Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 30928
_Spectral_peak_list.ID 1
_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 7
_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 HC
#INAME 2 C
#INAME 3 H
#SPECTRUM C13NOESY HC C H
1 6.886 132.085 2.513 4 U 1.258000E+08 0.000000E+00 a 0 0 0 0
3 7.095 130.775 0.776 4 U 2.323000E+07 0.000000E+00 a 0 0 0 0
4 7.094 130.811 1.548 4 U 2.554000E+07 0.000000E+00 a 0 0 0 0
5 7.093 130.795 2.730 4 U 2.598000E+07 0.000000E+00 a 0 0 0 0
6 7.095 130.749 2.477 4 U 2.698000E+07 0.000000E+00 a 0 0 0 0
7 7.093 130.779 2.119 4 U 3.449000E+07 0.000000E+00 a 0 0 0 0
8 6.725 120.412 4.060 3 U 3.170000E+07 0.000000E+00 a 0 751 747 669 #QU 0.979 #SUP 0.98
10 6.585 118.289 6.948 4 U 3.489000E+08 0.000000E+00 a 0 0 0 0
11 6.585 118.263 6.584 3 U 1.788000E+09 0.000000E+00 a 0 237 242 237 #QU 1.000 #SUP 1.00
12 6.585 118.238 4.605 4 U 7.986000E+07 0.000000E+00 a 0 0 0 0
14 6.584 118.326 2.428 4 U 5.226000E+07 0.000000E+00 a 0 0 0 0
16 6.939 133.823 9.143 3 U 3.577000E+07 0.000000E+00 a 0 649 653 642 #QU 0.724 #SUP 0.72
17 6.939 133.944 8.560 3 U 5.872000E+07 0.000000E+00 a 0 649 653 666 #QU 0.997 #SUP 1.00
18 6.886 132.111 9.459 4 U 5.567000E+07 0.000000E+00 a 0 0 0 0
19 6.886 132.270 7.102 4 U 1.756000E+08 0.000000E+00 a 0 0 0 0
20 6.886 132.123 6.883 4 U 9.789000E+08 0.000000E+00 a 0 0 0 0
21 6.886 132.037 4.862 4 U 3.703000E+07 0.000000E+00 a 0 0 0 0
22 6.886 132.054 4.384 4 U 3.032000E+07 0.000000E+00 a 0 0 0 0
25 6.886 132.105 2.810 4 U 1.077000E+08 0.000000E+00 a 0 0 0 0
27 6.887 132.171 1.527 4 U 3.612000E+07 0.000000E+00 a 0 0 0 0
30 6.886 132.152 0.776 4 U 6.088000E+07 0.000000E+00 a 0 0 0 0
31 7.094 130.799 7.103 4 U 5.111000E+08 0.000000E+00 a 0 0 0 0
32 7.155 131.258 0.737 4 U 2.906000E+07 0.000000E+00 a 0 0 0 0
33 7.154 131.222 1.464 4 U 2.247000E+07 0.000000E+00 a 0 0 0 0
34 7.154 131.272 1.809 4 U 2.009000E+07 0.000000E+00 a 0 0 0 0
35 7.154 131.210 2.618 4 U 1.046000E+07 0.000000E+00 a 0 0 0 0
36 7.154 131.199 2.995 4 U 1.064000E+07 0.000000E+00 a 0 0 0 0
37 7.155 131.223 3.584 4 U 2.071000E+07 0.000000E+00 a 0 0 0 0
38 7.155 131.198 3.863 4 U 2.962000E+07 0.000000E+00 a 0 0 0 0
39 7.155 131.228 4.164 4 U 2.966000E+07 0.000000E+00 a 0 0 0 0
40 7.155 131.225 4.779 4 U 1.870000E+07 0.000000E+00 a 0 0 0 0
43 7.155 131.217 6.577 4 U 9.535000E+06 0.000000E+00 a 0 0 0 0
44 6.664 117.962 6.657 3 U 2.136000E+09 0.000000E+00 a 0 72 77 72 #QU 0.996 #SUP 1.00
46 6.663 118.002 2.525 3 U 5.825000E+07 0.000000E+00 a 0 72 77 69 #QU 0.996 #SUP 1.00
48 6.664 118.016 0.796 4 U 7.193000E+07 0.000000E+00 a 0 0 0 0
49 4.412 129.795 6.804 4 U 3.064000E+07 0.000000E+00 a 0 0 0 0
50 4.406 129.715 7.974 4 U 6.067000E+07 0.000000E+00 a 0 0 0 0
51 4.405 129.715 4.415 4 U 4.674000E+08 0.000000E+00 a 0 0 0 0
52 4.409 129.701 2.599 4 U 7.393000E+07 0.000000E+00 a 0 0 0 0
53 4.404 129.694 7.661 4 U 2.629000E+07 0.000000E+00 a 0 0 0 0
54 6.864 118.506 6.863 3 U 1.401000E+09 0.000000E+00 a 0 581 586 581 #QU 0.999 #SUP 1.00
55 6.864 118.349 5.097 3 U 2.682000E+07 0.000000E+00 a 0 581 586 575 #QU 0.905 #SUP 0.91
56 6.861 118.569 4.494 4 U 2.321000E+07 0.000000E+00 a 0 0 0 0
58 6.863 118.428 2.734 3 U 3.945000E+07 0.000000E+00 a 0 581 586 313 #VC 0.27016 #QU 0.316 #SUP 1.00
581 586 578 #VC 0.72984 #QU 1.000 #SUP 1.00
59 6.297 116.722 6.294 3 U 8.365000E+08 0.000000E+00 a 0 626 631 626 #QU 0.998 #SUP 1.00
62 6.709 134.297 6.276 3 U 1.925000E+08 0.000000E+00 a 0 625 629 626 #QU 0.907 #SUP 0.91
63 6.710 134.297 6.705 3 U 8.325000E+08 0.000000E+00 a 0 625 629 625 #QU 0.998 #SUP 1.00
64 6.711 134.426 5.590 3 U 4.348000E+07 0.000000E+00 a 0 625 629 620 #QU 0.954 #SUP 0.95
65 6.710 134.316 4.205 3 U 5.180000E+07 0.000000E+00 a 0 625 629 757 #QU 0.915 #SUP 0.91
66 6.710 134.368 3.618 3 U 4.990000E+07 0.000000E+00 a 0 625 629 577 #QU 0.892 #SUP 0.89
67 6.710 134.308 2.830 3 U 1.953000E+08 0.000000E+00 a 0 625 629 623 #QU 0.823 #SUP 0.82
68 6.711 134.296 7.946 3 U 4.352000E+07 0.000000E+00 a 0 625 629 618 #QU 0.980 #SUP 0.98
70 3.111 114.700 5.016 4 U 3.332000E+06 0.000000E+00 a 0 0 0 0
71 3.062 114.700 5.296 4 U 7.588000E+06 0.000000E+00 a 0 0 0 0
72 3.034 114.700 5.027 4 U 5.136000E+06 0.000000E+00 a 0 0 0 0
73 6.940 133.845 2.421 3 U 5.374000E+07 0.000000E+00 a 0 649 653 742 #QU 0.915 #SUP 0.91
76 6.940 133.912 3.063 3 U 2.442000E+08 0.000000E+00 a 0 649 653 646 #VC 0.47938 #QU 0.906 #SUP 1.00
649 653 647 #VC 0.52062 #QU 0.984 #SUP 1.00
77 6.941 133.843 4.111 3 U 2.542000E+07 0.000000E+00 a 0 649 653 613 #QU 0.654 #SUP 0.65
78 6.942 134.052 4.620 3 U 4.655000E+07 0.000000E+00 a 0 649 653 778 #QU 0.934 #SUP 0.93
80 6.939 134.017 5.178 3 U 4.288000E+07 0.000000E+00 a 0 649 653 644 #QU 0.997 #SUP 1.00
81 6.940 133.976 6.586 3 U 3.035000E+08 0.000000E+00 a 0 649 653 650 #QU 0.836 #SUP 0.84
82 6.940 133.921 6.941 3 U 1.431000E+09 0.000000E+00 a 0 649 653 649 #QU 1.000 #SUP 1.00
83 6.844 131.213 0.726 4 U 2.963000E+07 0.000000E+00 a 0 0 0 0
84 6.843 131.221 1.804 4 U 3.720000E+07 0.000000E+00 a 0 0 0 0
85 6.844 131.149 1.489 4 U 3.443000E+07 0.000000E+00 a 0 0 0 0
86 6.844 131.193 4.820 4 U 2.882000E+07 0.000000E+00 a 0 0 0 0
87 6.844 131.181 3.558 4 U 1.598000E+07 0.000000E+00 a 0 0 0 0
88 6.844 131.182 2.943 4 U 5.903000E+07 0.000000E+00 a 0 0 0 0
89 6.844 131.182 2.676 4 U 5.754000E+07 0.000000E+00 a 0 0 0 0
90 6.844 131.150 3.852 4 U 2.415000E+07 0.000000E+00 a 0 0 0 0
91 6.844 131.200 7.166 4 U 2.465000E+08 0.000000E+00 a 0 0 0 0
92 6.844 131.191 6.837 4 U 8.925000E+08 0.000000E+00 a 0 0 0 0
94 6.939 121.134 6.284 3 U 1.884000E+07 0.000000E+00 a 0 298 294 626 #QU 0.458 #SUP 0.46
95 6.939 121.130 4.105 3 U 5.746000E+07 0.000000E+00 a 0 298 294 724 #QU 1.000 #SUP 1.00
96 6.939 121.165 6.967 3 U 7.101000E+08 0.000000E+00 a 0 298 294 298 #QU 0.806 #SUP 0.81
97 6.949 121.160 2.815 4 U 3.891000E+07 0.000000E+00 a 0 0 0 0
98 6.939 121.164 1.811 3 U 2.957000E+07 0.000000E+00 a 0 298 294 726 #QU 0.826 #SUP 0.83
99 6.940 121.086 1.323 3 U 2.570000E+07 0.000000E+00 a 0 298 294 268 #VC 0.61715 #QU 0.973 #SUP 0.98
298 294 767 #VC 0.38285 #QU 0.256 #SUP 0.98
100 6.938 121.304 0.443 4 U 6.535000E+06 0.000000E+00 a 0 0 0 0
101 6.939 121.106 0.272 3 U 8.133000E+07 0.000000E+00 a 0 298 294 269 #QU 0.952 #SUP 0.95
102 6.724 120.418 6.718 3 U 6.930000E+08 0.000000E+00 a 0 751 747 751 #QU 0.993 #SUP 0.99
103 6.724 120.473 4.978 3 U 4.785000E+07 0.000000E+00 a 0 751 747 668 #QU 0.884 #SUP 0.88
104 6.724 120.423 2.442 3 U 1.678000E+07 0.000000E+00 a 0 751 747 742 #QU 0.979 #SUP 0.98
105 6.724 120.464 1.535 3 U 2.445000E+07 0.000000E+00 a 0 751 747 743 #QU 0.990 #SUP 0.99
108 3.536 114.700 4.911 4 U 1.473000E+07 0.000000E+00 a 0 0 0 0
109 3.509 114.700 4.884 4 U 4.501000E+07 0.000000E+00 a 0 0 0 0
110 3.505 114.700 4.618 4 U 5.105000E+07 0.000000E+00 a 0 0 0 0
111 6.829 133.018 4.390 3 U 6.282000E+07 0.000000E+00 a 0 71 75 66 #QU 0.872 #SUP 0.87
112 6.830 132.826 4.400 3 U 6.102000E+07 0.000000E+00 a 0 71 75 66 #QU 0.971 #SUP 0.97
113 6.828 132.818 4.003 3 U 2.843000E+07 0.000000E+00 a 0 71 75 22 #QU 0.978 #SUP 0.98
114 6.830 132.926 2.553 3 U 1.845000E+08 0.000000E+00 a 0 71 75 69 #QU 0.868 #SUP 0.87
115 6.830 132.896 0.775 3 U 7.527000E+07 0.000000E+00 a 0 71 75 388 #QU 0.954 #SUP 0.95
116 7.004 133.181 6.616 3 U 2.541000E+08 0.000000E+00 a 0 236 240 237 #QU 0.770 #SUP 0.77
117 7.005 133.164 3.940 3 U 8.975000E+07 0.000000E+00 a 0 236 240 231 #QU 0.977 #SUP 0.98
118 7.005 133.111 3.081 3 U 9.364000E+07 0.000000E+00 a 0 236 240 233 #QU 0.754 #SUP 0.75
119 7.004 133.269 2.787 3 U 1.389000E+08 0.000000E+00 a 0 236 240 234 #QU 0.998 #SUP 1.00
120 7.004 133.208 0.652 3 U 5.155000E+07 0.000000E+00 a 0 236 240 179 #QU 0.929 #SUP 0.93
121 7.155 129.400 7.155 3 U 1.184000E+09 0.000000E+00 a 0 371 370 371 #QU 1.000 #SUP 1.00
122 7.155 129.442 6.819 3 U 4.933000E+07 0.000000E+00 a 0 371 370 362 #QU 0.853 #SUP 0.85
123 7.155 129.404 4.152 3 U 4.895000E+07 0.000000E+00 a 0 371 370 466 #QU 0.684 #SUP 0.68
124 7.155 129.391 0.769 4 U 2.557000E+07 0.000000E+00 a 0 0 0 0
125 6.995 131.777 6.993 3 U 1.289000E+09 0.000000E+00 a 0 580 584 580 #QU 1.000 #SUP 1.00
126 6.994 131.762 5.080 3 U 1.695000E+08 0.000000E+00 a 0 580 584 575 #QU 0.999 #SUP 1.00
127 6.995 131.876 3.612 3 U 7.918000E+07 0.000000E+00 a 0 580 584 577 #QU 0.957 #SUP 0.96
128 6.995 131.807 2.738 3 U 1.266000E+08 0.000000E+00 a 0 580 584 578 #QU 0.999 #SUP 1.00
129 7.264 120.315 5.169 4 U 3.567000E+05 0.000000E+00 a 0 0 0 0
130 7.263 120.440 3.214 3 U 2.752000E+07 0.000000E+00 a 0 801 797 792 #QU 0.987 #SUP 0.99
131 8.282 137.864 3.446 4 U 5.235000E+06 0.000000E+00 a 0 0 0 0
132 2.040 114.700 4.494 4 U 6.737000E+06 0.000000E+00 a 0 0 0 0
133 1.999 114.700 4.485 4 U 1.262000E+07 0.000000E+00 a 0 0 0 0
134 1.973 114.700 4.497 4 U 1.098000E+07 0.000000E+00 a 0 0 0 0
135 2.284 114.700 4.936 4 U 1.739000E+06 0.000000E+00 a 0 0 0 0
136 2.259 114.700 4.891 4 U 4.911000E+07 0.000000E+00 a 0 0 0 0
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H-aromatic . . 13.8868 ppm . . . 4.699 . . 30928 1
2 . . C 13 C-aromatic . . 14 ppm . . . 124 . . 30928 1
3 . . H 1 H . . 24 ppm . . . 4.699 . . 30928 1
stop_
save_