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 30482
_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 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
noesy504-2.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 {2.HN} 8.33222 0.02705 0.06511 ++ {0.0} {} {2.HA} 4.95765 0.06237 0.11676 ++ {0.0} {} 89.1905288696 27.2433 0 {} 0
1 {3.HN} 8.51690 0.03712 0.09663 ++ {0.0} {} {2.HA} 4.95619 0.06115 0.13662 ++ {0.0} {} 402.611480713 88.5683 0 {} 0
2 {4.HN} 8.12064 0.03535 0.06063 ++ {0.0} {} {2.HA} 4.95627 0.06433 0.10971 ++ {0.0} {} 67.7292633057 15.6985 0 {} 0
3 {3.HN} 8.51670 0.03736 0.08654 ++ {0.0} {} {3.HA} 4.01740 0.06321 0.12588 ++ {0.0} {} 138.557159424 30.1001 0 {} 0
4 {3.HN} 8.51861 0.02125 0.05067 ++ {0.0} {} {4.HA} 8.14661 0.05601 0.11533 ++ {0.0} {} 52.2098083496 28.7350 0 {} 0
5 {4.HA} 8.12053 0.03444 0.08830 ++ {0.0} {} {3.HN} 8.54344 0.04683 0.18214 ++ {0.0} {} 105.948005676 32.5101 0 {} 0
6 {4.HN} 8.12105 0.03417 0.11288 ++ {0.0} {} {4.HA} 3.95262 0.06687 0.14151 ++ {0.0} {} 216.746353149 49.2116 0 {} 0
7 {4.HN} 8.12103 0.03220 0.06055 ++ {0.0} {} {5.HN} 7.71214 0.06038 0.12805 ++ {0.0} {} 145.973846436 48.0521 0 {} 0
8 {5.HN} 7.68650 0.03848 0.13432 ++ {0.0} {} {4.HN} 8.14558 0.05965 0.13410 ++ {0.0} {} 202.232330322 47.1201 0 {} 0
9 {14.HN} 7.81603 0.02735 0.05952 ++ {0.0} {} {13.HN} 7.65139 0.05562 0.10104 ++ {0.0} {} 124.975959778 39.8211 0 {} 0
10 {13.HN} 7.63505 0.03028 0.05575 ++ {0.0} {} {14.HN} 7.84919 0.03697 0.06249 ++ {0.0} {} 126.455474854 26.8476 0 {} 0
11 {14.HN} 7.81571 0.03098 0.06586 ++ {0.0} {} {14.HA} 4.39938 0.04955 0.10531 ++ {0.0} {} 94.8731079102 28.0464 0 {} 0
12 {13.HN} 7.64160 0.06024 0.08605 ++ {0.0} {} {13.HA} 4.16241 0.07221 0.16742 ++ {0.0} {} 331.342346191 49.5510 0 {} 0
13 {11.HN} 7.94707 0.03725 0.10123 ++ {0.0} {} {11.HA} 3.91930 0.06006 0.16186 ++ {0.0} {} 271.117980957 58.4559 0 {} 0
14 {12.HN} 7.94659 0.03028 0.05575 ++ {0.0} {} {11.HN} 7.56378 0.03697 0.06249 ++ {0.0} {} 52.6172294617 26.8476 0 {} 0
15 {12.HN} 7.54187 0.03439 0.06884 ++ {0.0} {} {11.HN} 7.96934 0.04707 0.11998 ++ {0.0} {} 114.112869263 36.0160 0 {} 0
16 {10.HN} 8.34914 0.02478 0.05541 ++ {0.0} {} {11.HN} 7.96970 0.04347 0.09018 ++ {0.0} {} 50.7456283569 23.7631 0 {} 0
17 {11.HN} 7.94631 0.03887 0.12320 ++ {0.0} {} {10.HN} 8.37078 0.05866 0.16075 ++ {0.0} {} 147.020294189 32.8556 0 {} 0
18 {10.HN} 8.34710 0.02804 0.06124 ++ {0.0} {} {9.HN} 7.73886 0.06943 0.14399 ++ {0.0} {} 126.862182617 36.6651 0 {} 0
19 {9.HN} 7.70368 0.05935 0.12874 ++ {0.0} {} {10.HN} 8.37595 0.05075 0.13249 ++ {0.0} {} 353.412261963 61.0448 0 {} 0
20 {5.HN} 7.68333 0.03523 0.05033 ++ {0.0} {} {2.HA} 4.95586 0.05759 0.04824 ++ {0.0} {} 19.7861862183 5.7210 0 {} 0
21 {3.HN} 8.11930 0.03417 0.08528 ++ {0.0} {} {4.HA} 4.03532 0.06687 0.13615 ++ {0.0} {} 52.2716674805 49.2116 0 {} 0
22 {5.HN} 7.69697 0.03300 0.05620 ++ {0.0} {} {4.HA} 3.95002 0.04120 0.06632 ++ {0.0} {} 112.408485413 17.0421 0 {} 0
23 {10.HN} 8.34840 0.03019 0.06264 ++ {0.0} {} {9.HA} 4.11058 0.07620 0.12692 ++ {0.0} {} 98.0387573242 19.7584 0 {} 0
24 {10.HN} 8.34774 0.03048 0.06685 ++ {0.0} {} {10.HA} 3.90033 0.07228 0.10326 ++ {0.0} {} 237.594039917 15.8557 0 {} 0
25 {11.HN} 7.94717 0.02778 0.02863 ++ {0.0} {} {9.HA} 4.13180 0.02528 0.05733 ++ {0.0} {} 12.8499164581 6.8589 0 {} 0
26 {9.HN} 7.71099 0.03300 0.05620 ++ {0.0} {} {9.HA} 4.10244 0.04120 0.06632 ++ {0.0} {} 190.022491455 17.0421 0 {} 0
27 {14.HN} 7.81620 0.03319 0.08611 ++ {0.0} {} {11.HA} 3.91267 0.05110 0.09841 ++ {0.0} {} 59.047996521 16.3300 0 {} 0
28 {13.HN} 7.63389 0.04035 0.07291 ++ {0.0} {} {11.HA} 3.91522 0.05086 0.10691 ++ {0.0} {} 72.1134414673 19.1943 0 {} 0
29 {12.HN} 7.54229 0.03602 0.09273 ++ {0.0} {} {11.HA} 3.91578 0.05475 0.13072 ++ {0.0} {} 89.9118499756 27.0601 0 {} 0
30 {12.HN} 7.54277 0.03690 0.12047 ++ {0.0} {} {12.HA} 4.14613 0.06904 0.13725 ++ {0.0} {} 302.482757568 64.3469 0 {} 0
31 {8.HN} 7.69754 0.03300 0.05620 ++ {0.0} {} {8.HA} 4.03073 0.04120 0.06632 ++ {0.0} {} 145.264282227 17.0421 0 {} 0
32 {11.HN} 7.94684 0.03484 0.05204 ++ {0.0} {} {8.HA} 4.03523 0.05363 0.10326 ++ {0.0} {} 46.2480773926 13.5047 0 {} 0
33 {7.HN} 8.29051 0.03300 0.05620 ++ {0.0} {} {7.HA} 3.94664 0.04120 0.06632 ++ {0.0} {} 154.733840942 17.0421 0 {} 0
34 {8.HN} 7.69754 0.03300 0.05620 ++ {0.0} {} {7.HA} 3.91386 0.04120 0.06632 ++ {0.0} {} 98.038848877 17.0421 0 {} 0
35 {3.HN} 8.52030 0.01419 0.01196 ++ {0.0} {} {5.HN} 7.71224 0.05578 0.04699 ++ {0.0} {} 10.9715414047 5.7441 0 {} 0
36 {5.HN} 7.69430 0.06153 0.06234 ++ {0.0} {} {3.HN} 8.53771 0.05463 0.05544 ++ {0.0} {} 41.9705162048 6.7492 0 {} 0
37 {8.HN} 7.70715 0.04246 0.05464 ++ {0.0} {} {7.HN} 8.29873 0.06614 0.08765 ++ {0.0} {} 340.276763916 8.4508 0 {} 0
38 {7.HN} 8.28780 0.02746 0.08605 ++ {0.0} {} {8.HN} 7.72873 0.05375 0.17534 ++ {0.0} {} 259.025848389 75.5429 0 {} 0
39 {13.HN} 7.63078 0.04135 0.10230 ++ {0.0} {} {12.HN} 7.56149 0.04739 0.25605 ++ {0.0} {} 72.0591583252 244.8910 0 {} 0
40 {2.HN} 8.33829 0.04176 0.10278 ++ {0.0} {} {3.HN} 8.52667 0.06362 0.17107 ++ {0.0} {} 116.228118896 432.4950 0 {} 0
41 {12.H} 7.53730 0.02735 0.03934 ++ {0.0} {} {13.H} 7.67163 0.04841 0.06598 ++ {0.0} {} 200.082214355 39.8211 0 {} 0
42 {2.HD21} 7.64903 0.03135 0.06301 ++ {0.0} {} {2.HD22} 6.85705 0.04788 0.11496 ++ {0.0} {} 175.787643433 57.3141 0 {} 0
43 {2.HD22} 6.83647 0.03215 0.06405 ++ {0.0} {} {2.HD21} 7.67252 0.06692 0.13384 ++ {0.0} {} 285.273345947 67.1035 0 {} 0
44 {2.HD22} 6.84179 0.04647 0.03689 ++ {0.0} {} {1.HA} 4.77161 0.04636 0.03897 ++ {0.0} {} 24.1266441345 7.1692 0 {} 0
45 {2.HD21} 7.65281 0.04368 0.02904 ++ {0.0} {} {1.HA} 4.76917 0.04861 0.03258 ++ {0.0} {} 17.6067562103 6.2513 0 {} 0
46 {2.HD22} 6.83640 0.02933 0.03920 ++ {0.0} {} {2.HB1} 3.10809 0.07814 0.09558 ++ {0.0} {} 49.4609451294 11.3460 0 {} 0
47 {2.HD22} 6.83715 0.03256 0.04304 ++ {0.0} {} {2.HB2} 2.80140 0.06545 0.08832 ++ {0.0} {} 51.4059791565 11.5863 0 {} 0
48 {2.HD21} 7.64963 0.04469 0.06054 ++ {0.0} {} {2.HB1} 3.10952 0.07818 0.10720 ++ {0.0} {} 79.8138885498 15.5986 0 {} 0
49 {2.HD21} 7.64945 0.03873 0.06450 ++ {0.0} {} {2.HB2} 2.80045 0.06325 0.09999 ++ {0.0} {} 73.3272018433 15.4264 0 {} 0
50 {2.HD22} 6.83630 0.03333 0.04914 ++ {0.0} {} {1.HG12} 1.45552 0.05125 0.08890 ++ {0.0} {} 48.0018348694 15.8230 0 {} 0
51 {2.HD22} 6.83553 0.02369 0.00800 ++ {0.0} {} {1.HB} 1.87719 0.11326 0.07730 ++ {0.0} {} 6.71933984756 2.0481 0 {} 0
52 {2.HD22} 6.83707 0.03080 0.03283 ++ {0.0} {} {2.HA} 4.95433 0.07168 0.07558 ++ {0.0} {} 15.7646970749 3.6022 0 {} 0
53 {2.HD21} 7.65657 0.03614 0.05163 ++ {0.0} {} {2.HA} 4.95476 0.05759 0.08299 ++ {0.0} {} 17.4356136322 5.7210 0 {} 0
54 {2.HD22} 6.83485 0.02654 0.01916 ++ {0.0} {} {2.H} 8.35921 0.04497 0.03246 ++ {0.0} {} 4.26145601273 2.6637 0 {} 0
55 {11.HN} 7.94947 0.02837 0.02214 ++ {0.0} {} {11.HE2} 2.93771 0.05065 0.03954 ++ {0.0} {} 8.40443134308 2.7921 0 {} 0
56 {4.HN} 8.12296 0.02617 0.01465 ++ {0.0} {} {4.HE1} 3.01398 0.05571 0.03120 ++ {0.0} {} 5.23367786407 2.3643 0 {} 0
57 {1.HT1} 7.96562 0.07645 0.14731 ++ {0.0} {} {1.HA} 4.77076 0.04730 0.08843 ++ {0.0} {} 65.6278305054 11.9812 0 {} 0
58 {3.HN} 8.51822 0.03034 0.06301 ++ {0.0} {} {3.HD11} 0.98187 0.06909 0.11697 ++ {0.0} {} 62.4018630981 17.7524 0 {} 0
59 {3.HN} 8.51609 0.02847 0.06595 ++ {0.0} {} {3.HD11} 0.86159 0.04850 0.11645 ++ {0.0} {} 61.8183097839 19.1759 0 {} 0
60 {3.HN} 8.51846 0.02242 0.03172 ++ {0.0} {} {2.HB1} 3.11029 0.07207 0.09698 ++ {0.0} {} 15.6977310181 7.2711 0 {} 0
61 {3.HN} 8.51664 0.02602 0.05490 ++ {0.0} {} {2.HB2} 2.80169 0.06615 0.11558 ++ {0.0} {} 38.1041717529 10.9845 0 {} 0
62 {3.HN} 8.51785 0.03624 0.09070 ++ {0.0} {} {3.HB1} 1.87970 0.02808 0.14958 ++ {0.0} {} 86.6033477783 38.0883 0 {} 0
63 {3.HN} 8.51756 0.03662 0.09210 ++ {0.0} {} {3.HB2} 1.79502 0.12047 0.17211 ++ {0.0} {} 329.792297363 46.3276 0 {} 0
64 {3.HN} 8.51745 0.02641 0.07559 ++ {0.0} {} {3.HG} 1.54560 0.07789 0.22673 ++ {0.0} {} 93.786857605 26.7232 0 {} 0
65 {12.HN} 7.54155 0.03690 0.12047 ++ {0.0} {} {9.HA} 4.05986 0.06904 0.13579 ++ {0.0} {} 49.477645874 64.3469 0 {} 0
66 {2.HN} 8.33203 0.02486 0.05383 ++ {0.0} {} {2.HB1} 3.10958 0.07610 0.12711 ++ {0.0} {} 122.887107849 35.4817 0 {} 0
67 {2.HN} 8.33018 0.02634 0.06714 ++ {0.0} {} {2.HB2} 2.80048 0.06858 0.12599 ++ {0.0} {} 113.974739075 32.3319 0 {} 0
68 {10.HN} 8.34832 0.02960 0.09709 ++ {0.0} {} {10.HB1} 1.45206 0.06156 0.23696 ++ {0.0} {} 321.058074951 96.7416 0 {} 0
69 {7.HN} 8.28789 0.02747 0.08605 ++ {0.0} {} {7.HB1} 1.49030 0.07146 0.20193 ++ {0.0} {} 409.528320312 121.1740 0 {} 0
70 {4.HN} 8.12109 0.03249 0.06725 ++ {0.0} {} {4.HB1} 1.88463 0.11552 0.20264 ++ {0.0} {} 467.424316406 73.1405 0 {} 0
71 {4.HN} 8.11899 0.03249 0.06725 ++ {0.0} {} {4.HB2} 1.75281 0.11552 0.20264 ++ {0.0} {} 143.781921387 73.1405 0 {} 0
72 {4.HN} 8.12151 0.02898 0.05389 ++ {0.0} {} {4.HG2} 1.61245 0.05765 0.17211 ++ {0.0} {} 95.0644378662 25.5837 0 {} 0
73 {4.HN} 8.12162 0.02795 0.05599 ++ {0.0} {} {4.HD2} 1.44974 0.11581 0.16545 ++ {0.0} {} 163.537979126 27.3120 0 {} 0
74 {11.HN} 7.94751 0.03432 0.07462 ++ {0.0} {} {11.HB1} 1.90567 0.09712 0.17211 ++ {0.0} {} 209.875244141 46.8033 0 {} 0
75 {11.HN} 7.94751 0.03432 0.07462 ++ {0.0} {} {11.HB2} 1.82962 0.09712 0.17211 ++ {0.0} {} 256.576171875 46.8033 0 {} 0
76 {11.HN} 7.94771 0.03551 0.06650 ++ {0.0} {} {11.HG2} 1.66583 0.08878 0.17211 ++ {0.0} {} 169.70425415 33.5559 0 {} 0
77 {11.HN} 7.94731 0.03598 0.09358 ++ {0.0} {} {10.HB1} 1.45401 0.06176 0.17629 ++ {0.0} {} 295.318756104 67.0787 0 {} 0
78 {12.HN} 7.53932 0.03450 0.09432 ++ {0.0} {} {12.HB1} 2.01426 0.06873 0.15092 ++ {0.0} {} 388.13067627 86.7377 0 {} 0
79 {12.HN} 7.54197 0.03450 0.09432 ++ {0.0} {} {11.HB1} 1.92229 0.06873 0.15092 ++ {0.0} {} 141.791488647 86.7377 0 {} 0
80 {12.HN} 7.54389 0.03496 0.06810 ++ {0.0} {} {11.HB2} 1.82628 0.07228 0.10326 ++ {0.0} {} 122.584777832 21.2655 0 {} 0
81 {12.HN} 7.54312 0.03054 0.05807 ++ {0.0} {} {11.HG2} 1.64838 0.10968 0.19986 ++ {0.0} {} 162.790542603 23.6383 0 {} 0
82 {12.HN} 7.54269 0.04035 0.12047 ++ {0.0} {} {12.HD2} 1.46064 0.05712 0.12539 ++ {0.0} {} 157.76751709 31.3478 0 {} 0
83 {12.HN} 7.54788 0.03153 0.03293 ++ {0.0} {} {13.HG11} 0.92757 0.09996 0.10368 ++ {0.0} {} 52.7029418945 8.6979 0 {} 0
84 {9.HN} 7.69419 0.05117 0.16389 ++ {0.0} {} {8.HB1} 1.47870 0.07318 0.30979 ++ {0.0} {} 1592.75537109 250.8430 0 {} 0
85 {9.HN} 7.71274 0.04775 0.12913 ++ {0.0} {} {9.HB1} 1.82216 0.11723 0.26278 ++ {0.0} {} 1035.81652832 103.2380 0 {} 0
86 {9.HN} 7.71362 0.04775 0.12913 ++ {0.0} {} {9.HG} 1.65961 0.11723 0.26278 ++ {0.0} {} 465.662811279 103.2380 0 {} 0
87 {9.HN} 7.71300 0.05089 0.09462 ++ {0.0} {} {9.HD11} 0.90836 0.10303 0.17915 ++ {0.0} {} 317.369598389 32.2497 0 {} 0
88 {11.HZ1} 7.43884 0.03340 0.03454 ++ {0.0} {} {11.HE2} 2.94776 0.08804 0.09039 ++ {0.0} {} 361.146118164 2.8158 0 {} 0
89 {4.HZ1} 7.41232 0.03340 0.03454 ++ {0.0} {} {4.HE2} 3.01192 0.08804 0.09039 ++ {0.0} {} 230.446807861 2.8158 0 {} 0
90 {12.HZ1} 7.46647 0.03340 0.03454 ++ {0.0} {} {12.HE1} 2.99054 0.08804 0.09039 ++ {0.0} {} 220.310897827 2.8158 0 {} 0
91 {11.HZ1} 7.43045 0.06654 0.13554 ++ {0.0} {} {12.HB2} 1.68784 0.06378 0.13590 ++ {0.0} {} 270.109344482 29.9942 0 {} 0
92 {11.HZ1} 7.43347 0.05125 0.12965 ++ {0.0} {} {12.HD2} 1.47125 0.06480 0.12323 ++ {0.0} {} 126.627182007 18.0657 0 {} 0
93 {4.HN} 8.12148 0.02812 0.02400 ++ {0.0} {} {3.HD11} 0.98155 0.06956 0.05806 ++ {0.0} {} 22.3769569397 7.2503 0 {} 0
94 {4.HN} 8.12134 0.03108 0.02659 ++ {0.0} {} {3.HD11} 0.86117 0.04842 0.04143 ++ {0.0} {} 21.8625602722 7.2623 0 {} 0
95 {5.HN} 7.69365 0.04297 0.08605 ++ {0.0} {} {4.HB1} 1.85396 0.04777 0.17211 ++ {0.0} {} 317.928985596 41.6642 0 {} 0
96 {10.HN} 8.35244 0.02878 0.03559 ++ {0.0} {} {9.HB1} 1.85415 0.07228 0.10326 ++ {0.0} {} 70.8919830322 20.7795 0 {} 0
97 {10.HN} 8.35215 0.03083 0.05437 ++ {0.0} {} {9.HB2} 1.75885 0.10397 0.13584 ++ {0.0} {} 180.814254761 31.8582 0 {} 0
98 {10.HN} 8.33617 0.03838 0.05375 ++ {0.0} {} {9.HD11} 0.93661 0.05802 0.08337 ++ {0.0} {} 142.554626465 25.9848 0 {} 0
99 {7.HN} 8.28802 0.03507 0.07464 ++ {0.0} {} {6.HB1} 1.82075 0.08391 0.18172 ++ {0.0} {} 170.864974976 33.0364 0 {} 0
100 {7.HN} 8.28812 0.02597 0.05041 ++ {0.0} {} {6.HG} 1.65962 0.06174 0.16190 ++ {0.0} {} 71.7710037231 20.9880 0 {} 0
101 {7.HN} 8.28535 0.03838 0.06623 ++ {0.0} {} {6.HD11} 0.89572 0.05802 0.10683 ++ {0.0} {} 78.8170318604 25.9848 0 {} 0
102 {13.HN} 7.63244 0.03111 0.04197 ++ {0.0} {} {12.HB1} 2.01690 0.06083 0.09256 ++ {0.0} {} 85.9477615356 27.6980 0 {} 0
103 {13.HN} 7.63318 0.04297 0.06749 ++ {0.0} {} {13.HB} 1.90689 0.04777 0.17211 ++ {0.0} {} 145.919082642 41.6642 0 {} 0
104 {13.HN} 7.63426 0.04775 0.09242 ++ {0.0} {} {14.HB1} 1.80787 0.11723 0.22155 ++ {0.0} {} 182.231552124 103.2380 0 {} 0
105 {13.HN} 7.63382 0.05117 0.13668 ++ {0.0} {} {13.HG12} 1.55966 0.07318 0.19179 ++ {0.0} {} 138.019348145 250.8430 0 {} 0
106 {13.HN} 7.62376 0.05117 0.13668 ++ {0.0} {} {12.HD2} 1.45965 0.07318 0.19179 ++ {0.0} {} 198.365158081 250.8430 0 {} 0
107 {13.HN} 7.63766 0.05001 0.05513 ++ {0.0} {} {13.HG11} 0.93906 0.06448 0.09528 ++ {0.0} {} 126.465415955 23.4876 0 {} 0
108 {13.HN} 7.63163 0.05001 0.05513 ++ {0.0} {} {13.HD11} 0.85811 0.06448 0.09528 ++ {0.0} {} 93.7732772827 23.4876 0 {} 0
109 {14.HN} 7.81664 0.03085 0.06769 ++ {0.0} {} {14.HB1} 1.79470 0.07229 0.14992 ++ {0.0} {} 341.780334473 67.5528 0 {} 0
110 {14.HN} 7.81812 0.03270 0.05032 ++ {0.0} {} {13.HB} 1.90807 0.04636 0.06339 ++ {0.0} {} 71.4381027222 20.5318 0 {} 0
111 {14.HN} 7.81722 0.03371 0.05619 ++ {0.0} {} {14.HB2} 1.60584 0.09067 0.12744 ++ {0.0} {} 146.882156372 25.8321 0 {} 0
112 {14.HN} 7.81566 0.03653 0.06018 ++ {0.0} {} {14.HD11} 0.89469 0.07010 0.14253 ++ {0.0} {} 155.688873291 27.0599 0 {} 0
113 {7.HN} 8.28862 0.03048 0.03812 ++ {0.0} {} {6.HA} 4.09221 0.07228 0.10326 ++ {0.0} {} 98.1500854492 15.8557 0 {} 0
114 {5.HN} 7.69626 0.04762 0.05553 ++ {0.0} {} {5.HA} 4.15371 0.11881 0.14796 ++ {0.0} {} 718.255004883 78.6803 0 {} 0
115 {14.HN} 7.81659 0.03300 0.05245 ++ {0.0} {} {13.HA} 4.15648 0.04120 0.06230 ++ {0.0} {} 40.9219360352 17.0421 0 {} 0
116 {10.HN} 8.33891 0.05500 0.07858 ++ {0.0} {} {7.HA} 3.95877 0.09072 0.26316 ++ {0.0} {} 568.107055664 83.7217 0 {} 0
117 {1.HT1} 7.96562 0.07723 0.14157 ++ {0.0} {} {1.HA} 4.77076 0.04300 0.08707 ++ {0.0} {} 56.2059440613 11.9812 0 {} 0
118 {4.HA} 3.95601 0.02636 0.05990 ++ {0.0} {} {2.HA} 4.95228 0.06583 0.06907 ++ {0.0} {} 25.2796878815 6.9955 0 {} 0
119 {3.HA} 4.00450 0.02288 0.04980 ++ {0.0} {} {2.HA} 4.95660 0.07025 0.06909 ++ {0.0} {} 23.7640666962 6.5368 0 {} 0
120 {2.HB1} 3.09379 0.07176 0.10582 ++ {0.0} {} {2.HA} 4.95458 0.06153 0.10668 ++ {0.0} {} 179.454925537 20.9096 0 {} 0
121 {2.HB2} 2.79053 0.03614 0.15385 ++ {0.0} {} {2.HA} 4.95975 0.06181 0.12454 ++ {0.0} {} 140.258407593 25.5015 0 {} 0
122 {1.HB} 1.87000 0.04069 0.14601 ++ {0.0} {} {2.HA} 4.95689 0.06126 0.08079 ++ {0.0} {} 41.3675994873 7.7994 0 {} 0
123 {3.HB2} 1.78477 0.02964 0.08767 ++ {0.0} {} {2.HA} 4.95384 0.05990 0.07950 ++ {0.0} {} 34.3967094421 9.5822 0 {} 0
124 {3.HG} 1.54163 0.08640 0.12215 ++ {0.0} {} {2.HA} 4.95392 0.06574 0.07780 ++ {0.0} {} 43.4491996765 5.0783 0 {} 0
125 {1.HG12} 1.45256 0.03714 0.06837 ++ {0.0} {} {2.HA} 4.95314 0.06406 0.10169 ++ {0.0} {} 30.4300251007 6.6206 0 {} 0
126 {14.HB1} 1.78665 0.05269 0.10051 ++ {0.0} {} {14.HA} 4.39740 0.04973 0.11409 ++ {0.0} {} 178.885635376 41.5407 0 {} 0
127 {14.HB2} 1.60482 0.05738 0.09997 ++ {0.0} {} {14.HA} 4.39714 0.05195 0.11277 ++ {0.0} {} 174.381744385 27.7059 0 {} 0
128 {12.HE2} 2.97252 0.05079 0.07130 ++ {0.0} {} {12.HA} 4.13159 0.07698 0.10617 ++ {0.0} {} 69.9489974976 10.6500 0 {} 0
129 {12.HB1} 2.01451 0.04881 0.12126 ++ {0.0} {} {12.HA} 4.14529 0.06833 0.15907 ++ {0.0} {} 500.352966309 82.4125 0 {} 0
130 {9.HD21} 0.89089 0.03054 0.06802 ++ {0.0} {} {10.HA} 3.90632 0.05092 0.13297 ++ {0.0} {} 114.281219482 125.3590 0 {} 0
131 {13.HB} 1.90114 0.08433 0.12047 ++ {0.0} {} {13.HA} 4.14892 0.09577 0.16915 ++ {0.0} {} 585.622619629 62.4505 0 {} 0
132 {4.HB2} 1.75191 0.06134 0.12201 ++ {0.0} {} {5.HA} 4.10854 0.04670 0.13200 ++ {0.0} {} 381.60949707 131.1410 0 {} 0
133 {9.HG} 1.66307 0.07728 0.11040 ++ {0.0} {} {8.HA} 4.03592 0.03950 0.05918 ++ {0.0} {} 130.166793823 13.2516 0 {} 0
134 {9.HB1} 1.84322 0.08433 0.12047 ++ {0.0} {} {9.HA} 4.10828 0.09577 0.16915 ++ {0.0} {} 930.600097656 62.4505 0 {} 0
135 {12.HB1} 2.01205 0.01704 0.06042 ++ {0.0} {} {11.HA} 3.91152 0.07971 0.11339 ++ {0.0} {} 11.3744506836 4.5993 0 {} 0
136 {11.HB1} 1.91588 0.06024 0.08605 ++ {0.0} {} {11.HA} 3.93167 0.07528 0.19200 ++ {0.0} {} 619.573242187 59.0182 0 {} 0
137 {11.HB2} 1.83262 0.08433 0.12047 ++ {0.0} {} {11.HA} 3.92844 0.08165 0.15832 ++ {0.0} {} 801.598815918 64.9299 0 {} 0
138 {3.HB2} 1.80566 0.10346 0.15489 ++ {0.0} {} {3.HA} 4.01840 0.06862 0.13493 ++ {0.0} {} 618.026306152 38.4296 0 {} 0
139 {3.HB1} 1.86381 0.08433 0.12047 ++ {0.0} {} {3.HA} 4.01614 0.08165 0.15832 ++ {0.0} {} 591.258483887 64.9299 0 {} 0
140 {11.HG1} 1.66976 0.10346 0.15489 ++ {0.0} {} {11.HA} 3.92215 0.06862 0.13493 ++ {0.0} {} 529.152038574 38.4296 0 {} 0
141 {6.HG} 1.65684 0.08433 0.12047 ++ {0.0} {} {6.HA} 4.10339 0.09960 0.19754 ++ {0.0} {} 663.102661133 38.6206 0 {} 0
142 {12.HG2} 1.62715 0.06134 0.12201 ++ {0.0} {} {12.HA} 4.13848 0.04670 0.13200 ++ {0.0} {} 150.624420166 131.1410 0 {} 0
143 {8.HB1} 1.48405 0.04004 0.21861 ++ {0.0} {} {8.HA} 4.03246 0.05122 0.15646 ++ {0.0} {} 520.165466309 145.4980 0 {} 0
144 {7.HB1} 1.48590 0.03614 0.05163 ++ {0.0} {} {7.HA} 3.93643 0.07725 0.17211 ++ {0.0} {} 1061.82373047 201.0020 0 {} 0
145 {10.HB1} 1.44523 0.06024 0.06435 ++ {0.0} {} {10.HA} 3.90895 0.08817 0.16273 ++ {0.0} {} 1285.94689941 161.4560 0 {} 0
146 {13.HG12} 1.33335 0.07728 0.11040 ++ {0.0} {} {13.HA} 4.15784 0.03950 0.05918 ++ {0.0} {} 67.455909729 13.2516 0 {} 0
147 {13.HG12} 1.37394 0.06024 0.04938 ++ {0.0} {} {11.HA} 3.92178 0.08817 0.13482 ++ {0.0} {} 112.787963867 161.4560 0 {} 0
148 {13.HD11} 0.84943 0.03231 0.08605 ++ {0.0} {} {13.HA} 4.15181 0.06428 0.41952 ++ {0.0} {} 95.269241333 129.8070 0 {} 0
149 {9.HD11} 0.92295 0.03231 0.08605 ++ {0.0} {} {9.HA} 4.14112 0.06428 0.41952 ++ {0.0} {} 389.67855835 129.8070 0 {} 0
150 {9.HD11} 0.96198 0.05593 0.05848 ++ {0.0} {} {9.HA} 4.11944 0.09133 0.12615 ++ {0.0} {} 478.449859619 96.3300 0 {} 0
151 {9.HD11} 0.94416 0.05593 0.14625 ++ {0.0} {} {7.HA} 3.97185 0.09133 0.17493 ++ {0.0} {} 356.500335693 96.3300 0 {} 0
152 {3.HD21} 0.86057 0.03231 0.08605 ++ {0.0} {} {3.HA} 4.01920 0.06428 0.41952 ++ {0.0} {} 403.327270508 129.8070 0 {} 0
153 {9.HD11} 0.93767 0.03054 0.06802 ++ {0.0} {} {10.HA} 3.89777 0.05092 0.13297 ++ {0.0} {} 70.8069152832 125.3590 0 {} 0
154 {13.HG21} 0.93322 0.03054 0.06802 ++ {0.0} {} {14.HA} 4.40042 0.05092 0.13297 ++ {0.0} {} 36.9127388 125.3590 0 {} 0
155 {14.HD21} 0.88866 0.03054 0.06802 ++ {0.0} {} {14.HA} 4.39828 0.05092 0.13297 ++ {0.0} {} 373.787200928 125.3590 0 {} 0
156 {5.HB1} 1.45561 0.06134 0.12201 ++ {0.0} {} {5.HA} 4.16201 0.04670 0.13200 ++ {0.0} {} 592.458374023 131.1410 0 {} 0
157 {13.HG21} 0.90873 0.01439 0.05608 ++ {0.0} {} {12.HE2} 2.98036 0.04824 0.07712 ++ {0.0} {} 23.362159729 12.6756 0 {} 0
158 {13.HG21} 0.95542 0.03562 0.05089 ++ {0.0} {} {11.HE2} 2.98145 0.04347 0.06577 ++ {0.0} {} 30.9240036011 13.6569 0 {} 0
159 {1.HG12} 1.45298 0.03074 0.05857 ++ {0.0} {} {2.HB1} 3.10892 0.07268 0.13489 ++ {0.0} {} 125.795066833 28.2347 0 {} 0
160 {12.HD2} 1.47089 0.08305 0.15994 ++ {0.0} {} {12.HE2} 2.96231 0.08523 0.16619 ++ {0.0} {} 296.133666992 22.5111 0 {} 0
161 {1.HG12} 1.45318 0.03131 0.05470 ++ {0.0} {} {2.HB2} 2.80176 0.05742 0.12006 ++ {0.0} {} 61.5058517456 19.3813 0 {} 0
162 {12.HG2} 1.66840 0.07453 0.29399 ++ {0.0} {} {12.HE2} 2.95760 0.09706 0.17530 ++ {0.0} {} 563.064025879 46.0299 0 {} 0
163 {4.HG2} 1.61976 0.10080 0.15489 ++ {0.0} {} {4.HE2} 2.98676 0.06348 0.09410 ++ {0.0} {} 487.635375977 10.3336 0 {} 0
164 {11.HB1} 1.90651 0.06024 0.08605 ++ {0.0} {} {11.HE1} 2.97445 0.09153 0.10572 ++ {0.0} {} 102.970527649 8.4978 0 {} 0
165 {4.HB1} 1.85027 0.07666 0.10952 ++ {0.0} {} {4.HE1} 2.98924 0.10014 0.12080 ++ {0.0} {} 144.854736328 9.6933 0 {} 0
166 {12.HB1} 2.00963 0.10080 0.15489 ++ {0.0} {} {12.HE2} 2.98008 0.06348 0.09410 ++ {0.0} {} 130.098220825 10.3336 0 {} 0
167 {14.HG} 1.78649 0.06408 0.18897 ++ {0.0} {} {14.HD11} 0.89391 0.07530 0.21331 ++ {0.0} {} 2316.81225586 272.2350 0 {} 0
168 {3.HG} 1.54336 0.06024 0.08605 ++ {0.0} {} {3.HD21} 0.85558 0.07846 0.12660 ++ {0.0} {} 431.494049072 50.0030 0 {} 0
169 {14.HD21} 0.88316 0.03330 0.23739 ++ {0.0} {} {14.HG} 1.79593 0.08021 0.22708 ++ {0.0} {} 1908.21875 341.7280 0 {} 0
170 {14.HB2} 1.61143 0.06784 0.12047 ++ {0.0} {} {14.HD21} 0.89186 0.05579 0.13463 ++ {0.0} {} 540.313903809 84.0258 0 {} 0
171 {13.HB} 1.89876 0.03344 0.07945 ++ {0.0} {} {14.HD11} 0.84821 0.06189 0.11995 ++ {0.0} {} 127.815322876 84.7570 0 {} 0
172 {13.HB} 1.93357 0.03344 0.07945 ++ {0.0} {} {13.HG21} 0.94847 0.06189 0.11995 ++ {0.0} {} 288.610046387 84.7570 0 {} 0
173 {3.HG} 1.54453 0.08433 0.12047 ++ {0.0} {} {3.HB1} 1.88634 0.09599 0.15655 ++ {0.0} {} 1037.97290039 75.1248 0 {} 0
174 {1.HG12} 1.45399 0.10843 0.15489 ++ {0.0} {} {1.HB} 1.83561 0.10952 0.15646 ++ {0.0} {} 843.047180176 40.2854 0 {} 0
175 {2.HB1} 3.08563 0.04237 0.05945 ++ {0.0} {} {1.HG12} 1.45501 0.05217 0.07182 ++ {0.0} {} 67.2367019653 19.7400 0 {} 0
176 {12.HE2} 2.97229 0.09274 0.12193 ++ {0.0} {} {12.HD2} 1.45763 0.08242 0.11859 ++ {0.0} {} 328.518859863 23.2129 0 {} 0
177 {2.HB2} 2.80316 0.03614 0.05163 ++ {0.0} {} {1.HG12} 1.45614 0.05146 0.05487 ++ {0.0} {} 49.6234931946 13.9080 0 {} 0
178 {12.HE1} 2.99352 0.07403 0.12954 ++ {0.0} {} {12.HG2} 1.61250 0.04873 0.09831 ++ {0.0} {} 166.877243042 44.9837 0 {} 0
179 {4.HE1} 3.00213 0.07403 0.12954 ++ {0.0} {} {4.HB2} 1.72816 0.04873 0.09831 ++ {0.0} {} 229.002746582 44.9837 0 {} 0
180 {11.HE2} 2.94763 0.07403 0.12954 ++ {0.0} {} {11.HG2} 1.68685 0.04873 0.09831 ++ {0.0} {} 401.026123047 44.9837 0 {} 0
181 {6.HA} 4.09437 0.06024 0.08605 ++ {0.0} {} {6.HD11} 0.91979 0.11184 0.17434 ++ {0.0} {} 595.256835937 46.7386 0 {} 0
182 {6.HA} 4.09437 0.06024 0.08605 ++ {0.0} {} {6.HD11} 0.91979 0.11184 0.17434 ++ {0.0} {} 595.256835937 46.7386 0 {} 0
183 {13.HA} 4.13954 0.06024 0.08605 ++ {0.0} {} {13.HD11} 0.84750 0.11184 0.17434 ++ {0.0} {} 214.916442871 46.7386 0 {} 0
184 {13.HA} 4.14844 0.04968 0.12047 ++ {0.0} {} {13.HG21} 0.93000 0.04891 0.12195 ++ {0.0} {} 173.889785767 63.9432 0 {} 0
185 {3.HA} 4.00646 0.04968 0.12047 ++ {0.0} {} {3.HD21} 0.86391 0.04891 0.12195 ++ {0.0} {} 269.828155518 63.9432 0 {} 0
186 {10.HA} 3.89745 0.03056 0.09200 ++ {0.0} {} {9.HD21} 0.89439 0.11159 0.16456 ++ {0.0} {} 201.953903198 27.2599 0 {} 0
187 {3.HA} 4.00518 0.04484 0.06366 ++ {0.0} {} {3.HD11} 0.96905 0.03309 0.08851 ++ {0.0} {} 41.3890037537 19.3506 0 {} 0
188 {5.HA} 4.15480 0.04612 0.07017 ++ {0.0} {} {5.HB1} 1.47045 0.05645 0.13550 ++ {0.0} {} 341.568756104 48.7509 0 {} 0
189 {12.HA} 4.14733 0.03866 0.03540 ++ {0.0} {} {13.HG12} 1.34039 0.05101 0.04754 ++ {0.0} {} 39.3448524475 12.1598 0 {} 0
190 {8.HA} 4.02832 0.03317 0.14081 ++ {0.0} {} {7.HB1} 1.48863 0.05269 0.17873 ++ {0.0} {} 318.320892334 89.3786 0 {} 0
191 {4.HA} 3.92631 0.05405 0.12047 ++ {0.0} {} {4.HD2} 1.40011 0.08891 0.24095 ++ {0.0} {} 463.972076416 201.7140 0 {} 0
192 {6.HA} 4.08056 0.04907 0.08700 ++ {0.0} {} {6.HG} 1.67215 0.11596 0.17211 ++ {0.0} {} 335.851043701 43.9021 0 {} 0
193 {8.HA} 4.01723 0.05292 0.08005 ++ {0.0} {} {9.HG} 1.66893 0.09530 0.15646 ++ {0.0} {} 217.480377197 25.3711 0 {} 0
194 {9.HA} 4.09711 0.04796 0.08471 ++ {0.0} {} {9.HB2} 1.75949 0.12047 0.17211 ++ {0.0} {} 534.752319336 51.4691 0 {} 0
195 {12.HA} 4.14620 0.04612 0.07017 ++ {0.0} {} {12.HG1} 1.59231 0.05645 0.13550 ++ {0.0} {} 84.9773025513 48.7509 0 {} 0
196 {13.HA} 4.14439 0.03433 0.05664 ++ {0.0} {} {13.HB} 1.90842 0.05356 0.10326 ++ {0.0} {} 125.984985352 37.0965 0 {} 0
197 {12.HA} 4.13212 0.04563 0.08993 ++ {0.0} {} {12.HB1} 2.01661 0.06594 0.13110 ++ {0.0} {} 293.698883057 58.8844 0 {} 0
198 {3.HA} 4.01122 0.04206 0.08605 ++ {0.0} {} {3.HB2} 1.82513 0.13467 0.23264 ++ {0.0} {} 425.18661499 41.8871 0 {} 0
199 {11.HA} 3.92773 0.05624 0.12877 ++ {0.0} {} {11.HB1} 1.91293 0.12047 0.17211 ++ {0.0} {} 984.295410156 79.9146 0 {} 0
200 {11.HA} 3.91267 0.05624 0.12877 ++ {0.0} {} {11.HB2} 1.83238 0.12047 0.17211 ++ {0.0} {} 962.387329102 79.9146 0 {} 0
201 {11.HA} 3.91062 0.04907 0.08700 ++ {0.0} {} {11.HG1} 1.66595 0.11596 0.17211 ++ {0.0} {} 442.496459961 43.9021 0 {} 0
202 {11.HA} 3.92416 0.05405 0.12047 ++ {0.0} {} {12.HD1} 1.48066 0.08891 0.24095 ++ {0.0} {} 1750.09936523 201.7140 0 {} 0
203 {2.HB1} 3.09162 0.07556 0.13106 ++ {0.0} {} {2.HB2} 2.80033 0.07370 0.15738 ++ {0.0} {} 829.194641113 85.0302 0 {} 0
204 {2.HB2} 2.80978 0.05826 0.08323 ++ {0.0} {} {2.HB1} 3.11029 0.07605 0.15417 ++ {0.0} {} 631.683105469 89.8753 0 {} 0
205 {14.HB2} 1.61192 0.03614 0.05163 ++ {0.0} {} {12.HB1} 2.01588 0.04175 0.05841 ++ {0.0} {} 37.0704689026 21.6110 0 {} 0
206 {12.HB2} 1.70383 0.03614 0.05163 ++ {0.0} {} {12.HB1} 2.01588 0.04175 0.05841 ++ {0.0} {} 51.1095848083 21.6110 0 {} 0
207 {12.HA} 4.12128 0.04968 0.10890 ++ {0.0} {} {12.HN} 7.56267 0.04342 0.11896 ++ {0.0} {} 70.7885513306 23.5320 0 {} 0
208 {11.HA} 3.89181 0.04446 0.08682 ++ {0.0} {} {12.HN} 7.56325 0.04226 0.10269 ++ {0.0} {} 43.2220001221 17.6345 0 {} 0
209 {11.HE2} 2.93629 0.04889 0.08408 ++ {0.0} {} {11.HZ1} 7.46348 0.05942 0.12614 ++ {0.0} {} 337.509765625 43.3399 0 {} 0
210 {12.HE1} 2.98778 0.07735 0.11050 ++ {0.0} {} {12.HZ1} 7.49130 0.06455 0.11405 ++ {0.0} {} 370.179321289 47.6569 0 {} 0
211 {4.HE1} 3.00522 0.04889 0.08408 ++ {0.0} {} {4.HZ1} 7.43512 0.05942 0.12614 ++ {0.0} {} 272.968261719 43.3399 0 {} 0
212 {11.HA} 3.89740 0.04671 0.07910 ++ {0.0} {} {13.HN} 7.65209 0.05854 0.09296 ++ {0.0} {} 95.6248550415 39.5252 0 {} 0
213 {7.HA} 3.93063 0.04671 0.10437 ++ {0.0} {} {8.HN} 7.71790 0.05854 0.12256 ++ {0.0} {} 251.54725647 39.5252 0 {} 0
214 {13.HA} 4.14263 0.05123 0.05928 ++ {0.0} {} {14.HN} 7.83376 0.05263 0.13645 ++ {0.0} {} 75.1413650513 41.0860 0 {} 0
215 {6.HA} 4.09173 0.06921 0.12047 ++ {0.0} {} {6.HN} 7.73620 0.06659 0.13506 ++ {0.0} {} 366.787475586 39.4555 0 {} 0
216 {6.HA} 4.09173 0.06921 0.12047 ++ {0.0} {} {6.HN} 7.73620 0.06659 0.13506 ++ {0.0} {} 366.787475586 39.4555 0 {} 0
217 {6.HA} 4.09173 0.06921 0.12047 ++ {0.0} {} {6.HN} 7.73620 0.06659 0.13506 ++ {0.0} {} 366.787475586 39.4555 0 {} 0
218 {5.HA} 4.14861 0.02806 0.07760 ++ {0.0} {} {5.HN} 7.69461 0.09712 0.13599 ++ {0.0} {} 220.458984375 27.2377 0 {} 0
219 {6.HA} 4.09173 0.06921 0.12047 ++ {0.0} {} {6.HN} 7.73620 0.06659 0.13506 ++ {0.0} {} 366.787475586 39.4555 0 {} 0
220 {8.HA} 4.02008 0.05123 0.08605 ++ {0.0} {} {8.HN} 7.72208 0.05263 0.11011 ++ {0.0} {} 262.577697754 41.0860 0 {} 0
221 {11.HA} 3.89683 0.05381 0.10100 ++ {0.0} {} {14.HN} 7.83671 0.06905 0.11352 ++ {0.0} {} 82.9549407959 13.5071 0 {} 0
222 {11.HA} 3.90088 0.03671 0.13443 ++ {0.0} {} {11.HN} 7.97446 0.04393 0.14059 ++ {0.0} {} 102.85370636 41.4128 0 {} 0
223 {3.HA} 4.02244 0.04101 0.06434 ++ {0.0} {} {1.HT1} 7.96905 0.04686 0.09926 ++ {0.0} {} 30.7958126068 8.9486 0 {} 0
224 {4.HA} 3.92991 0.03307 0.08705 ++ {0.0} {} {4.HN} 8.14596 0.05246 0.10978 ++ {0.0} {} 107.337753296 34.6112 0 {} 0
225 {7.HA} 3.95295 0.03052 0.06848 ++ {0.0} {} {10.HN} 8.35382 0.04963 0.16027 ++ {0.0} {} 281.346008301 79.6378 0 {} 0
226 {10.HA} 3.88048 0.01758 0.07294 ++ {0.0} {} {10.HN} 8.37131 0.05701 0.11553 ++ {0.0} {} 73.897605896 35.3649 0 {} 0
227 {4.HA} 3.94031 0.04683 0.06555 ++ {0.0} {} {3.HN} 8.54336 0.04444 0.07444 ++ {0.0} {} 24.026517868 17.2473 0 {} 0
228 {9.HA} 4.10258 0.05224 0.08051 ++ {0.0} {} {10.HN} 8.38208 0.10602 0.10073 ++ {0.0} {} 77.3667831421 9.3476 0 {} 0
229 {3.HA} 4.00765 0.05373 0.06296 ++ {0.0} {} {4.HN} 8.14529 0.05070 0.10293 ++ {0.0} {} 39.4537239075 7.5204 0 {} 0
230 {2.HB1} 3.09229 0.07622 0.12862 ++ {0.0} {} {2.HN} 8.35957 0.04593 0.12357 ++ {0.0} {} 112.013793945 19.0514 0 {} 0
231 {2.HB2} 2.77581 0.01340 0.03394 ++ {0.0} {} {2.HN} 8.36427 0.04610 0.12521 ++ {0.0} {} 35.7865638733 20.2375 0 {} 0
232 {2.HB2} 2.81558 0.01340 0.04334 ++ {0.0} {} {2.HN} 8.36244 0.04610 0.12338 ++ {0.0} {} 42.3949241638 20.2375 0 {} 0
233 {2.HB2} 2.78952 0.01273 0.09460 ++ {0.0} {} {3.HN} 8.54492 0.05240 0.09479 ++ {0.0} {} 12.3155937195 8.1101 0 {} 0
234 {12.HB1} 2.01641 0.04722 0.08941 ++ {0.0} {} {13.HN} 7.64809 0.04509 0.10220 ++ {0.0} {} 79.3833465576 48.6947 0 {} 0
235 {12.HB1} 2.01226 0.04722 0.08941 ++ {0.0} {} {12.HN} 7.56234 0.04509 0.10220 ++ {0.0} {} 163.528198242 48.6947 0 {} 0
236 {13.HB} 1.90413 0.07773 0.12043 ++ {0.0} {} {13.HN} 7.66936 0.07592 0.10768 ++ {0.0} {} 336.481079102 22.8054 0 {} 0
237 {12.HB2} 1.68436 0.07773 0.12043 ++ {0.0} {} {12.HN} 7.55636 0.07592 0.10768 ++ {0.0} {} 140.964233398 22.8054 0 {} 0
238 {12.HD1} 1.45238 0.06236 0.06423 ++ {0.0} {} {12.HN} 7.56017 0.04509 0.04701 ++ {0.0} {} 47.2623825073 13.5641 0 {} 0
239 {12.HG1} 1.62731 0.07773 0.12043 ++ {0.0} {} {12.HN} 7.55170 0.07592 0.10768 ++ {0.0} {} 119.640228271 22.8054 0 {} 0
240 {11.HB2} 1.82720 0.04309 0.05716 ++ {0.0} {} {12.HN} 7.56364 0.03934 0.01758 ++ {0.0} {} 23.1833209991 8.3617 0 {} 0
241 {11.HB1} 1.91102 0.07666 0.10952 ++ {0.0} {} {12.HN} 7.56063 0.01837 0.03754 ++ {0.0} {} 61.521522522 12.1249 0 {} 0
242 {6.HB1} 1.82005 0.08433 0.12047 ++ {0.0} {} {6.HN} 7.73411 0.05690 0.17211 ++ {0.0} {} 771.751647949 69.0241 0 {} 0
243 {6.HB1} 1.82005 0.08433 0.12047 ++ {0.0} {} {6.HN} 7.73411 0.05690 0.17211 ++ {0.0} {} 771.751647949 69.0241 0 {} 0
244 {9.HB2} 1.75815 0.08200 0.11714 ++ {0.0} {} {9.HN} 7.73608 0.05465 0.11000 ++ {0.0} {} 497.044250488 33.2830 0 {} 0
245 {8.HB1} 1.48216 0.03878 0.12961 ++ {0.0} {} {8.HN} 7.71953 0.05349 0.17414 ++ {0.0} {} 725.420959473 200.0390 0 {} 0
246 {13.HG12} 1.33477 0.06638 0.05996 ++ {0.0} {} {13.HN} 7.65710 0.04495 0.04108 ++ {0.0} {} 46.2392654419 11.9568 0 {} 0
247 {13.HG11} 1.56181 0.07288 0.08524 ++ {0.0} {} {13.HN} 7.65484 0.05273 0.06172 ++ {0.0} {} 118.44203949 15.6538 0 {} 0
248 {6.HG} 1.65222 0.08200 0.11714 ++ {0.0} {} {6.HN} 7.73409 0.05465 0.11000 ++ {0.0} {} 258.619842529 33.2830 0 {} 0
249 {13.HB} 1.90106 0.08433 0.08744 ++ {0.0} {} {14.HN} 7.83582 0.05690 0.10447 ++ {0.0} {} 137.756378174 69.0241 0 {} 0
250 {14.HB1} 1.78735 0.05939 0.12562 ++ {0.0} {} {14.HN} 7.84049 0.06820 0.13652 ++ {0.0} {} 319.864135742 48.5764 0 {} 0
251 {14.HB2} 1.60154 0.06214 0.09420 ++ {0.0} {} {14.HN} 7.83850 0.05703 0.08327 ++ {0.0} {} 125.392036438 18.9648 0 {} 0
252 {12.HD2} 1.48040 0.04361 0.09636 ++ {0.0} {} {11.HN} 7.97790 0.04668 0.10430 ++ {0.0} {} 63.2795562744 44.1778 0 {} 0
253 {12.HD1} 1.44717 0.04361 0.09636 ++ {0.0} {} {11.HN} 7.96992 0.04668 0.10430 ++ {0.0} {} 158.974197388 44.1778 0 {} 0
254 {11.HG1} 1.66961 0.05078 0.15332 ++ {0.0} {} {11.HN} 7.97076 0.04400 0.08014 ++ {0.0} {} 72.6244735718 20.8267 0 {} 0
255 {11.HB2} 1.82527 0.07542 0.11971 ++ {0.0} {} {11.HN} 7.96842 0.04675 0.06725 ++ {0.0} {} 137.89100647 23.1219 0 {} 0
256 {11.HB1} 1.91802 0.05569 0.11024 ++ {0.0} {} {11.HN} 7.97034 0.04428 0.10330 ++ {0.0} {} 75.1318893433 20.4350 0 {} 0
257 {4.HB1} 1.86290 0.09230 0.18730 ++ {0.0} {} {4.HN} 8.14454 0.05366 0.10140 ++ {0.0} {} 384.119384766 36.9109 0 {} 0
258 {4.HB2} 1.71466 0.03972 0.06322 ++ {0.0} {} {4.HN} 8.14611 0.05432 0.10446 ++ {0.0} {} 41.7770614624 12.6115 0 {} 0
259 {3.HG} 1.55607 0.03929 0.08736 ++ {0.0} {} {4.HN} 8.14842 0.04787 0.04858 ++ {0.0} {} 32.958896637 13.1820 0 {} 0
260 {3.HG} 1.56230 0.07872 0.07017 ++ {0.0} {} {2.HN} 8.35632 0.05229 0.09031 ++ {0.0} {} 50.1227111816 14.8737 0 {} 0
261 {11.HB1} 1.93773 0.05794 0.08854 ++ {0.0} {} {10.HN} 8.35685 0.04774 0.12496 ++ {0.0} {} 64.3315658569 13.7020 0 {} 0
262 {9.HB1} 1.84953 0.06745 0.09274 ++ {0.0} {} {10.HN} 8.37864 0.04685 0.06391 ++ {0.0} {} 88.8531112671 20.4253 0 {} 0
263 {9.HB2} 1.74833 0.06346 0.09586 ++ {0.0} {} {10.HN} 8.37097 0.06153 0.10878 ++ {0.0} {} 159.986785889 24.0813 0 {} 0
264 {6.HB2} 1.81422 0.06745 0.09274 ++ {0.0} {} {7.HN} 8.31283 0.04685 0.06391 ++ {0.0} {} 99.9336242676 20.4253 0 {} 0
265 {6.HG} 1.64929 0.03110 0.09470 ++ {0.0} {} {7.HN} 8.30855 0.05088 0.11442 ++ {0.0} {} 46.904800415 13.8433 0 {} 0
266 {3.HB1} 1.87269 0.03216 0.11228 ++ {0.0} {} {3.HN} 8.55297 0.04471 0.12113 ++ {0.0} {} 57.641040802 21.2857 0 {} 0
267 {3.HB2} 1.78020 0.02854 0.12001 ++ {0.0} {} {3.HN} 8.54669 0.04631 0.12524 ++ {0.0} {} 103.031188965 26.8110 0 {} 0
268 {3.HG} 1.53918 0.06304 0.09160 ++ {0.0} {} {3.HN} 8.54251 0.04730 0.10188 ++ {0.0} {} 75.4774703979 14.9514 0 {} 0
269 {4.HD1} 1.45553 0.02532 0.06666 ++ {0.0} {} {3.HN} 8.53012 0.06329 0.17675 ++ {0.0} {} 23.8038444519 83.1944 0 {} 0
270 {7.HB1} 1.48880 0.03611 0.09404 ++ {0.0} {} {7.HN} 8.30915 0.05129 0.12606 ++ {0.0} {} 348.095855713 108.7470 0 {} 0
271 {13.HG21} 0.93109 0.02271 0.04010 ++ {0.0} {} {13.HN} 7.65484 0.04747 0.10633 ++ {0.0} {} 62.8748054504 30.6089 0 {} 0
272 {9.HD11} 0.91724 0.02891 0.05163 ++ {0.0} {} {9.HN} 7.73461 0.02964 0.15646 ++ {0.0} {} 84.2989654541 36.7982 0 {} 0
273 {9.HD21} 0.87362 0.02891 0.05163 ++ {0.0} {} {8.HN} 7.73860 0.02964 0.15646 ++ {0.0} {} 67.4717102051 36.7982 0 {} 0
274 {3.HD11} 0.95658 0.02891 0.05163 ++ {0.0} {} {5.HN} 7.73882 0.02964 0.15646 ++ {0.0} {} 51.2507476807 36.7982 0 {} 0
275 {13.HG21} 0.92930 0.00972 0.02765 ++ {0.0} {} {14.HN} 7.84192 0.06898 0.10973 ++ {0.0} {} 37.4443817139 18.3598 0 {} 0
276 {14.HD21} 0.88438 0.02584 0.05163 ++ {0.0} {} {14.HN} 7.83908 0.06847 0.12140 ++ {0.0} {} 121.852035522 39.1355 0 {} 0
277 {3.HD21} 0.86045 0.02918 0.04420 ++ {0.0} {} {3.HN} 8.53864 0.04643 0.06693 ++ {0.0} {} 73.7991409302 23.2500 0 {} 0
278 {3.HD11} 0.98663 0.03477 0.05817 ++ {0.0} {} {3.HN} 8.53947 0.04779 0.06303 ++ {0.0} {} 64.7556304932 19.0690 0 {} 0
279 {9.HD11} 0.95168 0.01311 0.04682 ++ {0.0} {} {10.HN} 8.36000 0.05187 0.09245 ++ {0.0} {} 52.1499786377 25.4435 0 {} 0
280 {9.HD21} 0.87192 0.03614 0.05163 ++ {0.0} {} {10.HN} 8.33988 0.06387 0.09356 ++ {0.0} {} 76.5427093506 19.7454 0 {} 0
281 {9.HD11} 0.90931 0.03614 0.05163 ++ {0.0} {} {10.HN} 8.36182 0.06387 0.09356 ++ {0.0} {} 104.452972412 19.7454 0 {} 0
282 {3.HD21} 0.86080 0.02806 0.05879 ++ {0.0} {} {4.HN} 8.14489 0.04722 0.09350 ++ {0.0} {} 24.5177612305 9.3622 0 {} 0
283 {3.HD11} 0.98687 0.02351 0.05124 ++ {0.0} {} {4.HN} 8.14490 0.04495 0.07563 ++ {0.0} {} 12.6545982361 7.0222 0 {} 0
284 {12.HD2} 1.46185 0.02271 0.08675 ++ {0.0} {} {12.HZ1} 7.46169 0.04747 0.07142 ++ {0.0} {} 14.9081125259 30.6089 0 {} 0
285 {12.HB2} 1.67980 0.07773 0.13141 ++ {0.0} {} {12.HZ1} 7.45996 0.07592 0.11608 ++ {0.0} {} 227.855041504 22.8054 0 {} 0
286 {4.HG2} 1.60856 0.03929 0.10172 ++ {0.0} {} {4.HN} 8.14404 0.04787 0.09520 ++ {0.0} {} 48.1226234436 13.1820 0 {} 0
287 {4.HD2} 1.45453 0.07872 0.12974 ++ {0.0} {} {4.HN} 8.14156 0.05229 0.06806 ++ {0.0} {} 94.2372360229 14.8737 0 {} 0
288 {10.HB1} 1.44640 0.02532 0.06874 ++ {0.0} {} {10.HN} 8.37018 0.06329 0.18812 ++ {0.0} {} 286.21963501 83.1944 0 {} 0
289 {13.HG21} 0.92881 0.02271 0.08583 ++ {0.0} {} {12.HN} 7.55844 0.04747 0.09527 ++ {0.0} {} 17.1127605438 30.6089 0 {} 0
290 {2.HB1} 3.07836 0.02286 0.05531 ++ {0.0} {} {5.HN} 7.70023 0.08160 0.10736 ++ {0.0} {} 23.1819725037 5.5653 0 {} 0
291 {2.HB1} 3.11753 0.02286 0.04959 ++ {0.0} {} {5.HN} 7.70548 0.08160 0.10443 ++ {0.0} {} 22.1551876068 5.5653 0 {} 0
292 {2.HB2} 2.79915 0.02966 0.06926 ++ {0.0} {} {5.HN} 7.69202 0.06888 0.11754 ++ {0.0} {} 24.3772296906 6.5478 0 {} 0
293 {3.HA} 4.00627 0.04683 0.06489 ++ {0.0} {} {3.HN} 8.54179 0.04444 0.06211 ++ {0.0} {} 51.7497024536 17.2473 0 {} 0
294 {6.HA} 4.08253 0.05224 0.06448 ++ {0.0} {} {7.HN} 8.30873 0.09497 0.08356 ++ {0.0} {} 50.3725166321 9.3476 0 {} 0
295 {2.HB1} 3.09527 0.06151 0.08249 ++ {0.0} {} {3.HN} 8.54481 0.04741 0.07365 ++ {0.0} {} 29.6061325073 5.7423 0 {} 0
296 {10.HN} 8.32607 0.02259 0.05641 ++ {0.0} {} {11.HB1} 1.94366 0.04447 0.09443 ++ {0.0} {} 0.0 15.7509 0 {} 0
297 {9.HA} 4.09393 0.06620 0.06371 ++ {0.0} {} {12.HN} 7.54871 0.06004 0.05619 ++ {0.0} {} 0.0 3.1995 0 {} 0
298 {13.HN} 7.63358 0.03286 0.04694 ++ {0.0} {} {10.HA} 3.90042 0.07653 0.07887 ++ {0.0} {} 0.0 6.9745 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 . . 8012.820 Hz . . . 4.696 . . 30482 2
2 . . H 1 H . . 8002.124 Hz . . . 4.696 . . 30482 2
stop_
save_