 5.11647 0.01802 0.02826 ++ {0.0} {} {86.h6} 7.61259 0.02459 0.04933 ++ {0.0} {} 0 1.2446 0 {} 0 0 0
96 {86.h5} 5.12018 0.02339 0.00922 ++ {0.0} {} {85.h8} 8.15015 0.0252 0.00655 ++ {0.0} {} 0 0.1139 0 {} 0 0 0
97 {87.h1'} 5.82106 0.01129 0.0144 ++ {0.0} {} {59.h2} 7.39063 0.0289 0.04027 ++ {0.0} {} 0 0.3057 0 {} 0 0 0
98 {87.h1'} 5.82875 0.01219 0.00965 ++ {0.0} {} {88.h8} 7.13909 0.03019 0.02075 ++ {0.0} {} 0 0.1766 0 {} 0 0 0
99 {87.h1'} 5.82524 0.01166 0.0143 ++ {0.0} {} {87.h8} 7.64504 0.02731 0.03678 ++ {0.0} {} 0 0.3548 0 {} 0 0 0
100 {88.h1'} 5.64282 0.01326 0.02252 ++ {0.0} {} {88.h8} 7.14144 0.03192 0.06475 ++ {0.0} {} 0 1.0105 0 {} 0 0 0
101 {89.h1'} 5.89778 0.01232 0.01623 ++ {0.0} {} {90.h8} 8.34218 0.02134 0.02819 ++ {0.0} {} 0 0.2918 0 {} 0 0 0
102 {89.h1'} 5.90239 0.01578 0.02069 ++ {0.0} {} {89.h6} 7.73649 0.03063 0.04111 ++ {0.0} {} 0 0.3174 0 {} 0 0 0
103 {89.h2'} 4.25741 0.01108 0.02127 ++ {0.0} {} {89.h6} 7.73846 0.02379 0.04693 ++ {0.0} {} 0 1.3794 0 {} 0 0 0
104 {89.h2'} 4.2575 0.02007 0.02697 ++ {0.0} {} {89.h1'} 5.89171 0.03322 0.04442 ++ {0.0} {} 0 0.2271 0 {} 0 0 0
105 {89.h2} 4.26233 0.01711 0.04616 ++ {0.0} {} {91.h8} 7.85708 0.02613 0.06126 ++ {0.0} {} 0 2.1833 0 {} 0 0 0
106 {89.h3'} 4.53916 0.01099 0.03304 ++ {0.0} {} {89.h6} 7.73945 0.02989 0.06102 ++ {0.0} {} 0 2.9163 0 {} 0 0 0
107 {89.h3} 4.5445 0.01443 0.01507 ++ {0.0} {} {89.h1'} 5.8995 0.04168 0.04675 ++ {0.0} {} 0 0.1733 0 {} 0 0 0
108 {89.h5} 5.56244 0.01005 0.01028 ++ {0.0} {} {89.h6} 7.73899 0.0401 0.04115 ++ {0.0} {} 0 0.1628 0 {} 0 0 0
109 {89.h5} 6.10821 0.01919 0.04937 ++ {0.0} {} {89.h6} 7.56241 0.02462 0.05418 ++ {0.0} {} 0 2.8886 -1 {} 0 0 0
110 {89.h6} 5.55043 0.01058 0.01102 ++ {0.0} {} {88.h8} 7.14714 0.02277 0.02368 ++ {0.0} {} 0 0.2064 0 {} 0 0 0
111 {90.h1'} 6.13057 0.01232 0.01845 ++ {0.0} {} {91.h8} 7.86049 0.02134 0.03109 ++ {0.0} {} 0 0.2918 0 {} 0 0 0
112 {90.h1} 6.13345 0.01397 0.03198 ++ {0.0} {} {90.h8} 8.33925 0.02583 0.04434 ++ {0.0} {} 0 0.5338 0 {} 0 0 0
113 {90.h2'} 4.35264 0.00941 0.01345 ++ {0.0} {} {90.h8} 8.3404 0.02492 0.05302 ++ {0.0} {} 0 1.432 0 {} 0 0 0
114 {90.h3'} 4.24885 0.01159 0.01465 ++ {0.0} {} {90.h8} 8.34232 0.02929 0.03623 ++ {0.0} {} 0 0.3246 0 {} 0 0 0
115 {91.h1} 5.3418 0.01325 0.02281 ++ {0.0} {} {91.h8} 7.87561 0.03584 0.05474 ++ {0.0} {} 0 0.9045 0 {} 0 0 0
116 {91.h2'} 4.80423 0.01269 0.01979 ++ {0.0} {} {91.h1} 5.31702 0.02306 0.03448 ++ {0.0} {} 0 0.3139 0 {} 0 0 0
117 {92.h1'} 6.11296 0.01367 0.01672 ++ {0.0} {} {93.h8} 7.55341 0.06763 0.09852 ++ {0.0} {} 0 0.1467 -1 {} 0 0 0
118 {92.h1'} 5.99914 0.01208 0.01758 ++ {0.0} {} {93.h8} 7.86632 0.04055 0.05212 ++ {0.0} {} 0 0.3115 0 {} 0 0 0
119 {92.h1} 5.99293 0.01208 0.01758 ++ {0.0} {} {92.h8} 7.87848 0.04055 0.05212 ++ {0.0} {} 0 0.3115 0 {} 0 0 0
120 {93.h1'} 6.00669 0.01227 0.01598 ++ {0.0} {} {92.h2} 7.20322 0.02416 0.03226 ++ {0.0} {} 0 0.2231 0 {} 0 0 0
121 {93.h1'} 6.00348 0.00987 0.00777 ++ {0.0} {} {94.h8} 7.0787 0.02158 0.01525 ++ {0.0} {} 0 0.1147 0 {} 0 0 0
122 {93.h1'} 6.07347 0.01367 0.01672 ++ {0.0} {} {93.h8} 7.58147 0.06763 0.09852 ++ {0.0} {} 0 0.1467 -1 {} 0 0 0
123 {93.h1} 6.01154 0.01422 0.01925 ++ {0.0} {} {93.h8} 7.86663 0.03276 0.04207 ++ {0.0} {} 0 0.2767 0 {} 0 0 0
124 {65.h1'} 6.05467 0.13315 0.08938 ++ {0.0} {} {66.h8} 7.65533 0.00694 0.0048 ++ {0.0} {} 0 3.2614 0 {} 0 0 0
125 {66.h1'} 5.77586 0.1292 0.19522 ++ {0.0} {} {66.h8} 7.65607 0.02198 0.0311 ++ {0.0} {} 0 13.0586 0 {} 0 0 0
126 {67.h5} 5.84639 0.14865 0.26977 ++ {0.0} {} {67.h6} 7.86916 0.02437 0.05781 ++ {0.0} {} 0 61.0753 0 {} 0 0 0
127 {67.h1'} 5.88921 0.14865 0.26977 ++ {0.0} {} {67.h6} 7.8704 0.02437 0.05781 ++ {0.0} {} 0 61.0753 0 {} 0 0 0
128 {72.h1'} 5.52451 0.10061 0.08996 ++ {0.0} {} {73.h6} 7.95427 0.01605 0.01422 ++ {0.0} {} 0 3.8134 0 {} 0 0 0
129 {68.h1'} 5.86964 0.15201 0.12545 ++ {0.0} {} {68.h8} 6.93479 0.03067 0.02156 ++ {0.0} {} 0 5.3134 0 {} 0 0 0
130 {67.h1'} 5.93428 0.15201 0.12545 ++ {0.0} {} {68.h8} 6.93987 0.03067 0.02156 ++ {0.0} {} 0 5.3134 0 {} 0 0 0
131 {68.h1'} 5.8512 0.18219 0.19541 ++ {0.0} {} {69.h8} 7.43648 0.01394 0.01582 ++ {0.0} {} 0 7.4857 0 {} 0 0 0
132 {69.h1'} 5.87472 0.18219 0.19541 ++ {0.0} {} {69.h8} 7.43785 0.01394 0.01582 ++ {0.0} {} 0 7.4857 0 {} 0 0 0
133 {70.h1'} 5.85437 0.15129 0.23261 ++ {0.0} {} {70.h6} 7.91667 0.03127 0.04743 ++ {0.0} {} 0 36.0065 0 {} 0 0 0
134 {69.h1'} 5.87184 0.15129 0.23261 ++ {0.0} {} {70.h6} 7.92111 0.03127 0.04743 ++ {0.0} {} 0 36.0065 0 {} 0 0 0
135 {70.h5} 5.89157 0.15129 0.23261 ++ {0.0} {} {70.h6} 7.91593 0.03127 0.04743 ++ {0.0} {} 0 36.0065 0 {} 0 0 0
136 {70.h1'} 5.8543 0.09109 0.09374 ++ {0.0} {} {71.h6} 7.70297 0.02017 0.02055 ++ {0.0} {} 0 8.5852 0 {} 0 0 0
137 {71.h5} 5.48244 0.14423 0.23218 ++ {0.0} {} {71.h6} 7.70438 0.02958 0.07467 ++ {0.0} {} 0 40.3682 0 {} 0 0 0
138 {71.h1'} 5.61591 0.14423 0.23218 ++ {0.0} {} {71.h6} 7.70857 0.02958 0.07467 ++ {0.0} {} 0 40.3682 0 {} 0 0 0
139 {72.h5} 5.54552 0.16265 0.23996 ++ {0.0} {} {72.h6} 7.78144 0.02965 0.04235 ++ {0.0} {} 0 21.1553 0 {} 0 0 0
140 {71.h1'} 5.61318 0.16265 0.23996 ++ {0.0} {} {72.h6} 7.79213 0.02965 0.04235 ++ {0.0} {} 0 21.1553 0 {} 0 0 0
141 {73.h1'} 6.0923 0.12544 0.16222 ++ {0.0} {} {73.h6} 7.94602 0.01575 0.02252 ++ {0.0} {} 0 12.9069 0 {} 0 0 0
142 {73.h5} 6.06005 0.13699 0.23815 ++ {0.0} {} {73.h6} 7.95582 0.02268 0.03996 ++ {0.0} {} 0 93.976 0 {} 0 0 0
143 {73.h1'} 6.08855 0.14978 0.21985 ++ {0.0} {} {74.h8} 7.81916 0.0164 0.02584 ++ {0.0} {} 0 17.5804 0 {} 0 0 0
144 {74.h1'} 6.10175 0.14978 0.21985 ++ {0.0} {} {74.h8} 7.81716 0.0164 0.02584 ++ {0.0} {} 0 17.5804 0 {} 0 0 0
145 {76.h1'} 5.8148 0.12968 0.11606 ++ {0.0} {} {76.h8} 6.89736 0.02459 0.02171 ++ {0.0} {} 0 7.3387 0 {} 0 0 0
146 {77.h5} 5.37953 0.16953 0.09683 ++ {0.0} {} {77.h6} 7.66613 0.02653 0.01073 ++ {0.0} {} 0 5.1529 0 {} 0 0 0
147 {76.h1'} 5.84731 0.12775 0.10194 ++ {0.0} {} {77.h6} 7.64631 0.01488 0.01307 ++ {0.0} {} 0 6.2262 0 {} 0 0 0
148 {77.h1'} 5.4055 0.19238 0.26117 ++ {0.0} {} {77.h6} 7.67486 0.00903 0.02895 ++ {0.0} {} 0 17.3313 0 {} 0 0 0
149 {77.h1} 5.41976 0.12876 0.13765 ++ {0.0} {} {78.h6} 7.83966 0.02262 0.02529 ++ {0.0} {} 0 9.4016 0 {} 0 0 0
150 {78.h5} 5.87506 0.14865 0.26567 ++ {0.0} {} {78.h6} 7.842 0.02437 0.05447 ++ {0.0} {} 0 61.0753 0 {} 0 0 0
151 {79.h1'} 5.87288 0.126 0.12678 ++ {0.0} {} {79.h8} 7.27875 0.01598 0.01615 ++ {0.0} {} 0 10.5055 0 {} 0 0 0
152 {78.h1'} 5.84187 0.126 0.1458 ++ {0.0} {} {79.h8} 7.28965 0.01598 0.01911 ++ {0.0} {} 0 10.5055 0 {} 0 0 0
153 {80.h5} 5.28922 0.10654 0.15941 ++ {0.0} {} {80.h6} 7.54986 0.02333 0.03975 ++ {0.0} {} 0 49.7994 0 {} 0 0 0
154 {80.h1'} 5.57359 0.0921 0.09244 ++ {0.0} {} {80.h6} 7.56544 0.02188 0.02197 ++ {0.0} {} 0 8.3833 0 {} 0 0 0
155 {79.h1'} 5.87825 0.09207 0.08524 ++ {0.0} {} {80.h6} 7.56325 0.02122 0.01987 ++ {0.0} {} 0 7.7598 0 {} 0 0 0
156 {76.h1'} 5.85419 0.01694 0.0242 ++ {0.0} {} {76.h8} 7.22246 0.11701 0.0585 ++ {0.0} {} 0 0.3035 0 {} 0 0 0
157 {75.h8} 5.55378 0.03071 0.01973 ++ {0.0} {} {76.h8} 7.22459 0.07882 0.06807 ++ {0.0} {} 0 0.4884 0 {} 0 0 0
158 {77.h5} 5.3867 0.00871 0.00966 ++ {0.0} {} {76.h8} 7.20678 0.08269 0.05125 ++ {0.0} {} 0 0.3943 0 {} 0 0 0
159 {78.h1'} 5.84152 0.01997 0.01775 ++ {0.0} {} {78.h6} 7.83801 0.05067 0.04164 ++ {0.0} {} 0 0.3286 0 {} 0 0 0
160 {72.h1'} 5.53108 0.03021 0.06885 ++ {0.0} {} {72.h6} 7.78224 0.05541 0.08355 ++ {0.0} {} 0 0.9468 0 {} 0 0 0
161 {60.h5} 5.09867 0.04407 0.05817 ++ {0.0} {} {60.h6} 7.70385 0.04469 0.06309 ++ {0.0} {} 0 1.1522 0 {} 0 0 0
162 {86.h5} 5.11635 0.03482 0.04324 ++ {0.0} {} {86.h6} 7.61508 0.0577 0.06994 ++ {0.0} {} 0 0.9557 0 {} 0 0 0
163 {86.h1'} 5.57252 0.041 0.02921 ++ {0.0} {} {86.h6} 7.61584 0.10235 0.07545 ++ {0.0} {} 0 0.6179 0 {} 0 0 0
164 {59.h1'} 5.8241 0.03574 0.05361 ++ {0.0} {} {59.h8} 8.2708 0.04844 0.11391 ++ {0.0} {} 0 0.6453 0 {} 0 0 0
165 {59.h1'} 5.81849 0.01208 0.01747 ++ {0.0} {} {60.h6} 7.69136 0.0669 0.03657 ++ {0.0} {} 0 0.406 0 {} 0 0 0
166 {85.h1'} 5.82311 0.03063 0.02572 ++ {0.0} {} {85.h8} 8.20309 0.04844 0.09706 ++ {0.0} {} 0 0.6453 0 {} 0 0 0
167 {86.h5} 5.10527 0.01931 0.01446 ++ {0.0} {} {85.h8} 8.20172 0.09202 0.0617 ++ {0.0} {} 0 0.4202 0 {} 0 0 0
168 {84.h1'} 5.74262 0.01578 0.02522 ++ {0.0} {} {85.h8} 8.19989 0.07767 0.06427 ++ {0.0} {} 0 0.4728 0 {} 0 0 0
169 {84.h1'} 5.74852 0.01694 0.0242 ++ {0.0} {} {84.h6} 8.0779 0.09527 0.07851 ++ {0.0} {} 0 0.476 0 {} 0 0 0
170 {84.h5} 5.81289 0.03021 0.05192 ++ {0.0} {} {84.h6} 8.07077 0.05541 0.07674 ++ {0.0} {} 0 0.9468 0 {} 0 0 0
171 {83.h1'} 5.72336 0.01084 0.01468 ++ {0.0} {} {84.h6} 8.06001 0.07433 0.04429 ++ {0.0} {} 0 0.505 0 {} 0 0 0
172 {83.h5} 5.99376 0.02447 0.03496 ++ {0.0} {} {83.h6} 8.06129 0.09637 0.11337 ++ {0.0} {} 0 0.97 0 {} 0 0 0
173 {83.h1'} 5.72344 0.02947 0.0421 ++ {0.0} {} {83.h6} 8.07651 0.09173 0.07215 ++ {0.0} {} 0 0.5681 0 {} 0 0 0
174 {82.h1'} 5.6814 0.01084 0.02023 ++ {0.0} {} {83.h6} 8.05875 0.07433 0.06395 ++ {0.0} {} 0 0.505 0 {} 0 0 0
175 {82.h1'} 5.63607 0.02447 0.03496 ++ {0.0} {} {82.h6} 7.88885 0.09637 0.12356 ++ {0.0} {} 0 0.97 0 {} 0 0 0
176 {82.h1'} 5.68128 0.0307 0.05428 ++ {0.0} {} {82.h6} 7.89476 0.05951 0.07477 ++ {0.0} {} 0 0.9033 0 {} 0 0 0
177 {81.h1'} 6.01341 0.03691 0.05168 ++ {0.0} {} {82.h6} 7.9168 0.13176 0.17755 ++ {0.0} {} 0 0.8912 0 {} 0 0 0
178 {81.h1'} 6.01341 0.03691 0.05168 ++ {0.0} {} {81.h8} 7.89009 0.13176 0.17755 ++ {0.0} {} 0 0.8912 0 {} 0 0 0
179 {60.h1'} 5.64686 0.02071 0.02958 ++ {0.0} {} {60.h6} 7.69558 0.09976 0.07968 ++ {0.0} {} 0 0.524 0 {} 0 0 0
180 {60.h1'} 5.64523 0.02447 0.03496 ++ {0.0} {} {61.h8} 7.80522 0.09637 0.11337 ++ {0.0} {} 0 0.97 0 {} 0 0 0
181 {61.h1'} 5.73728 0.02973 0.03515 ++ {0.0} {} {61.h8} 7.80185 0.14794 0.16072 ++ {0.0} {} 0 0.8969 0 {} 0 0 0
182 {61.h1'} 5.73728 0.02973 0.03515 ++ {0.0} {} {62.h6} 7.86361 0.14794 0.16072 ++ {0.0} {} 0 0.8969 0 {} 0 0 0
183 {62.h5} 5.70025 0.03762 0.11195 ++ {0.0} {} {62.h6} 7.86188 0.07942 0.21825 ++ {0.0} {} 0 1.1074 0 {} 0 0 0
184 {63.h1'} 6.16324 0.02675 0.05205 ++ {0.0} {} {63.h6} 8.22266 0.05681 0.10405 ++ {0.0} {} 0 2.4375 0 {} 0 0 0
185 {63.h1'} 5.71613 0.0307 0.04231 ++ {0.0} {} {63.h6} 8.2217 0.05951 0.06786 ++ {0.0} {} 0 0.9033 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 . . 8012.820801 Hz . . . 4.706 . . 30816 2
2 . . H 1 H . . 8012.820801 Hz . . . 4.706 . . 30816 2
stop_
save_