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                         30650
   _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          .
   _Spectral_peak_list.Chem_shift_reference_label       .
   _Spectral_peak_list.Experiment_ID                    3
   _Spectral_peak_list.Experiment_name                  '2D 1H-13C HSQC'
   _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
noesy501.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 {3.HE3} 7.66704 0.01802 0.03108 ++ {0.0} {} {3.HB1} 3.58225 0.05476 0.13028 ++ {0.0} {} 0.0 2.9213 0 {} 0
1 {3.HE3} 7.67097 0.01129 0.03445 ++ {0.0} {} {3.HB2} 3.45356 0.05548 0.12567 ++ {0.0} {} 0.0 3.3056 0 {} 0
2 {3.HZ} 7.11940 0.01141 0.00833 ++ {0.0} {} {3.HB2} 3.30332 0.04142 0.02877 ++ {0.0} {} 0.0 2.7694 -1 {} 0
3 {3.HZ} 7.11492 0.01581 0.01197 ++ {0.0} {} {3.HB3} 2.91174 0.08052 0.06166 ++ {0.0} {} 0.0 3.1994 -1 {} 0
4 {2.HN} 7.78830 0.01437 0.02054 ++ {0.0} {} {2.HA} 5.19239 0.02719 0.08583 ++ {0.0} {} 0.0 6.8256 0 {} 0
5 {2.HN} 7.78739 0.00275 0.01723 ++ {0.0} {} {2.HB1} 3.29243 0.01517 0.11638 ++ {0.0} {} 0.0 2.9213 0 {} 0
6 {2.HN} 7.78287 0.00620 0.00893 ++ {0.0} {} {2.HB2} 2.89445 0.03700 0.06400 ++ {0.0} {} 0.0 3.3685 0 {} 0
7 {4.HN} 8.08793 0.00753 0.02144 ++ {0.0} {} {3.HB1} 3.58254 0.02099 0.06893 ++ {0.0} {} 0.0 4.1046 0 {} 0
8 {4.HN} 8.08371 0.01027 0.01467 ++ {0.0} {} {3.HB2} 3.44148 0.06208 0.08560 ++ {0.0} {} 0.0 4.8123 0 {} 0
9 {4.HN} 8.08924 0.03681 0.02541 ++ {0.0} {} {5.HN} 7.80231 0.03377 0.05382 ++ {0.0} {} 0.0 14.1771 0 {} 0
10 {5.HN} 7.78906 0.01822 0.03601 ++ {0.0} {} {4.HN} 8.13577 0.05336 0.06062 ++ {0.0} {} 0.0 24.3763 0 {} 0
11 {2.HN} 7.78592 0.01681 0.03670 ++ {0.0} {} {3.HN} 8.52176 0.05557 0.08939 ++ {0.0} {} 0.0 13.6402 0 {} 0
12 {4.HN} 8.06954 0.01848 0.02640 ++ {0.0} {} {3.HN} 8.52436 0.07808 0.08927 ++ {0.0} {} 0.0 9.0456 0 {} 0
13 {3.HN} 8.51184 0.05239 0.03018 ++ {0.0} {} {4.HN} 8.07440 0.08020 0.11477 ++ {0.0} {} 0.0 9.7060 0 {} 0
14 {4.HN} 8.09841 0.00334 0.01004 ++ {0.0} {} {2.HB2} 2.91498 0.04532 0.03608 ++ {0.0} {} 0.0 2.3526 0 {} 0
15 {12.HN} 8.34873 0.01848 0.02966 ++ {0.0} {} {13.HN} 8.07092 0.06410 0.09140 ++ {0.0} {} 0.0 6.5566 0 {} 0
16 {11.HN} 8.43504 0.01027 0.03590 ++ {0.0} {} {12.HN} 8.37547 0.06162 0.09171 ++ {0.0} {} 0.0 6.0965 0 {} 0
17 {12.HN} 8.34889 0.03569 0.05274 ++ {0.0} {} {11.HN} 8.49769 0.04317 0.10202 ++ {0.0} {} 0.0 23.4098 0 {} 0
18 {3.HN} 8.51156 0.01027 0.01967 ++ {0.0} {} {2.HA} 5.19414 0.03140 0.07163 ++ {0.0} {} 0.0 3.0106 0 {} 0
19 {12.HN} 8.33928 0.01437 0.02054 ++ {0.0} {} {12.HA} 4.41894 0.05004 0.08283 ++ {0.0} {} 0.0 9.3083 0 {} 0
20 {12.HN} 8.35092 0.02634 0.04281 ++ {0.0} {} {11.HB} 2.21072 0.03268 0.13364 ++ {0.0} {} 0.0 5.6229 0 {} 0
21 {13.HN} 8.05936 0.03039 0.04342 ++ {0.0} {} {12.HN} 8.36612 0.03213 0.04590 ++ {0.0} {} 0.0 7.3752 0 {} 0
22 {12.HN} 8.34489 0.00673 0.00928 ++ {0.0} {} {9.HA} 4.19796 0.02074 0.06571 ++ {0.0} {} 0.0 3.1382 0 {} 0
23 {12.HN} 8.34604 0.00395 0.00785 ++ {0.0} {} {11.HA} 3.97535 0.03655 0.07078 ++ {0.0} {} 0.0 3.3921 0 {} 0
24 {7.HN} 9.20361 0.01027 0.02114 ++ {0.0} {} {6.HA} 4.40729 0.04649 0.06795 ++ {0.0} {} 0.0 4.4482 0 {} 0
25 {10.HN} 8.51031 0.03788 0.06579 ++ {0.0} {} {10.HA} 3.89566 0.05457 0.08036 ++ {0.0} {} 0.0 10.2252 0 {} 0
26 {7.HN} 9.20408 0.03671 0.04480 ++ {0.0} {} {9.HN} 8.68009 0.06117 0.07958 ++ {0.0} {} 0.0 7.7254 0 {} 0
27 {9.HN} 8.66816 0.04320 0.02915 ++ {0.0} {} {7.HN} 9.22928 0.09085 0.09909 ++ {0.0} {} 0.0 7.8898 0 {} 0
28 {9.HN} 8.66180 0.01027 0.03439 ++ {0.0} {} {10.HN} 8.51772 0.01657 0.05170 ++ {0.0} {} 0.0 3.6325 0 {} 0
29 {10.HN} 8.50605 0.04871 0.05436 ++ {0.0} {} {9.HN} 8.67055 0.05732 0.10627 ++ {0.0} {} 0.0 62.4853 0 {} 0
30 {14.HN} 8.02181 0.03375 0.03792 ++ {0.0} {} {12.HA} 4.40271 0.03964 0.04505 ++ {0.0} {} 0.0 10.2268 0 {} 0
31 {14.HN} 8.02728 0.01848 0.02640 ++ {0.0} {} {13.HB1} 4.29774 0.08214 0.05849 ++ {0.0} {} 0.0 6.7286 0 {} 0
32 {14.HN} 8.02794 0.01848 0.02640 ++ {0.0} {} {13.HB2} 4.21416 0.08214 0.11734 ++ {0.0} {} 0.0 6.7286 0 {} 0
33 {14.HN} 8.02011 0.03375 0.03792 ++ {0.0} {} {14.HA} 4.52070 0.03964 0.04505 ++ {0.0} {} 0.0 10.2268 0 {} 0
34 {3.HN} 8.50939 0.03319 0.07948 ++ {0.0} {} {3.HA} 4.40586 0.04082 0.07092 ++ {0.0} {} 0.0 18.2121 0 {} 0
35 {13.HN} 8.06085 0.02546 0.04282 ++ {0.0} {} {13.HA} 4.62094 0.03633 0.05071 ++ {0.0} {} 0.0 13.4236 0 {} 0
36 {14.HN} 8.02305 0.02546 0.04282 ++ {0.0} {} {13.HA} 4.61692 0.03633 0.05071 ++ {0.0} {} 0.0 13.4236 0 {} 0
37 {6.HN} 8.07626 0.01437 0.02315 ++ {0.0} {} {6.HA} 4.41004 0.05268 0.06421 ++ {0.0} {} 0.0 15.1264 0 {} 0
38 {8.HN} 8.05287 0.01437 0.02555 ++ {0.0} {} {8.HA} 4.41087 0.05339 0.05867 ++ {0.0} {} 0.0 15.4479 0 {} 0
39 {4.HN} 8.07429 0.02454 0.03505 ++ {0.0} {} {4.HA} 4.34614 0.04928 0.07041 ++ {0.0} {} 0.0 13.4733 0 {} 0
40 {13.HN} 8.05653 0.03902 0.05574 ++ {0.0} {} {13.HB2} 4.21822 0.04928 0.07041 ++ {0.0} {} 0.0 11.9340 0 {} 0
41 {13.HN} 8.05927 0.03902 0.05574 ++ {0.0} {} {13.HB1} 4.29263 0.04928 0.07041 ++ {0.0} {} 0.0 11.9340 0 {} 0
42 {13.HN} 8.05522 0.01437 0.01767 ++ {0.0} {} {11.HA} 3.97002 0.02615 0.07493 ++ {0.0} {} 0.0 5.5056 0 {} 0
43 {11.HN} 8.46459 0.02814 0.03399 ++ {0.0} {} {11.HA} 3.96780 0.06405 0.06903 ++ {0.0} {} 0.0 8.1225 0 {} 0
44 {8.HN} 8.04370 0.01027 0.01467 ++ {0.0} {} {10.HN} 8.52724 0.06003 0.08576 ++ {0.0} {} 0.0 8.1265 0 {} 0
45 {9.HN} 8.66484 0.03788 0.05162 ++ {0.0} {} {9.HA} 4.19462 0.05457 0.08674 ++ {0.0} {} 0.0 10.2252 0 {} 0
46 {9.HN} 8.66902 0.02995 0.05023 ++ {0.0} {} {7.HA1} 3.98484 0.07762 0.11535 ++ {0.0} {} 0.0 10.0036 0 {} 0
47 {9.HN} 8.66200 0.01027 0.02569 ++ {0.0} {} {8.HA} 4.40601 0.04649 0.07245 ++ {0.0} {} 0.0 4.4482 0 {} 0
48 {3.HE3} 7.66351 0.01848 0.02640 ++ {0.0} {} {3.HA} 4.39282 0.04414 0.09771 ++ {0.0} {} 0.0 19.1362 0 {} 0
49 {5.HN} 7.78841 0.01851 0.04604 ++ {0.0} {} {3.HA} 4.39475 0.04197 0.08864 ++ {0.0} {} 0.0 14.0018 0 {} 0
50 {5.HN} 7.77720 0.02796 0.03239 ++ {0.0} {} {5.HA} 4.14792 0.04832 0.08812 ++ {0.0} {} 0.0 11.3779 0 {} 0
51 {5.HN} 7.78978 0.01251 0.03286 ++ {0.0} {} {3.HB1} 3.58433 0.07937 0.11834 ++ {0.0} {} 0.0 18.9883 0 {} 0
52 {5.HN} 7.79093 0.01843 0.03534 ++ {0.0} {} {3.HB2} 3.45017 0.07205 0.13004 ++ {0.0} {} 0.0 20.9042 0 {} 0
53 {3.HN} 8.50177 0.01493 0.02171 ++ {0.0} {} {3.HB1} 3.58254 0.03028 0.08341 ++ {0.0} {} 0.0 4.1046 0 {} 0
54 {3.HN} 8.51075 0.01027 0.02567 ++ {0.0} {} {3.HB2} 3.45032 0.06530 0.09017 ++ {0.0} {} 0.0 4.6586 0 {} 0
55 {9.HN} 8.66694 0.03671 0.03159 ++ {0.0} {} {8.HN} 8.06367 0.06117 0.10219 ++ {0.0} {} 0.0 7.7254 0 {} 0
56 {8.HN} 8.04449 0.04320 0.04987 ++ {0.0} {} {9.HN} 8.67832 0.09085 0.14364 ++ {0.0} {} 0.0 7.8898 0 {} 0
57 {3.HN} 8.50758 0.03894 0.06355 ++ {0.0} {} {2.HN} 7.79336 0.04389 0.07193 ++ {0.0} {} 0.0 10.9384 0 {} 0
58 {14.HN} 8.02421 0.01027 0.03200 ++ {0.0} {} {HN1} 7.55852 0.03888 0.04741 ++ {0.0} {} 0.0 5.6135 -1 {} 0
59 {14.HN} 7.54875 0.02749 0.03227 ++ {0.0} {} {HN1} 8.02942 0.04514 0.06224 ++ {0.0} {} 0.0 7.5451 -1 {} 0
60 {14.HN} 8.01780 0.01928 0.02755 ++ {0.0} {} {HN2} 7.16411 0.03528 0.06389 ++ {0.0} {} 0.0 4.3700 -1 {} 0
61 {14.HN} 7.15774 0.02170 0.03016 ++ {0.0} {} {HN2} 8.03341 0.04893 0.10537 ++ {0.0} {} 0.0 6.8006 -1 {} 0
62 {3.HB1} 3.59342 0.01848 0.06554 ++ {0.0} {} {3.HA} 4.39471 0.04261 0.06758 ++ {0.0} {} 0.0 8.6440 0 {} 0
63 {3.HB2} 3.44209 0.01848 0.06435 ++ {0.0} {} {3.HA} 4.39331 0.04059 0.06732 ++ {0.0} {} 0.0 8.1041 0 {} 0
64 {13.HB1} 4.28048 0.01641 0.04329 ++ {0.0} {} {13.HA} 4.61561 0.03728 0.07902 ++ {0.0} {} 0.0 7.3837 0 {} 0
65 {13.HB2} 4.19577 0.00833 0.02899 ++ {0.0} {} {13.HA} 4.61324 0.04913 0.07399 ++ {0.0} {} 0.0 21.1642 0 {} 0
66 {2.HB2} 2.91048 0.01463 0.03307 ++ {0.0} {} {2.HA} 5.20145 0.02592 0.06942 ++ {0.0} {} 0.0 8.1129 0 {} 0
67 {2.HB1} 3.27576 0.01463 0.03450 ++ {0.0} {} {2.HA} 5.19480 0.02592 0.06309 ++ {0.0} {} 0.0 8.1129 0 {} 0
68 {3.HB1} 3.56823 0.02259 0.06521 ++ {0.0} {} {3.HB2} 3.44779 0.07781 0.11223 ++ {0.0} {} 0.0 13.7162 0 {} 0
69 {3.HB2} 3.43991 0.05446 0.06226 ++ {0.0} {} {3.HB1} 3.58413 0.05061 0.11296 ++ {0.0} {} 0.0 14.9866 0 {} 0
70 {7.HN} 9.20343 0.04063 0.04230 ++ {0.0} {} {6.HN} 8.08538 0.04773 0.08394 ++ {0.0} {} 0.0 7.6249 0 {} 0
71 {6.HN} 8.07516 0.02951 0.03886 ++ {0.0} {} {7.HN} 9.21904 0.06086 0.08094 ++ {0.0} {} 0.0 9.7329 0 {} 0
72 {2.HB1} 3.28296 0.03902 0.05574 ++ {0.0} {} {2.HB2} 2.91117 0.06054 0.08755 ++ {0.0} {} 0.0 11.9943 0 {} 0
73 {2.HB2} 2.92210 0.03080 0.05475 ++ {0.0} {} {2.HB1} 3.29749 0.04835 0.13239 ++ {0.0} {} 0.0 14.3820 0 {} 0
74 {13.HN} 8.05454 0.00777 0.02914 ++ {0.0} {} {10.HA} 3.89261 0.01620 0.07611 ++ {0.0} {} 0.0 4.5166 0 {} 0
75 {6.HN} 8.07609 0.01927 0.02753 ++ {0.0} {} {5.HA} 4.15594 0.03195 0.04564 ++ {0.0} {} 0.0 6.2977 0 {} 0
76 {1.HT1} 8.48741 0.00616 0.02343 ++ {0.0} {} {1.HA} 3.96767 0.02907 0.06147 ++ {0.0} {} 0.0 5.8215 0 {} 0
77 {3.HN} 8.51322 0.01027 0.02534 ++ {0.0} {} {1.HA} 3.97431 0.03568 0.05340 ++ {0.0} {} 0.0 8.3234 0 {} 0
78 {11.HN} 8.46603 0.01437 0.02054 ++ {0.0} {} {10.HA} 3.89858 0.03049 0.04356 ++ {0.0} {} 0.0 4.5148 0 {} 0
79 {7.HN} 9.20261 0.01027 0.03579 ++ {0.0} {} {4.HA} 4.33902 0.03248 0.03694 ++ {0.0} {} 0.0 4.3816 0 {} 0
80 {7.HN} 9.20673 0.00943 0.02112 ++ {0.0} {} {5.HA} 4.14945 0.03193 0.05537 ++ {0.0} {} 0.0 3.2204 0 {} 0
81 {10.HN} 8.50110 0.00362 0.02481 ++ {0.0} {} {9.HA} 4.18122 0.03572 0.08852 ++ {0.0} {} 0.0 3.3495 0 {} 0
82 {11.HN} 8.46467 0.01027 0.04249 ++ {0.0} {} {8.HA} 4.41517 0.06139 0.07592 ++ {0.0} {} 0.0 6.3415 0 {} 0
83 {11.HN} 8.47040 0.01027 0.03790 ++ {0.0} {} {9.HA} 4.20145 0.06139 0.05387 ++ {0.0} {} 0.0 6.3415 0 {} 0
84 {3.HE1} 10.15145 0.02442 0.04805 ++ {0.0} {} {2.HN} 7.80399 0.02823 0.06661 ++ {0.0} {} 0.0 38.3792 0 {} 0
85 {3.HE1} 10.15083 0.02341 0.03612 ++ {0.0} {} {3.HE3} 7.62803 0.03337 0.08141 ++ {0.0} {} 0.0 20.2609 0 {} 0
86 {3.HE1} 10.15474 0.00977 0.00809 ++ {0.0} {} {3.HB1} 3.58192 0.03290 0.05102 ++ {0.0} {} 0.0 2.9696 0 {} 0
87 {3.HE1} 10.15033 0.00913 0.00611 ++ {0.0} {} {3.HB2} 3.47130 0.04521 0.03430 ++ {0.0} {} 0.0 2.9146 0 {} 0
88 {3.HE1} 10.15078 0.01157 0.00384 ++ {0.0} {} {3.HA} 4.39792 0.04576 0.02984 ++ {0.0} {} 0.0 2.1604 0 {} 0
89 {5.HN} 7.78404 0.03681 0.04690 ++ {0.0} {} {6.HN} 8.09715 0.03377 0.06301 ++ {0.0} {} 0.0 14.1771 0 {} 0
90 {6.HN} 8.07643 0.03681 0.02583 ++ {0.0} {} {5.HN} 7.79608 0.03377 0.04776 ++ {0.0} {} 0.0 14.1771 0 {} 0
91 {10.HN} 8.53039 0.05239 0.01988 ++ {0.0} {} {8.HN} 8.07209 0.08020 0.08709 ++ {0.0} {} 0.0 9.7060 0 {} 0
92 {AMD1} 7.54960 0.02787 0.09350 ++ {0.0} {} {AMD2} 7.16954 0.03477 0.12259 ++ {0.0} {} 0.0 43.7583 -1 {} 0
93 {AMDT2} 7.15651 0.02228 0.07949 ++ {0.0} {} {AMDT1} 7.56209 0.04136 0.10470 ++ {0.0} {} 0.0 59.2684 -1 {} 0
94 {4.HB2} 1.95948 0.06911 0.13189 ++ {0.0} {} {4.HA} 4.36085 0.04097 0.08234 ++ {0.0} {} 0.0 24.9226 0 {} 0
95 {4.HB1} 2.04424 0.06366 0.09236 ++ {0.0} {} {4.HA} 4.35739 0.04285 0.10907 ++ {0.0} {} 0.0 17.9428 0 {} 0
96 {10.HN} 8.50787 0.03649 0.03477 ++ {0.0} {} {10.HB} 2.06803 0.06115 0.12564 ++ {0.0} {} 0.0 20.2345 0 {} 0
97 {11.HN} 8.46495 0.02050 0.05700 ++ {0.0} {} {11.HB} 2.20425 0.07070 0.09197 ++ {0.0} {} 0.0 13.9268 0 {} 0
98 {12.HN} 8.34295 0.03631 0.06244 ++ {0.0} {} {12.HB1} 1.78077 0.04508 0.07525 ++ {0.0} {} 0.0 17.6587 0 {} 0
99 {6.HN} 8.04578 0.04119 0.08050 ++ {0.0} {} {6.HB1} 1.95065 0.08937 0.12766 ++ {0.0} {} 0.0 20.8367 0 {} 0
100 {4.HN} 8.07586 0.04119 0.08050 ++ {0.0} {} {4.HB1} 1.96073 0.08937 0.12766 ++ {0.0} {} 0.0 20.8367 0 {} 0
101 {6.HN} 8.07439 0.03320 0.08514 ++ {0.0} {} {6.HB1} 2.04858 0.09036 0.12908 ++ {0.0} {} 0.0 19.6835 0 {} 0
102 {4.HN} 8.04601 0.01529 0.05557 ++ {0.0} {} {4.HB1} 2.04046 0.03394 0.09594 ++ {0.0} {} 0.0 12.4370 0 {} 0
103 {14.HN} 8.02194 0.01529 0.05557 ++ {0.0} {} {14.HB1} 2.07070 0.03394 0.09594 ++ {0.0} {} 0.0 12.4370 0 {} 0
104 {5.HN} 7.77691 0.03069 0.05261 ++ {0.0} {} {5.HB1} 2.05198 0.10359 0.18421 ++ {0.0} {} 0.0 24.9403 0 {} 0
105 {5.HN} 7.78118 0.01019 0.01592 ++ {0.0} {} {5.HG1} 1.56029 0.01642 0.06832 ++ {0.0} {} 0.0 4.1451 0 {} 0
106 {7.HN} 9.20630 0.04020 0.06682 ++ {0.0} {} {7.HA1} 3.98766 0.06408 0.14023 ++ {0.0} {} 0.0 20.9619 0 {} 0
107 {7.HN} 9.20630 0.04020 0.07320 ++ {0.0} {} {7.HA2} 3.96332 0.06408 0.14023 ++ {0.0} {} 0.0 20.9619 0 {} 0
108 {14.HB1} 2.15731 0.01752 0.06141 ++ {0.0} {} {14.HA} 4.51646 0.04787 0.07373 ++ {0.0} {} 0.0 6.1858 0 {} 0
109 {14.HB2} 2.06807 0.02937 0.05850 ++ {0.0} {} {14.HA} 4.51691 0.04550 0.10829 ++ {0.0} {} 0.0 9.4720 0 {} 0
110 {8.HB1} 2.32299 0.01129 0.11544 ++ {0.0} {} {8.HA} 4.39674 0.08320 0.13112 ++ {0.0} {} 0.0 15.0145 0 {} 0
111 {6.HB1} 2.05452 0.07003 0.10004 ++ {0.0} {} {6.HA} 4.40609 0.04713 0.09857 ++ {0.0} {} 0.0 17.9428 0 {} 0
112 {6.HB2} 1.95434 0.07503 0.14585 ++ {0.0} {} {6.HA} 4.40096 0.04507 0.10051 ++ {0.0} {} 0.0 24.9226 0 {} 0
113 {9.HB2} 2.17806 0.02033 0.08498 ++ {0.0} {} {9.HA} 4.19760 0.06993 0.15981 ++ {0.0} {} 0.0 17.9314 0 {} 0
114 {9.HD1} 1.94626 0.08005 0.10649 ++ {0.0} {} {9.HA} 4.16973 0.06274 0.12090 ++ {0.0} {} 0.0 15.9204 0 {} 0
115 {5.HB1} 2.06021 0.08196 0.12154 ++ {0.0} {} {5.HA} 4.15055 0.05651 0.10947 ++ {0.0} {} 0.0 16.5003 0 {} 0
116 {5.HB2} 2.04215 0.08196 0.11940 ++ {0.0} {} {5.HA} 4.15055 0.05651 0.10082 ++ {0.0} {} 0.0 16.5003 0 {} 0
117 {11.HB} 2.17786 0.03388 0.08735 ++ {0.0} {} {11.HA} 3.96771 0.03979 0.11570 ++ {0.0} {} 0.0 9.6135 0 {} 0
118 {11.HG12} 1.23255 0.03806 0.03337 ++ {0.0} {} {11.HA} 3.96631 0.06004 0.09241 ++ {0.0} {} 0.0 26.3539 0 {} 0
119 {11.HG12} 1.21938 0.03806 0.03875 ++ {0.0} {} {11.HA} 3.96631 0.06004 0.08763 ++ {0.0} {} 0.0 26.3539 0 {} 0
120 {10.HD11} 1.15596 0.03388 0.04840 ++ {0.0} {} {10.HA} 3.89238 0.03362 0.10280 ++ {0.0} {} 0.0 28.0901 0 {} 0
121 {14.HN} 8.02137 0.03446 0.07671 ++ {0.0} {} {14.HG} 1.79435 0.06182 0.14749 ++ {0.0} {} 0.0 18.1524 0 {} 0
122 {14.HN} 8.07485 0.02937 0.04195 ++ {0.0} {} {14.HD21} 1.11097 0.06599 0.09188 ++ {0.0} {} 0.0 10.6268 -1 {} 0
123 {14.HN} 8.07258 0.02937 0.04195 ++ {0.0} {} {14.HD11} 1.12821 0.06599 0.09188 ++ {0.0} {} 0.0 10.6268 -1 {} 0
124 {11.HN} 8.46324 0.01129 0.01959 ++ {0.0} {} {11.HG21} 1.21840 0.05421 0.11776 ++ {0.0} {} 0.0 8.2372 0 {} 0
125 {11.HN} 8.46445 0.01129 0.01613 ++ {0.0} {} {11.HD11} 1.19462 0.05409 0.03143 ++ {0.0} {} 0.0 4.0325 0 {} 0
126 {10.HN} 8.51219 0.01129 0.05260 ++ {0.0} {} {10.HG21} 1.14925 0.05409 0.12785 ++ {0.0} {} 0.0 4.0325 0 {} 0
127 {10.HN} 8.51351 0.01129 0.04123 ++ {0.0} {} {10.HD11} 1.15038 0.05409 0.15057 ++ {0.0} {} 0.0 4.0325 0 {} 0
128 {9.HN} 8.66324 0.03825 0.06091 ++ {0.0} {} {9.HB2} 2.18231 0.07666 0.12671 ++ {0.0} {} 0.0 19.0122 0 {} 0
129 {9.HN} 8.66414 0.04185 0.05297 ++ {0.0} {} {9.HD2} 1.94903 0.06601 0.10783 ++ {0.0} {} 0.0 13.9498 0 {} 0
130 {9.HN} 8.66430 0.01040 0.02109 ++ {0.0} {} {9.HG2} 1.73503 0.04375 0.07194 ++ {0.0} {} 0.0 4.6390 0 {} 0
131 {8.HN} 8.04722 0.04776 0.10461 ++ {0.0} {} {8.HB2} 2.33324 0.07966 0.16422 ++ {0.0} {} 0.0 16.6866 0 {} 0
132 {4.HN} 8.10383 0.01129 0.01613 ++ {0.0} {} {4.HD21} 1.12510 0.05409 0.03143 ++ {0.0} {} 0.0 4.0325 -1 {} 0
133 {1.HT1} 8.48500 0.03649 0.06051 ++ {0.0} {} {1.HB} 2.06803 0.06115 0.16709 ++ {0.0} {} 0.0 20.2345 0 {} 0
134 {1.HT1} 8.48866 0.01129 0.01613 ++ {0.0} {} {1.HD11} 1.19897 0.05409 0.03143 ++ {0.0} {} 0.0 4.0325 0 {} 0
135 {1.HT1} 8.48954 0.01129 0.01613 ++ {0.0} {} {1.HG21} 1.22413 0.05409 0.03143 ++ {0.0} {} 0.0 4.0325 0 {} 0
136 {} 10.15256 0.00840 0.01228 ++ {0.0} {} {} 7.25010 0.04324 0.04994 ++ {0.0} {} 0.0 4.3773 -1 {} 0
137 {2.HN} 7.78916 0.01556 0.04513 ++ {0.0} {} {3.HE1} 10.16894 0.03492 0.09243 ++ {0.0} {} 0.0 66.1550 0 {} 0
138 {3.HE3} 7.62763 0.01556 0.02259 ++ {0.0} {} {3.HE1} 10.16953 0.03480 0.08422 ++ {0.0} {} 0.0 20.7618 0 {} 0
139 {} 7.86992 0.03646 0.07312 ++ {0.0} {} {} 7.13217 0.04982 0.09692 ++ {0.0} {} 0.0 13.1108 -1 {} 0
140 {} 7.66261 0.02033 0.02904 ++ {0.0} {} {} 7.11526 0.04573 0.09730 ++ {0.0} {} 0.0 31.2999 -1 {} 0
141 {} 7.66087 0.02033 0.02904 ++ {0.0} {} {} 7.24726 0.06321 0.13006 ++ {0.0} {} 0.0 11.0645 -1 {} 0
142 {} 7.10587 0.04185 0.05951 ++ {0.0} {} {} 7.24809 0.06092 0.10532 ++ {0.0} {} 0.0 33.9379 -1 {} 0
143 {} 7.23940 0.03918 0.08595 ++ {0.0} {} {} 7.11572 0.04323 0.09976 ++ {0.0} {} 0.0 33.4141 -1 {} 0
144 {} 7.12053 0.02605 0.05390 ++ {0.0} {} {} 7.88236 0.06036 0.10189 ++ {0.0} {} 0.0 15.2180 -1 {} 0
145 {} 7.10722 0.04861 0.08787 ++ {0.0} {} {} 7.68192 0.04629 0.09542 ++ {0.0} {} 0.0 27.7092 -1 {} 0
146 {} 7.23857 0.04472 0.07289 ++ {0.0} {} {} 7.63127 0.03959 0.11244 ++ {0.0} {} 0.0 34.7365 -1 {} 0
147 {} 4.38139 0.01581 0.02259 ++ {0.0} {} {} 7.68495 0.03915 0.04555 ++ {0.0} {} 0.0 3.4598 0 {} 0
148 {5.HA} 4.14636 0.03088 0.04627 ++ {0.0} {} {5.HN} 7.79167 0.05347 0.07396 ++ {0.0} {} 0.0 7.4159 0 {} 0
149 {7.HA2} 3.97694 0.01027 0.03188 ++ {0.0} {} {8.HN} 8.06614 0.07354 0.09602 ++ {0.0} {} 0.0 5.5040 0 {} 0
150 {10.HA} 3.87536 0.01129 0.01613 ++ {0.0} {} {13.HN} 8.06630 0.03430 0.07324 ++ {0.0} {} 0.0 4.8360 0 {} 0
151 {3.HA} 4.39965 0.02033 0.02904 ++ {0.0} {} {3.HN} 8.51850 0.06789 0.07582 ++ {0.0} {} 0.0 5.8648 0 {} 0
152 {} 3.56870 0.01581 0.02548 ++ {0.0} {} {} 7.68283 0.02923 0.06043 ++ {0.0} {} 0.0 6.1072 -1 {} 0
153 {} 3.57000 0.01581 0.02259 ++ {0.0} {} {} 7.79804 0.04587 0.06772 ++ {0.0} {} 0.0 5.7273 -1 {} 0
154 {} 3.44524 0.01581 0.02259 ++ {0.0} {} {} 7.80442 0.04043 0.05956 ++ {0.0} {} 0.0 5.9150 -1 {} 0
155 {} 3.44695 0.01027 0.01467 ++ {0.0} {} {} 7.68645 0.03411 0.06070 ++ {0.0} {} 0.0 4.4772 -1 {} 0
156 {} 3.45833 0.01033 0.02459 ++ {0.0} {} {} 8.11298 0.06130 0.06998 ++ {0.0} {} 0.0 3.3699 -1 {} 0
157 {} 3.44457 0.01581 0.02259 ++ {0.0} {} {} 8.51685 0.06696 0.07517 ++ {0.0} {} 0.0 3.3774 -1 {} 0
158 {7.HA2} 3.97014 0.01129 0.01613 ++ {0.0} {} {9.HN} 8.68263 0.04905 0.06431 ++ {0.0} {} 0.0 4.2620 0 {} 0
159 {} 3.59081 0.01129 0.01613 ++ {0.0} {} {} 8.11075 0.08151 0.06557 ++ {0.0} {} 0.0 3.6116 -1 {} 0
160 {11.HA} 3.95216 0.05044 0.05573 ++ {0.0} {} {11.HN} 8.48848 0.09654 0.13132 ++ {0.0} {} 0.0 8.0334 0 {} 0
161 {10.HA} 3.89184 0.02937 0.04195 ++ {0.0} {} {10.HN} 8.52410 0.08128 0.12861 ++ {0.0} {} 0.0 8.7592 0 {} 0
162 {7.HA1} 3.98391 0.01129 0.02882 ++ {0.0} {} {9.HN} 8.68054 0.06291 0.07117 ++ {0.0} {} 0.0 6.9526 0 {} 0
163 {7.HA2} 3.97943 0.05029 0.09321 ++ {0.0} {} {7.HN} 9.21986 0.06251 0.08913 ++ {0.0} {} 0.0 14.6240 0 {} 0
164 {9.HA} 4.18493 0.01581 0.02259 ++ {0.0} {} {9.HN} 8.66882 0.04295 0.08094 ++ {0.0} {} 0.0 5.4668 0 {} 0
165 {5.HA} 4.13730 0.01581 0.02259 ++ {0.0} {} {9.HN} 8.69022 0.06810 0.08649 ++ {0.0} {} 0.0 4.3363 0 {} 0
166 {6.HA} 4.39873 0.02263 0.03415 ++ {0.0} {} {6.HN} 8.08123 0.09503 0.11002 ++ {0.0} {} 0.0 5.2615 0 {} 0
167 {} 4.33758 0.01129 0.03194 ++ {0.0} {} {} 8.08877 0.06681 0.08813 ++ {0.0} {} 0.0 4.4317 -1 {} 0
168 {} 4.28849 0.02033 0.03945 ++ {0.0} {} {} 8.06803 0.07426 0.09749 ++ {0.0} {} 0.0 5.1148 -1 {} 0
169 {} 4.21048 0.00850 0.02088 ++ {0.0} {} {} 8.09508 0.03884 0.05670 ++ {0.0} {} 0.0 13.9985 -1 {} 0
170 {5.HA} 4.14571 0.01581 0.03268 ++ {0.0} {} {4.HN} 8.09176 0.06255 0.07793 ++ {0.0} {} 0.0 4.6725 0 {} 0
171 {10.HB} 2.33783 0.05849 0.09319 ++ {0.0} {} {13.HN} 8.05601 0.05761 0.08621 ++ {0.0} {} 0.0 12.3498 0 {} 0
172 {8.HB2} 2.34641 0.01437 0.08345 ++ {0.0} {} {10.HN} 8.52114 0.07847 0.12961 ++ {0.0} {} 0.0 12.1444 0 {} 0
173 {11.HB} 2.19473 0.02033 0.11473 ++ {0.0} {} {10.HN} 8.51092 0.09069 0.15294 ++ {0.0} {} 0.0 10.9495 0 {} 0
174 {11.HB} 2.16884 0.01581 0.07778 ++ {0.0} {} {9.HN} 8.67683 0.05990 0.09424 ++ {0.0} {} 0.0 12.3408 0 {} 0
175 {} 2.03521 0.01581 0.04141 ++ {0.0} {} {} 9.21979 0.05059 0.09276 ++ {0.0} {} 0.0 6.3748 -1 {} 0
176 {} 1.95845 0.05999 0.08067 ++ {0.0} {} {} 9.21941 0.06899 0.09737 ++ {0.0} {} 0.0 11.3382 -1 {} 0
177 {8.HD2} 1.94603 0.05385 0.08965 ++ {0.0} {} {9.HN} 8.67898 0.06387 0.11200 ++ {0.0} {} 0.0 13.6869 0 {} 0
178 {4.HB2} 1.95969 0.07534 0.07219 ++ {0.0} {} {3.HN} 8.51779 0.08148 0.13638 ++ {0.0} {} 0.0 13.9072 0 {} 0
179 {1.HB} 2.05658 0.09210 0.13788 ++ {0.0} {} {1.HT1} 8.51945 0.06403 0.10078 ++ {0.0} {} 0.0 15.3179 0 {} 0
180 {11.HB} 2.17073 0.01129 0.09372 ++ {0.0} {} {13.HN} 8.04920 0.07913 0.12836 ++ {0.0} {} 0.0 11.6878 0 {} 0
181 {5.HB2} 2.04362 0.07454 0.08966 ++ {0.0} {} {6.HN} 8.09073 0.06501 0.16093 ++ {0.0} {} 0.0 15.3793 0 {} 0
182 {9.HD2} 1.95056 0.07411 0.09439 ++ {0.0} {} {8.HN} 8.08827 0.07020 0.15601 ++ {0.0} {} 0.0 18.9975 0 {} 0
183 {1.HB} 2.04303 0.05647 0.10070 ++ {0.0} {} {2.HN} 7.79111 0.05542 0.09023 ++ {0.0} {} 0.0 16.1026 0 {} 0
184 {4.HB2} 1.95087 0.01129 0.05828 ++ {0.0} {} {5.HN} 7.79092 0.05816 0.08331 ++ {0.0} {} 0.0 10.8686 0 {} 0
185 {12.HB1} 1.76858 0.01581 0.04036 ++ {0.0} {} {13.HN} 8.06814 0.08317 0.13595 ++ {0.0} {} 0.0 19.9225 0 {} 0
186 {} 1.78293 0.01467 0.02095 ++ {0.0} {} {} 8.06899 0.07203 0.10010 ++ {0.0} {} 0.0 18.1070 -1 {} 0
187 {12.HB1} 1.77503 0.01581 0.02259 ++ {0.0} {} {11.HN} 8.46805 0.05103 0.08971 ++ {0.0} {} 0.0 21.9871 0 {} 0
188 {} 1.78576 0.01537 0.02196 ++ {0.0} {} {} 8.36347 0.04385 0.06745 ++ {0.0} {} 0.0 18.6060 -1 {} 0
189 {12.HB1} 1.77214 0.01581 0.04113 ++ {0.0} {} {12.HN} 8.36174 0.05103 0.10033 ++ {0.0} {} 0.0 21.9871 0 {} 0
190 {} 1.15526 0.01581 0.04046 ++ {0.0} {} {} 8.52477 0.10196 0.11276 ++ {0.0} {} 0.0 24.6460 -1 {} 0
191 {} 1.14025 0.01581 0.02259 ++ {0.0} {} {} 8.52676 0.08927 0.12038 ++ {0.0} {} 0.0 33.8061 -1 {} 0
192 {} 1.13237 0.04912 0.04833 ++ {0.0} {} {} 8.05962 0.08818 0.08736 ++ {0.0} {} 0.0 21.2538 -1 {} 0
193 {6.HD11} 1.21936 0.01129 0.02440 ++ {0.0} {} {6.HA} 4.41016 0.03477 0.08231 ++ {0.0} {} 0.0 23.8887 0 {} 0
194 {6.HD21} 1.21349 0.02152 0.03202 ++ {0.0} {} {6.HA} 4.40958 0.05413 0.08347 ++ {0.0} {} 0.0 36.3669 0 {} 0
195 {14.HD21} 1.13591 0.01581 0.04740 ++ {0.0} {} {14.HA} 4.51566 0.04634 0.10011 ++ {0.0} {} 0.0 43.7912 0 {} 0
196 {4.HD21} 1.10467 0.01129 0.02245 ++ {0.0} {} {4.HA} 4.34250 0.05084 0.11635 ++ {0.0} {} 0.0 23.0084 0 {} 0
197 {4.HD11} 1.12306 0.02485 0.03550 ++ {0.0} {} {4.HA} 4.34225 0.07041 0.10267 ++ {0.0} {} 0.0 29.5559 0 {} 0
198 {14.HD11} 1.12107 0.01581 0.03400 ++ {0.0} {} {14.HA} 4.51561 0.04741 0.12271 ++ {0.0} {} 0.0 43.6886 0 {} 0
199 {12.HB1} 1.77610 0.01129 0.07700 ++ {0.0} {} {12.HA} 4.40567 0.05135 0.10575 ++ {0.0} {} 0.0 71.2666 0 {} 0
200 {4.HB2} 1.94624 0.06302 0.14246 ++ {0.0} {} {5.HE1} 3.21509 0.07543 0.12887 ++ {0.0} {} 0.0 30.2613 0 {} 0
201 {5.HD1} 1.76334 0.02033 0.08633 ++ {0.0} {} {5.HE1} 3.21416 0.06697 0.09334 ++ {0.0} {} 0.0 11.4280 0 {} 0
202 {8.HD2} 1.94825 0.03658 0.08915 ++ {0.0} {} {7.HA2} 3.96980 0.06652 0.11156 ++ {0.0} {} 0.0 12.1817 0 {} 0
203 {} 2.33788 0.01129 0.08159 ++ {0.0} {} {} 3.92433 0.03000 0.12474 ++ {0.0} {} 0.0 5.7019 -1 {} 0
204 {} 2.34916 0.01129 0.01613 ++ {0.0} {} {} 3.98597 0.02425 0.03922 ++ {0.0} {} 0.0 5.6094 -1 {} 0
205 {} 3.20573 0.03652 0.02655 ++ {0.0} {} {} 4.39532 0.07613 0.09320 ++ {0.0} {} 0.0 5.6408 -1 {} 0
206 {} 7.11913 0.02867 0.02927 ++ {0.0} {} {} 4.96655 0.02847 0.02923 ++ {0.0} {} 0.0 7.2600 -1 {} 0
207 {} 7.16145 0.00685 0.01463 ++ {0.0} {} {} 4.52770 0.05374 0.05228 ++ {0.0} {} 0.0 3.5028 -1 {} 0
208 {} 7.10593 0.01581 0.02259 ++ {0.0} {} {} 4.38934 0.05798 0.05699 ++ {0.0} {} 0.0 3.5390 -1 {} 0
209 {} 7.54714 0.00678 0.00968 ++ {0.0} {} {} 4.51054 0.04808 0.05122 ++ {0.0} {} 0.0 3.8710 -1 {} 0
210 {} 8.09181 0.04066 0.04998 ++ {0.0} {} {} 5.19044 0.04408 0.08489 ++ {0.0} {} 0.0 13.0380 -1 {} 0
211 {} 7.87250 0.01129 0.01613 ++ {0.0} {} {} 2.90912 0.05548 0.05114 ++ {0.0} {} 0.0 3.3056 -1 {} 0
212 {} 7.86892 0.01802 0.01317 ++ {0.0} {} {} 3.29267 0.05476 0.04017 ++ {0.0} {} 0.0 2.9213 -1 {} 0
213 {} 7.86822 0.01581 0.02259 ++ {0.0} {} {} 4.96635 0.02991 0.04397 ++ {0.0} {} 0.0 6.8256 -1 {} 0
214 {7.HN} 9.20420 0.03862 0.02970 ++ {0.0} {} {8.HD1} 2.04592 0.08946 0.12781 ++ {0.0} {} 0.0 7.2691 0 {} 0
215 {7.HN} 9.20491 0.03076 0.04123 ++ {0.0} {} {6.HB2} 1.96246 0.09036 0.12908 ++ {0.0} {} 0.0 9.3575 0 {} 0
216 {7.HN} 9.20065 0.01581 0.02259 ++ {0.0} {} {4.HD21} 1.12943 0.06850 0.08746 ++ {0.0} {} 0.0 5.7052 0 {} 0
217 {9.HN} 8.65899 0.01332 0.02781 ++ {0.0} {} {10.HD11} 1.12954 0.04553 0.06508 ++ {0.0} {} 0.0 3.3130 0 {} 0
218 {9.HN} 8.64872 0.01129 0.01613 ++ {0.0} {} {9.HG1} 1.72653 0.09503 0.11199 ++ {0.0} {} 0.0 4.5699 -1 {} 0
219 {10.HN} 8.51264 0.04868 0.08578 ++ {0.0} {} {10.HB} 2.34658 0.07610 0.10830 ++ {0.0} {} 0.0 16.3273 0 {} 0
220 {11.HN} 8.46500 0.01816 0.03178 ++ {0.0} {} {10.HB} 2.35037 0.07935 0.05923 ++ {0.0} {} 0.0 6.9608 0 {} 0
221 {14.HN} 8.02370 0.02937 0.03230 ++ {0.0} {} {14.HD11} 1.13531 0.04046 0.05575 ++ {0.0} {} 0.0 13.4030 0 {} 0
222 {3.HN} 8.50790 0.03747 0.04540 ++ {0.0} {} {6.HD11} 1.29255 0.04933 0.10231 ++ {0.0} {} 0.0 9.7378 0 {} 0
223 {9.HN} 8.66227 0.01818 0.02777 ++ {0.0} {} {8.HB2} 2.33060 0.08879 0.09580 ++ {0.0} {} 0.0 4.9173 0 {} 0
224 {9.HN} 8.66125 0.04185 0.02456 ++ {0.0} {} {8.HD1} 2.06243 0.06601 0.10783 ++ {0.0} {} 0.0 13.9498 0 {} 0
225 {} 7.78556 0.01220 0.01347 ++ {0.0} {} {} 1.36453 0.05421 0.07745 ++ {0.0} {} 0.0 6.5881 -1 {} 0
226 {} 7.78574 0.01149 0.01139 ++ {0.0} {} {} 1.29508 0.01738 0.03772 ++ {0.0} {} 0.0 5.5780 -1 {} 0
227 {} 7.77992 0.01899 0.02008 ++ {0.0} {} {} 1.75769 0.06987 0.07319 ++ {0.0} {} 0.0 6.0542 -1 {} 0
228 {3.HE3} 7.67988 0.01581 0.02259 ++ {0.0} {} {4.HD11} 1.12533 0.04918 0.07635 ++ {0.0} {} 0.0 12.3729 0 {} 0
229 {} 7.66341 0.01534 0.02191 ++ {0.0} {} {} 1.12588 0.05885 0.08389 ++ {0.0} {} 0.0 11.8910 -1 {} 0
230 {} 7.62710 0.00996 0.01089 ++ {0.0} {} {} 1.36978 0.04357 0.05191 ++ {0.0} {} 0.0 4.6556 -1 {} 0
231 {} 7.60768 0.01366 0.01481 ++ {0.0} {} {} 1.36586 0.04816 0.06630 ++ {0.0} {} 0.0 5.4367 -1 {} 0
232 {} 7.62794 0.01544 0.02030 ++ {0.0} {} {} 0.75674 0.04135 0.09582 ++ {0.0} {} 0.0 11.3217 -1 {} 0
233 {} 7.60991 0.01418 0.01855 ++ {0.0} {} {} 0.75887 0.03870 0.08261 ++ {0.0} {} 0.0 10.8939 -1 {} 0
234 {} 7.23754 0.01129 0.02509 ++ {0.0} {} {} 0.76473 0.03384 0.06597 ++ {0.0} {} 0.0 5.3185 -1 {} 0
235 {} 7.10668 0.01581 0.02259 ++ {0.0} {} {} 1.12738 0.05004 0.06586 ++ {0.0} {} 0.0 8.2014 -1 {} 0
236 {} 7.12048 0.02325 0.01168 ++ {0.0} {} {} 2.04623 0.08535 0.06449 ++ {0.0} {} 0.0 4.5834 -1 {} 0
237 {} 3.66727 0.03051 0.02720 ++ {0.0} {} {} 1.37904 0.05591 0.04594 ++ {0.0} {} 0.0 5.8579 -1 {} 0
238 {10.HA} 3.89113 0.01027 0.03433 ++ {0.0} {} {9.HB1} 2.18563 0.07708 0.09961 ++ {0.0} {} 0.0 9.1343 0 {} 0
239 {10.HA} 3.87619 0.01129 0.03188 ++ {0.0} {} {9.HB2} 2.16982 0.04078 0.08453 ++ {0.0} {} 0.0 9.7931 0 {} 0
240 {10.HA} 3.87244 0.01581 0.02259 ++ {0.0} {} {10.HB} 2.34608 0.06750 0.09930 ++ {0.0} {} 0.0 7.8642 0 {} 0
241 {10.HA} 3.89491 0.01424 0.03083 ++ {0.0} {} {8.HB2} 2.34921 0.07591 0.11249 ++ {0.0} {} 0.0 7.6458 0 {} 0
242 {11.HA} 3.98346 0.01129 0.02696 ++ {0.0} {} {10.HB} 2.34699 0.06946 0.07801 ++ {0.0} {} 0.0 6.3242 0 {} 0
243 {11.HA} 3.95423 0.01129 0.02181 ++ {0.0} {} {10.HB} 2.35208 0.09522 0.09744 ++ {0.0} {} 0.0 5.2429 0 {} 0
244 {11.HA} 3.95182 0.02033 0.02904 ++ {0.0} {} {11.HB} 2.19981 0.07643 0.09195 ++ {0.0} {} 0.0 9.5906 0 {} 0
245 {11.HA} 3.97028 0.02485 0.04926 ++ {0.0} {} {11.HB} 2.19803 0.07873 0.09668 ++ {0.0} {} 0.0 10.2150 0 {} 0
246 {7.HA2} 3.97127 0.03880 0.05498 ++ {0.0} {} {6.HB2} 1.95272 0.06507 0.08206 ++ {0.0} {} 0.0 10.0569 0 {} 0
247 {5.HA} 4.14075 0.04128 0.05762 ++ {0.0} {} {5.HB1} 2.04764 0.09285 0.12908 ++ {0.0} {} 0.0 15.7154 0 {} 0
248 {5.HA} 4.13725 0.01399 0.04598 ++ {0.0} {} {6.HB2} 1.95339 0.03054 0.09444 ++ {0.0} {} 0.0 11.7941 0 {} 0
249 {9.HA} 4.19768 0.01027 0.02889 ++ {0.0} {} {9.HD1} 1.95376 0.06466 0.08880 ++ {0.0} {} 0.0 8.9257 0 {} 0
250 {13.HB2} 4.19720 0.01479 0.04744 ++ {0.0} {} {14.HB1} 2.18641 0.08581 0.14046 ++ {0.0} {} 0.0 14.8586 0 {} 0
251 {9.HA} 4.14556 0.01581 0.03433 ++ {0.0} {} {9.HB1} 2.18019 0.08158 0.12339 ++ {0.0} {} 0.0 10.0271 0 {} 0
252 {5.HA} 4.14200 0.03129 0.03739 ++ {0.0} {} {9.HG1} 1.75859 0.07561 0.08611 ++ {0.0} {} 0.0 7.2234 0 {} 0
253 {4.HA} 4.33113 0.03407 0.04099 ++ {0.0} {} {4.HB2} 1.96265 0.07373 0.09149 ++ {0.0} {} 0.0 8.8732 0 {} 0
254 {4.HA} 4.33836 0.03407 0.03850 ++ {0.0} {} {4.HB1} 2.05479 0.07373 0.08750 ++ {0.0} {} 0.0 8.8732 0 {} 0
255 {6.HA} 4.40168 0.03592 0.03711 ++ {0.0} {} {6.HB1} 2.06455 0.05447 0.12331 ++ {0.0} {} 0.0 7.4796 0 {} 0
256 {6.HA} 4.40047 0.03806 0.04265 ++ {0.0} {} {6.HB2} 1.95475 0.02189 0.06367 ++ {0.0} {} 0.0 9.0177 0 {} 0
257 {8.HA} 4.38531 0.05388 0.05415 ++ {0.0} {} {8.HB2} 2.32795 0.06845 0.06875 ++ {0.0} {} 0.0 7.0926 0 {} 0
258 {12.HA} 4.43311 0.03161 0.04516 ++ {0.0} {} {12.HB1} 1.78217 0.05149 0.07104 ++ {0.0} {} 0.0 11.3868 0 {} 0
259 {3.HA} 4.39163 0.04157 0.05939 ++ {0.0} {} {5.HD1} 1.77792 0.04691 0.08259 ++ {0.0} {} 0.0 10.7224 0 {} 0
260 {} 4.40447 0.01129 0.01613 ++ {0.0} {} {} 1.28710 0.01885 0.03414 ++ {0.0} {} 0.0 6.0033 -1 {} 0
261 {6.HA} 4.40242 0.03107 0.03111 ++ {0.0} {} {6.HD21} 1.21422 0.04766 0.05632 ++ {0.0} {} 0.0 7.0755 0 {} 0
262 {4.HA} 4.33571 0.03497 0.02891 ++ {0.0} {} {4.HD21} 1.11621 0.04839 0.07059 ++ {0.0} {} 0.0 7.6168 0 {} 0
263 {} 4.16133 0.02033 0.02904 ++ {0.0} {} {} 2.05939 0.06261 0.02334 ++ {0.0} {} 0.0 4.3273 -1 {} 0
264 {8.HA} 4.37973 0.02033 0.02904 ++ {0.0} {} {8.HD1} 2.05939 0.06261 0.02334 ++ {0.0} {} 0.0 4.3273 0 {} 0
265 {} 3.95287 0.01129 0.01613 ++ {0.0} {} {} 1.58494 0.04751 0.03527 ++ {0.0} {} 0.0 5.6184 -1 {} 0
266 {} 3.88208 0.01027 0.01467 ++ {0.0} {} {} 1.31365 0.07828 0.09079 ++ {0.0} {} 0.0 9.2018 -1 {} 0
267 {10.HA} 3.86990 0.02485 0.03550 ++ {0.0} {} {10.HG21} 1.15614 0.06052 0.11895 ++ {0.0} {} 0.0 21.4602 0 {} 0
268 {11.HA} 3.96089 0.06680 0.09105 ++ {0.0} {} {10.HG21} 1.14093 0.08090 0.12176 ++ {0.0} {} 0.0 22.2285 0 {} 0
269 {10.HA} 3.89349 0.03388 0.04840 ++ {0.0} {} {10.HD11} 1.15402 0.06466 0.12617 ++ {0.0} {} 0.0 24.5184 0 {} 0
270 {11.HA} 3.95962 0.05230 0.08026 ++ {0.0} {} {11.HG21} 1.22409 0.05421 0.07745 ++ {0.0} {} 0.0 17.9470 0 {} 0
271 {9.HE2} 3.20557 0.05635 0.07587 ++ {0.0} {} {9.HG2} 1.74872 0.09214 0.17706 ++ {0.0} {} 0.0 14.1049 0 {} 0
272 {5.HE1} 3.21377 0.06493 0.12890 ++ {0.0} {} {4.HB2} 1.95720 0.05792 0.16866 ++ {0.0} {} 0.0 38.9324 0 {} 0
273 {10.HB} 2.34252 0.02937 0.10109 ++ {0.0} {} {10.HG21} 1.15027 0.06949 0.12662 ++ {0.0} {} 0.0 20.0921 0 {} 0
274 {9.HB2} 2.16497 0.07510 0.14681 ++ {0.0} {} {10.HD11} 1.12774 0.06233 0.10849 ++ {0.0} {} 0.0 52.0827 0 {} 0
275 {4.HB2} 1.94863 0.06947 0.12412 ++ {0.0} {} {4.HD11} 1.12379 0.06499 0.11412 ++ {0.0} {} 0.0 46.5416 0 {} 0
276 {} 1.94180 0.02485 0.03550 ++ {0.0} {} {} 1.29099 0.03195 0.06690 ++ {0.0} {} 0.0 17.1130 -1 {} 0
277 {6.HB2} 1.95360 0.07584 0.08018 ++ {0.0} {} {6.HD21} 1.21944 0.08214 0.11734 ++ {0.0} {} 0.0 19.3848 0 {} 0
278 {6.HB1} 2.05780 0.10356 0.09327 ++ {0.0} {} {6.HD21} 1.21916 0.04082 0.07899 ++ {0.0} {} 0.0 15.8458 0 {} 0
279 {5.HD1} 1.81820 0.02937 0.04195 ++ {0.0} {} {4.HD11} 1.13994 0.03832 0.10259 ++ {0.0} {} 0.0 21.3859 0 {} 0
280 {9.HD1} 1.94836 0.06424 0.12639 ++ {0.0} {} {9.HG1} 1.73474 0.11556 0.19722 ++ {0.0} {} 0.0 62.2234 0 {} 0
281 {9.HB2} 2.17118 0.05012 0.13817 ++ {0.0} {} {9.HD2} 1.95114 0.06762 0.14187 ++ {0.0} {} 0.0 31.2743 0 {} 0
282 {} 2.06655 0.07869 0.10098 ++ {0.0} {} {} 1.81274 0.09658 0.13776 ++ {0.0} {} 0.0 23.4479 -1 {} 0
283 {4.HB2} 1.94978 0.06573 0.09989 ++ {0.0} {} {5.HG1} 1.57420 0.07358 0.09833 ++ {0.0} {} 0.0 28.1358 0 {} 0
284 {9.HD2} 1.94348 0.05785 0.09672 ++ {0.0} {} {9.HB2} 2.17917 0.04533 0.15691 ++ {0.0} {} 0.0 36.2036 0 {} 0
285 {10.HD11} 1.13584 0.04175 0.08345 ++ {0.0} {} {9.HB2} 2.17174 0.06838 0.12682 ++ {0.0} {} 0.0 87.8619 0 {} 0
286 {4.HD11} 1.12277 0.05066 0.07526 ++ {0.0} {} {4.HB2} 1.95431 0.06632 0.09520 ++ {0.0} {} 0.0 59.3672 0 {} 0
287 {4.HD11} 1.13691 0.01581 0.02259 ++ {0.0} {} {5.HD1} 1.82398 0.08064 0.08684 ++ {0.0} {} 0.0 37.0059 0 {} 0
288 {6.HD21} 1.21732 0.01877 0.01557 ++ {0.0} {} {6.HB1} 2.05586 0.04885 0.09081 ++ {0.0} {} 0.0 28.2136 0 {} 0
289 {6.HD21} 1.21797 0.02908 0.02759 ++ {0.0} {} {6.HB2} 1.96279 0.04814 0.10313 ++ {0.0} {} 0.0 32.5488 0 {} 0
290 {} 1.29151 0.00830 0.01427 ++ {0.0} {} {} 2.06535 0.10119 0.08071 ++ {0.0} {} 0.0 26.2232 -1 {} 0
291 {11.HG21} 1.21885 0.03423 0.03168 ++ {0.0} {} {11.HB} 2.20892 0.07667 0.07240 ++ {0.0} {} 0.0 31.8767 0 {} 0
292 {10.HG21} 1.15478 0.02337 0.05701 ++ {0.0} {} {10.HB} 2.35320 0.07364 0.13400 ++ {0.0} {} 0.0 26.8694 0 {} 0
293 {10.HD11} 1.12008 0.01539 0.04899 ++ {0.0} {} {8.HB1} 2.34770 0.08007 0.14081 ++ {0.0} {} 0.0 29.3098 0 {} 0
294 {10.HN} 8.50775 0.03874 0.07201 ++ {0.0} {} {9.HD2} 1.96065 0.08214 0.13496 ++ {0.0} {} 0.0 15.1695 0 {} 0
295 {8.HN} 8.04209 0.01848 0.02659 ++ {0.0} {} {9.HB1} 2.17518 0.06638 0.13969 ++ {0.0} {} 0.0 14.8764 0 {} 0
296 {14.HN} 8.02173 0.02670 0.03814 ++ {0.0} {} {14.HB1} 2.16969 0.09752 0.11656 ++ {0.0} {} 0.0 14.7145 0 {} 0
297 {4.HN} 8.07258 0.02670 0.03858 ++ {0.0} {} {4.HD11} 1.12821 0.05999 0.10012 ++ {0.0} {} 0.0 10.6268 0 {} 0
298 {4.HN} 8.06316 0.03133 0.05309 ++ {0.0} {} {5.HD1} 1.78073 0.06080 0.14977 ++ {0.0} {} 0.0 18.1524 0 {} 0
299 {1.HG21} 1.13667 0.06246 0.06214 ++ {0.0} {} {1.HA} 3.97231 0.08733 0.08717 ++ {0.0} {} 0.0 33.5803 0 {} 0
300 {11.HB} 2.17034 0.01872 0.07084 ++ {0.0} {} {10.HA} 3.89713 0.02632 0.09078 ++ {0.0} {} 0.0 8.0547 0 {} 0
301 {10.HD11} 1.13335 0.01027 0.04341 ++ {0.0} {} {10.HA} 3.90073 0.02929 0.09441 ++ {0.0} {} 0.0 22.3247 0 {} 0
302 {14.HD21} 1.13374 0.03895 0.04577 ++ {0.0} {} {14.HB2} 2.06635 0.08214 0.11734 ++ {0.0} {} 0.0 46.3926 0 {} 0
303 {8.HA} 4.38244 0.03460 0.03508 ++ {0.0} {} {9.HD2} 1.96307 0.04377 0.04467 ++ {0.0} {} 0.0 9.0177 0 {} 0
304 {14.HB2} 2.05929 0.06827 0.10918 ++ {0.0} {} {14.HD21} 1.13605 0.04260 0.10828 ++ {0.0} {} 0.0 52.0827 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   .   .   5498.534    Hz   .   .   .   2348.64   .   .   30650   1
      2   .   .   C   13   C   .   .   18236.240   Hz   .   .   .   9379.65   .   .   30650   1
   stop_
save_