Content for NMR-STAR saveframe, "spectral_peak_list_3"
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 34513
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_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 18
_Spectral_peak_list.Experiment_name '1H-13C NOESY-HSQC with 13C/15N filter in F1'
_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 N H
None
{1997.51 } {1501.50 } {9505.70 }
{949.9045 } { 96.2640 } {949.9045 }
HN.L HN.P HN.W HN.B N.L N.P N.W N.B H.L H.P H.W H.B vol int stat flag0
1 {128.HD22} 7.555 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HB2} 2.754 0.050 0.050 3351378.06250 129096.31250 1 0
2 {149.HN} 8.488 0.050 0.050 {149.N} 119.528 0.050 0.050 {149.HA} 3.946 0.050 0.050 1883929.81250 86025.50000 1 0
3 {149.HN} 8.489 0.050 0.050 {149.N} 119.562 0.050 0.050 {148.HB2} 2.206 0.050 0.050 1183978.93750 53843.12500 1 0
4 {149.HN} 8.488 0.050 0.050 {149.N} 119.535 0.050 0.050 {149.HB1} 1.863 0.050 0.050 3134127.37500 144537.75000 1 0
5 {149.HN} 8.492 0.050 0.050 {149.N} 119.533 0.050 0.050 {149.HB2} 1.484 0.050 0.050 1688304.75000 76587.56250 1 0
6 {149.HN} 8.488 0.050 0.050 {149.N} 119.528 0.050 0.050 {149.HD2#} 0.856 0.050 0.050 2278557.75000 103463.25000 1 0
7 {149.HN} 8.491 0.050 0.050 {149.N} 119.557 0.050 0.050 {149.HD1#} 0.725 0.050 0.050 2386745.81250 109153.81250 1 0
8 {149.HN} 8.492 0.050 0.050 {149.N} 119.558 0.050 0.050 {148.HN} 7.745 0.050 0.050 2111823.50000 94420.00000 1 0
9 {131.HN} 8.167 0.050 0.050 {131.N} 120.654 0.050 0.050 {131.HA} 3.613 0.050 0.050 1411007.43750 64667.06250 1 0
10 {131.HN} 8.165 0.050 0.050 {131.N} 120.677 0.050 0.050 {131.HB} 1.890 0.050 0.050 2262858.43750 98425.00000 1 0
11 {131.HN} 8.166 0.050 0.050 {131.N} 120.666 0.050 0.050 {131.HG2#} 0.780 0.050 0.050 2756253.50000 128836.06250 1 0
12 {134.HN} 7.467 0.050 0.050 {134.N} 116.655 0.050 0.050 {135.HB1} 1.929 0.050 0.050 1425505.56250 65611.68750 1 0
13 {134.HN} 7.470 0.050 0.050 {134.N} 116.620 0.050 0.050 {133.HB#} 1.408 0.050 0.050 1766262.87500 81068.81250 1 0
14 {134.HN} 7.469 0.050 0.050 {134.N} 116.675 0.050 0.050 {135.HN} 8.206 0.050 0.050 1403126.06250 63448.12500 1 0
15 {134.HN} 7.465 0.050 0.050 {134.N} 116.615 0.050 0.050 {133.HN} 7.829 0.050 0.050 1267551.87500 56413.87500 1 0
16 {146.HN} 8.422 0.050 0.050 {146.N} 120.291 0.050 0.050 {142.HA} 3.969 0.050 0.050 1164349.62500 59250.18750 1 0
17 {146.HN} 8.422 0.050 0.050 {146.N} 120.274 0.050 0.050 {146.HA} 3.826 0.050 0.050 1874508.62500 90939.00000 1 0
18 {146.HN} 8.419 0.050 0.050 {146.N} 120.239 0.050 0.050 {145.HB} 2.003 0.050 0.050 1432262.68750 66187.68750 1 0
19 {146.HN} 8.423 0.050 0.050 {146.N} 120.250 0.050 0.050 {146.HB1} 1.849 0.050 0.050 2716831.43750 124757.87500 1 0
20 {146.HN} 8.423 0.050 0.050 {146.N} 120.229 0.050 0.050 {146.HB2} 1.561 0.050 0.050 3244883.62500 124251.18750 1 0
21 {146.HN} 8.422 0.050 0.050 {146.N} 120.250 0.050 0.050 {146.HD#} 0.834 0.050 0.050 3381017.37500 156177.68750 1 0
22 {144.HN} 7.859 0.050 0.050 {144.N} 124.806 0.050 0.050 {144.HA} 4.038 0.050 0.050 4857536.25000 212229.68750 1 0
23 {144.HN} 7.860 0.050 0.050 {144.N} 124.812 0.050 0.050 {144.HG1} 2.373 0.050 0.050 1582396.06250 70921.31250 1 0
24 {144.HN} 7.860 0.050 0.050 {144.N} 124.795 0.050 0.050 {144.HB2} 2.173 0.050 0.050 8460482.00000 388066.18750 1 0
25 {144.HN} 7.861 0.050 0.050 {144.N} 124.801 0.050 0.050 {145.HN} 8.440 0.050 0.050 3035917.18750 144511.06250 1 0
26 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {147.HA2} 3.935 0.050 0.050 4525245.18750 174406.62500 1 0
27 {147.HN} 7.993 0.050 0.050 {147.N} 105.649 0.050 0.050 {146.HB1} 1.832 0.050 0.050 1238057.25000 58637.18750 1 0
28 {147.HN} 8.001 0.050 0.050 {147.N} 105.699 0.050 0.050 {146.HB2} 1.528 0.050 0.050 1401127.18750 63725.06250 1 0
29 {147.HN} 7.997 0.050 0.050 {147.N} 105.666 0.050 0.050 {146.HN} 8.397 0.050 0.050 2268788.81250 88170.25000 1 0
30 {155.HN} 7.729 0.050 0.050 {155.N} 122.138 0.050 0.050 {155.HA} 4.164 0.050 0.050 4546746.68750 206049.56250 1 0
31 {155.HN} 7.730 0.050 0.050 {155.N} 122.197 0.050 0.050 {154.HA} 3.713 0.050 0.050 1807455.62500 73577.93750 1 0
32 {155.HN} 7.729 0.050 0.050 {155.N} 122.167 0.050 0.050 {154.HB} 1.973 0.050 0.050 3094850.25000 146282.06250 1 0
33 {155.HN} 7.728 0.050 0.050 {155.N} 122.123 0.050 0.050 {155.HB#} 1.403 0.050 0.050 10959928.81250 514861.93750 1 0
34 {155.HN} 7.728 0.050 0.050 {155.N} 122.159 0.050 0.050 {154.HG1#} 0.818 0.050 0.050 3790346.50000 169507.62500 1 0
35 {153.HN} 8.507 0.050 0.050 {153.N} 120.613 0.050 0.050 {153.HA} 3.590 0.050 0.050 1691933.93750 72889.06250 1 0
36 {153.HN} 8.507 0.050 0.050 {153.N} 120.627 0.050 0.050 {153.HB} 2.141 0.050 0.050 3680346.12500 167299.75000 1 0
37 {139.HN} 8.499 0.050 0.050 {139.N} 120.494 0.050 0.050 {138.HD1#} 0.783 0.050 0.050 3839437.81250 170935.87500 1 0
38 {153.HN} 8.503 0.050 0.050 {153.N} 120.589 0.050 0.050 {149.HD1#} 0.750 0.050 0.050 3426871.62500 149828.56250 1 0
39 {163.HN} 7.825 0.050 0.050 {163.N} 125.450 0.050 0.050 {162.HA} 4.277 0.050 0.050 5184759.62500 274661.87500 1 0
40 {163.HN} 7.825 0.050 0.050 {163.N} 125.549 0.050 0.050 {163.HA} 4.114 0.050 0.050 2091433.68750 122479.87500 1 0
41 {163.HN} 7.827 0.050 0.050 {163.N} 125.624 0.050 0.050 {163.HD#} 3.181 0.050 0.050 355285.81250 34668.81250 1 0
42 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.639 0.050 0.050 {128.HB1} 2.697 0.050 0.050 1868825.81250 80122.18750 1 0
43 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.594 0.050 0.050 {128.HD22} 7.552 0.050 0.050 15833939.56250 754502.62500 1 0
44 {156.HN} 7.723 0.050 0.050 {156.N} 112.823 0.050 0.050 {155.HA} 4.161 0.050 0.050 1816808.43750 88317.75000 1 0
45 {156.HN} 7.722 0.050 0.050 {156.N} 112.771 0.050 0.050 {156.HB#} 3.807 0.050 0.050 6011947.81250 278621.50000 1 0
46 {156.HN} 7.721 0.050 0.050 {156.N} 112.765 0.050 0.050 {155.HB#} 1.399 0.050 0.050 4866354.68750 222180.31250 1 0
47 {133.HN} 7.815 0.050 0.050 {133.N} 122.205 0.050 0.050 {133.HA} 4.114 0.050 0.050 3292987.18750 147171.93750 1 0
48 {133.HN} 7.814 0.050 0.050 {133.N} 122.225 0.050 0.050 {133.HB#} 1.401 0.050 0.050 7398035.37500 327505.00000 1 0
49 {133.HN} 7.817 0.050 0.050 {133.N} 122.223 0.050 0.050 {134.HN} 7.474 0.050 0.050 1680536.37500 72705.37500 1 0
50 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HB} 4.387 0.050 0.050 1422640.00000 65333.00000 1 0
51 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HA} 4.023 0.050 0.050 2264484.68750 97275.18750 1 0
52 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HB1} 1.837 0.050 0.050 2245435.56250 99519.12500 1 0
53 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HG} 1.688 0.050 0.050 2860772.50000 120760.93750 1 0
54 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HB2} 1.484 0.050 0.050 1920402.18750 85739.81250 1 0
55 {152.HN} 7.691 0.050 0.050 {152.N} 121.342 0.050 0.050 {152.HD2#} 0.714 0.050 0.050 3591609.43750 164229.50000 1 0
56 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {149.HN} 8.492 0.050 0.050 2287299.56250 104993.87500 1 0
57 {150.HN} 8.443 0.050 0.050 {150.N} 118.233 0.050 0.050 {150.HA} 4.141 0.050 0.050 2649386.12500 129039.06250 1 0
59 {150.HN} 8.445 0.050 0.050 {150.N} 118.290 0.050 0.050 {146.HB1} 1.832 0.050 0.050 1930198.37500 89839.68750 1 0
60 {150.HN} 8.447 0.050 0.050 {150.N} 118.284 0.050 0.050 {149.HB2} 1.482 0.050 0.050 1093329.12500 51932.25000 1 0
62 {150.HN} 8.449 0.050 0.050 {150.N} 118.302 0.050 0.050 {151.HN} 7.577 0.050 0.050 2074394.75000 96529.87500 1 0
63 {138.HN} 7.773 0.050 0.050 {138.N} 121.685 0.050 0.050 {138.HB} 1.963 0.050 0.050 3286130.75000 142338.62500 1 0
64 {138.HN} 7.772 0.050 0.050 {138.N} 121.686 0.050 0.050 {138.HG1#} 0.934 0.050 0.050 1453352.06250 66352.43750 1 0
65 {138.HN} 7.772 0.050 0.050 {138.N} 121.678 0.050 0.050 {138.HD1#} 0.801 0.050 0.050 3099161.31250 138666.12500 1 0
66 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {156.HA} 4.265 0.050 0.050 3458689.37500 125439.25000 1 0
67 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {158.HA1} 4.032 0.050 0.050 11315580.81250 512384.68750 1 0
68 {158.HN} 7.920 0.050 0.050 {158.N} 107.349 0.050 0.050 {159.HD2} 3.605 0.050 0.050 1224059.50000 56507.43750 1 0
69 {158.HN} 7.920 0.050 0.050 {158.N} 107.343 0.050 0.050 {157.HB#} 1.376 0.050 0.050 3406508.68750 165402.50000 1 0
70 {160.HN} 8.241 0.050 0.050 {160.N} 113.791 0.050 0.050 {159.HA} 4.471 0.050 0.050 1481402.62500 70702.75000 1 0
71 {137.HN} 7.564 0.050 0.050 {137.N} 120.104 0.050 0.050 {137.HA} 4.134 0.050 0.050 2587071.12500 116238.18750 1 0
72 {137.HN} 7.561 0.050 0.050 {137.N} 120.085 0.050 0.050 {136.HB2} 2.817 0.050 0.050 1353594.62500 61776.50000 1 0
73 {137.HN} 7.566 0.050 0.050 {137.N} 120.124 0.050 0.050 {136.HB1} 2.642 0.050 0.050 1156158.75000 54320.81250 1 0
74 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HB1} 1.904 0.050 0.050 4163407.31250 151128.31250 1 0
75 {137.HN} 7.561 0.050 0.050 {137.N} 120.075 0.050 0.050 {137.HG#} 1.770 0.050 0.050 2326292.06250 102779.68750 1 0
76 {148.HN} 7.745 0.050 0.050 {148.N} 120.969 0.050 0.050 {148.HA} 4.171 0.050 0.050 2226070.25000 100284.18750 1 0
77 {148.HN} 7.743 0.050 0.050 {148.N} 120.953 0.050 0.050 {144.HA} 4.040 0.050 0.050 1365301.43750 42505.18750 1 0
78 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HA2} 3.935 0.050 0.050 1473879.12500 59301.62500 1 0
79 {148.HN} 7.750 0.050 0.050 {148.N} 120.917 0.050 0.050 {148.HG1} 2.469 0.050 0.050 1438383.93750 65964.81250 1 0
80 {148.HN} 7.747 0.050 0.050 {148.N} 120.962 0.050 0.050 {148.HG2} 2.712 0.050 0.050 1933365.81250 88597.56250 1 0
81 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {148.HB2} 2.190 0.050 0.050 2017009.00000 84570.43750 1 0
82 {148.HN} 7.747 0.050 0.050 {148.N} 120.951 0.050 0.050 {148.HE#} 1.785 0.050 0.050 2163739.87500 92760.87500 1 0
83 {148.HN} 7.751 0.050 0.050 {148.N} 120.989 0.050 0.050 {149.HN} 8.478 0.050 0.050 2488699.12500 112713.87500 1 0
84 {143.HN} 8.087 0.050 0.050 {143.N} 115.415 0.050 0.050 {144.HB2} 2.177 0.050 0.050 2161680.68750 100237.12500 1 0
85 {143.HN} 8.093 0.050 0.050 {143.N} 115.436 0.050 0.050 {142.HN} 8.626 0.050 0.050 1685607.56250 75418.68750 1 0
86 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {136.HA} 4.212 0.050 0.050 1495772.18750 61132.25000 1 0
87 {136.HN} 8.611 0.050 0.050 {136.N} 120.891 0.050 0.050 {136.HB2} 2.816 0.050 0.050 2252745.31250 104917.31250 1 0
88 {136.HN} 8.612 0.050 0.050 {136.N} 120.900 0.050 0.050 {136.HB1} 2.649 0.050 0.050 1628087.62500 75013.81250 1 0
89 {136.HN} 8.611 0.050 0.050 {136.N} 120.887 0.050 0.050 {135.HN} 8.222 0.050 0.050 1628697.75000 76013.56250 1 0
90 {136.HN} 8.614 0.050 0.050 {136.N} 120.884 0.050 0.050 {137.HN} 7.564 0.050 0.050 1547658.87500 67434.68750 1 0
91 {132.HN} 8.238 0.050 0.050 {132.N} 115.760 0.050 0.050 {132.HB} 4.080 0.050 0.050 1852083.81250 86678.25000 1 0
92 {132.HN} 8.235 0.050 0.050 {132.N} 115.765 0.050 0.050 {132.HA} 3.547 0.050 0.050 1672543.50000 77069.43750 1 0
93 {132.HN} 8.238 0.050 0.050 {132.N} 115.744 0.050 0.050 {131.HB} 1.891 0.050 0.050 2021243.12500 94195.56250 1 0
94 {132.HN} 8.236 0.050 0.050 {132.N} 115.770 0.050 0.050 {132.HG2#} 1.109 0.050 0.050 1795040.68750 80463.50000 1 0
95 {132.HN} 8.236 0.050 0.050 {132.N} 115.746 0.050 0.050 {133.HN} 7.823 0.050 0.050 1593995.68750 74558.50000 1 0
96 {140.HN} 7.933 0.050 0.050 {140.N} 119.444 0.050 0.050 {139.HA} 4.214 0.050 0.050 1652692.00000 55132.25000 1 0
97 {140.HN} 7.932 0.050 0.050 {140.N} 119.476 0.050 0.050 {140.HA} 4.041 0.050 0.050 2627524.62500 119760.93750 1 0
98 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {139.HB1} 2.656 0.050 0.050 2141743.56250 85500.93750 1 0
99 {140.HN} 7.932 0.050 0.050 {140.N} 119.489 0.050 0.050 {140.HG2} 2.424 0.050 0.050 2122563.62500 98427.50000 1 0
100 {140.HN} 7.932 0.050 0.050 {140.N} 119.449 0.050 0.050 {140.HB2} 2.217 0.050 0.050 4493178.87500 202219.31250 1 0
101 {140.HN} 7.933 0.050 0.050 {140.N} 119.452 0.050 0.050 {139.HN} 8.496 0.050 0.050 1348549.75000 61872.68750 1 0
102 {142.HN} 8.626 0.050 0.050 {142.N} 118.966 0.050 0.050 {142.HD2#} 0.896 0.050 0.050 1771543.62500 81387.18750 1 0
103 {142.HN} 8.627 0.050 0.050 {142.N} 118.968 0.050 0.050 {142.HD1#} 0.710 0.050 0.050 1738238.75000 77031.25000 1 0
105 {151.HN} 7.569 0.050 0.050 {151.N} 114.504 0.050 0.050 {151.HB} 4.376 0.050 0.050 3105696.18750 142041.81250 1 0
106 {151.HN} 7.570 0.050 0.050 {151.N} 114.508 0.050 0.050 {148.HA} 4.184 0.050 0.050 1808854.62500 81251.56250 1 0
107 {151.HN} 7.570 0.050 0.050 {151.N} 114.488 0.050 0.050 {151.HA} 3.824 0.050 0.050 3052154.62500 134281.43750 1 0
108 {151.HN} 7.568 0.050 0.050 {151.N} 114.471 0.050 0.050 {150.HB#} 3.222 0.050 0.050 3392486.75000 158155.93750 1 0
109 {151.HN} 7.571 0.050 0.050 {151.N} 114.478 0.050 0.050 {151.HG2#} 1.186 0.050 0.050 2238835.56250 102843.81250 1 0
110 {151.HN} 7.568 0.050 0.050 {151.N} 114.427 0.050 0.050 {150.HN} 8.426 0.050 0.050 3562730.37500 124578.31250 1 0
111 {145.HN} 8.456 0.050 0.050 {145.N} 121.387 0.050 0.050 {145.HA} 3.407 0.050 0.050 1257616.31250 58061.31250 1 0
112 {145.HN} 8.457 0.050 0.050 {145.N} 121.437 0.050 0.050 {145.HB} 1.996 0.050 0.050 2818417.68750 128406.43750 1 0
113 {145.HN} 8.454 0.050 0.050 {145.N} 121.452 0.050 0.050 {145.HD1#} 0.817 0.050 0.050 3067312.37500 143420.25000 1 0
114 {145.HN} 8.455 0.050 0.050 {145.N} 121.409 0.050 0.050 {144.HN} 7.858 0.050 0.050 1370042.31250 60652.87500 1 0
115 {141.HN} 8.081 0.050 0.050 {141.N} 120.808 0.050 0.050 {141.HA} 4.159 0.050 0.050 2175735.00000 99818.50000 1 0
116 {141.HN} 8.084 0.050 0.050 {141.N} 120.772 0.050 0.050 {140.HA} 4.018 0.050 0.050 1098247.31250 57255.25000 1 0
117 {141.HN} 8.081 0.050 0.050 {141.N} 120.807 0.050 0.050 {141.HB1} 2.111 0.050 0.050 2677805.68750 111168.18750 1 0
118 {141.HN} 8.079 0.050 0.050 {141.N} 120.791 0.050 0.050 {141.HD2} 1.534 0.050 0.050 1731328.68750 77373.81250 1 0
119 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {142.HN} 8.629 0.050 0.050 1642273.25000 67059.93750 1 0
120 {154.HN} 7.950 0.050 0.050 {154.N} 120.519 0.050 0.050 {153.HB} 2.114 0.050 0.050 2751100.06250 124697.06250 1 0
121 {154.HN} 7.951 0.050 0.050 {154.N} 120.517 0.050 0.050 {154.HB} 1.975 0.050 0.050 6482283.43750 302635.87500 1 0
122 {154.HN} 7.950 0.050 0.050 {154.N} 120.513 0.050 0.050 {154.HG2#} 0.813 0.050 0.050 11751213.50000 541966.50000 1 0
123 {154.HN} 7.951 0.050 0.050 {154.N} 120.515 0.050 0.050 {153.HN} 8.502 0.050 0.050 2670472.06250 121348.56250 1 0
124 {135.HN} 8.227 0.050 0.050 {135.N} 119.938 0.050 0.050 {135.HB2} 1.189 0.050 0.050 891709.00000 38997.56250 1 0
125 {135.HN} 8.219 0.050 0.050 {135.N} 119.905 0.050 0.050 {135.HD2#} 0.756 0.050 0.050 1543336.00000 69800.43750 1 0
126 {157.HN} 7.742 0.050 0.050 {157.N} 124.451 0.050 0.050 {157.HB#} 1.378 0.050 0.050 12135274.62500 556372.93750 1 0
128 {162.HN} 8.206 0.050 0.050 {162.N} 126.378 0.050 0.050 {161.HA} 4.337 0.050 0.050 723132.56250 34952.81250 1 0
129 {160.HN} 8.246 0.050 0.050 {160.N} 113.788 0.050 0.050 {159.HG#} 1.946 0.050 0.050 515904.81250 24349.31250 1 0
130 {162.HN} 8.210 0.050 0.050 {162.N} 126.415 0.050 0.050 {162.HB#} 1.305 0.050 0.050 690483.12500 32357.12500 1 0
131 {163.HN} 7.825 0.050 0.050 {163.N} 125.387 0.050 0.050 {163.HB1} 1.626 0.050 0.050 1012952.31250 47411.93750 1 0
132 {160.HN} 8.247 0.050 0.050 {160.N} 113.848 0.050 0.050 {160.HA} 4.269 0.050 0.050 616496.37500 28701.00000 1 0
135 {157.HN} 7.734 0.050 0.050 {157.N} 124.385 0.050 0.050 {153.HA} 3.599 0.050 0.050 645254.87500 34120.93750 1 0
136 {157.HN} 7.742 0.050 0.050 {157.N} 124.438 0.050 0.050 {157.HA} 4.309 0.050 0.050 6634880.68750 311445.12500 1 0
137 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {148.HN} 7.749 0.050 0.050 815675.31250 35718.81250 1 0
138 {148.HN} 7.747 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HN} 7.999 0.050 0.050 1898568.50000 81567.50000 1 0
139 {146.HN} 8.422 0.050 0.050 {146.N} 120.229 0.050 0.050 {147.HN} 7.999 0.050 0.050 1168761.50000 49298.12500 1 0
140 {152.HN} 7.691 0.050 0.050 {152.N} 121.337 0.050 0.050 {153.HG2#} 0.925 0.050 0.050 1041708.68750 46793.31250 1 0
141 {152.HN} 7.698 0.050 0.050 {152.N} 121.233 0.050 0.050 {148.HA} 4.181 0.050 0.050 879394.81250 42632.50000 1 0
142 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HA} 3.817 0.050 0.050 1115679.75000 34815.56250 1 0
143 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {148.HA} 4.175 0.050 0.050 671212.37500 27844.43750 1 0
144 {153.HN} 8.513 0.050 0.050 {153.N} 120.668 0.050 0.050 {149.HB2} 1.474 0.050 0.050 1052066.43750 46605.31250 1 0
145 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {153.HB} 2.134 0.050 0.050 585092.50000 21393.37500 1 0
146 {145.HN} 8.456 0.050 0.050 {145.N} 121.432 0.050 0.050 {142.HA} 3.961 0.050 0.050 920791.62500 35105.75000 1 0
147 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {144.HN} 7.860 0.050 0.050 2613082.06250 113979.31250 1 0
149 {138.HN} 7.780 0.050 0.050 {138.N} 121.747 0.050 0.050 {139.HN} 8.499 0.050 0.050 835255.43750 36492.50000 1 0
150 {137.HN} 7.565 0.050 0.050 {137.N} 120.108 0.050 0.050 {138.HN} 7.778 0.050 0.050 1763238.25000 80366.31250 1 0
151 {136.HN} 8.611 0.050 0.050 {136.N} 120.871 0.050 0.050 {133.HN} 7.799 0.050 0.050 737792.18750 36102.50000 1 0
152 {135.HN} 8.222 0.050 0.050 {135.N} 119.993 0.050 0.050 {136.HN} 8.604 0.050 0.050 1051570.62500 47378.25000 1 0
153 {135.HN} 8.217 0.050 0.050 {135.N} 119.957 0.050 0.050 {134.HN} 7.473 0.050 0.050 977589.31250 44001.62500 1 0
155 {129.HN} 8.210 0.050 0.050 {129.N} 120.789 0.050 0.050 {129.HB#} 2.619 0.050 0.050 1054695.25000 47359.87500 1 0
156 {129.HN} 8.206 0.050 0.050 {129.N} 120.758 0.050 0.050 {128.HB2} 2.753 0.050 0.050 476200.00000 21682.81250 1 0
157 {130.HN} 8.186 0.050 0.050 {130.N} 119.049 0.050 0.050 {129.HB1} 2.635 0.050 0.050 597314.12500 24837.50000 1 0
158 {130.HN} 8.181 0.050 0.050 {130.N} 119.115 0.050 0.050 {130.HB2} 2.785 0.050 0.050 631588.75000 27296.62500 1 0
159 {131.HN} 8.167 0.050 0.050 {131.N} 120.717 0.050 0.050 {130.HB2} 2.785 0.050 0.050 716912.81250 26687.62500 1 0
160 {133.HN} 7.812 0.050 0.050 {133.N} 122.191 0.050 0.050 {132.HA} 3.553 0.050 0.050 746021.68750 33933.06250 1 0
161 {147.HN} 7.991 0.050 0.050 {147.N} 105.666 0.050 0.050 {143.HA} 4.166 0.050 0.050 885666.56250 39137.56250 1 0
162 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {146.HA} 3.815 0.050 0.050 1225200.31250 47358.18750 1 0
163 {138.HN} 7.772 0.050 0.050 {138.N} 121.635 0.050 0.050 {137.HA} 4.151 0.050 0.050 786522.12500 34495.68750 1 0
166 {139.HN} 8.498 0.050 0.050 {139.N} 120.474 0.050 0.050 {139.HB1} 2.701 0.050 0.050 3478628.00000 157679.56250 1 0
167 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {135.HA} 3.956 0.050 0.050 597115.62500 27441.56250 1 0
168 {135.HN} 8.221 0.050 0.050 {135.N} 119.935 0.050 0.050 {135.HA} 3.968 0.050 0.050 1074295.25000 50339.81250 1 0
169 {134.HN} 7.468 0.050 0.050 {134.N} 116.641 0.050 0.050 {134.HA} 3.936 0.050 0.050 873305.37500 39836.87500 1 0
171 {150.HN} 8.444 0.050 0.050 {150.N} 118.220 0.050 0.050 {147.HN} 7.979 0.050 0.050 439656.12500 21694.00000 1 0
172 {148.HN} 7.744 0.050 0.050 {148.N} 120.899 0.050 0.050 {145.HA} 3.418 0.050 0.050 846209.62500 40729.62500 1 0
173 {147.HN} 7.994 0.050 0.050 {147.N} 105.666 0.050 0.050 {146.HD#} 0.850 0.050 0.050 995671.62500 44247.50000 1 0
174 {148.HN} 7.748 0.050 0.050 {148.N} 120.963 0.050 0.050 {149.HB2} 1.483 0.050 0.050 664839.06250 30631.37500 1 0
175 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {149.HD1#} 0.733 0.050 0.050 789005.87500 37361.93750 1 0
176 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {143.HB1} 3.927 0.050 0.050 2404889.43750 107995.37500 1 0
178 {135.HN} 8.218 0.050 0.050 {135.N} 119.915 0.050 0.050 {135.HD1#} 0.619 0.050 0.050 1264823.93750 56162.75000 1 0
180 {134.HN} 7.467 0.050 0.050 {134.N} 116.706 0.050 0.050 {135.HG} 1.784 0.050 0.050 1457447.93750 64965.62500 1 0
181 {134.HN} 7.464 0.050 0.050 {134.N} 116.680 0.050 0.050 {134.HD#} 3.081 0.050 0.050 480722.31250 21356.00000 1 0
183 {146.HN} 8.420 0.050 0.050 {146.N} 120.144 0.050 0.050 {145.HA} 3.396 0.050 0.050 795629.75000 36005.68750 1 0
184 {138.HN} 7.775 0.050 0.050 {138.N} 121.699 0.050 0.050 {138.HA} 3.485 0.050 0.050 1004072.50000 44757.25000 1 0
185 {143.HN} 8.084 0.050 0.050 {143.N} 115.432 0.050 0.050 {142.HD2#} 0.937 0.050 0.050 1072540.31250 45576.87500 1 0
186 {130.HD21} 6.896 0.050 0.050 {130.ND2} 112.557 0.050 0.050 {130.HD22} 7.565 0.050 0.050 8391214.18750 388118.75000 1 0
187 {145.HN} 8.457 0.050 0.050 {145.N} 121.438 0.050 0.050 {144.HB2} 2.161 0.050 0.050 2243676.18750 100869.18750 1 0
188 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {142.HD1#} 0.676 0.050 0.050 808987.25000 23885.00000 1 0
190 {143.HN} 8.091 0.050 0.050 {143.N} 115.423 0.050 0.050 {143.HA} 4.159 0.050 0.050 2449043.56250 113871.81250 1 0
191 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {135.HB1} 1.963 0.050 0.050 1408524.56250 59386.68750 1 0
192 {132.HN} 8.237 0.050 0.050 {132.N} 115.770 0.050 0.050 {131.HG2#} 0.768 0.050 0.050 2635284.93750 117520.31250 1 0
193 {140.HN} 7.930 0.050 0.050 {140.N} 119.433 0.050 0.050 {140.HB1} 2.090 0.050 0.050 2435039.93750 112207.25000 1 0
194 {142.HN} 8.624 0.050 0.050 {142.N} 118.958 0.050 0.050 {141.HA} 4.159 0.050 0.050 1554529.62500 71307.56250 1 0
195 {142.HN} 8.625 0.050 0.050 {142.N} 118.947 0.050 0.050 {142.HG} 1.959 0.050 0.050 2578566.12500 113212.25000 1 0
196 {141.HN} 8.079 0.050 0.050 {141.N} 120.855 0.050 0.050 {141.HG2} 1.739 0.050 0.050 1594330.56250 72527.37500 1 0
197 {143.HN} 8.091 0.050 0.050 {143.N} 115.448 0.050 0.050 {143.HB2} 4.021 0.050 0.050 4317122.25000 188523.81250 1 0
198 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 794360.81250 33780.93750 1 0
199 {156.HN} 7.723 0.050 0.050 {156.N} 112.817 0.050 0.050 {153.HG1#} 0.838 0.050 0.050 975542.12500 48378.50000 1 0
200 {156.HN} 7.721 0.050 0.050 {156.N} 112.818 0.050 0.050 {152.HD1#} 0.705 0.050 0.050 774193.37500 38707.75000 1 0
201 {154.HN} 7.947 0.050 0.050 {154.N} 120.510 0.050 0.050 {155.HB#} 1.400 0.050 0.050 985671.12500 44028.12500 1 0
202 {139.HN} 8.499 0.050 0.050 {139.N} 120.490 0.050 0.050 {135.HB2} 1.198 0.050 0.050 540971.37500 18721.06250 1 0
203 {153.HN} 8.507 0.050 0.050 {153.N} 120.616 0.050 0.050 {153.HG2#} 0.942 0.050 0.050 5184318.12500 201618.87500 1 0
204 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HG2#} 1.188 0.050 0.050 981698.31250 39163.18750 1 0
205 {151.HN} 7.570 0.050 0.050 {151.N} 114.381 0.050 0.050 {154.HN} 7.955 0.050 0.050 487050.87500 23984.00000 1 0
206 {151.HN} 7.570 0.050 0.050 {151.N} 114.509 0.050 0.050 {152.HB1} 1.799 0.050 0.050 893859.81250 38566.75000 1 0
207 {151.HN} 7.568 0.050 0.050 {151.N} 114.534 0.050 0.050 {154.HG2#} 0.780 0.050 0.050 962142.31250 44229.06250 1 0
209 {146.HN} 8.422 0.050 0.050 {146.N} 120.247 0.050 0.050 {148.HA} 4.166 0.050 0.050 914760.18750 37778.50000 1 0
210 {160.HN} 8.245 0.050 0.050 {160.N} 113.813 0.050 0.050 {159.HB1} 2.238 0.050 0.050 383448.75000 19160.93750 1 0
212 {155.HN} 7.728 0.050 0.050 {155.N} 122.200 0.050 0.050 {152.HA} 3.978 0.050 0.050 996562.37500 52028.56250 1 0
213 {154.HN} 7.948 0.050 0.050 {154.N} 120.473 0.050 0.050 {151.HG2#} 1.198 0.050 0.050 485750.43750 22549.75000 1 0
216 {139.HN} 8.507 0.050 0.050 {139.N} 120.490 0.050 0.050 {142.HD1#} 0.676 0.050 0.050 1158066.56250 67280.62500 1 0
222 {147.HN} 7.994 0.050 0.050 {147.N} 105.666 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 507792.93750 24526.68750 1 0
223 {146.HN} 8.422 0.050 0.050 {146.N} 120.266 0.050 0.050 {145.HG12} 0.667 0.050 0.050 1897036.62500 43270.68750 1 0
225 {145.HN} 8.454 0.050 0.050 {145.N} 121.362 0.050 0.050 {146.HG} 1.512 0.050 0.050 569106.18750 25283.37500 1 0
226 {144.HN} 7.855 0.050 0.050 {144.N} 124.774 0.050 0.050 {145.HG1#} 0.714 0.050 0.050 652719.87500 32574.31250 1 0
227 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {145.HN} 8.456 0.050 0.050 432284.18750 20646.68750 1 0
229 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {144.HN} 7.860 0.050 0.050 597212.06250 27395.12500 1 0
230 {142.HN} 8.625 0.050 0.050 {142.N} 118.947 0.050 0.050 {138.HA} 3.485 0.050 0.050 466556.68750 23078.93750 1 0
231 {142.HN} 8.627 0.050 0.050 {142.N} 119.021 0.050 0.050 {141.HG2} 1.735 0.050 0.050 675066.06250 31423.06250 1 0
232 {141.HN} 8.079 0.050 0.050 {141.N} 120.756 0.050 0.050 {138.HA} 3.483 0.050 0.050 611743.50000 28301.93750 1 0
234 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {141.HG1} 1.422 0.050 0.050 1293215.25000 48625.37500 1 0
235 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {138.HG2#} 0.804 0.050 0.050 990827.81250 29043.68750 1 0
236 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {138.HG2#} 0.804 0.050 0.050 384519.31250 18163.75000 1 0
239 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {135.HA} 3.956 0.050 0.050 642447.81250 25144.31250 1 0
240 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HD1} 3.223 0.050 0.050 569272.81250 25467.43750 1 0
241 {136.HN} 8.607 0.050 0.050 {136.N} 120.861 0.050 0.050 {133.HB#} 1.397 0.050 0.050 472044.31250 23881.50000 1 0
242 {136.HN} 8.614 0.050 0.050 {136.N} 120.853 0.050 0.050 {135.HD2#} 0.770 0.050 0.050 891088.06250 39881.87500 1 0
243 {135.HN} 8.216 0.050 0.050 {135.N} 119.985 0.050 0.050 {133.HA} 4.136 0.050 0.050 535060.75000 22919.00000 1 0
246 {133.HN} 7.815 0.050 0.050 {133.N} 122.215 0.050 0.050 {132.HG2#} 1.151 0.050 0.050 824506.75000 41008.31250 1 0
247 {132.HN} 8.235 0.050 0.050 {132.N} 115.771 0.050 0.050 {131.HG11} 1.532 0.050 0.050 594339.87500 29618.31250 1 0
248 {132.HN} 8.237 0.050 0.050 {132.N} 115.785 0.050 0.050 {133.HB#} 1.384 0.050 0.050 797449.06250 37388.56250 1 0
249 {131.HN} 8.164 0.050 0.050 {131.N} 120.693 0.050 0.050 {131.HG11} 1.560 0.050 0.050 1413044.00000 64485.68750 1 0
250 {131.HN} 8.167 0.050 0.050 {131.N} 120.680 0.050 0.050 {127.HG2#} 1.153 0.050 0.050 446441.37500 19822.37500 1 0
251 {154.HN} 7.951 0.050 0.050 {154.N} 120.503 0.050 0.050 {154.HA} 3.738 0.050 0.050 3344240.62500 152548.25000 1 0
252 {154.HN} 7.950 0.050 0.050 {154.N} 120.510 0.050 0.050 {153.HA} 3.589 0.050 0.050 1413223.75000 53836.68750 1 0
254 {150.HN} 8.446 0.050 0.050 {150.N} 118.271 0.050 0.050 {150.HB#} 3.221 0.050 0.050 6720012.87500 305577.43750 1 0
258 {153.HN} 8.507 0.050 0.050 {153.N} 120.622 0.050 0.050 {154.HN} 7.951 0.050 0.050 3267295.68750 122649.56250 1 0
260 {139.HN} 8.499 0.050 0.050 {139.N} 120.490 0.050 0.050 {137.HN} 7.563 0.050 0.050 506955.75000 25529.25000 1 0
262 {138.HN} 7.775 0.050 0.050 {138.N} 121.660 0.050 0.050 {137.HN} 7.563 0.050 0.050 1359492.50000 46149.43750 1 0
263 {138.HN} 7.782 0.050 0.050 {138.N} 121.678 0.050 0.050 {137.HG#} 1.748 0.050 0.050 1023780.31250 40854.31250 1 0
267 {137.HN} 7.569 0.050 0.050 {137.N} 120.186 0.050 0.050 {140.HG2} 2.443 0.050 0.050 418459.18750 19390.93750 1 0
269 {135.HN} 8.223 0.050 0.050 {135.N} 119.935 0.050 0.050 {133.HN} 7.841 0.050 0.050 407839.31250 21617.62500 1 0
270 {135.HN} 8.226 0.050 0.050 {135.N} 120.034 0.050 0.050 {132.HA} 3.530 0.050 0.050 522438.25000 23776.68750 1 0
271 {134.HN} 7.471 0.050 0.050 {134.N} 116.623 0.050 0.050 {131.HA} 3.577 0.050 0.050 522776.18750 24514.31250 1 0
274 {128.HD22} 7.548 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HA} 4.592 0.050 0.050 374856.68750 19137.68750 1 0
275 {130.HD22} 7.559 0.050 0.050 {130.ND2} 112.584 0.050 0.050 {130.HB1} 2.850 0.050 0.050 1208358.50000 51379.75000 1 0
276 {130.HD21} 6.900 0.050 0.050 {130.ND2} 112.481 0.050 0.050 {127.HB} 4.168 0.050 0.050 724771.12500 36049.12500 1 0
277 {130.HD21} 6.905 0.050 0.050 {130.ND2} 112.547 0.050 0.050 {130.HB2} 2.781 0.050 0.050 1109531.06250 45877.68750 1 0
278 {130.HD21} 6.897 0.050 0.050 {130.ND2} 112.547 0.050 0.050 {130.HB1} 2.850 0.050 0.050 1022486.75000 40284.31250 1 0
280 {130.HN} 8.181 0.050 0.050 {130.N} 119.115 0.050 0.050 {130.HB1} 2.850 0.050 0.050 567420.62500 24718.75000 1 0
281 {131.HN} 8.167 0.050 0.050 {131.N} 120.717 0.050 0.050 {130.HB1} 2.850 0.050 0.050 649635.50000 30808.31250 1 0
282 {163.HN} 7.830 0.050 0.050 {163.N} 125.314 0.050 0.050 {163.HB2} 1.737 0.050 0.050 879294.12500 32877.00000 1 0
283 {163.HN} 7.824 0.050 0.050 {163.N} 125.516 0.050 0.050 {162.HB#} 1.310 0.050 0.050 672290.62500 37221.00000 1 0
284 {161.HN} 8.128 0.050 0.050 {161.N} 117.789 0.050 0.050 {160.HA} 4.284 0.050 0.050 617549.00000 28290.18750 1 0
286 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {158.HA2} 4.066 0.050 0.050 10897935.37500 505884.43750 1 0
287 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {157.HA} 4.315 0.050 0.050 3158826.43750 146300.00000 1 0
288 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {155.HA} 4.161 0.050 0.050 687187.00000 32147.62500 1 0
289 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {154.HG2#} 0.807 0.050 0.050 724433.93750 34699.00000 1 0
291 {157.HN} 7.743 0.050 0.050 {157.N} 124.422 0.050 0.050 {154.HA} 3.711 0.050 0.050 966886.00000 43184.62500 1 0
292 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {156.HB#} 3.813 0.050 0.050 1739926.18750 77777.12500 1 0
293 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {154.HN} 7.950 0.050 0.050 1574544.31250 73683.06250 1 0
294 {156.HN} 7.723 0.050 0.050 {156.N} 112.769 0.050 0.050 {156.HA} 4.295 0.050 0.050 3440920.56250 163905.62500 1 0
298 {156.HN} 7.723 0.050 0.050 {156.N} 112.786 0.050 0.050 {153.HA} 3.589 0.050 0.050 1119691.75000 49581.75000 1 0
303 {156.HN} 7.714 0.050 0.050 {156.N} 112.823 0.050 0.050 {153.HN} 8.510 0.050 0.050 440867.68750 21327.18750 1 0
306 {155.HN} 7.748 0.050 0.050 {155.N} 122.160 0.050 0.050 {152.HD1#} 0.689 0.050 0.050 556251.81250 19159.68750 1 0
307 {155.HN} 7.730 0.050 0.050 {155.N} 122.160 0.050 0.050 {151.HG2#} 1.190 0.050 0.050 792516.68750 27240.12500 1 0
308 {155.HN} 7.727 0.050 0.050 {155.N} 122.197 0.050 0.050 {153.HN} 8.510 0.050 0.050 567608.18750 29210.37500 1 0
310 {154.HN} 7.950 0.050 0.050 {154.N} 120.565 0.050 0.050 {150.HA} 4.140 0.050 0.050 945893.87500 40045.75000 1 0
311 {154.HN} 7.945 0.050 0.050 {154.N} 120.565 0.050 0.050 {152.HA} 4.048 0.050 0.050 415909.50000 26704.43750 1 0
314 {153.HN} 8.506 0.050 0.050 {153.N} 120.616 0.050 0.050 {156.HB#} 3.814 0.050 0.050 676329.31250 38725.12500 1 0
315 {153.HN} 8.505 0.050 0.050 {153.N} 120.543 0.050 0.050 {156.HN} 7.738 0.050 0.050 2666498.56250 116107.37500 1 0
318 {153.HN} 8.503 0.050 0.050 {153.N} 120.616 0.050 0.050 {152.HG} 1.727 0.050 0.050 742516.18750 42969.68750 1 0
319 {153.HN} 8.506 0.050 0.050 {153.N} 120.598 0.050 0.050 {149.HB1} 1.843 0.050 0.050 2058920.37500 64051.37500 1 0
320 {153.HN} 8.501 0.050 0.050 {153.N} 120.616 0.050 0.050 {154.HB} 1.979 0.050 0.050 880108.18750 44677.56250 1 0
321 {153.HN} 8.506 0.050 0.050 {153.N} 120.616 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 3806290.87500 182733.75000 1 0
323 {153.HN} 8.508 0.050 0.050 {153.N} 120.616 0.050 0.050 {152.HD1#} 0.690 0.050 0.050 2308063.43750 90425.00000 1 0
326 {153.HN} 8.502 0.050 0.050 {153.N} 120.506 0.050 0.050 {150.HA} 4.182 0.050 0.050 2922904.12500 134565.93750 1 0
336 {151.HN} 7.570 0.050 0.050 {151.N} 114.427 0.050 0.050 {149.HN} 8.492 0.050 0.050 2630264.62500 115477.93750 1 0
338 {151.HN} 7.572 0.050 0.050 {151.N} 114.482 0.050 0.050 {150.HA} 4.100 0.050 0.050 1343539.81250 45302.81250 1 0
339 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {149.HA} 3.931 0.050 0.050 1246760.31250 59104.68750 1 0
340 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 1163276.87500 41522.25000 1 0
350 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 915913.68750 39654.25000 1 0
354 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {150.HN} 8.448 0.050 0.050 2188698.31250 98730.06250 1 0
359 {146.HN} 8.421 0.050 0.050 {146.N} 120.229 0.050 0.050 {146.HG} 1.486 0.050 0.050 3229246.37500 111588.25000 1 0
360 {146.HN} 8.420 0.050 0.050 {146.N} 120.327 0.050 0.050 {142.HB1} 2.203 0.050 0.050 561012.43750 26996.75000 1 0
361 {146.HN} 8.411 0.050 0.050 {146.N} 120.247 0.050 0.050 {144.HA} 4.039 0.050 0.050 480821.50000 22889.37500 1 0
363 {145.HN} 8.452 0.050 0.050 {145.N} 121.430 0.050 0.050 {145.HG1#} 0.684 0.050 0.050 2423233.87500 95610.43750 1 0
364 {145.HN} 8.461 0.050 0.050 {145.N} 121.432 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 2362472.43750 111027.56250 1 0
366 {145.HN} 8.472 0.050 0.050 {145.N} 121.382 0.050 0.050 {141.HA} 4.151 0.050 0.050 601776.12500 26883.43750 1 0
367 {145.HN} 8.449 0.050 0.050 {145.N} 121.432 0.050 0.050 {144.HA} 4.040 0.050 0.050 801521.75000 38060.62500 1 0
369 {145.HN} 8.456 0.050 0.050 {145.N} 121.432 0.050 0.050 {146.HB1} 1.837 0.050 0.050 685429.87500 30277.06250 1 0
373 {144.HN} 7.859 0.050 0.050 {144.N} 124.800 0.050 0.050 {143.HN} 8.085 0.050 0.050 2847597.25000 128257.06250 1 0
377 {144.HN} 7.861 0.050 0.050 {144.N} 124.766 0.050 0.050 {145.HB} 2.052 0.050 0.050 1317394.18750 62456.37500 1 0
378 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {146.HD#} 0.850 0.050 0.050 1057246.25000 44944.81250 1 0
379 {143.HN} 8.086 0.050 0.050 {143.N} 115.367 0.050 0.050 {142.HG} 1.955 0.050 0.050 865770.00000 41479.75000 1 0
383 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {141.HG1} 1.422 0.050 0.050 470392.68750 21510.75000 1 0
384 {142.HN} 8.625 0.050 0.050 {142.N} 118.928 0.050 0.050 {142.HA} 4.004 0.050 0.050 1422214.68750 64911.62500 1 0
386 {142.HN} 8.631 0.050 0.050 {142.N} 118.952 0.050 0.050 {142.HB1} 2.157 0.050 0.050 2118786.00000 96672.43750 1 0
387 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {139.HA} 4.215 0.050 0.050 911284.87500 48474.37500 1 0
388 {142.HN} 8.627 0.050 0.050 {142.N} 118.959 0.050 0.050 {141.HN} 8.087 0.050 0.050 3168117.75000 144271.43750 1 0
392 {141.HN} 8.079 0.050 0.050 {141.N} 120.825 0.050 0.050 {144.HN} 7.860 0.050 0.050 829408.81250 34107.43750 1 0
395 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {142.HG} 1.958 0.050 0.050 783629.62500 27614.43750 1 0
399 {140.HN} 7.937 0.050 0.050 {140.N} 119.446 0.050 0.050 {141.HG2} 1.768 0.050 0.050 591147.87500 27742.87500 1 0
402 {140.HN} 7.933 0.050 0.050 {140.N} 119.444 0.050 0.050 {136.HA} 4.212 0.050 0.050 1277922.68750 55132.25000 1 0
403 {139.HN} 8.499 0.050 0.050 {139.N} 120.480 0.050 0.050 {140.HG2} 2.413 0.050 0.050 516307.75000 24470.75000 1 0
407 {139.HN} 8.503 0.050 0.050 {139.N} 120.480 0.050 0.050 {138.HB} 1.930 0.050 0.050 2058920.37500 91488.87500 1 0
408 {139.HN} 8.504 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HB1} 2.086 0.050 0.050 2220591.68750 83170.87500 1 0
409 {139.HN} 8.503 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HB2} 2.202 0.050 0.050 1361941.68750 93448.43750 1 0
412 {139.HN} 8.505 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HN} 7.933 0.050 0.050 3267295.68750 143096.62500 1 0
417 {139.HN} 8.506 0.050 0.050 {139.N} 120.600 0.050 0.050 {138.HG1#} 0.900 0.050 0.050 5184318.12500 233621.50000 1 0
418 {139.HN} 8.497 0.050 0.050 {139.N} 120.490 0.050 0.050 {138.HA} 3.488 0.050 0.050 514059.81250 25882.25000 1 0
419 {139.HN} 8.504 0.050 0.050 {139.N} 120.589 0.050 0.050 {135.HA} 3.997 0.050 0.050 1496329.87500 69752.68750 1 0
424 {138.HN} 7.773 0.050 0.050 {138.N} 121.710 0.050 0.050 {135.HA} 3.948 0.050 0.050 792537.68750 35961.37500 1 0
427 {137.HN} 7.563 0.050 0.050 {137.N} 120.091 0.050 0.050 {136.HN} 8.614 0.050 0.050 1315663.81250 54020.93750 1 0
429 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HD2} 3.165 0.050 0.050 512917.37500 21281.56250 1 0
430 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {134.HA} 3.938 0.050 0.050 651071.43750 25033.18750 1 0
431 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {137.HB1} 1.904 0.050 0.050 1207189.62500 54348.12500 1 0
437 {136.HN} 8.613 0.050 0.050 {136.N} 120.877 0.050 0.050 {132.HA} 3.544 0.050 0.050 699885.18750 31995.81250 1 0
440 {136.HN} 8.604 0.050 0.050 {136.N} 120.826 0.050 0.050 {134.HN} 7.466 0.050 0.050 572288.00000 26152.87500 1 0
441 {135.HN} 8.220 0.050 0.050 {135.N} 119.983 0.050 0.050 {135.HG} 1.838 0.050 0.050 2167033.87500 93793.50000 1 0
444 {135.HN} 8.219 0.050 0.050 {135.N} 119.985 0.050 0.050 {135.HB1} 1.959 0.050 0.050 1706038.81250 75025.31250 1 0
448 {134.HN} 7.466 0.050 0.050 {134.N} 116.649 0.050 0.050 {131.HG2#} 0.768 0.050 0.050 574137.06250 27131.93750 1 0
454 {134.HN} 7.465 0.050 0.050 {134.N} 116.473 0.050 0.050 {136.HN} 8.606 0.050 0.050 379173.18750 19086.62500 1 0
455 {133.HN} 7.815 0.050 0.050 {133.N} 122.225 0.050 0.050 {132.HN} 8.221 0.050 0.050 1804152.62500 84363.31250 1 0
467 {131.HN} 8.159 0.050 0.050 {131.N} 120.680 0.050 0.050 {131.HG12} 0.978 0.050 0.050 680586.43750 29779.81250 1 0
470 {131.HN} 8.171 0.050 0.050 {131.N} 120.745 0.050 0.050 {134.HN} 7.477 0.050 0.050 381379.56250 19390.31250 1 0
472 {128.HD22} 7.555 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HB1} 2.696 0.050 0.050 3351378.06250 138464.62500 1 0
473 {128.HD22} 7.552 0.050 0.050 {128.ND2} 112.584 0.050 0.050 {128.HD21} 6.846 0.050 0.050 22686713.62500 944302.68750 1 0
477 {130.HD22} 7.559 0.050 0.050 {130.ND2} 112.584 0.050 0.050 {130.HD21} 6.897 0.050 0.050 15303099.56250 727601.93750 1 0
482 {129.HN} 8.207 0.050 0.050 {129.N} 120.758 0.050 0.050 {128.HB1} 2.696 0.050 0.050 496002.31250 21267.00000 1 0
489 {130.HD22} 7.551 0.050 0.050 {130.ND2} 112.573 0.050 0.050 {131.HD1#} 0.791 0.050 0.050 634104.62500 30389.12500 1 0
492 {128.HD21} 6.867 0.050 0.050 {128.ND2} 112.639 0.050 0.050 {128.HB2} 2.754 0.050 0.050 1576449.06250 73788.56250 1 0
493 {158.HN} 7.922 0.050 0.050 {158.N} 107.404 0.050 0.050 {156.HB#} 3.833 0.050 0.050 842492.37500 43214.31250 1 0
499 {150.HN} 8.448 0.050 0.050 {150.N} 118.304 0.050 0.050 {149.HG} 1.698 0.050 0.050 631196.12500 33094.87500 1 0
500 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {152.HG} 1.710 0.050 0.050 2613987.68750 117362.81250 1 0
502 {144.HN} 7.860 0.050 0.050 {144.N} 124.771 0.050 0.050 {145.HD1#} 0.841 0.050 0.050 1352069.37500 62067.25000 1 0
503 {144.HN} 7.865 0.050 0.050 {144.N} 124.838 0.050 0.050 {146.HB2} 1.522 0.050 0.050 523565.50000 25434.87500 1 0
505 {143.HN} 8.091 0.050 0.050 {143.N} 115.362 0.050 0.050 {140.HG2} 2.420 0.050 0.050 420061.87500 23296.87500 1 0
506 {137.HN} 7.562 0.050 0.050 {137.N} 120.034 0.050 0.050 {140.HB2} 2.221 0.050 0.050 516047.31250 22416.62500 1 0
508 {137.HN} 7.567 0.050 0.050 {137.N} 120.072 0.050 0.050 {141.HG1} 1.432 0.050 0.050 514322.00000 24854.93750 1 0
509 {137.HN} 7.566 0.050 0.050 {137.N} 120.024 0.050 0.050 {138.HD1#} 0.779 0.050 0.050 668659.56250 32200.06250 1 0
510 {136.HN} 8.610 0.050 0.050 {136.N} 120.848 0.050 0.050 {137.HG#} 1.767 0.050 0.050 750692.93750 35026.93750 1 0
519 {130.HD21} 6.891 0.050 0.050 {130.ND2} 112.523 0.050 0.050 {133.HB#} 1.387 0.050 0.050 558646.81250 28081.00000 1 0
525 {142.HN} 8.626 0.050 0.050 {142.N} 118.931 0.050 0.050 {141.HB2} 1.534 0.050 0.050 1165411.87500 53957.31250 1 0
526 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {141.HB2} 1.592 0.050 0.050 1216654.06250 51287.68750 1 0
528 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {139.HB2} 2.714 0.050 0.050 2055244.25000 92038.31250 1 0
535 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HB2} 1.972 0.050 0.050 3055913.06250 131601.87500 1 0
539 {128.HD22} 7.559 0.050 0.050 {128.ND2} 112.555 0.050 0.050 {132.HG2#} 1.138 0.050 0.050 659354.06250 33447.00000 1 0
540 {128.HD21} 6.864 0.050 0.050 {128.ND2} 112.731 0.050 0.050 {131.HD1#} 0.794 0.050 0.050 676989.06250 35976.00000 1 0
541 {128.HD21} 6.865 0.050 0.050 {128.ND2} 112.706 0.050 0.050 {131.HG12} 0.977 0.050 0.050 605766.68750 38696.43750 1 0
542 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.697 0.050 0.050 {127.HG2#} 1.144 0.050 0.050 456764.75000 24404.93750 1 0
548 {155.HN} 7.732 0.050 0.050 {155.N} 122.160 0.050 0.050 {156.HB#} 3.813 0.050 0.050 726783.62500 46806.62500 1 0
552 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {147.HA1} 3.852 0.050 0.050 4525245.18750 175146.18750 1 0
555 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {148.HB1} 1.765 0.050 0.050 2266186.25000 99707.62500 1 0
560 {155.HN} 7.727 0.050 0.050 {155.N} 122.140 0.050 0.050 {154.HN} 7.946 0.050 0.050 4314555.87500 203381.56250 1 0
561 {154.HN} 7.951 0.050 0.050 {154.N} 120.529 0.050 0.050 {155.HN} 7.729 0.050 0.050 3596071.37500 167087.75000 1 0
564 {154.HN} 7.949 0.050 0.050 {154.N} 120.510 0.050 0.050 {152.HN} 7.671 0.050 0.050 2602832.93750 85621.50000 1 0
565 {154.HN} 7.952 0.050 0.050 {154.N} 120.502 0.050 0.050 {153.HG2#} 0.921 0.050 0.050 2158156.18750 100058.68750 1 0
569 {157.HN} 7.742 0.050 0.050 {157.N} 124.505 0.050 0.050 {158.HA2} 4.064 0.050 0.050 617596.62500 30567.50000 1 0
570 {157.HN} 7.738 0.050 0.050 {157.N} 124.512 0.050 0.050 {158.HA1} 4.030 0.050 0.050 734111.25000 38188.25000 1 0
571 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {147.HA1} 3.853 0.050 0.050 1246710.31250 55697.06250 1 0
572 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HA1} 3.853 0.050 0.050 1336441.56250 58361.00000 1 0
573 {148.HN} 7.745 0.050 0.050 {148.N} 120.953 0.050 0.050 {144.HB1} 2.137 0.050 0.050 1375585.68750 77971.81250 1 0
574 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {144.HA} 4.040 0.050 0.050 1280830.50000 55040.00000 1 0
581 {143.HN} 8.086 0.050 0.050 {143.N} 115.386 0.050 0.050 {142.HB2} 1.146 0.050 0.050 1054751.18750 47980.56250 1 0
582 {142.HN} 8.626 0.050 0.050 {142.N} 118.929 0.050 0.050 {142.HB2} 1.149 0.050 0.050 1126997.06250 52188.75000 1 0
584 {141.HN} 8.081 0.050 0.050 {141.N} 120.807 0.050 0.050 {142.HB1} 2.195 0.050 0.050 2453894.50000 110435.37500 1 0
587 {138.HN} 7.772 0.050 0.050 {138.N} 121.678 0.050 0.050 {135.HD2#} 0.696 0.050 0.050 405490.87500 20195.31250 1 0
590 {136.HN} 8.615 0.050 0.050 {136.N} 120.904 0.050 0.050 {135.HB2} 1.182 0.050 0.050 789632.75000 35928.87500 1 0
591 {136.HN} 8.616 0.050 0.050 {136.N} 120.883 0.050 0.050 {133.HA} 4.112 0.050 0.050 1233114.18750 54700.31250 1 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-aliphatic . folded 4261.4 Hz . . . 4.76 . . 34513 3
2 . . C 13 C-aliphatic . folded 15290.5 Hz . . . 41.7 . . 34513 3
3 . . H 1 H . folded 9505.7 Hz . . . 4.76 . . 34513 3
stop_
save_