Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 31057
_Spectral_peak_list.ID 5
_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 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 16
_Spectral_peak_list.Experiment_name '3D H(CCO)NH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_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
HN H1 N15
AbdA_hcconh.nv
2580.9921875 6300.0 1300.01000977
599.664978027 599.664978027 60.7700004578
HN.L HN.P HN.W HN.B HN.E HN.J HN.U H1.L H1.P H1.W H1.B H1.E H1.J H1.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0
0 {} 8.76686 0.03448 0.04768 ++ {0.0} {} {42.HA} 4.97638 0.06944 0.10749 ++ {0.0} {} {} 109.32677 0.30758 0.48807 ++ {0.0} {} 0.0 0.0867 0 {} 0
1 {} 8.76529 0.02040 0.03928 ++ {0.0} {} {} 1.66632 0.08450 0.11876 ++ {0.0} {} {} 109.33073 0.30743 0.47170 ++ {0.0} {} 0.0 0.0769 0 {} 0
2 {} 8.76879 0.03248 0.04005 ++ {0.0} {} {42.HB3} 1.36795 0.07259 0.09610 ++ {0.0} {} {} 109.33047 0.33753 0.47005 ++ {0.0} {} 0.0 0.0589 0 {} 0
3 {} 8.76686 0.02360 0.03907 ++ {0.0} {} {42.HD21} 0.94876 0.04390 0.06872 ++ {0.0} {} {} 109.32505 0.30963 0.46742 ++ {0.0} {} 0.0 0.0730 0 {} 0
4 {} 8.76891 0.03022 0.04256 ++ {0.0} {} {42.HD11} 0.71173 0.06313 0.09015 ++ {0.0} {} {} 109.31963 0.31032 0.48544 ++ {0.0} {} 0.0 0.0822 0 {} 0
5 {} 8.03183 0.02079 0.05100 ++ {0.0} {} {37.HB1} 1.49317 0.06106 0.10929 ++ {0.0} {} {} 114.31057 0.30511 0.58890 ++ {0.0} {} 0.0 0.5124 0 {} 0
6 {} 8.03262 0.01823 0.01833 ++ {0.0} {} {37.HA} 3.79112 0.06230 0.06258 ++ {0.0} {} {} 114.32568 0.31464 0.31660 ++ {0.0} {} 0.0 0.0360 0 {} 0
7 {} 8.40719 0.02830 0.06303 ++ {0.0} {} {39.HB1} 1.62025 0.05993 0.11263 ++ {0.0} {} {} 112.99314 0.31447 0.61716 ++ {0.0} {} 0.0 0.4890 0 {} 0
8 {} 7.37147 0.02582 0.05488 ++ {0.0} {} {56.HA} 4.28473 0.06446 0.11816 ++ {0.0} {} {} 118.33069 0.28869 0.55846 ++ {0.0} {} 0.0 0.2798 0 {} 0
9 {} 7.37127 0.02569 0.05821 ++ {0.0} {} {56.HG2} 2.82773 0.07169 0.13289 ++ {0.0} {} {} 118.33179 0.29949 0.57743 ++ {0.0} {} 0.0 0.2548 0 {} 0
10 {} 7.37096 0.02598 0.05797 ++ {0.0} {} {56.HG3} 2.68198 0.07064 0.12867 ++ {0.0} {} {} 118.33002 0.29647 0.57185 ++ {0.0} {} 0.0 0.2577 0 {} 0
11 {} 8.65384 0.02572 0.03619 ++ {0.0} {} {25.HA} 4.62979 0.06127 0.08349 ++ {0.0} {} {} 119.53993 0.30148 0.44053 ++ {0.0} {} 0.0 0.0340 0 {} 0
12 {} 8.65059 0.03017 0.06972 ++ {0.0} {} {25.HB3} 2.90587 0.07670 0.12346 ++ {0.0} {} {} 119.42184 0.33626 0.62428 ++ {0.0} {} 0.0 0.1278 0 {} 0
13 {} 8.17187 0.02861 0.02893 ++ {0.0} {} {9.HG21} 1.05121 0.04847 0.04920 ++ {0.0} {} {} 120.68169 0.31970 0.32500 ++ {0.0} {} 0.0 0.2034 0 {} 0
14 {} 8.16907 0.02639 0.02300 ++ {0.0} {} {9.HA} 4.27407 0.05389 0.04619 ++ {0.0} {} {} 120.68502 0.32659 0.27374 ++ {0.0} {} 0.0 0.1102 0 {} 0
15 {} 8.17154 0.02895 0.04130 ++ {0.0} {} {9.HB} 4.06501 0.05525 0.08170 ++ {0.0} {} {} 120.68661 0.32176 0.48643 ++ {0.0} {} 0.0 0.2622 0 {} 0
16 {} 9.09275 0.01373 0.01382 ++ {0.0} {} {11.HG21} 1.41433 0.04849 0.04879 ++ {0.0} {} {} 123.35078 0.29460 0.29637 ++ {0.0} {} 0.0 0.0184 0 {} 0
17 {} 9.09345 0.02853 0.05403 ++ {0.0} {} {11.HB} 4.89939 0.06044 0.08056 ++ {0.0} {} {} 123.35348 0.31177 0.47259 ++ {0.0} {} 0.0 0.0379 0 {} 0
18 {} 9.09501 0.00871 0.02179 ++ {0.0} {} {11.HA} 4.50780 0.04957 0.05846 ++ {0.0} {} {} 123.30713 0.21613 0.27169 ++ {0.0} {} 0.0 0.0197 0 {} 0
19 {} 8.23823 0.02523 0.05172 ++ {0.0} {} {15.HG21} 1.34550 0.05671 0.10785 ++ {0.0} {} {} 121.01517 0.30900 0.59104 ++ {0.0} {} 0.0 0.2101 0 {} 0
20 {} 8.23828 0.02189 0.05698 ++ {0.0} {} {15.HA} 3.43844 0.05689 0.10954 ++ {0.0} {} {} 121.01327 0.30924 0.58397 ++ {0.0} {} 0.0 0.1643 0 {} 0
21 {} 8.23822 0.01599 0.02709 ++ {0.0} {} {15.HB} 4.33052 0.05443 0.08446 ++ {0.0} {} {} 121.02490 0.27518 0.45204 ++ {0.0} {} 0.0 0.0513 0 {} 0
22 {} 8.23822 0.01599 0.02709 ++ {0.0} {} {} 4.33052 0.05443 0.08446 ++ {0.0} {} {} 121.02490 0.27518 0.45204 ++ {0.0} {} 0.0 0.0513 -1 {} 0
23 {} 9.15305 0.02102 0.03971 ++ {0.0} {} {43.HG21} 1.35972 0.04348 0.08494 ++ {0.0} {} {} 120.60480 0.32242 0.55796 ++ {0.0} {} 0.0 0.0544 0 {} 0
24 {} 9.15250 0.02327 0.05240 ++ {0.0} {} {43.HA} 4.65968 0.06095 0.09897 ++ {0.0} {} {} 120.61919 0.27840 0.46734 ++ {0.0} {} 0.0 0.0456 0 {} 0
25 {} 9.14873 0.02479 0.04981 ++ {0.0} {} {43.HB} 4.80538 0.06178 0.10698 ++ {0.0} {} {} 120.61425 0.32065 0.58609 ++ {0.0} {} 0.0 0.0852 0 {} 0
26 {} 9.06056 0.02405 0.04855 ++ {0.0} {} {21.HA} 4.30566 0.06635 0.11645 ++ {0.0} {} {} 121.33479 0.30038 0.57205 ++ {0.0} {} 0.0 0.1534 0 {} 0
27 {} 9.06140 0.02493 0.05318 ++ {0.0} {} {21.HG3} 2.48496 0.13112 0.21000 ++ {0.0} {} {} 121.33572 0.30952 0.58127 ++ {0.0} {} 0.0 0.1202 0 {} 0
28 {} 7.94027 0.02147 0.05309 ++ {0.0} {} {22.HB3} 3.19193 0.07900 0.11286 ++ {0.0} {} {} 114.31911 0.30462 0.58842 ++ {0.0} {} 0.0 0.2146 0 {} 0
29 {} 8.86598 0.03451 0.06485 ++ {0.0} {} {29.HG21} 1.39667 0.05565 0.08893 ++ {0.0} {} {} 122.68916 0.29879 0.52967 ++ {0.0} {} 0.0 0.0645 0 {} 0
30 {} 8.87094 0.01077 0.03217 ++ {0.0} {} {29.HA} 4.44530 0.06277 0.09439 ++ {0.0} {} {} 122.67630 0.30200 0.48342 ++ {0.0} {} 0.0 0.0367 0 {} 0
31 {} 8.86730 0.03208 0.06333 ++ {0.0} {} {29.HB} 4.70082 0.05747 0.10784 ++ {0.0} {} {} 122.69323 0.30628 0.56793 ++ {0.0} {} 0.0 0.1006 0 {} 0
32 {} 8.67591 0.02594 0.05505 ++ {0.0} {} {35.HG3} 2.29309 0.07539 0.13812 ++ {0.0} {} {} 120.68175 0.31177 0.60233 ++ {0.0} {} 0.0 0.2155 0 {} 0
33 {} 8.67528 0.02568 0.05228 ++ {0.0} {} {35.HG2} 2.59568 0.06580 0.12632 ++ {0.0} {} {} 120.67832 0.31003 0.59916 ++ {0.0} {} 0.0 0.2175 0 {} 0
34 {} 8.67546 0.02511 0.05350 ++ {0.0} {} {35.HA} 4.08997 0.05319 0.11171 ++ {0.0} {} {} 120.67750 0.31628 0.60684 ++ {0.0} {} 0.0 0.1803 0 {} 0
35 {} 8.35114 0.02464 0.05394 ++ {0.0} {} {44.HG3} 2.07103 0.07241 0.13142 ++ {0.0} {} {} 118.66969 0.30660 0.59276 ++ {0.0} {} 0.0 0.2200 0 {} 0
36 {} 8.35084 0.02451 0.05569 ++ {0.0} {} {44.HG2} 2.36063 0.06318 0.12166 ++ {0.0} {} {} 118.67398 0.30432 0.58856 ++ {0.0} {} 0.0 0.2223 0 {} 0
37 {} 8.34937 0.02698 0.05798 ++ {0.0} {} {44.HA} 3.72399 0.05594 0.11272 ++ {0.0} {} {} 118.67591 0.30978 0.59355 ++ {0.0} {} 0.0 0.1746 0 {} 0
38 {} 8.03506 0.02808 0.04851 ++ {0.0} {} {46.HA} 4.09064 0.05623 0.10837 ++ {0.0} {} {} 120.62122 0.33300 0.61536 ++ {0.0} {} 0.0 0.0965 0 {} 0
39 {} 8.56506 0.02363 0.04372 ++ {0.0} {} {47.HA} 3.95337 0.06286 0.11309 ++ {0.0} {} {} 121.65594 0.34252 0.63991 ++ {0.0} {} 0.0 0.1113 0 {} 0
40 {} 8.56517 0.02287 0.03924 ++ {0.0} {} {47.HB} 2.17977 0.06558 0.09991 ++ {0.0} {} {} 121.64521 0.33026 0.55467 ++ {0.0} {} 0.0 0.0458 0 {} 0
41 {} 8.56728 0.01899 0.04054 ++ {0.0} {} {47.HG13} 1.57376 0.07852 0.12101 ++ {0.0} {} {} 121.62357 0.28951 0.48387 ++ {0.0} {} 0.0 0.0446 0 {} 0
42 {} 8.56454 0.02148 0.04672 ++ {0.0} {} {47.HG21} 1.00570 0.06579 0.11414 ++ {0.0} {} {} 121.64216 0.32865 0.61687 ++ {0.0} {} 0.0 0.1192 0 {} 0
43 {} 8.56242 0.02263 0.03345 ++ {0.0} {} {47.HD11} 0.77576 0.06452 0.09598 ++ {0.0} {} {} 121.64339 0.36123 0.60174 ++ {0.0} {} 0.0 0.0439 0 {} 0
44 {} 8.60233 0.02064 0.03181 ++ {0.0} {} {48.HG3} 1.49834 0.06315 0.09313 ++ {0.0} {} {} 119.55734 0.29742 0.48133 ++ {0.0} {} 0.0 0.0384 0 {} 0
45 {} 8.59779 0.02713 0.04922 ++ {0.0} {} {48.HD3} 1.72633 0.09989 0.15180 ++ {0.0} {} {} 119.55333 0.30472 0.54244 ++ {0.0} {} 0.0 0.0667 0 {} 0
46 {} 8.60061 0.01559 0.02528 ++ {0.0} {} {48.HB3} 1.97679 0.05031 0.08142 ++ {0.0} {} {} 119.63485 0.37719 0.61678 ++ {0.0} {} 0.0 0.0402 0 {} 0
47 {} 8.60194 0.01825 0.03166 ++ {0.0} {} {48.HB2} 2.17383 0.06942 0.10606 ++ {0.0} {} {} 119.60177 0.36731 0.59867 ++ {0.0} {} 0.0 0.0396 0 {} 0
48 {} 8.60129 0.01717 0.03006 ++ {0.0} {} {48.HE3} 3.01132 0.06481 0.09069 ++ {0.0} {} {} 119.48080 0.43549 0.70050 ++ {0.0} {} 0.0 0.0375 0 {} 0
49 {} 8.59914 0.02147 0.03507 ++ {0.0} {} {48.HA} 4.41209 0.05840 0.09271 ++ {0.0} {} {} 119.60802 0.31668 0.53990 ++ {0.0} {} 0.0 0.0497 0 {} 0
50 {} 8.16996 0.02437 0.05037 ++ {0.0} {} {49.HA} 3.87433 0.06538 0.11544 ++ {0.0} {} {} 122.34039 0.30716 0.58662 ++ {0.0} {} 0.0 0.1625 0 {} 0
51 {} 8.16872 0.02032 0.03662 ++ {0.0} {} {49.HB} 1.98529 0.06990 0.11033 ++ {0.0} {} {} 122.32197 0.31856 0.57207 ++ {0.0} {} 0.0 0.0718 0 {} 0
52 {} 8.16862 0.02639 0.04588 ++ {0.0} {} {49.HG12} 1.77900 0.06572 0.11373 ++ {0.0} {} {} 122.34801 0.31694 0.55350 ++ {0.0} {} 0.0 0.0578 0 {} 0
53 {} 8.16735 0.02371 0.03895 ++ {0.0} {} {49.HG13} 1.35494 0.06165 0.09797 ++ {0.0} {} {} 122.33279 0.29359 0.51244 ++ {0.0} {} 0.0 0.0576 0 {} 0
54 {} 8.16823 0.02605 0.05220 ++ {0.0} {} {49.HG21} 1.04646 0.05794 0.10056 ++ {0.0} {} {} 122.33723 0.31008 0.58905 ++ {0.0} {} 0.0 0.1462 0 {} 0
55 {} 8.17066 0.02265 0.03963 ++ {0.0} {} {49.HD11} 0.90491 0.05572 0.09037 ++ {0.0} {} {} 122.33109 0.32974 0.59041 ++ {0.0} {} 0.0 0.0700 0 {} 0
56 {} 8.32453 0.02053 0.06223 ++ {0.0} {} {52.HG3} 2.51554 0.09865 0.16902 ++ {0.0} {} {} 118.00188 0.30201 0.59217 ++ {0.0} {} 0.0 0.3738 0 {} 0
57 {} 8.32412 0.01828 0.04728 ++ {0.0} {} {52.HA} 4.01252 0.06487 0.12305 ++ {0.0} {} {} 118.00705 0.30130 0.57727 ++ {0.0} {} 0.0 0.1745 0 {} 0
58 {} 8.16690 0.02526 0.05692 ++ {0.0} {} {53.HB3} 2.44860 0.05744 0.11330 ++ {0.0} {} {} 123.01516 0.30552 0.59473 ++ {0.0} {} 0.0 0.2748 0 {} 0
59 {} 8.16716 0.02350 0.05605 ++ {0.0} {} {53.HB2} 2.64220 0.06933 0.12810 ++ {0.0} {} {} 123.01347 0.29698 0.57887 ++ {0.0} {} 0.0 0.2885 0 {} 0
60 {} 8.16520 0.01912 0.04211 ++ {0.0} {} {53.HA} 4.32797 0.06194 0.11149 ++ {0.0} {} {} 123.00916 0.29438 0.55214 ++ {0.0} {} 0.0 0.1179 0 {} 0
61 {} 7.89545 0.02539 0.05352 ++ {0.0} {} {} 0.96289 0.08602 0.12922 ++ {0.0} {} {} 119.71819 0.32350 0.61005 ++ {0.0} {} 0.0 0.1284 0 {} 0
62 {} 7.90286 0.02908 0.07702 ++ {0.0} {} {20.HD3} 1.73688 0.06689 0.12419 ++ {0.0} {} {} 119.89616 0.33184 0.64455 ++ {0.0} {} 0.0 0.2544 0 {} 0
63 {} 7.89315 0.01965 0.03406 ++ {0.0} {} {58.HA} 4.27938 0.06041 0.10816 ++ {0.0} {} {} 119.73125 0.30352 0.55236 ++ {0.0} {} 0.0 0.0814 0 {} 0
64 {} 8.09874 0.02435 0.05104 ++ {0.0} {} {59.HG3} 1.50055 0.10141 0.16963 ++ {0.0} {} {} 121.00819 0.30329 0.57471 ++ {0.0} {} 0.0 0.1396 0 {} 0
65 {} 8.09794 0.02392 0.05531 ++ {0.0} {} {59.HD3} 1.74699 0.05495 0.10939 ++ {0.0} {} {} 121.00656 0.29359 0.57212 ++ {0.0} {} 0.0 0.2859 0 {} 0
66 {} 8.09714 0.02131 0.05163 ++ {0.0} {} {59.HB3} 1.90305 0.10501 0.15932 ++ {0.0} {} {} 121.00925 0.28678 0.54782 ++ {0.0} {} 0.0 0.1634 0 {} 0
67 {} 8.09863 0.02193 0.04463 ++ {0.0} {} {59.HE3} 3.05710 0.05905 0.10682 ++ {0.0} {} {} 121.00782 0.30000 0.56385 ++ {0.0} {} 0.0 0.1217 0 {} 0
68 {} 8.09886 0.02102 0.05279 ++ {0.0} {} {59.HA} 4.25693 0.05309 0.11024 ++ {0.0} {} {} 121.00738 0.30199 0.57780 ++ {0.0} {} 0.0 0.1691 0 {} 0
69 {} 8.25383 0.02530 0.05381 ++ {0.0} {} {60.HG3} 1.48634 0.07432 0.13467 ++ {0.0} {} {} 122.00372 0.29939 0.58432 ++ {0.0} {} 0.0 0.3036 0 {} 0
70 {} 8.25369 0.02577 0.05518 ++ {0.0} {} {60.HD3} 1.72156 0.06348 0.12516 ++ {0.0} {} {} 122.00558 0.30110 0.59214 ++ {0.0} {} 0.0 0.4389 0 {} 0
71 {} 8.25362 0.02515 0.05026 ++ {0.0} {} {60.HB3} 1.90168 0.07900 0.11286 ++ {0.0} {} {} 122.01039 0.30422 0.58299 ++ {0.0} {} 0.0 0.1753 0 {} 0
72 {} 8.25471 0.02618 0.04932 ++ {0.0} {} {60.HE3} 3.03584 0.05779 0.10600 ++ {0.0} {} {} 122.00783 0.30123 0.57702 ++ {0.0} {} 0.0 0.1736 0 {} 0
73 {} 8.25361 0.02543 0.05426 ++ {0.0} {} {60.HA} 4.33346 0.05529 0.12037 ++ {0.0} {} {} 122.00591 0.29195 0.56707 ++ {0.0} {} 0.0 0.2542 0 {} 0
74 {} 7.79695 0.02587 0.05379 ++ {0.0} {} {61.HG3} 2.29041 0.07900 0.11286 ++ {0.0} {} {} 128.34190 0.32442 0.64109 ++ {0.0} {} 0.0 0.6142 0 {} 0
75 {} 7.79691 0.02480 0.04973 ++ {0.0} {} {61.HA} 4.34944 0.06067 0.11354 ++ {0.0} {} {} 128.34135 0.31703 0.62544 ++ {0.0} {} 0.0 0.5389 0 {} 0
76 {} 7.49927 0.01554 0.02447 ++ {0.0} {} {55.HB3} 1.36673 0.05868 0.08938 ++ {0.0} {} {} 117.99521 0.27563 0.41762 ++ {0.0} {} 0.0 0.0302 0 {} 0
77 {} 7.49993 0.01669 0.02209 ++ {0.0} {} {55.HG3} 1.82734 0.06120 0.08907 ++ {0.0} {} {} 118.03896 0.34807 0.52849 ++ {0.0} {} 0.0 0.0304 0 {} 0
78 {} 7.50061 0.02010 0.03182 ++ {0.0} {} {55.HG2} 2.14332 0.08072 0.11586 ++ {0.0} {} {} 118.01069 0.29834 0.47106 ++ {0.0} {} 0.0 0.0348 0 {} 0
79 {} 7.50452 0.01532 0.02922 ++ {0.0} {} {} 2.32575 0.04871 0.08047 ++ {0.0} {} {} 118.00102 0.27934 0.45838 ++ {0.0} {} 0.0 0.0408 0 {} 0
80 {} 7.50230 0.01792 0.02848 ++ {0.0} {} {} 2.64493 0.07948 0.10952 ++ {0.0} {} {} 118.00504 0.34546 0.57063 ++ {0.0} {} 0.0 0.0421 0 {} 0
81 {} 7.50021 0.02128 0.03199 ++ {0.0} {} {} 2.93548 0.06316 0.09683 ++ {0.0} {} {} 118.00799 0.29149 0.48008 ++ {0.0} {} 0.0 0.0415 0 {} 0
82 {} 7.49918 0.02473 0.04993 ++ {0.0} {} {55.HA} 3.94509 0.05649 0.10013 ++ {0.0} {} {} 118.00727 0.33346 0.60302 ++ {0.0} {} 0.0 0.0765 0 {} 0
83 {} 8.28282 0.02801 0.06616 ++ {0.0} {} {41.HB3} 3.21648 0.11834 0.17896 ++ {0.0} {} {} 120.00421 0.29100 0.56775 ++ {0.0} {} 0.0 0.2993 0 {} 0
84 {} 8.37485 0.02289 0.05957 ++ {0.0} {} {36.HA} 3.90711 0.05264 0.11060 ++ {0.0} {} {} 124.34231 0.30029 0.57584 ++ {0.0} {} 0.0 0.1780 0 {} 0
85 {} 8.37578 0.01599 0.02929 ++ {0.0} {} {36.HB} 1.78135 0.07799 0.13305 ++ {0.0} {} {} 124.33767 0.29616 0.53827 ++ {0.0} {} 0.0 0.0804 0 {} 0
86 {} 8.37363 0.01922 0.03868 ++ {0.0} {} {36.HG13} 1.16592 0.07157 0.11341 ++ {0.0} {} {} 124.32322 0.29465 0.50952 ++ {0.0} {} 0.0 0.0542 0 {} 0
87 {} 8.37354 0.02278 0.05459 ++ {0.0} {} {36.HG21} 0.90060 0.05850 0.10514 ++ {0.0} {} {} 124.34402 0.29696 0.57136 ++ {0.0} {} 0.0 0.1931 0 {} 0
88 {} 8.37566 0.02645 0.03860 ++ {0.0} {} {36.HD11} 0.78111 0.05664 0.08015 ++ {0.0} {} {} 124.34267 0.30190 0.52558 ++ {0.0} {} 0.0 0.0566 0 {} 0
89 {} 7.71178 0.02590 0.04770 ++ {0.0} {} {31.HD3} 3.21844 0.06821 0.12514 ++ {0.0} {} {} 119.22289 0.32678 0.60909 ++ {0.0} {} 0.0 0.1077 0 {} 0
90 {} 7.71211 0.02232 0.05065 ++ {0.0} {} {31.HA} 3.95833 0.07120 0.11283 ++ {0.0} {} {} 119.21826 0.32731 0.57384 ++ {0.0} {} 0.0 0.0594 0 {} 0
91 {} 8.33786 0.02300 0.04122 ++ {0.0} {} {30.HA} 3.85477 0.06554 0.11294 ++ {0.0} {} {} 115.99394 0.28535 0.53514 ++ {0.0} {} 0.0 0.1177 0 {} 0
92 {} 8.34752 0.02469 0.05819 ++ {0.0} {} {24.HB3} 3.28538 0.10782 0.18638 ++ {0.0} {} {} 116.66380 0.29306 0.57805 ++ {0.0} {} 0.0 0.5325 -1 {} 0
93 {} 7.65094 0.03233 0.05394 ++ {0.0} {} {28.HA} 4.71072 0.05527 0.08800 ++ {0.0} {} {} 111.74860 0.32503 0.55525 ++ {0.0} {} 0.0 0.0503 0 {} 0
94 {} 7.78423 0.02245 0.05256 ++ {0.0} {} {19.HA} 4.25573 0.06043 0.12168 ++ {0.0} {} {} 120.34882 0.30753 0.58662 ++ {0.0} {} 0.0 0.1586 0 {} 0
95 {} 8.19474 0.02038 0.04320 ++ {0.0} {} {17.HA} 3.89095 0.06349 0.11604 ++ {0.0} {} {} 123.36707 0.32971 0.62505 ++ {0.0} {} 0.0 0.1406 0 {} 0
96 {} 8.53515 0.02567 0.04337 ++ {0.0} {} {14.HA} 3.57098 0.06745 0.11576 ++ {0.0} {} {} 113.57440 0.33202 0.61719 ++ {0.0} {} 0.0 0.1040 0 {} 0
97 {} 8.53685 0.02630 0.04154 ++ {0.0} {} {14.HG2} 2.79193 0.06428 0.11098 ++ {0.0} {} {} 113.58414 0.31989 0.57055 ++ {0.0} {} 0.0 0.0678 0 {} 0
98 {} 8.53550 0.01605 0.04167 ++ {0.0} {} {14.HG3} 2.45707 0.06530 0.11662 ++ {0.0} {} {} 113.60070 0.30092 0.54359 ++ {0.0} {} 0.0 0.0758 0 {} 0
99 {} 8.18372 0.03116 0.09509 ++ {0.0} {} {8.HA} 4.40968 0.06347 0.11404 ++ {0.0} {} {} 117.33049 0.30837 0.57457 ++ {0.0} {} 0.0 0.1072 0 {} 0
100 {} 8.42409 0.02716 0.05707 ++ {0.0} {} {12.HD3} 3.30633 0.09138 0.15422 ++ {0.0} {} {} 118.01406 0.32249 0.60527 ++ {0.0} {} 0.0 0.1395 0 {} 0
101 {} 8.42492 0.02531 0.04013 ++ {0.0} {} {12.HB3} 1.99561 0.10414 0.16089 ++ {0.0} {} {} 117.99695 0.36250 0.62235 ++ {0.0} {} 0.0 0.0607 0 {} 0
102 {} 8.42361 0.02609 0.06101 ++ {0.0} {} {12.HG3} 1.72735 0.08041 0.12742 ++ {0.0} {} {} 118.01523 0.32528 0.59392 ++ {0.0} {} 0.0 0.0987 0 {} 0
103 {} 7.77193 0.02450 0.06260 ++ {0.0} {} {13.HB2} 3.37656 0.06597 0.13097 ++ {0.0} {} {} 115.99527 0.30554 0.59399 ++ {0.0} {} 0.0 0.3070 0 {} 0
104 {} 7.77211 0.02331 0.06360 ++ {0.0} {} {13.HB3} 2.91001 0.07243 0.13822 ++ {0.0} {} {} 115.99732 0.29703 0.57614 ++ {0.0} {} 0.0 0.2848 0 {} 0
105 {} 7.50041 0.02599 0.04245 ++ {0.0} {} {57.HA} 4.11690 0.06555 0.09982 ++ {0.0} {} {} 119.71815 0.31634 0.52041 ++ {0.0} {} 0.0 0.1009 0 {} 0
106 {} 7.49977 0.02628 0.03923 ++ {0.0} {} {57.HE3} 2.85157 0.06559 0.09740 ++ {0.0} {} {} 119.68965 0.33349 0.53741 ++ {0.0} {} 0.0 0.0922 0 {} 0
107 {} 7.50079 0.02790 0.04305 ++ {0.0} {} {57.HB2} 1.82156 0.06728 0.09754 ++ {0.0} {} {} 119.69719 0.30859 0.48682 ++ {0.0} {} 0.0 0.0848 0 {} 0
108 {} 7.50069 0.02134 0.03279 ++ {0.0} {} {57.HB3} 1.65342 0.05954 0.08405 ++ {0.0} {} {} 119.69244 0.31211 0.47425 ++ {0.0} {} 0.0 0.0745 0 {} 0
109 {} 7.97349 0.02297 0.04020 ++ {0.0} {} {} 3.41488 0.05484 0.09003 ++ {0.0} {} {} 117.65738 0.29535 0.51701 ++ {0.0} {} 0.0 0.1148 0 {} 0
110 {} 7.97154 0.02423 0.02851 ++ {0.0} {} {} 0.70973 0.08276 0.09696 ++ {0.0} {} {} 117.65732 0.31038 0.38123 ++ {0.0} {} 0.0 0.0371 0 {} 0
111 {} 9.01425 0.02218 0.03393 ++ {0.0} {} {50.HB3} 3.31697 0.07346 0.11029 ++ {0.0} {} {} 119.07274 0.35206 0.56988 ++ {0.0} {} 0.0 0.0751 0 {} 0
112 {} 9.01408 0.02584 0.04435 ++ {0.0} {} {50.HB2} 3.51186 0.06257 0.08831 ++ {0.0} {} {} 119.06551 0.29480 0.46021 ++ {0.0} {} 0.0 0.0653 0 {} 0
113 {} 8.42111 0.03349 0.04982 ++ {0.0} {} {27.HB3} 2.74718 0.07236 0.11612 ++ {0.0} {} {} 121.69546 0.32764 0.58345 ++ {0.0} {} 0.0 0.1307 0 {} 0
114 {} 8.41786 0.02975 0.05078 ++ {0.0} {} {27.HB2} 3.00462 0.05817 0.10018 ++ {0.0} {} {} 121.69391 0.33057 0.59131 ++ {0.0} {} 0.0 0.1356 0 {} 0
115 {} 7.99628 0.03256 0.05151 ++ {0.0} {} {26.HB3} 2.72949 0.07392 0.11612 ++ {0.0} {} {} 114.97337 0.31288 0.54832 ++ {0.0} {} 0.0 0.1157 0 {} 0
116 {} 7.99560 0.02611 0.04630 ++ {0.0} {} {26.HB2} 3.00672 0.07235 0.11738 ++ {0.0} {} {} 114.96981 0.31697 0.55148 ++ {0.0} {} 0.0 0.1101 0 {} 0
117 {} 7.63543 0.02765 0.05814 ++ {0.0} {} {23.HB3} 3.23749 0.06762 0.12143 ++ {0.0} {} {} 117.35445 0.33717 0.64944 ++ {0.0} {} 0.0 0.3879 0 {} 0
118 {} 9.19891 0.02968 0.04882 ++ {0.0} {} {10.HB3} 2.77102 0.07830 0.12356 ++ {0.0} {} {} 114.57677 0.32893 0.58359 ++ {0.0} {} 0.0 0.1268 0 {} 0
119 {} 9.20126 0.02967 0.05345 ++ {0.0} {} {10.HB2} 3.12817 0.06837 0.11145 ++ {0.0} {} {} 114.56891 0.31842 0.56235 ++ {0.0} {} 0.0 0.1225 0 {} 0
120 {} 8.18482 0.03915 0.09031 ++ {0.0} {} {8.HG3} 2.36790 0.07985 0.12977 ++ {0.0} {} {} 117.33211 0.30509 0.55866 ++ {0.0} {} 0.0 0.1696 0 {} 0
121 {} 8.56844 0.03134 0.06044 ++ {0.0} {} {7.HD3} 3.23572 0.06213 0.09371 ++ {0.0} {} {} 122.54292 0.31772 0.54179 ++ {0.0} {} 0.0 0.0972 0 {} 0
122 {} 8.56971 0.03737 0.04291 ++ {0.0} {} {7.HA} 4.38553 0.06081 0.07183 ++ {0.0} {} {} 122.58635 0.30586 0.38724 ++ {0.0} {} 0.0 0.0390 0 {} 0
123 {} 8.57117 0.03374 0.05895 ++ {0.0} {} {7.HG3} 1.66357 0.06376 0.10423 ++ {0.0} {} {} 122.53302 0.33403 0.53886 ++ {0.0} {} 0.0 0.0740 0 {} 0
124 {} 8.47464 0.02970 0.05502 ++ {0.0} {} {5.HD3} 3.25172 0.05271 0.08256 ++ {0.0} {} {} 110.44846 0.33600 0.55847 ++ {0.0} {} 0.0 0.0848 0 {} 0
125 {} 8.47097 0.03433 0.05737 ++ {0.0} {} {5.HG3} 1.69645 0.07754 0.11164 ++ {0.0} {} {} 110.41022 0.35150 0.54848 ++ {0.0} {} 0.0 0.0652 0 {} 0
126 {} 8.47628 0.01982 0.02566 ++ {0.0} {} {5.HA} 4.39817 0.05339 0.06317 ++ {0.0} {} {} 110.57400 0.30069 0.37121 ++ {0.0} {} 0.0 0.0374 0 {} 0
127 {} 8.50723 0.03506 0.04446 ++ {0.0} {} {4.HA} 4.38065 0.05605 0.07288 ++ {0.0} {} {} 123.40116 0.50453 0.68249 ++ {0.0} {} 0.0 0.0443 0 {} 0
128 {} 8.50588 0.03553 0.06299 ++ {0.0} {} {4.HD3} 3.24125 0.05937 0.09363 ++ {0.0} {} {} 123.41758 0.51679 1.07948 ++ {0.0} {} 0.0 0.1286 0 {} 0
129 {} 8.50455 0.02752 0.03076 ++ {0.0} {} {4.HG3} 1.86076 0.08128 0.08808 ++ {0.0} {} {} 123.41673 0.52422 0.59591 ++ {0.0} {} 0.0 0.0332 0 {} 0
130 {} 8.50495 0.03145 0.06046 ++ {0.0} {} {4.HG2} 1.67548 0.08135 0.12638 ++ {0.0} {} {} 123.41904 0.46553 0.88830 ++ {0.0} {} 0.0 0.0975 0 {} 0
131 {} 8.61210 0.04080 0.04934 ++ {0.0} {} {3.HG3} 1.70797 0.05770 0.08147 ++ {0.0} {} {} 123.70573 0.31735 0.44029 ++ {0.0} {} 0.0 0.0374 0 {} 0
132 {} 8.61561 0.02693 0.04807 ++ {0.0} {} {3.HD3} 3.25072 0.04803 0.07884 ++ {0.0} {} {} 123.68880 0.28669 0.46643 ++ {0.0} {} 0.0 0.0614 0 {} 0
133 {} 7.74295 0.02541 0.06781 ++ {0.0} {} {} 0.91919 0.06420 0.11441 ++ {0.0} {} {} 118.98335 0.31964 0.61091 ++ {0.0} {} 0.0 0.2583 0 {} 0
134 {} 7.74369 0.02708 0.04947 ++ {0.0} {} {} 1.51203 0.07133 0.12607 ++ {0.0} {} {} 118.98247 0.31929 0.58750 ++ {0.0} {} 0.0 0.1432 0 {} 0
135 {} 8.19349 0.02387 0.04457 ++ {0.0} {} {17.HG3} 1.59789 0.07066 0.12992 ++ {0.0} {} {} 123.36623 0.30809 0.55202 ++ {0.0} {} 0.0 0.1100 0 {} 0
136 {} 8.19626 0.02510 0.05173 ++ {0.0} {} {17.HG2} 1.71411 0.07551 0.13307 ++ {0.0} {} {} 123.36405 0.34530 0.61235 ++ {0.0} {} 0.0 0.1011 0 {} 0
137 {} 8.19373 0.02437 0.05247 ++ {0.0} {} {18.HB3} 0.49751 0.06134 0.12049 ++ {0.0} {} {} 119.00681 0.30323 0.56060 ++ {0.0} {} 0.0 0.1515 0 {} 0
138 {} 8.19397 0.02423 0.03841 ++ {0.0} {} {18.HA} 3.59171 0.06786 0.11369 ++ {0.0} {} {} 119.01237 0.29699 0.50793 ++ {0.0} {} 0.0 0.0791 0 {} 0
139 {} 7.50110 0.02537 0.04830 ++ {0.0} {} {} 1.49520 0.07254 0.12929 ++ {0.0} {} {} 119.69092 0.32452 0.60995 ++ {0.0} {} 0.0 0.1902 0 {} 0
140 {} 7.50256 0.01922 0.04144 ++ {0.0} {} {57.HG3} 1.32954 0.06915 0.11484 ++ {0.0} {} {} 119.69405 0.30258 0.53139 ++ {0.0} {} 0.0 0.0940 0 {} 0
141 {} 8.23311 0.02235 0.04462 ++ {0.0} {} {51.HB3} 3.32982 0.06275 0.12743 ++ {0.0} {} {} 118.99886 0.28955 0.54831 ++ {0.0} {} 0.0 0.2156 0 {} 0
142 {} 8.23355 0.02382 0.05276 ++ {0.0} {} {51.HB2} 3.58581 0.07117 0.12946 ++ {0.0} {} {} 119.00042 0.29316 0.55839 ++ {0.0} {} 0.0 0.2405 0 {} 0
143 {} 8.03306 0.02370 0.04966 ++ {0.0} {} {46.HG3} 2.50249 0.07185 0.11986 ++ {0.0} {} {} 120.61339 0.31203 0.53977 ++ {0.0} {} 0.0 0.0848 0 {} 0
144 {} 8.03082 0.02316 0.03515 ++ {0.0} {} {46.HG2} 2.62114 0.07166 0.12502 ++ {0.0} {} {} 120.63618 0.32871 0.56321 ++ {0.0} {} 0.0 0.0799 0 {} 0
145 {} 8.18963 0.02276 0.05701 ++ {0.0} {} {38.HB3} 3.35749 0.07132 0.14378 ++ {0.0} {} {} 121.67400 0.29185 0.57248 ++ {0.0} {} 0.0 0.5964 0 {} 0
146 {} 8.48496 0.02166 0.04734 ++ {0.0} {} {32.HA} 4.17662 0.06107 0.11069 ++ {0.0} {} {} 119.34259 0.30068 0.54731 ++ {0.0} {} 0.0 0.1275 0 {} 0
147 {} 8.48253 0.01719 0.02634 ++ {0.0} {} {32.HD2} 3.59398 0.06654 0.09606 ++ {0.0} {} {} 119.35023 0.26249 0.40819 ++ {0.0} {} 0.0 0.0515 0 {} 0
148 {} 8.48409 0.01835 0.03687 ++ {0.0} {} {32.HD3} 3.11025 0.05734 0.08619 ++ {0.0} {} {} 119.34399 0.29284 0.46741 ++ {0.0} {} 0.0 0.0567 0 {} 0
149 {} 8.48312 0.02169 0.03854 ++ {0.0} {} {32.HB3} 1.93011 0.08982 0.15918 ++ {0.0} {} {} 119.34561 0.29061 0.51690 ++ {0.0} {} 0.0 0.1035 0 {} 0
150 {} 8.48477 0.02061 0.03263 ++ {0.0} {} {32.HG2} 1.82577 0.07560 0.10800 ++ {0.0} {} {} 119.33788 0.30227 0.46243 ++ {0.0} {} 0.0 0.0487 0 {} 0
151 {} 8.48526 0.02063 0.03132 ++ {0.0} {} {32.HG3} 1.59920 0.07199 0.10837 ++ {0.0} {} {} 119.34084 0.30867 0.52093 ++ {0.0} {} 0.0 0.0734 0 {} 0
152 {} 7.74219 0.02803 0.05540 ++ {0.0} {} {} 1.91448 0.05873 0.14442 ++ {0.0} {} {} 118.98238 0.30324 0.55710 ++ {0.0} {} 0.0 0.1407 -1 {} 0
153 {} 7.71303 0.03440 0.04655 ++ {0.0} {} {31.HG3} 1.59046 0.05675 0.08236 ++ {0.0} {} {} 119.17357 0.28631 0.43897 ++ {0.0} {} 0.0 0.0491 0 {} 0
154 {} 7.71421 0.02109 0.04225 ++ {0.0} {} {31.HB3} 1.71554 0.06117 0.10686 ++ {0.0} {} {} 119.25627 0.31448 0.54787 ++ {0.0} {} 0.0 0.0889 0 {} 0
155 {} 7.74219 0.02803 0.05540 ++ {0.0} {} {} 1.91448 0.05873 0.14442 ++ {0.0} {} {} 118.98238 0.30324 0.55710 ++ {0.0} {} 0.0 0.1407 -1 {} 0
156 {} 8.34752 0.02469 0.05576 ++ {0.0} {} {} 3.28538 0.10782 0.18351 ++ {0.0} {} {} 116.66380 0.29306 0.57351 ++ {0.0} {} 0.0 0.5325 -1 {} 0
157 {} 8.33792 0.02170 0.03857 ++ {0.0} {} {30.HG3} 1.71203 0.07625 0.12517 ++ {0.0} {} {} 115.98737 0.28381 0.51847 ++ {0.0} {} 0.0 0.1323 0 {} 0
158 {} 8.33740 0.02371 0.03533 ++ {0.0} {} {30.HB3} 1.90879 0.10512 0.14543 ++ {0.0} {} {} 115.99017 0.30551 0.50807 ++ {0.0} {} 0.0 0.0680 0 {} 0
159 {} 8.34752 0.02469 0.05576 ++ {0.0} {} {} 3.28538 0.10782 0.18351 ++ {0.0} {} {} 116.66380 0.29306 0.57351 ++ {0.0} {} 0.0 0.5325 -1 {} 0
160 {} 7.78501 0.02242 0.04445 ++ {0.0} {} {19.HG2} 2.56288 0.06583 0.11529 ++ {0.0} {} {} 120.34145 0.30392 0.55842 ++ {0.0} {} 0.0 0.1410 0 {} 0
161 {} 7.78429 0.02404 0.05007 ++ {0.0} {} {19.HG3} 2.40943 0.06077 0.11062 ++ {0.0} {} {} 120.34325 0.29767 0.54613 ++ {0.0} {} 0.0 0.1386 0 {} 0
162 {} 8.30311 0.03523 0.11375 ++ {0.0} {} {6.HA3} 3.98429 0.07581 0.10831 ++ {0.0} {} {} 120.72753 0.33115 0.62969 ++ {0.0} {} 0.0 0.2327 0 {} 0
163 {} 8.47670 0.01909 0.02728 ++ {0.0} {} {5.HB3} 1.89876 0.06265 0.07684 ++ {0.0} {} {} 110.40157 0.27282 0.33976 ++ {0.0} {} 0.0 0.0243 0 {} 0
164 {} 8.57439 0.01970 0.02814 ++ {0.0} {} {7.HB3} 1.86227 0.08867 0.10898 ++ {0.0} {} {} 122.43368 0.23372 0.30076 ++ {0.0} {} 0.0 0.0257 0 {} 0
165 {} 8.62021 0.01368 0.01599 ++ {0.0} {} {3.HB2} 1.84358 0.04568 0.05234 ++ {0.0} {} {} 123.95315 0.25354 0.30288 ++ {0.0} {} 0.0 0.0228 0 {} 0
166 {} 8.60317 0.01660 0.02069 ++ {0.0} {} {3.HA} 4.40897 0.05633 0.06532 ++ {0.0} {} {} 123.69891 0.28133 0.34919 ++ {0.0} {} 0.0 0.0242 0 {} 0
167 {} 9.19812 0.02041 0.02621 ++ {0.0} {} {10.HA} 4.97831 0.05422 0.06337 ++ {0.0} {} {} 114.59500 0.30686 0.38962 ++ {0.0} {} 0.0 0.0251 0 {} 0
168 {} 8.19655 0.02144 0.02799 ++ {0.0} {} {18.HG} 1.13872 0.06739 0.09151 ++ {0.0} {} {} 119.01170 0.43600 0.61739 ++ {0.0} {} 0.0 0.0314 0 {} 0
169 {} 7.90658 0.02309 0.04498 ++ {0.0} {} {20.HG3} 1.43397 0.07065 0.11601 ++ {0.0} {} {} 119.98885 0.29860 0.54307 ++ {0.0} {} 0.0 0.1011 0 {} 0
170 {} 7.90688 0.02508 0.05325 ++ {0.0} {} {20.HB3} 1.95829 0.06184 0.12045 ++ {0.0} {} {} 120.00398 0.29163 0.55612 ++ {0.0} {} 0.0 0.1970 0 {} 0
171 {} 7.90474 0.02140 0.03692 ++ {0.0} {} {20.HE3} 2.94004 0.06658 0.11147 ++ {0.0} {} {} 119.99522 0.31142 0.53247 ++ {0.0} {} 0.0 0.0632 0 {} 0
172 {} 7.90800 0.02061 0.04906 ++ {0.0} {} {20.HA} 4.04026 0.06595 0.11491 ++ {0.0} {} {} 119.99895 0.29417 0.54338 ++ {0.0} {} 0.0 0.1200 0 {} 0
173 {} 7.90669 0.01971 0.03252 ++ {0.0} {} {20.HG2} 1.63420 0.07238 0.10340 ++ {0.0} {} {} 120.01250 0.29091 0.51438 ++ {0.0} {} 0.0 0.0791 0 {} 0
174 {} 8.42117 0.01896 0.03014 ++ {0.0} {} {27.HA} 4.74814 0.09093 0.11156 ++ {0.0} {} {} 121.72757 0.25207 0.33570 ++ {0.0} {} 0.0 0.0274 0 {} 0
175 {} 7.65415 0.03213 0.04628 ++ {0.0} {} {28.HD11} 0.24651 0.06233 0.09137 ++ {0.0} {} {} 111.73218 0.36841 0.58656 ++ {0.0} {} 0.0 0.0449 0 {} 0
176 {} 7.65272 0.02253 0.04493 ++ {0.0} {} {28.HD21} 0.58686 0.06002 0.08788 ++ {0.0} {} {} 111.74828 0.30794 0.51223 ++ {0.0} {} 0.0 0.0545 0 {} 0
177 {} 7.65114 0.03061 0.04392 ++ {0.0} {} {28.HB3} 1.27756 0.06654 0.10612 ++ {0.0} {} {} 111.77890 0.33443 0.53859 ++ {0.0} {} 0.0 0.0471 0 {} 0
178 {} 7.65054 0.02483 0.04963 ++ {0.0} {} {28.HB2} 1.54977 0.06821 0.11203 ++ {0.0} {} {} 111.72577 0.37183 0.61561 ++ {0.0} {} 0.0 0.0532 0 {} 0
179 {} 8.34752 0.02469 0.05705 ++ {0.0} {} {} 3.28538 0.10782 0.18510 ++ {0.0} {} {} 116.66380 0.29306 0.57603 ++ {0.0} {} 0.0 0.5325 -1 {} 0
180 {} 8.34752 0.02469 0.05705 ++ {0.0} {} {} 3.28538 0.10782 0.18510 ++ {0.0} {} {} 116.66380 0.29306 0.57603 ++ {0.0} {} 0.0 0.5325 0 {} 0
181 {} 7.71050 0.02803 0.05540 ++ {0.0} {} {31.HB2} 1.91450 0.05873 0.14440 ++ {0.0} {} {} 118.98000 0.30320 0.55710 ++ {0.0} {} 0.0 0.1407 0 {} 0
182 {} 7.65042 0.01480 0.01663 ++ {0.0} {} {28.HG} 0.73125 0.06855 0.07461 ++ {0.0} {} {} 111.74061 0.23470 0.26884 ++ {0.0} {} 0.0 0.0137 0 {} 0
183 {} 7.74234 0.02849 0.06377 ++ {0.0} {} {16.HA} 3.99386 0.06326 0.10633 ++ {0.0} {} {} 118.98778 0.32216 0.57038 ++ {0.0} {} 0.0 0.0799 0 {} 0
184 {} 7.73878 0.02099 0.02808 ++ {0.0} {} {} 1.79800 0.07115 0.09803 ++ {0.0} {} {} 118.96716 0.27011 0.40199 ++ {0.0} {} 0.0 0.0358 0 {} 0
185 {} 8.02277 0.02723 0.04826 ++ {0.0} {} {} 0.73506 0.08032 0.14038 ++ {0.0} {} {} 117.34593 0.32462 0.60172 ++ {0.0} {} 0.0 0.1565 0 {} 0
186 {} 8.02312 0.02516 0.03871 ++ {0.0} {} {40.HA} 4.58077 0.05822 0.09491 ++ {0.0} {} {} 117.34133 0.34856 0.60634 ++ {0.0} {} 0.0 0.0880 0 {} 0
187 {} 8.02252 0.02061 0.03908 ++ {0.0} {} {} 1.56126 0.06629 0.11358 ++ {0.0} {} {} 117.35006 0.30650 0.53483 ++ {0.0} {} 0.0 0.0898 0 {} 0
188 {} 8.02119 0.02956 0.05534 ++ {0.0} {} {} 1.74666 0.10329 0.17881 ++ {0.0} {} {} 117.33129 0.30056 0.55811 ++ {0.0} {} 0.0 0.1601 0 {} 0
189 {} 7.97033 0.01120 0.01592 ++ {0.0} {} {} 1.95510 0.05262 0.06972 ++ {0.0} {} {} 117.66061 0.29754 0.40235 ++ {0.0} {} 0.0 0.0283 0 {} 0
190 {} 7.97789 0.02310 0.02928 ++ {0.0} {} {} 2.36394 0.05382 0.07468 ++ {0.0} {} {} 117.63124 0.30442 0.42161 ++ {0.0} {} 0.0 0.0298 0 {} 0
191 {} 8.00406 0.02823 0.05017 ++ {0.0} {} {45.HB2} 1.82565 0.06817 0.10666 ++ {0.0} {} {} 117.33520 0.30532 0.53722 ++ {0.0} {} 0.0 0.0762 0 {} 0
192 {} 7.97924 0.02465 0.03890 ++ {0.0} {} {33.HA} 3.75198 0.06636 0.09706 ++ {0.0} {} {} 118.26803 0.33656 0.53436 ++ {0.0} {} 0.0 0.0445 0 {} 0
193 {} 7.97994 0.01926 0.02278 ++ {0.0} {} {33.HD3} 3.35326 0.07399 0.08626 ++ {0.0} {} {} 118.11095 0.31007 0.39015 ++ {0.0} {} 0.0 0.0247 0 {} 0
194 {} 7.97349 0.02299 0.04821 ++ {0.0} {} {} 3.41488 0.05484 0.09856 ++ {0.0} {} {} 117.65738 0.29535 0.54354 ++ {0.0} {} 0.0 0.1148 0 {} 0
195 {} 7.98721 0.01579 0.02053 ++ {0.0} {} {} 2.06671 0.06878 0.08478 ++ {0.0} {} {} 118.25050 0.30979 0.42204 ++ {0.0} {} 0.0 0.0287 0 {} 0
196 {} 7.97033 0.01120 0.01592 ++ {0.0} {} {} 1.95510 0.05262 0.06972 ++ {0.0} {} {} 117.66061 0.29754 0.40235 ++ {0.0} {} 0.0 0.0283 0 {} 0
197 {} 8.00533 0.02956 0.05780 ++ {0.0} {} {} 1.72005 0.10329 0.18290 ++ {0.0} {} {} 117.33129 0.30056 0.56672 ++ {0.0} {} 0.0 0.1601 0 {} 0
198 {} 7.98287 0.02293 0.03551 ++ {0.0} {} {} 1.64393 0.07724 0.11120 ++ {0.0} {} {} 118.28136 0.32488 0.52483 ++ {0.0} {} 0.0 0.0477 0 {} 0
199 {} 7.98346 0.01926 0.02278 ++ {0.0} {} {33.HD2} 3.54842 0.07399 0.08626 ++ {0.0} {} {} 118.11095 0.31007 0.39015 ++ {0.0} {} 0.0 0.0247 0 {} 0
200 {} 7.98287 0.02293 0.03551 ++ {0.0} {} {} 1.49313 0.07724 0.11120 ++ {0.0} {} {} 118.28136 0.32488 0.52483 ++ {0.0} {} 0.0 0.0477 0 {} 0
201 {} 7.98192 0.01579 0.02053 ++ {0.0} {} {} 1.92477 0.06878 0.08478 ++ {0.0} {} {} 118.25050 0.30979 0.42204 ++ {0.0} {} 0.0 0.0287 0 {} 0
202 {} 7.79291 0.02302 0.04857 ++ {0.0} {} {34.HA} 3.56673 0.06565 0.11781 ++ {0.0} {} {} 120.33884 0.29394 0.56263 ++ {0.0} {} 0.0 0.2134 0 {} 0
203 {} 7.79317 0.02232 0.03638 ++ {0.0} {} {34.HB} 1.90774 0.06568 0.10744 ++ {0.0} {} {} 120.33621 0.27881 0.49569 ++ {0.0} {} 0.0 0.0825 0 {} 0
204 {} 7.79303 0.02303 0.03748 ++ {0.0} {} {34.HG12} 1.76345 0.06507 0.10506 ++ {0.0} {} {} 120.35775 0.28904 0.49885 ++ {0.0} {} 0.0 0.0669 0 {} 0
205 {} 7.79282 0.02069 0.03423 ++ {0.0} {} {34.HG13} 1.08146 0.07285 0.11284 ++ {0.0} {} {} 120.34084 0.29525 0.50072 ++ {0.0} {} 0.0 0.0603 0 {} 0
206 {} 7.79268 0.02292 0.05029 ++ {0.0} {} {} 0.87008 0.05227 0.09918 ++ {0.0} {} {} 120.33901 0.29707 0.57205 ++ {0.0} {} 0.0 0.2464 0 {} 0
207 {} 8.19586 0.02435 0.04437 ++ {0.0} {} {18.HD21} -1.03213 0.07902 0.12819 ++ {0.0} {} {} 119.01453 0.30539 0.53931 ++ {0.0} {} 0.0 0.0783 0 {} 0
208 {} 8.19326 0.02586 0.04608 ++ {0.0} {} {18.HD11} -0.56573 0.05530 0.10116 ++ {0.0} {} {} 119.01055 0.31293 0.56550 ++ {0.0} {} 0.0 0.0950 0 {} 0
209 {} 8.00172 0.02242 0.04070 ++ {0.0} {} {45.HA} 4.05827 0.06482 0.10265 ++ {0.0} {} {} 117.33125 0.30808 0.52383 ++ {0.0} {} 0.0 0.1195 0 {} 0
210 {} 8.00177 0.02136 0.04904 ++ {0.0} {} {45.HD3} 3.29008 0.05740 0.11224 ++ {0.0} {} {} 117.33017 0.29989 0.55613 ++ {0.0} {} 0.0 0.2460 0 {} 0
211 {} 8.00406 0.02823 0.04257 ++ {0.0} {} {} 1.98927 0.06817 0.09367 ++ {0.0} {} {} 117.33520 0.30532 0.46724 ++ {0.0} {} 0.0 0.0762 0 {} 0
212 {} 7.50021 0.02128 0.02322 ++ {0.0} {} {} 2.93548 0.06316 0.06965 ++ {0.0} {} {} 118.00799 0.29149 0.33177 ++ {0.0} {} 0.0 0.0415 0 {} 0
213 {} 7.50230 0.01792 0.01968 ++ {0.0} {} {} 2.64493 0.07948 0.08633 ++ {0.0} {} {} 118.00504 0.34546 0.39725 ++ {0.0} {} 0.0 0.0421 0 {} 0
214 {} 7.50452 0.01532 0.01730 ++ {0.0} {} {55.HB2} 2.32575 0.04871 0.05482 ++ {0.0} {} {} 118.00102 0.27934 0.31379 ++ {0.0} {} 0.0 0.0408 0 {} 0
215 {} 7.50061 0.02010 0.01971 ++ {0.0} {} {} 2.14332 0.08072 0.07881 ++ {0.0} {} {} 118.01069 0.29834 0.29000 ++ {0.0} {} 0.0 0.0348 0 {} 0
216 {} 7.49993 0.01669 0.01486 ++ {0.0} {} {} 1.82734 0.06120 0.05174 ++ {0.0} {} {} 118.03896 0.34807 0.28685 ++ {0.0} {} 0.0 0.0304 0 {} 0
217 {} 7.49927 0.01554 0.01254 ++ {0.0} {} {} 1.36673 0.05868 0.04773 ++ {0.0} {} {} 117.99521 0.27563 0.22498 ++ {0.0} {} 0.0 0.0302 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 HN . 'not observed' 6300 Hz . . . 4.777 . . 31057 5
2 . . H 1 H . 'not observed' 6300 Hz . . . 4.777 . . 31057 5
3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 5
stop_
save_