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 34144
_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 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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
#INAME 1 H
#INAME 2 H
#INAME 3 C
#CYANAFORMAT HhC
1 7.820 3.402 135.428 1 T 8.095e+07 0.00e+00 a 0 998 911 995 0
998 553 995
2 7.999 6.629 134.731 1 T 4.413e+07 0.00e+00 a 0 0 0 0 0
3 7.998 7.310 134.752 1 T 4.689e+07 0.00e+00 a 0 954 1356 951 0
4 7.990 4.765 134.783 1 T 4.476e+07 0.00e+00 a 0 954 1345 951 0
5 7.991 3.025 134.744 1 T 4.406e+07 0.00e+00 a 0 954 1348 951 0
6 7.984 1.320 134.721 1 T 2.923e+07 0.00e+00 a 0 954 1014 951 0
7 7.988 0.993 134.737 1 T 3.330e+07 0.00e+00 a 0 954 91 951 0
8 7.359 3.056 124.792 1 T 9.565e+07 0.00e+00 a 0 0 0 0 0
9 7.359 3.499 124.687 1 T 4.812e+07 0.00e+00 a 0 0 0 0 0
10 7.358 8.530 124.770 1 T 7.903e+07 0.00e+00 a 0 0 0 0 0
11 7.358 10.157 124.775 1 T 2.092e+08 0.00e+00 a 0 0 0 0 0
12 7.358 0.488 124.737 1 T 3.248e+07 0.00e+00 a 0 0 0 0 0
13 7.363 0.208 124.744 1 T 3.561e+07 0.00e+00 a 0 0 0 0 0
14 7.666 1.364 129.145 1 T 7.286e+07 0.00e+00 a 0 0 0 0 0
15 7.667 0.644 128.972 1 T 7.502e+07 0.00e+00 a 0 0 0 0 0
16 7.666 3.035 129.075 1 T 6.804e+07 0.00e+00 a 0 468 466 472 0
17 7.665 9.064 129.005 1 T 5.571e+07 0.00e+00 a 0 0 0 0 0
19 7.628 7.253 128.768 1 T 2.532e+08 0.00e+00 a 0 0 0 0 0
20 7.823 2.307 135.499 1 T 3.751e+07 0.00e+00 a 0 998 934 995 0
21 7.823 4.768 135.666 1 T 3.714e+07 0.00e+00 a 0 998 886 995 0
22 7.943 4.769 135.790 1 T 4.580e+07 0.00e+00 a 0 921 1345 918 0
23 7.942 1.024 135.757 1 T 6.037e+07 0.00e+00 a 0 921 577 918 0
24 7.936 1.360 135.737 1 T 3.833e+07 0.00e+00 a 0 0 0 0 0
25 6.787 6.155 130.514 1 T 3.568e+08 0.00e+00 a 0 168 169 179 0
26 6.788 4.875 130.520 1 T 3.915e+07 0.00e+00 a 0 168 163 179 0
27 6.783 4.578 130.588 1 T 2.457e+07 0.00e+00 a 0 168 1369 179 0
28 6.785 2.901 130.534 1 T 1.616e+08 0.00e+00 a 0 168 1332 179 0
29 6.785 2.772 130.530 1 T 1.501e+08 0.00e+00 a 0 168 166 179 0
30 6.782 1.049 130.505 1 T 2.153e+07 0.00e+00 a 0 168 1161 179 0
31 6.788 8.963 130.542 1 T 3.422e+07 0.00e+00 a 0 168 1328 179 0
32 6.791 9.253 130.635 1 T 2.281e+07 0.00e+00 a 0 168 161 179 0
33 6.788 7.604 130.580 1 T 6.209e+07 0.00e+00 a 0 168 0 179 0
34 6.780 7.186 130.339 1 T 4.828e+07 0.00e+00 a 0 0 0 0 0
35 6.997 0.791 127.279 1 T 2.154e+07 0.00e+00 a 0 0 0 0 0
37 6.996 1.045 127.530 1 T 1.771e+07 0.00e+00 a 0 0 0 0 0
38 6.996 7.681 127.530 1 T 4.284e+07 0.00e+00 a 0 0 0 0 0
40 7.669 4.111 129.098 1 T 3.461e+07 0.00e+00 a 0 0 0 0 0
41 7.660 1.912 129.075 1 T 2.766e+07 0.00e+00 a 0 0 0 0 0
42 7.670 3.759 129.034 1 T 2.265e+07 0.00e+00 a 0 0 0 0 0
43 7.355 4.832 124.846 1 T 1.965e+07 0.00e+00 a 0 0 0 0 0
44 7.221 3.342 122.048 1 T 3.821e+07 0.00e+00 a 0 953 944 949 0
45 7.213 3.058 122.095 1 T 2.474e+07 0.00e+00 a 0 0 0 0 0
46 7.220 3.930 122.076 1 T 2.262e+07 0.00e+00 a 0 953 959 949 0
47 7.220 4.755 122.105 1 T 2.187e+07 0.00e+00 a 0 953 1345 949 0
48 7.222 1.791 122.330 1 T 2.191e+07 0.00e+00 a 0 953 88 949 0
50 7.821 8.089 135.507 1 T 3.424e+07 0.00e+00 a 0 998 1526 995 0
53 7.996 1.824 134.814 1 T 1.480e+07 0.00e+00 a 0 954 105 951 0
54 7.996 3.432 134.814 1 T 1.991e+07 0.00e+00 a 0 954 1347 951 0
63 7.003 4.294 113.609 1 T 1.332e+08 0.00e+00 a 0 0 0 0 0
64 7.003 1.452 113.645 1 T 2.458e+07 0.00e+00 a 0 997 1024 993 0
65 7.001 0.867 113.552 1 T 4.128e+07 0.00e+00 a 0 997 519 993 0
66 6.151 3.642 114.958 1 T 4.590e+07 0.00e+00 a 0 0 0 0 0
67 6.150 2.990 114.982 1 T 4.340e+07 0.00e+00 a 0 0 0 0 0
68 6.153 2.495 115.107 1 T 3.196e+07 0.00e+00 a 0 0 0 0 0
69 6.155 1.728 115.037 1 T 4.377e+07 0.00e+00 a 0 0 0 0 0
70 6.153 1.420 114.925 1 T 2.817e+07 0.00e+00 a 0 0 0 0 0
72 6.153 6.783 115.057 1 T 4.236e+08 0.00e+00 a 0 0 0 0 0
73 6.154 9.194 114.964 1 T 2.331e+07 0.00e+00 a 0 0 0 0 0
78 6.656 1.136 115.129 1 T 3.667e+07 0.00e+00 a 0 800 677 808 0
79 6.658 0.669 115.058 1 T 9.980e+07 0.00e+00 a 0 800 680 808 0
80 6.656 3.006 114.850 1 T 3.492e+07 0.00e+00 a 0 800 796 808 0
81 6.657 4.769 115.015 1 T 3.396e+07 0.00e+00 a 0 800 778 808 0
83 6.678 1.905 116.019 1 T 7.994e+07 0.00e+00 a 0 920 929 916 0
84 6.679 2.323 115.947 1 T 4.667e+07 0.00e+00 a 0 920 546 916 0
85 6.679 3.406 115.985 1 T 5.029e+07 0.00e+00 a 0 0 0 0 0
86 6.678 4.387 116.228 1 T 3.278e+07 0.00e+00 a 0 0 0 0 0
87 6.679 4.767 115.857 1 T 3.101e+07 0.00e+00 a 0 920 101 916 0
88 6.673 8.966 116.005 1 T 2.656e+07 0.00e+00 a 0 920 558 916 0
89 7.254 5.856 128.886 1 T 2.745e+07 0.00e+00 a 0 835 829 838 0
90 7.258 2.862 128.734 1 T 4.501e+07 0.00e+00 a 0 835 832 838 0
91 7.250 1.176 128.937 1 T 3.076e+07 0.00e+00 a 0 835 677 838 0
92 7.250 1.456 128.812 1 T 2.405e+07 0.00e+00 a 0 835 1370 838 0
94 7.332 9.104 129.307 1 T 3.411e+07 0.00e+00 a 0 891 884 895 0
95 7.335 4.666 129.164 1 T 2.072e+07 0.00e+00 a 0 0 0 0 0
96 7.334 3.775 129.296 1 T 5.267e+07 0.00e+00 a 0 891 539 895 0
97 7.331 2.998 129.309 1 T 5.019e+07 0.00e+00 a 0 891 890 895 0
98 7.329 1.490 129.591 1 T 4.206e+07 0.00e+00 a 0 891 854 895 0
101 7.625 6.663 128.923 1 T 1.656e+07 0.00e+00 a 0 0 0 0 0
102 6.665 7.604 131.428 1 T 3.446e+07 0.00e+00 a 0 799 0 810 0
103 6.666 7.939 131.521 1 T 4.368e+07 0.00e+00 a 0 799 792 810 0
104 6.665 9.014 131.507 1 T 3.832e+07 0.00e+00 a 0 799 816 810 0
105 6.664 5.040 131.559 1 T 2.499e+07 0.00e+00 a 0 799 794 810 0
106 6.660 4.755 131.515 1 T 3.302e+07 0.00e+00 a 0 799 778 810 0
107 6.663 3.019 131.431 1 T 1.085e+08 0.00e+00 a 0 799 796 810 0
108 6.661 2.493 131.508 1 T 9.861e+07 0.00e+00 a 0 799 797 810 0
109 6.665 0.663 131.408 1 T 4.142e+07 0.00e+00 a 0 799 680 810 0
112 7.217 7.219 122.055 1 T 1.217e+09 0.00e+00 a 0 0 0 0 0
113 6.677 8.138 116.164 1 T 2.542e+07 0.00e+00 a 0 0 0 0 0
114 7.358 7.358 124.761 1 T 2.194e+09 0.00e+00 a 0 0 0 0 0
116 6.782 1.437 130.701 1 T 2.197e+07 0.00e+00 a 0 168 1370 179 0
118 6.658 2.492 115.159 1 T 2.318e+07 0.00e+00 a 0 800 797 808 0
119 6.656 2.854 115.115 1 T 2.601e+07 0.00e+00 a 0 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 . 'not observed' 12.01 ppm . . . 4.672 . . 34144 3
2 . . H 1 H-aromatic . 'not observed' 12.000 ppm . . . 4.672 . . 34144 3
3 . . C 13 C-aromatic . 'not observed' 28 ppm . . . 123.5 . . 34144 3
stop_
save_