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 34560
_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 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 8
_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 : cyana
# File generated: 2017 January 10th, 18:37:31
#ATNOSCANDIDKIND hHC
#ATNOSCANDIDTYPE noesy_aromatic
1 9.203 7.484 132.937 1 U 3.694E+03 2.208E+02 e 0 13 7321 5774 #VC 1.00000 #SUP 6.03
2 6.920 7.482 132.957 1 U 4.138E+02 2.670E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
3 4.997 7.482 132.995 1 U 1.358E+04 2.075E+02 e 0 7236 7321 5774 #VC 1.00000 #SUP 5.78
4 2.784 7.481 132.972 1 U 1.174E+04 2.295E+02 e 0 7254 7321 5774 #VC 1.00000 #SUP 6.21
5 0.668 7.482 132.977 1 U 1.316E+04 2.307E+02 e 0 8242 7321 5774 #VC 1.00000 #SUP 5.94
6 8.956 7.480 132.947 1 U 3.135E+03 1.937E+02 e 0 6262 7321 5774 #VC 1.00000 #SUP 5.09
7 6.621 7.481 132.987 1 U 1.216E+04 1.937E+02 e 0 7747 7321 5774 #VC 1.00000 #SUP 7.71
8 4.709 7.477 133.018 1 U 2.887E+03 1.937E+02 e 0 8204 7321 5774 #VC 1.00000 #SUP 5.63
9 1.614 7.480 132.995 1 U 3.161E+03 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
10 4.160 7.489 132.900 1 U 1.433E+03 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
11 3.881 7.482 132.880 1 U 1.896E+03 2.051E+02 e 0 4346 7321 5774 #VC 1.00000 #SUP 1.99
12 0.925 7.476 132.859 1 U 9.455E+02 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
13 6.731 7.539 131.943 1 U 8.424E+02 2.396E+02 e 0 7315 7311 5744 #VC 1.00000 #SUP 3.47
14 4.418 7.539 131.928 1 U 8.016E+03 2.753E+02 e 0 7308 7311 5744 #VC 1.00000 #SUP 5.10
15 3.990 7.540 131.923 1 U 6.564E+02 2.693E+02 e 0 6480 7311 5744 #VC 1.00000 #SUP 4.39
16 1.674 7.535 131.903 1 U 4.424E+03 2.970E+02 e 0 4312 7311 5744 #VC 1.00000 #SUP 1.50
17 7.500 6.727 131.893 1 U 6.155E+03 2.637E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
18 3.012 6.726 131.887 1 U 1.455E+04 2.658E+02 e 0 7310 7315 5755 #VC 1.00000 #SUP 5.41
19 2.860 6.726 131.898 1 U 1.426E+04 2.637E+02 e 0 5674 7315 5755 #VC 1.00000 #SUP 4.50
20 5.204 6.723 131.933 1 U 1.007E+03 2.364E+02 e 0 5669 7315 5755 #VC 1.00000 #SUP 2.59
21 3.978 6.724 131.903 1 U 7.418E+03 2.243E+02 e 0 6480 7315 5755 #VC 1.00000 #SUP 10.00
22 3.371 6.725 131.933 1 U 1.107E+04 2.270E+02 e 0 5675 7315 5755 #VC 1.00000 #SUP 5.07
23 8.271 7.546 131.815 1 U 1.258E+03 2.033E+02 e 0 6105 7311 5744 #VC 1.00000 #SUP 6.93
24 3.959 7.547 131.841 1 U 4.020E+02 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
25 3.028 7.537 131.876 1 U 1.030E+04 2.861E+02 e 0 7310 7311 5744 #VC 1.00000 #SUP 4.92
26 2.284 7.538 131.881 1 U 1.006E+04 2.360E+02 e 0 7309 7311 5744 #VC 1.00000 #SUP 5.22
27 2.118 7.541 131.886 1 U 1.215E+03 2.334E+02 e 0 7230 7311 5744 #VC 1.00000 #SUP 1.58
28 0.890 7.537 131.800 1 U 1.575E+04 2.321E+02 e 0 7437 7311 5744 #VC 1.00000 #SUP 2.96
29 0.623 7.537 131.841 1 U 5.487E+03 2.342E+02 e 0 7075 7311 5744 #VC 1.00000 #SUP 6.13
30 0.329 7.537 131.851 1 U 3.104E+03 2.174E+02 e 0 7074 7311 5744 #VC 1.00000 #SUP 4.97
31 -0.063 7.536 131.780 1 U 3.262E+03 2.563E+02 e 0 7185 7311 5744 #VC 1.00000 #SUP 3.16
32 2.474 7.365 131.744 1 U 3.406E+03 1.977E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
33 8.982 7.362 131.749 1 U 4.500E+03 2.304E+02 e 0 3448 7318 5767 #VC 1.00000 #SUP 4.94
34 5.896 7.200 131.770 1 U 7.381E+03 2.401E+02 e 0 5672 7317 5761 #VC 1.00000 #SUP 6.36
35 5.186 7.198 131.790 1 U 2.885E+03 2.545E+02 e 0 3905 7317 5761 #VC 1.00000 #SUP 6.35
36 8.405 7.112 131.734 1 U 1.129E+03 2.376E+02 e 0 4578 7319 5779 #VC 1.00000 #SUP 4.80
37 8.246 6.729 131.861 1 U 9.723E+02 2.835E+02 e 0 6105 7315 5755 #VC 1.00000 #SUP 5.00
38 7.976 6.727 131.851 1 U 6.775E+03 2.682E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
39 0.623 6.728 131.815 1 U 1.037E+04 2.823E+02 e 0 7075 7315 5755 #VC 1.00000 #SUP 3.37
40 0.327 6.729 131.861 1 U 1.046E+03 2.567E+02 e 0 7074 7315 5755 #VC 1.00000 #SUP 2.96
41 7.025 7.537 131.659 1 U 3.579E+04 2.175E+02 e 0 7312 7311 5744 #VC 1.00000 #SUP 3.59
42 5.009 7.366 131.631 1 U 1.164E+03 2.439E+02 e 0 3798 7318 5767 #VC 1.00000 #SUP 5.35
43 1.658 7.365 131.667 1 U 6.383E+03 2.559E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
44 9.717 7.361 131.652 1 U 6.310E+02 2.581E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
45 5.198 7.363 131.687 1 U 2.048E+03 2.551E+02 e 0 5669 7318 5767 #VC 1.00000 #SUP 4.62
46 3.404 7.363 131.636 1 U 7.275E+03 2.590E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
47 6.655 7.202 131.601 1 U 2.097E+03 2.286E+02 e 0 7306 7317 5761 #VC 1.00000 #SUP 5.29
48 1.583 7.201 131.601 1 U 1.159E+04 2.408E+02 e 0 7071 7314 5748 #VC 1.00000 #SUP 4.75
49 0.391 7.203 131.591 1 U 1.376E+03 2.413E+02 e 0 7186 7314 5748 #VC 1.00000 #SUP 5.59
50 8.882 7.200 131.723 1 U 1.049E+04 2.558E+02 e 0 45 7317 5761 #VC 1.00000 #SUP 5.47
51 2.925 7.199 131.697 1 U 2.125E+04 2.680E+02 e 0 7973 7317 5761 #VC 1.00000 #SUP 4.64
52 2.685 7.199 131.610 1 U 2.097E+03 2.668E+02 e 0 5658 7317 5761 #VC 1.00000 #SUP 3.00
53 2.111 7.199 131.636 1 U 6.305E+02 2.593E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
54 1.406 7.200 131.621 1 U 1.339E+04 3.149E+02 e 0 7181 7317 5761 #VC 1.00000 #SUP 0.51
55 0.957 7.199 131.662 1 U 2.293E+04 2.639E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
56 4.142 7.188 131.712 1 U 2.427E+03 3.182E+02 e 0 7277 7314 5748 #VC 1.00000 #SUP 5.19
57 3.432 7.108 131.677 1 U 9.072E+03 2.772E+02 e 0 5665 7319 5779 #VC 1.00000 #SUP 5.00
58 2.931 7.108 131.616 1 U 1.047E+04 2.631E+02 e 0 5664 7319 5779 #VC 1.00000 #SUP 5.23
59 1.880 7.107 131.601 1 U 4.932E+03 2.597E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
60 7.257 6.728 131.718 1 U 8.512E+03 2.548E+02 e 0 7342 7315 5755 #VC 1.00000 #SUP 2.70
61 7.103 6.727 131.718 1 U 3.796E+04 2.528E+02 e 0 7316 7315 5755 #VC 1.00000 #SUP 3.34
62 7.914 7.469 131.508 1 U 6.223E+03 1.937E+02 e 0 3572 7313 5749 #VC 1.00000 #SUP 7.88
63 7.192 7.469 131.523 1 U 1.184E+05 2.961E+02 e 0 7314 7313 5749 #VC 1.00000 #SUP 6.53
64 4.801 7.470 131.539 1 U 5.031E+03 1.937E+02 e 0 6586 7313 5749 #VC 1.00000 #SUP 6.94
65 4.427 7.468 131.508 1 U 1.212E+04 2.048E+02 e 0 7308 7313 5749 #VC 1.00000 #SUP 2.94
66 4.122 7.470 131.473 1 U 2.262E+03 1.939E+02 e 0 7277 7313 5749 #VC 1.00000 #SUP 6.09
67 3.847 7.470 131.463 1 U 9.188E+03 2.592E+02 e 0 5677 7313 5749 #VC 1.00000 #SUP 5.35
68 3.413 7.470 131.513 1 U 7.865E+03 1.937E+02 e 0 5678 7313 5749 #VC 1.00000 #SUP 5.75
69 2.982 7.469 131.564 1 U 2.072E+03 1.937E+02 e 0 4352 7313 5749 #VC 1.00000 #SUP 2.00
70 1.592 7.471 131.503 1 U 9.429E+03 2.166E+02 e 0 7071 7313 5749 #VC 1.00000 #SUP 3.64
71 0.893 7.470 131.559 1 U 5.398E+03 1.937E+02 e 0 7178 7313 5749 #VC 1.00000 #SUP 2.96
72 0.410 7.471 131.559 1 U 1.685E+03 1.937E+02 e 0 7186 7313 5749 #VC 1.00000 #SUP 4.36
73 -0.068 7.469 131.518 1 U 4.937E+03 1.937E+02 e 0 7185 7313 5749 #VC 1.00000 #SUP 4.00
74 0.630 7.365 131.554 1 U 6.282E+03 2.327E+02 e 0 7970 7318 5767 #VC 1.00000 #SUP 2.37
75 3.842 7.361 131.584 1 U 2.334E+03 2.629E+02 e 0 7184 7318 5767 #VC 1.00000 #SUP 3.19
76 0.903 7.360 131.564 1 U 8.445E+03 2.578E+02 e 0 7178 7318 5767 #VC 1.00000 #SUP 2.00
77 7.106 7.297 131.493 1 U 1.145E+05 3.488E+02 e 0 7319 7320 6588 #VC 1.00000 #SUP 3.74
78 4.134 7.295 131.493 1 U 1.926E+03 2.792E+02 e 0 5663 7320 6588 #VC 1.00000 #SUP 4.60
79 2.932 7.299 131.488 1 U 3.074E+03 2.766E+02 e 0 5664 7320 6588 #VC 1.00000 #SUP 3.96
80 2.123 7.297 131.498 1 U 3.407E+03 2.759E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
81 1.887 7.298 131.431 1 U 2.355E+03 2.684E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
82 1.371 7.300 131.473 1 U 1.875E+03 2.559E+02 e 0 7136 7320 6588 #VC 1.00000 #SUP 4.97
83 7.937 7.201 131.554 1 U 1.398E+03 2.796E+02 e 0 3572 7314 5748 #VC 1.00000 #SUP 8.06
84 7.469 7.202 131.554 1 U 9.578E+04 4.037E+02 e 0 7313 7314 5748 #VC 1.00000 #SUP 6.53
85 4.790 7.202 131.478 1 U 8.320E+02 2.599E+02 e 0 6586 7314 5748 #VC 1.00000 #SUP 6.82
86 4.432 7.201 131.579 1 U 7.552E+03 2.674E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
87 3.836 7.207 131.544 1 U 1.848E+03 2.648E+02 e 0 5677 7314 5748 #VC 1.00000 #SUP 5.74
88 3.407 7.208 131.549 1 U 1.229E+03 2.620E+02 e 0 5678 7314 5748 #VC 1.00000 #SUP 5.68
89 -0.069 7.202 131.579 1 U 6.293E+03 2.609E+02 e 0 7185 7314 5748 #VC 1.00000 #SUP 4.54
90 6.909 7.199 131.544 1 U 3.321E+03 3.226E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
91 1.120 7.200 131.564 1 U 1.616E+04 3.169E+02 e 0 7912 7317 5761 #VC 1.00000 #SUP 4.18
92 4.132 7.108 131.511 1 U 7.111E+03 2.791E+02 e 0 5663 7319 5779 #VC 1.00000 #SUP 5.77
93 3.988 7.108 131.463 1 U 8.823E+03 2.859E+02 e 0 4446 7316 5756 #VC 1.00000 #SUP 2.96
94 2.136 7.110 131.574 1 U 6.312E+03 3.066E+02 e 0 7230 7319 5779 #VC 1.00000 #SUP 4.75
95 7.272 7.106 131.493 1 U 1.530E+05 5.398E+02 e 0 7342 7316 5756 #VC 1.00000 #SUP 1.24
96 4.687 6.633 131.574 1 U 5.235E+02 2.172E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
97 3.957 6.635 131.529 1 U 1.545E+03 2.236E+02 e 0 5333 7306 5738 #VC 1.00000 #SUP 4.86
98 8.943 6.632 131.518 1 U 5.347E+03 2.581E+02 e 0 21 7306 5738 #VC 1.00000 #SUP 7.70
99 5.179 6.631 131.518 1 U 1.023E+04 2.857E+02 e 0 3905 7306 5738 #VC 1.00000 #SUP 5.63
100 2.839 6.632 131.539 1 U 7.043E+03 2.458E+02 e 0 5659 7306 5738 #VC 1.00000 #SUP 5.91
101 2.674 6.632 131.483 1 U 5.476E+03 2.662E+02 e 0 5658 7306 5738 #VC 1.00000 #SUP 5.47
102 1.407 6.630 131.564 1 U 1.863E+03 2.789E+02 e 0 7181 7306 5738 #VC 1.00000 #SUP 3.96
103 4.986 7.429 131.340 1 U 1.499E+03 2.538E+02 e 0 7236 7442 5773 #VC 1.00000 #SUP 3.08
104 8.327 7.422 131.375 1 U 2.576E+03 2.162E+02 e 0 85 7442 5773 #VC 1.00000 #SUP 2.03
105 6.622 7.418 131.377 1 U 3.882E+03 2.111E+02 e 0 8199 7442 5773 #VC 1.00000 #SUP 3.74
106 4.167 7.422 131.360 1 U 4.047E+03 2.267E+02 e 0 4347 7442 5773 #VC 1.00000 #SUP 2.84
107 3.869 7.421 131.362 1 U 4.710E+03 2.141E+02 e 0 4346 7442 5773 #VC 1.00000 #SUP 3.42
108 2.458 7.421 131.400 1 U 1.428E+03 2.328E+02 e 0 7215 7442 5773 #VC 1.00000 #SUP 3.17
109 1.661 7.421 131.405 1 U 1.016E+04 2.297E+02 e 0 8205 7442 5773 #VC 1.00000 #SUP 2.72
110 0.664 7.421 131.400 1 U 6.109E+03 2.415E+02 e 0 8242 7442 5773 #VC 1.00000 #SUP 2.46
111 4.002 7.297 131.436 1 U 6.432E+03 2.501E+02 e 0 6521 7320 6588 #VC 1.00000 #SUP 4.30
112 0.442 7.298 131.421 1 U 2.346E+03 2.758E+02 e 0 7195 7320 6588 #VC 1.00000 #SUP 1.81
113 2.293 7.031 131.296 1 U 2.180E+03 1.995E+02 e 0 7309 7312 5743 #VC 1.00000 #SUP 4.06
114 7.977 6.986 131.329 1 U 1.203E+03 2.347E+02 e 0 209 7307 5737 #VC 1.00000 #SUP 6.80
115 8.943 6.980 131.334 1 U 1.967E+03 2.005E+02 e 0 21 7307 5737 #VC 1.00000 #SUP 6.42
116 7.126 6.978 131.340 1 U 3.842E+04 2.008E+02 e 0 7436 7307 5737 #VC 1.00000 #SUP 1.88
117 6.625 6.977 131.355 1 U 1.144E+05 2.710E+02 e 0 7306 7307 5737 #VC 1.00000 #SUP 4.89
118 5.184 6.978 131.345 1 U 4.430E+03 2.302E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
119 2.846 6.977 131.370 1 U 2.844E+03 2.010E+02 e 0 5659 7307 5737 #VC 1.00000 #SUP 4.63
120 2.675 6.978 131.395 1 U 2.106E+03 2.317E+02 e 0 5658 7307 5737 #VC 1.00000 #SUP 4.19
121 1.731 6.978 131.314 1 U 5.283E+03 2.155E+02 e 0 5252 7307 5737 #VC 1.00000 #SUP 4.97
122 0.716 6.975 131.314 1 U 6.171E+03 1.969E+02 e 0 7090 7307 5737 #VC 1.00000 #SUP 2.13
123 1.739 6.634 131.380 1 U 2.732E+03 2.200E+02 e 0 5252 7306 5738 #VC 1.00000 #SUP 4.97
124 0.927 6.632 131.405 1 U 7.354E+03 2.233E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
125 0.717 6.632 131.421 1 U 5.980E+03 2.198E+02 e 0 7090 7306 5738 #VC 1.00000 #SUP 2.30
126 7.973 6.630 131.405 1 U 1.344E+03 2.414E+02 e 0 209 7306 5738 #VC 1.00000 #SUP 8.03
127 6.969 6.632 131.400 1 U 1.243E+05 3.410E+02 e 0 7307 7306 5738 #VC 1.00000 #SUP 4.89
128 4.155 6.629 131.375 1 U 1.559E+03 2.550E+02 e 0 5334 7306 5738 #VC 1.00000 #SUP 4.34
129 2.792 7.430 131.288 1 U 6.404E+02 2.340E+02 e 0 7254 7442 5773 #VC 1.00000 #SUP 3.37
130 6.717 7.108 131.262 1 U 3.083E+04 3.354E+02 e 0 7315 7316 5756 #VC 1.00000 #SUP 3.34
131 1.632 7.031 131.191 1 U 1.557E+03 2.331E+02 e 0 7200 7312 5743 #VC 1.00000 #SUP 1.84
132 7.527 7.028 131.257 1 U 3.371E+04 2.643E+02 e 0 7311 7312 5743 #VC 1.00000 #SUP 3.59
133 7.316 7.024 131.201 1 U 2.478E+03 2.555E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
134 4.400 7.024 131.222 1 U 6.804E+02 2.382E+02 e 0 7308 7312 5743 #VC 1.00000 #SUP 4.14
135 3.030 7.028 131.282 1 U 1.260E+03 2.325E+02 e 0 7310 7312 5743 #VC 1.00000 #SUP 4.03
136 1.416 7.028 131.176 1 U 2.622E+03 2.321E+02 e 0 5271 7312 5743 #VC 1.00000 #SUP 1.99
137 0.630 7.029 131.156 1 U 3.787E+03 2.491E+02 e 0 7075 7312 5743 #VC 1.00000 #SUP 4.95
138 0.915 6.980 131.267 1 U 1.245E+04 1.937E+02 e 0 7132 7307 5737 #VC 1.00000 #SUP 4.31
139 0.338 7.031 131.073 1 U 1.526E+03 2.006E+02 e 0 7074 7312 5743 #VC 1.00000 #SUP 3.85
140 2.130 7.029 131.114 1 U 4.796E+03 2.038E+02 e 0 7230 7312 5743 #VC 1.00000 #SUP 1.58
141 0.894 7.028 131.114 1 U 2.975E+04 2.059E+02 e 0 7437 7312 5743 #VC 1.00000 #SUP 4.14
142 -0.063 7.029 131.134 1 U 5.651E+03 2.189E+02 e 0 7185 7312 5743 #VC 1.00000 #SUP 6.32
143 4.087 7.265 129.958 1 U 1.077E+03 2.294E+02 e 0 4408 7439 5778 #VC 1.00000 #SUP 0.75
144 0.603 7.262 129.945 1 U 1.383E+03 2.036E+02 e 0 7196 7439 5778 #VC 1.00000 #SUP 2.58
145 7.078 7.275 129.911 1 U 5.470E+03 3.182E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
146 3.988 7.260 129.891 1 U 2.159E+03 2.825E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
147 0.458 7.262 129.942 1 U 3.418E+03 2.684E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
148 7.474 7.061 129.697 1 U 3.960E+03 2.307E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
149 1.581 7.062 129.707 1 U 1.100E+04 1.969E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
150 1.264 7.066 129.697 1 U 3.950E+03 2.231E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
151 0.388 7.060 129.732 1 U 4.124E+03 2.272E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
152 2.962 7.059 129.712 1 U 1.714E+03 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
153 -0.065 7.060 129.687 1 U 2.747E+03 1.937E+02 e 0 7185 7440 5742 #VC 1.00000 #SUP 4.40
154 2.135 7.126 129.548 1 U 2.786E+03 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
155 1.423 7.125 129.559 1 U 8.430E+02 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
156 6.611 7.135 129.375 1 U 1.605E+03 2.899E+02 e 0 7306 7436 5736 #VC 1.00000 #SUP 3.03
157 4.249 7.134 129.436 1 U 3.209E+02 2.074E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
158 1.731 7.133 129.476 1 U 1.940E+03 2.352E+02 e 0 5252 7436 5736 #VC 1.00000 #SUP 3.99
159 0.914 7.131 129.496 1 U 3.001E+04 2.353E+02 e 0 7132 7436 5736 #VC 1.00000 #SUP 3.29
160 0.727 7.138 129.501 1 U 3.894E+03 2.341E+02 e 0 7090 7436 5736 #VC 1.00000 #SUP 1.50
161 1.633 7.484 129.093 1 U 1.554E+03 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
162 0.623 7.489 129.052 1 U 2.651E+03 2.078E+02 e 0 7970 7441 5768 #VC 1.00000 #SUP 0.69
163 3.840 7.477 129.088 1 U 1.968E+03 2.107E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
164 7.460 7.484 129.021 1 U 6.051E+04 2.252E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
165 7.312 7.488 128.995 1 U 2.247E+04 2.164E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
166 6.706 7.486 128.985 1 U 1.612E+03 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
167 4.423 7.485 128.960 1 U 1.030E+03 2.198E+02 e 0 7308 7441 5768 #VC 1.00000 #SUP 0.94
168 3.400 7.487 129.061 1 U 4.985E+03 2.108E+02 e 0 5678 7441 5768 #VC 1.00000 #SUP 0.75
169 3.024 7.488 128.990 1 U 4.342E+03 2.069E+02 e 0 7310 7441 5768 #VC 1.00000 #SUP 0.94
170 0.893 7.489 129.005 1 U 1.221E+04 1.937E+02 e 0 7178 7441 5768 #VC 1.00000 #SUP 3.54
171 4.118 7.269 128.474 1 U 3.297E+03 2.518E+02 e 0 5209 7342 5754 #VC 1.00000 #SUP 2.96
172 0.329 7.270 128.489 1 U 8.520E+02 2.350E+02 e 0 7074 7342 5754 #VC 1.00000 #SUP 3.27
173 4.262 7.262 128.469 1 U 5.005E+03 2.008E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
174 2.124 7.260 128.499 1 U 2.424E+03 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
175 1.840 7.262 128.512 1 U 3.229E+02 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
176 4.709 7.271 128.381 1 U 3.230E+02 2.209E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
177 1.154 7.263 128.447 1 U 1.408E+04 2.318E+02 e 0 7073 7342 5754 #VC 1.00000 #SUP 3.24
178 0.616 7.265 128.442 1 U 3.100E+03 2.320E+02 e 0 7075 7342 5754 #VC 1.00000 #SUP 3.10
179 8.682 7.263 128.427 1 U 6.040E+03 1.984E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
180 7.087 7.260 128.463 1 U 3.290E+04 3.311E+02 e 0 7316 7342 5754 #VC 1.00000 #SUP 1.24
181 6.706 7.259 128.463 1 U 2.048E+03 1.937E+02 e 0 7315 7342 5754 #VC 1.00000 #SUP 2.70
182 3.973 7.262 128.427 1 U 5.412E+03 2.156E+02 e 0 4446 7342 5754 #VC 1.00000 #SUP 2.96
183 2.331 7.260 128.447 1 U 5.903E+02 1.937E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
184 4.117 7.253 128.417 1 U 3.285E+03 2.366E+02 e 0 5209 7342 5754 #VC 1.00000 #SUP 2.96
185 7.123 7.428 121.197 1 U 9.535E+02 2.579E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
186 4.997 7.428 121.247 1 U 1.457E+03 2.282E+02 e 0 7121 7359 7360 #VC 1.00000 #SUP 5.89
187 4.518 7.427 121.247 1 U 2.254E+03 2.132E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
188 2.314 7.430 121.202 1 U 1.091E+04 2.619E+02 e 0 7118 7359 7360 #VC 1.00000 #SUP 6.82
189 1.417 7.429 121.318 1 U 7.630E+02 2.211E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
190 7.837 7.428 121.145 1 U 4.834E+02 2.183E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
191 7.259 7.429 121.190 1 U 7.460E+03 2.352E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
192 3.579 7.430 121.185 1 U 5.145E+03 2.104E+02 e 0 7355 7359 7360 #VC 1.00000 #SUP 3.50
193 2.734 7.430 121.200 1 U 4.061E+03 2.019E+02 e 0 7362 7359 7360 #VC 1.00000 #SUP 3.14
194 2.180 7.429 121.190 1 U 7.173E+03 2.187E+02 e 0 7117 7359 7360 #VC 1.00000 #SUP 5.82
195 0.658 7.430 121.190 1 U 3.174E+03 2.250E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
196 1.879 7.426 121.170 1 U 2.298E+03 2.392E+02 e 0 4314 7359 7360 #VC 1.00000 #SUP 6.65
197 0.483 7.425 121.190 1 U 2.708E+03 2.283E+02 e 0 8211 7359 7360 #VC 1.00000 #SUP 6.51
198 9.192 7.266 120.603 1 U 1.131E+03 2.913E+02 e 0 29 7322 7325 #VC 1.00000 #SUP 6.95
199 7.910 7.267 120.689 1 U 1.139E+03 2.733E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
200 7.554 7.264 120.654 1 U 4.008E+03 2.934E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
201 4.915 7.265 120.654 1 U 5.389E+03 2.766E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
202 4.690 7.266 120.659 1 U 2.484E+04 2.802E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
203 3.728 7.266 120.679 1 U 6.698E+03 2.533E+02 e 0 4213 7322 7325 #VC 1.00000 #SUP 6.00
204 3.452 7.265 120.699 1 U 2.667E+03 2.734E+02 e 0 7301 7322 7325 #VC 1.00000 #SUP 3.08
205 3.238 7.265 120.674 1 U 7.383E+03 2.815E+02 e 0 7299 7322 7325 #VC 1.00000 #SUP 3.08
206 2.514 7.265 120.669 1 U 2.641E+03 2.625E+02 e 0 4297 7322 7325 #VC 1.00000 #SUP 4.13
207 2.219 7.266 120.679 1 U 1.445E+03 2.732E+02 e 0 7114 7322 7325 #VC 1.00000 #SUP 4.31
208 1.931 7.265 120.745 1 U 2.568E+03 2.732E+02 e 0 7115 7322 7325 #VC 1.00000 #SUP 3.27
209 6.958 7.265 120.592 1 U 2.350E+03 2.313E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
210 0.485 8.126 119.254 1 U -1.576E+03 2.276E+02 e 0 8211 8241 7361 #VC 1.00000 #SUP 3.84
211 2.305 8.125 119.190 1 U -1.178E+03 2.062E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
212 1.444 8.123 119.205 1 U -1.096E+03 2.160E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
213 0.633 8.125 119.200 1 U -6.165E+03 2.235E+02 e 0 7124 8241 7361 #VC 1.00000 #SUP 4.28
214 2.911 8.471 117.932 1 U -4.779E+02 2.001E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
215 9.110 8.464 118.008 1 U -5.155E+02 2.972E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
216 8.871 8.464 118.008 1 U -3.169E+03 3.170E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
217 8.041 8.465 117.997 1 U -1.229E+03 3.142E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
218 4.689 8.464 118.003 1 U -1.522E+04 3.022E+02 e 0 0 0 0 #VC 1.00000 #SUP 1.00
219 3.734 8.469 118.038 1 U -1.261E+03 2.922E+02 e 0 4213 8249 7324 #VC 1.00000 #SUP 2.86
220 2.219 8.464 118.003 1 U -1.987E+03 2.924E+02 e 0 7114 8249 7324 #VC 1.00000 #SUP 2.30
;
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 . . 16 ppm . . . 4.708 . . 34560 3
2 . . H 1 H-aromatic . . 16 ppm . . . 4.708 . . 34560 3
3 . . C 13 C-aromatic . folded 12 ppm . . . 125.5 . . 34560 3
stop_
save_