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 30531
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 10
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic'
_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
;
# Number of dimensions 3
# FORMAT xeasy3D
# INAME 1 H
# INAME 2 HC
# INAME 3 C
# NMR peak file from UNIO
# UNIO version 2.0.3
# File format : xeasy
# File generated: 2018 July 3th, 14:22:28
# ATNOSCANDIDKIND hHC
# ATNOSCANDIDTYPE noesy_aromatic
1 8.490 6.997 130.875 1 U 4.490E+01 1.476E+01 e 0 358 310 314 #VC 1.00000 #SUP 6.98
2 7.952 6.997 130.815 1 U 2.759E+01 1.314E+01 e 0 1350 1479 1478 #VC 1.00000 #SUP 9.47
3 7.486 6.995 130.786 1 U 4.830E+02 1.347E+01 e 0 371 310 314 #VC 1.00000 #SUP 7.94
4 3.992 6.997 130.789 1 U 2.341E+02 1.385E+01 e 0 1327 1479 1478 #VC 1.00000 #SUP 5.16
5 2.988 7.000 130.799 1 U 9.128E+02 1.372E+01 e 0 1329 1479 1478 #VC 1.00000 #SUP 7.89
6 -0.615 6.995 130.784 1 U 4.054E+02 1.457E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
7 6.824 6.993 130.784 1 U 7.632E+02 1.314E+01 e 0 967 1479 1478 #VC 1.00000 #SUP 0.75
8 5.973 6.994 130.820 1 U 1.916E+02 1.289E+01 e 0 976 1479 1478 #VC 1.00000 #SUP 4.77
9 4.396 6.993 130.784 1 U 4.957E+02 1.272E+01 e 0 305 310 314 #VC 1.00000 #SUP 7.56
10 1.763 6.992 130.825 1 U 3.741E+02 1.320E+01 e 0 1354 310 314 #VC 1.00000 #SUP 7.88
11 0.393 6.991 130.786 1 U 5.730E+02 1.288E+01 e 0 231 310 314 #VC 1.00000 #SUP 6.16
12 10.381 6.999 130.757 1 U 4.622E+01 1.506E+01 e 0 375 310 314 #VC 1.00000 #SUP 3.80
13 3.819 6.996 130.767 1 U 2.387E+02 1.703E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
14 9.191 6.991 130.772 1 U 8.153E+01 1.465E+01 e 0 328 310 314 #VC 1.00000 #SUP 7.29
15 8.333 6.990 130.716 1 U 1.015E+02 1.464E+01 e 0 303 310 314 #VC 1.00000 #SUP 6.21
16 6.641 6.991 130.777 1 U 3.599E+03 1.446E+01 e 0 311 310 314 #VC 1.00000 #SUP 5.17
17 6.221 6.991 130.772 1 U 6.797E+01 1.438E+01 e 0 155 310 314 #VC 1.00000 #SUP 2.87
18 5.720 6.989 130.772 1 U 1.475E+02 1.561E+01 e 0 1495 310 314 #VC 1.00000 #SUP 6.58
19 3.176 6.991 130.726 1 U 3.302E+02 1.557E+01 e 0 333 310 314 #VC 1.00000 #SUP 6.88
20 2.761 6.991 130.782 1 U 1.031E+03 1.468E+01 e 0 308 310 314 #VC 1.00000 #SUP 5.48
21 1.611 6.993 130.746 1 U 1.369E+02 1.480E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
22 0.990 6.992 130.762 1 U 6.601E+02 1.512E+01 e 0 1355 310 314 #VC 1.00000 #SUP 8.93
23 0.782 6.990 130.721 1 U 6.126E+01 1.550E+01 e 0 722 310 314 #VC 1.00000 #SUP 4.76
24 0.534 6.993 130.772 1 U 3.685E+02 1.607E+01 e 0 724 310 314 #VC 1.00000 #SUP 3.87
25 0.074 6.991 130.746 1 U 6.823E+02 1.600E+01 e 0 1360 310 314 #VC 1.00000 #SUP 8.48
26 5.053 6.699 130.681 1 U 5.136E+01 1.104E+01 e 0 692 875 879 #VC 1.00000 #SUP 3.36
27 9.208 6.696 130.602 1 U 4.711E+02 1.104E+01 e 0 868 875 879 #VC 1.00000 #SUP 8.07
28 8.806 6.694 130.653 1 U 1.728E+02 1.104E+01 e 0 893 875 879 #VC 1.00000 #SUP 8.17
29 8.438 6.696 130.628 1 U 1.689E+02 1.104E+01 e 0 690 875 879 #VC 1.00000 #SUP 6.83
30 5.905 6.694 130.554 1 U 2.005E+02 1.104E+01 e 0 876 875 879 #VC 1.00000 #SUP 4.73
31 2.424 6.696 130.582 1 U 9.527E+02 1.104E+01 e 0 873 875 879 #VC 1.00000 #SUP 5.50
32 2.312 6.695 130.592 1 U 9.023E+02 1.104E+01 e 0 872 875 879 #VC 1.00000 #SUP 6.75
33 1.880 6.694 130.592 1 U 7.702E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
34 1.732 6.698 130.618 1 U 2.689E+02 1.104E+01 e 0 694 875 879 #VC 1.00000 #SUP 5.60
35 1.509 6.695 130.628 1 U 6.727E+02 1.104E+01 e 0 695 875 879 #VC 1.00000 #SUP 5.64
36 1.199 6.696 130.597 1 U 3.002E+02 1.104E+01 e 0 640 875 879 #VC 1.00000 #SUP 4.00
37 1.030 6.694 130.597 1 U 3.218E+02 1.104E+01 e 0 1517 875 879 #VC 1.00000 #SUP 3.41
38 0.772 6.695 130.633 1 U 3.545E+02 1.104E+01 e 0 1445 875 879 #VC 1.00000 #SUP 2.92
39 0.614 6.694 130.638 1 U 1.910E+02 1.104E+01 e 0 641 875 879 #VC 1.00000 #SUP 4.24
40 0.050 6.696 130.567 1 U 1.434E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
41 4.415 6.694 130.553 1 U 1.160E+02 1.104E+01 e 0 895 875 879 #VC 1.00000 #SUP 6.94
42 4.175 6.692 130.607 1 U 3.478E+01 1.104E+01 e 0 919 875 879 #VC 1.00000 #SUP 2.37
43 5.051 6.702 130.474 1 U 6.811E+01 1.104E+01 e 0 692 875 879 #VC 1.00000 #SUP 3.36
44 4.174 6.703 130.479 1 U 3.346E+01 1.104E+01 e 0 919 875 879 #VC 1.00000 #SUP 2.37
45 5.705 6.698 130.509 1 U 2.601E+02 1.104E+01 e 0 858 875 879 #VC 1.00000 #SUP 6.65
46 1.628 6.413 130.113 1 U 2.409E+02 1.207E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
47 1.781 6.488 129.982 1 U 3.506E+01 1.104E+01 e 0 1164 991 995 #VC 1.00000 #SUP 9.18
48 1.461 6.491 130.031 1 U 1.060E+02 1.104E+01 e 0 1165 991 995 #VC 1.00000 #SUP 9.18
49 8.632 6.488 130.021 1 U 1.068E+02 1.169E+01 e 0 1009 991 995 #VC 1.00000 #SUP 7.57
50 9.220 6.490 129.988 1 U 4.669E+02 1.189E+01 e 0 984 991 995 #VC 1.00000 #SUP 8.30
51 8.211 6.491 129.894 1 U 7.568E+01 1.221E+01 e 0 1173 991 995 #VC 1.00000 #SUP 10.00
52 5.906 6.488 129.978 1 U 4.146E+02 1.251E+01 e 0 870 991 995 #VC 1.00000 #SUP 7.71
53 5.267 6.488 129.948 1 U 2.480E+02 1.141E+01 e 0 962 991 995 #VC 1.00000 #SUP 7.38
54 3.817 6.490 129.918 1 U 5.263E+01 1.272E+01 e 0 1169 991 995 #VC 1.00000 #SUP 9.00
55 2.086 6.488 129.971 1 U 9.533E+02 1.259E+01 e 0 990 991 995 #VC 1.00000 #SUP 5.38
56 0.396 6.491 130.004 1 U 4.955E+01 1.125E+01 e 0 1033 991 995 #VC 1.00000 #SUP 3.09
57 8.812 6.487 129.956 1 U 1.705E+02 1.222E+01 e 0 893 991 995 #VC 1.00000 #SUP 6.50
58 6.734 6.488 129.978 1 U 2.353E+03 1.202E+01 e 0 992 991 995 #VC 1.00000 #SUP 4.63
59 4.954 6.487 129.913 1 U 2.189E+02 1.481E+01 e 0 986 991 995 #VC 1.00000 #SUP 6.89
60 4.018 6.487 129.948 1 U 3.130E+02 1.218E+01 e 0 1158 991 995 #VC 1.00000 #SUP 10.00
61 1.217 6.486 129.973 1 U 2.170E+02 1.212E+01 e 0 896 991 995 #VC 1.00000 #SUP 2.96
62 0.605 6.487 129.983 1 U 4.974E+02 1.199E+01 e 0 1125 991 995 #VC 1.00000 #SUP 6.90
63 7.596 6.424 129.953 1 U 4.271E+01 1.123E+01 e 0 580 618 622 #VC 1.00000 #SUP 6.85
64 9.103 6.416 129.978 1 U 7.798E+02 1.247E+01 e 0 611 618 622 #VC 1.00000 #SUP 7.65
65 8.718 6.416 130.004 1 U 3.549E+02 1.287E+01 e 0 521 618 622 #VC 1.00000 #SUP 9.72
66 5.476 6.416 129.988 1 U 2.833E+03 1.150E+01 e 0 619 618 622 #VC 1.00000 #SUP 4.60
67 4.914 6.419 129.938 1 U 1.711E+02 1.270E+01 e 0 1471 618 622 #VC 1.00000 #SUP 10.00
68 4.427 6.415 129.998 1 U 3.096E+02 1.360E+01 e 0 895 618 622 #VC 1.00000 #SUP 2.31
69 4.301 6.415 129.963 1 U 4.923E+02 1.223E+01 e 0 613 618 622 #VC 1.00000 #SUP 6.80
70 2.649 6.415 129.958 1 U 1.113E+03 1.214E+01 e 0 615 618 622 #VC 1.00000 #SUP 5.77
71 2.395 6.416 129.993 1 U 1.025E+03 1.137E+01 e 0 616 618 622 #VC 1.00000 #SUP 5.85
72 1.922 6.415 129.963 1 U 3.642E+02 1.216E+01 e 0 525 618 622 #VC 1.00000 #SUP 5.71
73 1.212 6.416 129.988 1 U 1.027E+03 1.169E+01 e 0 896 618 622 #VC 1.00000 #SUP 5.57
74 0.641 6.416 129.993 1 U 9.624E+02 1.214E+01 e 0 1468 618 622 #VC 1.00000 #SUP 4.73
75 0.380 6.420 129.948 1 U 1.136E+02 1.233E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
76 -0.058 6.419 129.958 1 U 2.513E+02 1.171E+01 e 0 586 618 622 #VC 1.00000 #SUP 7.51
77 8.391 6.413 129.938 1 U 1.432E+02 1.153E+01 e 0 636 618 622 #VC 1.00000 #SUP 6.62
78 7.043 6.863 129.000 1 U 1.111E+03 1.355E+01 e 0 968 967 971 #VC 1.00000 #SUP 4.39
79 6.218 6.801 128.981 1 U 2.363E+03 1.222E+01 e 0 155 154 158 #VC 1.00000 #SUP 7.65
80 6.861 7.061 128.907 1 U 1.911E+03 1.386E+01 e 0 967 968 973 #VC 1.00000 #SUP 4.39
81 6.635 6.804 128.912 1 U 2.897E+02 1.346E+01 e 0 311 154 158 #VC 1.00000 #SUP 2.15
82 0.393 6.804 128.861 1 U 4.077E+02 1.312E+01 e 0 1232 154 158 #VC 1.00000 #SUP 6.18
83 7.895 6.800 128.917 1 U 6.469E+02 1.107E+01 e 0 147 154 158 #VC 1.00000 #SUP 7.75
84 6.960 6.801 128.897 1 U 4.042E+02 1.265E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
85 4.267 6.801 128.907 1 U 4.709E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
86 3.928 6.803 128.927 1 U 1.346E+02 1.156E+01 e 0 106 154 158 #VC 1.00000 #SUP 3.91
87 2.992 6.803 128.877 1 U 1.585E+03 1.104E+01 e 0 152 154 158 #VC 1.00000 #SUP 7.15
88 0.778 6.803 128.897 1 U 3.299E+02 1.104E+01 e 0 1294 154 158 #VC 1.00000 #SUP 2.68
89 0.051 6.801 128.871 1 U 9.333E+01 1.360E+01 e 0 1502 154 158 #VC 1.00000 #SUP 9.41
90 5.916 7.065 128.798 1 U 5.605E+01 1.104E+01 e 0 870 968 973 #VC 1.00000 #SUP 9.30
91 5.272 7.063 128.798 1 U 1.990E+02 1.104E+01 e 0 962 968 973 #VC 1.00000 #SUP 6.75
92 2.764 7.063 128.763 1 U 4.448E+02 1.104E+01 e 0 965 968 973 #VC 1.00000 #SUP 5.17
93 0.773 7.065 128.773 1 U 1.018E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
94 -0.395 7.065 128.763 1 U 4.720E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
95 9.151 7.060 128.808 1 U 3.917E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
96 3.120 7.061 128.773 1 U 4.261E+02 1.104E+01 e 0 964 968 973 #VC 1.00000 #SUP 4.75
97 2.433 7.061 128.717 1 U 7.071E+01 1.104E+01 e 0 873 968 973 #VC 1.00000 #SUP 4.12
98 2.315 7.062 128.748 1 U 5.855E+01 1.104E+01 e 0 872 968 973 #VC 1.00000 #SUP 5.60
99 1.784 7.061 128.813 1 U 1.364E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
100 1.307 7.059 128.743 1 U 3.923E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
101 1.001 7.061 128.768 1 U 3.536E+02 1.104E+01 e 0 1517 968 973 #VC 1.00000 #SUP 7.31
102 2.745 6.803 128.829 1 U 3.238E+02 1.127E+01 e 0 1298 154 158 #VC 1.00000 #SUP 2.00
103 0.595 6.801 128.748 1 U 1.314E+02 1.104E+01 e 0 182 154 158 #VC 1.00000 #SUP 7.08
104 4.420 7.064 128.730 1 U 6.560E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
105 3.441 7.060 128.649 1 U 1.142E+02 1.104E+01 e 0 1274 968 973 #VC 1.00000 #SUP 1.01
106 1.003 6.811 128.715 1 U 1.422E+02 1.104E+01 e 0 1517 967 971 #VC 1.00000 #SUP 6.69
107 5.982 6.840 128.391 1 U 6.344E+02 1.731E+01 e 0 976 967 971 #VC 1.00000 #SUP 1.30
108 4.005 6.842 128.346 1 U 7.992E+01 1.558E+01 e 0 1158 1180 1184 #VC 1.00000 #SUP 5.10
109 0.982 6.842 128.346 1 U 1.114E+02 1.613E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
110 0.517 6.841 128.427 1 U 3.108E+02 1.705E+01 e 0 848 967 971 #VC 1.00000 #SUP 4.82
111 8.630 6.837 128.391 1 U 6.857E+01 1.659E+01 e 0 1009 967 971 #VC 1.00000 #SUP 8.33
112 4.631 6.843 128.196 1 U 1.865E+02 1.646E+01 e 0 1175 1180 1184 #VC 1.00000 #SUP 5.31
113 2.762 6.845 128.262 1 U 2.622E+02 1.549E+01 e 0 965 1180 1184 #VC 1.00000 #SUP 2.93
114 1.551 6.845 128.232 1 U 3.233E+02 1.656E+01 e 0 1265 1180 1184 #VC 1.00000 #SUP 10.00
115 1.748 6.842 128.323 1 U 6.812E+02 1.642E+01 e 0 1277 1180 1184 #VC 1.00000 #SUP 5.57
116 7.463 6.836 128.333 1 U 6.320E+01 1.650E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
117 8.209 6.842 128.154 1 U 1.737E+02 1.635E+01 e 0 1173 1180 1184 #VC 1.00000 #SUP 5.50
118 4.954 6.840 128.139 1 U 7.704E+01 1.478E+01 e 0 986 1180 1184 #VC 1.00000 #SUP 3.78
119 3.128 6.842 128.179 1 U 1.488E+02 1.480E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
120 2.497 6.841 128.189 1 U 3.128E+02 1.546E+01 e 0 1177 1180 1184 #VC 1.00000 #SUP 5.00
121 5.943 6.227 127.307 1 U 9.095E+02 1.104E+01 e 0 1477 155 160 #VC 1.00000 #SUP 2.46
122 0.563 6.227 127.201 1 U 5.650E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
123 0.078 6.227 127.216 1 U 1.721E+02 1.104E+01 e 0 1502 155 160 #VC 1.00000 #SUP 6.10
124 2.735 6.229 127.082 1 U 9.536E+01 1.104E+01 e 0 1298 155 160 #VC 1.00000 #SUP 3.87
125 0.375 6.229 127.062 1 U 2.122E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
126 6.793 6.230 126.979 1 U 1.168E+03 1.226E+01 e 0 154 155 160 #VC 1.00000 #SUP 7.65
127 4.285 6.233 127.009 1 U 4.614E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
128 0.774 6.230 127.034 1 U 3.065E+02 1.104E+01 e 0 1294 155 160 #VC 1.00000 #SUP 4.29
129 2.999 6.232 126.860 1 U 3.336E+01 1.104E+01 e 0 152 155 160 #VC 1.00000 #SUP 5.25
130 6.635 6.226 126.890 1 U 6.788E+01 1.476E+01 e 0 311 155 160 #VC 1.00000 #SUP 2.94
131 1.004 6.227 126.906 1 U 1.369E+02 1.209E+01 e 0 1293 155 160 #VC 1.00000 #SUP 3.30
132 3.992 5.974 126.007 1 U 2.231E+01 1.130E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
133 6.833 5.992 125.933 1 U 1.767E+03 1.286E+01 e 0 967 976 975 #VC 1.00000 #SUP 1.30
134 5.180 5.992 126.019 1 U 6.006E+01 1.327E+01 e 0 1011 976 975 #VC 1.00000 #SUP 5.59
135 2.984 5.992 125.943 1 U 3.528E+02 1.293E+01 e 0 1329 976 975 #VC 1.00000 #SUP 3.68
136 1.748 5.992 125.923 1 U 7.963E+02 1.212E+01 e 0 1013 976 975 #VC 1.00000 #SUP 5.60
137 0.971 5.992 125.943 1 U 2.654E+02 1.332E+01 e 0 1014 976 975 #VC 1.00000 #SUP 5.13
138 0.421 5.992 125.912 1 U 6.591E+02 1.246E+01 e 0 1015 976 975 #VC 1.00000 #SUP 6.33
139 1.575 5.982 125.868 1 U 7.881E+01 1.179E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
140 8.631 5.991 125.748 1 U 5.853E+01 1.359E+01 e 0 1009 976 975 #VC 1.00000 #SUP 7.02
141 7.952 5.985 125.814 1 U 1.902E+01 1.172E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
142 -0.619 5.972 125.773 1 U 4.484E+01 1.237E+01 e 0 1359 976 975 #VC 1.00000 #SUP 3.16
143 6.640 7.508 125.382 1 U 4.976E+01 1.108E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
144 6.212 5.953 125.442 1 U 7.981E+02 1.104E+01 e 0 155 1477 1476 #VC 1.00000 #SUP 2.46
145 0.076 5.952 125.483 1 U 5.021E+02 1.104E+01 e 0 1360 1477 1476 #VC 1.00000 #SUP 3.28
146 8.177 7.510 125.303 1 U 1.571E+02 1.136E+01 e 0 1503 371 366 #VC 1.00000 #SUP 4.79
147 7.318 7.507 125.268 1 U 7.230E+01 1.139E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
148 3.823 7.507 125.246 1 U 1.409E+02 1.104E+01 e 0 1352 371 366 #VC 1.00000 #SUP 7.33
149 8.327 7.506 125.268 1 U 6.056E+01 1.104E+01 e 0 303 371 366 #VC 1.00000 #SUP 7.59
150 1.586 7.499 125.344 1 U 3.616E+01 1.170E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
151 10.373 7.508 125.170 1 U 1.254E+03 1.167E+01 e 0 375 371 366 #VC 1.00000 #SUP 4.88
152 8.489 7.507 125.180 1 U 1.027E+03 1.272E+01 e 0 358 371 366 #VC 1.00000 #SUP 6.61
153 6.979 7.507 125.195 1 U 3.829E+02 1.276E+01 e 0 310 371 366 #VC 1.00000 #SUP 7.94
154 4.306 7.507 125.215 1 U 6.900E+01 1.155E+01 e 0 360 371 366 #VC 1.00000 #SUP 6.04
155 3.663 7.508 125.205 1 U 3.505E+02 1.287E+01 e 0 362 371 366 #VC 1.00000 #SUP 5.44
156 3.178 7.510 125.175 1 U 5.616E+02 1.184E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
157 2.781 7.510 125.170 1 U 1.871E+02 1.322E+01 e 0 308 371 366 #VC 1.00000 #SUP 8.69
158 1.771 7.510 125.119 1 U 7.055E+01 1.154E+01 e 0 1354 371 366 #VC 1.00000 #SUP 5.62
159 1.017 7.510 125.200 1 U 2.163E+02 1.279E+01 e 0 1355 371 366 #VC 1.00000 #SUP 7.73
160 0.074 7.510 125.205 1 U 7.935E+01 1.138E+01 e 0 1360 371 366 #VC 1.00000 #SUP 5.62
161 -0.612 7.508 125.200 1 U 1.552E+02 1.301E+01 e 0 1359 371 366 #VC 1.00000 #SUP 7.18
162 1.589 7.505 125.139 1 U 1.401E+01 1.152E+01 e 0 1358 371 366 #VC 1.00000 #SUP 5.14
163 0.540 7.506 125.106 1 U 3.796E+01 1.104E+01 e 0 724 371 366 #VC 1.00000 #SUP 4.60
164 4.307 7.511 124.957 1 U 5.382E+01 1.331E+01 e 0 360 371 366 #VC 1.00000 #SUP 6.04
165 9.925 6.894 122.845 1 U 1.842E+03 1.104E+01 e 0 771 767 762 #VC 1.00000 #SUP 5.70
166 7.246 6.893 122.870 1 U 8.427E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
167 6.188 6.899 122.814 1 U 4.382E+01 1.104E+01 e 0 768 767 762 #VC 1.00000 #SUP 6.94
168 4.316 6.894 122.804 1 U 8.375E+02 1.104E+01 e 0 756 767 762 #VC 1.00000 #SUP 7.87
169 2.280 6.895 122.865 1 U 3.565E+02 1.104E+01 e 0 758 767 762 #VC 1.00000 #SUP 6.64
170 1.907 6.894 122.845 1 U 2.850E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
171 1.014 6.894 122.850 1 U 2.875E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
172 3.513 6.893 122.736 1 U 8.058E+01 1.152E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
173 2.768 6.895 122.782 1 U 1.508E+02 1.189E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
174 7.652 6.960 121.497 1 U 4.162E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
175 7.224 6.965 121.402 1 U 1.714E+03 1.104E+01 e 0 774 775 773 #VC 1.00000 #SUP 3.00
176 6.787 6.966 121.468 1 U 1.572E+03 1.104E+01 e 0 772 775 773 #VC 1.00000 #SUP 1.93
177 6.195 6.961 121.369 1 U 8.618E+01 1.104E+01 e 0 768 775 773 #VC 1.00000 #SUP 4.67
178 4.158 6.962 121.288 1 U 8.003E+01 1.104E+01 e 0 1431 775 773 #VC 1.00000 #SUP 2.73
179 7.295 7.515 121.015 1 U 4.190E+02 1.255E+01 e 0 378 379 377 #VC 1.00000 #SUP 2.00
180 7.008 7.512 121.111 1 U 2.852E+02 1.193E+01 e 0 376 379 377 #VC 1.00000 #SUP 2.00
181 2.397 7.514 120.995 1 U 1.135E+02 1.104E+01 e 0 803 379 377 #VC 1.00000 #SUP 6.76
182 2.782 7.515 120.861 1 U 4.355E+01 1.104E+01 e 0 1412 379 377 #VC 1.00000 #SUP 1.50
183 2.233 7.516 120.897 1 U 8.815E+01 1.154E+01 e 0 804 379 377 #VC 1.00000 #SUP 5.03
184 0.939 7.511 120.902 1 U 3.613E+01 1.104E+01 e 0 1014 379 377 #VC 1.00000 #SUP 2.76
185 0.518 7.514 120.849 1 U 6.260E+01 1.105E+01 e 0 848 379 377 #VC 1.00000 #SUP 2.81
186 1.221 5.923 119.262 1 U 5.457E+01 1.104E+01 e 0 640 876 881 #VC 1.00000 #SUP 2.98
187 8.811 5.915 119.257 1 U 2.306E+02 1.205E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
188 6.705 5.917 119.302 1 U 1.740E+02 1.191E+01 e 0 875 876 881 #VC 1.00000 #SUP 4.73
189 6.470 5.920 119.282 1 U 9.135E+01 1.552E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
190 5.270 5.914 119.292 1 U 1.007E+02 1.129E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
191 2.425 5.915 119.277 1 U 1.618E+02 1.116E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
192 9.223 5.911 119.231 1 U 1.734E+02 1.755E+01 e 0 868 876 881 #VC 1.00000 #SUP 4.85
193 2.310 5.912 119.312 1 U 1.062E+02 1.552E+01 e 0 872 876 881 #VC 1.00000 #SUP 3.40
194 1.003 7.241 118.974 1 U 7.431E+01 1.104E+01 e 0 759 1488 1487 #VC 1.00000 #SUP 6.77
195 3.663 7.245 118.840 1 U 1.388E+02 1.104E+01 e 0 362 1488 1487 #VC 1.00000 #SUP 5.18
196 0.748 7.247 118.845 1 U 5.407E+01 1.104E+01 e 0 845 1488 1487 #VC 1.00000 #SUP 3.76
197 0.556 7.246 118.819 1 U 3.688E+01 1.104E+01 e 0 724 1488 1487 #VC 1.00000 #SUP 10.00
198 7.019 7.243 118.667 1 U 2.500E+02 1.104E+01 e 0 376 1488 1487 #VC 1.00000 #SUP 2.92
199 6.025 7.241 118.777 1 U 9.951E+01 1.104E+01 e 0 738 1488 1487 #VC 1.00000 #SUP 10.00
200 5.886 7.243 118.797 1 U 4.653E+01 1.104E+01 e 0 715 1488 1487 #VC 1.00000 #SUP 8.16
201 4.308 7.241 118.792 1 U 6.792E+01 1.104E+01 e 0 360 1488 1487 #VC 1.00000 #SUP 5.77
202 3.165 7.241 118.771 1 U 1.834E+02 1.104E+01 e 0 363 1488 1487 #VC 1.00000 #SUP 4.92
203 1.904 7.242 118.782 1 U 1.711E+02 1.104E+01 e 0 717 1488 1487 #VC 1.00000 #SUP 10.00
204 1.550 7.242 118.792 1 U 1.567E+02 1.104E+01 e 0 846 1488 1487 #VC 1.00000 #SUP 5.07
205 8.089 7.243 118.632 1 U 7.490E+01 1.104E+01 e 0 754 1488 1487 #VC 1.00000 #SUP 8.21
206 9.779 7.238 118.592 1 U 3.380E+01 1.150E+01 e 0 736 1488 1487 #VC 1.00000 #SUP 10.00
207 4.325 7.323 118.438 1 U 8.932E+01 1.104E+01 e 0 756 396 392 #VC 1.00000 #SUP 0.72
208 7.264 6.209 118.309 1 U 3.575E+01 1.143E+01 e 0 1488 768 764 #VC 1.00000 #SUP 7.39
209 6.953 6.204 118.360 1 U 1.234E+02 1.139E+01 e 0 775 768 764 #VC 1.00000 #SUP 4.67
210 6.753 7.336 118.231 1 U 1.934E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
211 3.402 7.324 118.200 1 U 3.706E+02 1.104E+01 e 0 389 396 392 #VC 1.00000 #SUP 5.37
212 0.933 7.323 118.195 1 U 1.891E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
213 0.691 7.328 118.185 1 U 2.307E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
214 8.848 7.322 118.205 1 U 7.985E+01 1.196E+01 e 0 383 396 392 #VC 1.00000 #SUP 6.13
215 7.976 7.320 118.226 1 U 1.998E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
216 4.313 6.210 118.185 1 U 3.316E+01 1.387E+01 e 0 360 768 764 #VC 1.00000 #SUP 6.39
217 6.780 6.207 118.276 1 U 6.523E+02 1.298E+01 e 0 772 768 764 #VC 1.00000 #SUP 3.96
218 2.771 6.209 118.152 1 U 7.912E+01 1.250E+01 e 0 1412 768 764 #VC 1.00000 #SUP 1.19
219 2.285 6.209 118.072 1 U 7.368E+01 1.298E+01 e 0 758 768 764 #VC 1.00000 #SUP 6.65
220 1.007 6.210 118.137 1 U 1.294E+02 1.347E+01 e 0 759 768 764 #VC 1.00000 #SUP 5.55
221 7.503 6.777 117.752 1 U 3.547E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
222 6.955 6.793 117.695 1 U 4.047E+02 1.218E+01 e 0 775 772 769 #VC 1.00000 #SUP 1.93
223 1.617 6.788 117.725 1 U 4.494E+01 1.104E+01 e 0 1404 772 769 #VC 1.00000 #SUP 4.79
224 2.776 6.796 117.617 1 U 9.469E+01 1.215E+01 e 0 1412 772 769 #VC 1.00000 #SUP 5.73
225 6.198 6.799 117.473 1 U 7.166E+02 1.158E+01 e 0 768 772 769 #VC 1.00000 #SUP 3.96
226 7.673 6.791 117.488 1 U 5.732E+01 1.104E+01 e 0 814 772 769 #VC 1.00000 #SUP 3.11
227 0.962 5.731 116.231 1 U 2.382E+02 1.621E+01 e 0 1378 1495 1496 #VC 1.00000 #SUP 1.50
228 9.203 5.734 116.179 1 U 1.279E+02 1.458E+01 e 0 328 1495 1496 #VC 1.00000 #SUP 6.21
229 6.981 5.733 116.123 1 U 2.412E+02 1.501E+01 e 0 310 1495 1496 #VC 1.00000 #SUP 6.58
230 4.401 5.736 116.089 1 U 1.152E+02 1.334E+01 e 0 305 1495 1496 #VC 1.00000 #SUP 7.12
231 3.755 5.732 116.194 1 U 2.630E+02 1.416E+01 e 0 330 1495 1496 #VC 1.00000 #SUP 4.87
232 3.188 5.734 116.108 1 U 4.639E+02 1.291E+01 e 0 333 1495 1496 #VC 1.00000 #SUP 6.57
233 6.637 5.734 116.085 1 U 3.338E+02 1.573E+01 e 0 311 1495 1496 #VC 1.00000 #SUP 4.20
234 0.960 5.732 116.070 1 U 2.338E+02 1.374E+01 e 0 1378 1495 1496 #VC 1.00000 #SUP 1.50
235 9.230 6.745 115.891 1 U 4.497E+01 1.319E+01 e 0 984 992 997 #VC 1.00000 #SUP 5.71
236 7.779 6.748 115.791 1 U 1.421E+02 1.155E+01 e 0 933 992 997 #VC 1.00000 #SUP 5.39
237 4.713 6.748 115.807 1 U 4.152E+01 1.251E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
238 8.814 6.748 115.727 1 U 4.564E+02 1.120E+01 e 0 893 992 997 #VC 1.00000 #SUP 6.29
239 6.475 6.747 115.732 1 U 2.735E+03 1.174E+01 e 0 991 992 997 #VC 1.00000 #SUP 4.63
240 5.473 6.748 115.715 1 U 2.121E+02 1.146E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
241 4.018 6.743 115.721 1 U 1.907E+02 1.357E+01 e 0 1158 992 997 #VC 1.00000 #SUP 10.00
242 3.818 6.747 115.732 1 U 1.474E+02 1.104E+01 e 0 1169 992 997 #VC 1.00000 #SUP 8.03
243 1.783 6.747 115.752 1 U 1.053E+03 1.275E+01 e 0 937 992 997 #VC 1.00000 #SUP 5.28
244 1.212 6.747 115.767 1 U 5.470E+02 1.208E+01 e 0 896 992 997 #VC 1.00000 #SUP 3.57
245 0.602 6.747 115.732 1 U 1.619E+02 1.202E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
246 8.199 6.735 115.787 1 U 4.713E+01 1.113E+01 e 0 1173 992 997 #VC 1.00000 #SUP 9.22
247 5.905 6.749 115.679 1 U 1.262E+02 1.277E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
248 4.966 6.749 115.658 1 U 5.143E+01 1.241E+01 e 0 986 992 997 #VC 1.00000 #SUP 4.31
249 4.421 6.744 115.577 1 U 5.058E+01 1.213E+01 e 0 935 992 997 #VC 1.00000 #SUP 4.99
250 5.267 6.748 115.479 1 U 6.976E+01 1.104E+01 e 0 962 992 997 #VC 1.00000 #SUP 7.52
251 0.388 6.652 115.453 1 U 5.804E+01 1.317E+01 e 0 231 311 316 #VC 1.00000 #SUP 3.20
252 3.167 6.654 115.396 1 U 2.044E+02 1.271E+01 e 0 173 311 316 #VC 1.00000 #SUP 3.36
253 6.980 6.652 115.385 1 U 3.971E+03 1.518E+01 e 0 310 311 316 #VC 1.00000 #SUP 5.17
254 6.208 6.651 115.360 1 U 9.657E+01 1.259E+01 e 0 155 311 316 #VC 1.00000 #SUP 2.94
255 5.720 6.650 115.401 1 U 1.593E+02 1.241E+01 e 0 1495 311 316 #VC 1.00000 #SUP 4.20
256 4.389 6.648 115.360 1 U 5.643E+01 1.272E+01 e 0 305 311 316 #VC 1.00000 #SUP 5.70
257 4.068 6.650 115.406 1 U 1.051E+02 1.297E+01 e 0 1375 311 316 #VC 1.00000 #SUP 7.14
258 2.731 6.652 115.385 1 U 2.197E+02 1.329E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
259 1.772 6.650 115.411 1 U 4.314E+02 1.305E+01 e 0 1354 311 316 #VC 1.00000 #SUP 7.93
260 0.981 6.651 115.390 1 U 1.738E+02 1.382E+01 e 0 1378 311 316 #VC 1.00000 #SUP 6.10
261 0.072 6.651 115.365 1 U 4.324E+02 1.290E+01 e 0 1360 311 316 #VC 1.00000 #SUP 7.89
262 -0.618 6.650 115.375 1 U 8.532E+01 1.266E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
263 7.495 6.654 115.292 1 U 3.351E+01 1.731E+01 e 0 371 311 316 #VC 1.00000 #SUP 3.33
264 7.660 6.648 115.297 1 U 5.714E+01 1.364E+01 e 0 1373 311 316 #VC 1.00000 #SUP 8.16
265 -0.617 6.654 115.163 1 U 8.346E+01 1.402E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
266 -0.613 7.017 114.984 1 U 1.559E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
267 7.970 7.012 114.994 1 U 2.598E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
268 7.498 7.019 114.885 1 U 5.484E+02 1.104E+01 e 0 379 376 373 #VC 1.00000 #SUP 2.00
269 7.295 7.020 114.875 1 U 2.082E+02 1.222E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
270 5.985 7.019 114.890 1 U 1.419E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
271 2.982 7.021 114.885 1 U 1.810E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
272 2.809 7.020 114.885 1 U 9.030E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
273 1.751 7.018 114.885 1 U 3.305E+01 1.200E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
274 0.958 7.020 114.900 1 U 4.372E+02 1.160E+01 e 0 1014 376 373 #VC 1.00000 #SUP 4.43
275 0.514 7.020 114.855 1 U 1.547E+02 1.299E+01 e 0 848 376 373 #VC 1.00000 #SUP 6.72
276 4.000 7.027 114.746 1 U 5.490E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
277 3.837 7.020 114.648 1 U 5.235E+01 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
278 2.744 5.500 114.246 1 U 5.232E+01 2.053E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
279 7.620 5.485 114.226 1 U 1.325E+02 2.139E+01 e 0 580 619 624 #VC 1.00000 #SUP 7.43
280 0.643 5.490 114.076 1 U 5.545E+02 2.002E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
281 -0.058 5.490 114.112 1 U 5.543E+02 2.043E+01 e 0 586 619 624 #VC 1.00000 #SUP 7.45
282 4.917 5.487 114.097 1 U 5.933E+01 2.310E+01 e 0 1471 619 624 #VC 1.00000 #SUP 8.25
283 4.120 5.485 114.076 1 U 1.363E+02 2.222E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
284 1.919 5.490 114.046 1 U 1.727E+03 2.251E+01 e 0 525 619 624 #VC 1.00000 #SUP 7.60
285 1.641 5.490 114.031 1 U 9.807E+02 2.384E+01 e 0 1467 619 624 #VC 1.00000 #SUP 5.59
286 6.743 5.492 113.958 1 U 3.075E+02 2.450E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
287 1.206 5.491 113.921 1 U 3.177E+02 2.051E+01 e 0 896 619 624 #VC 1.00000 #SUP 3.54
288 8.729 5.490 113.912 1 U 3.862E+02 2.269E+01 e 0 521 619 624 #VC 1.00000 #SUP 10.00
289 7.618 5.483 113.983 1 U 1.475E+02 2.192E+01 e 0 580 619 624 #VC 1.00000 #SUP 7.43
290 6.404 5.490 114.034 1 U 2.685E+03 2.156E+01 e 0 618 619 624 #VC 1.00000 #SUP 4.60
291 2.675 5.483 114.028 1 U 1.054E+02 2.360E+01 e 0 615 619 624 #VC 1.00000 #SUP 3.87
292 9.077 5.481 114.003 1 U 6.073E+01 1.893E+01 e 0 611 619 624 #VC 1.00000 #SUP 5.13
293 0.515 7.306 111.181 1 U 1.010E+02 1.104E+01 e 0 848 378 374 #VC 1.00000 #SUP 2.25
294 6.779 7.237 111.211 1 U 1.995E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
295 -0.612 7.309 111.097 1 U 1.969E+02 1.104E+01 e 0 1359 378 374 #VC 1.00000 #SUP 4.52
296 9.928 7.241 111.102 1 U 3.817E+02 1.104E+01 e 0 771 774 770 #VC 1.00000 #SUP 3.49
297 6.958 7.241 111.163 1 U 1.564E+03 1.321E+01 e 0 775 774 770 #VC 1.00000 #SUP 3.00
298 10.373 7.310 111.034 1 U 2.429E+02 1.104E+01 e 0 375 378 374 #VC 1.00000 #SUP 2.72
299 7.495 7.310 111.049 1 U 1.033E+03 1.104E+01 e 0 379 378 374 #VC 1.00000 #SUP 2.00
300 7.003 7.310 111.044 1 U 6.675E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
301 6.193 7.312 111.014 1 U 1.305E+02 1.104E+01 e 0 768 378 374 #VC 1.00000 #SUP 3.22
302 3.823 7.311 111.014 1 U 2.646E+02 1.104E+01 e 0 1352 378 374 #VC 1.00000 #SUP 4.59
303 2.781 7.311 111.019 1 U 3.409E+02 1.104E+01 e 0 1412 378 374 #VC 1.00000 #SUP 6.38
304 2.396 7.309 111.014 1 U 7.618E+01 1.104E+01 e 0 803 378 374 #VC 1.00000 #SUP 3.92
305 2.254 7.311 111.049 1 U 5.231E+01 1.104E+01 e 0 804 378 374 #VC 1.00000 #SUP 2.31
306 1.610 7.310 111.049 1 U 8.817E+01 1.104E+01 e 0 1404 378 374 #VC 1.00000 #SUP 5.06
307 0.990 7.312 110.978 1 U 1.212E+02 1.104E+01 e 0 0 0 0 #VC 1.00000 #SUP 1.00
;
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-aromatic . . 9803.922 Hz . . . 8.59693 . . 30531 3
2 . . C 13 C-aromatic . . 5809.383 Hz . . . 139.99580 . . 30531 3
3 . . H 1 H . . 9803.922 Hz . . . 11.70160 . . 30531 3
stop_
save_