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 31004
_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 11
_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
#INAME 1 C
#INAME 2 H
#INAME 3 HC
#CYANAFORMAT ChH
1 131.394 7.183 7.189 1 U 0.716E+09 0.000E+00 e 0 0 0 0
2 131.394 7.297 7.190 1 U 0.468E+09 0.000E+00 e 0 0 0 0
3 131.394 4.418 7.195 1 U 0.307E+08 0.000E+00 e 0 0 0 0
4 131.394 4.136 7.194 1 U 0.267E+08 0.000E+00 e 0 0 0 0
5 131.394 3.154 7.195 1 U 0.278E+08 0.000E+00 e 0 0 0 0
6 131.394 3.064 7.198 1 U 0.266E+08 0.000E+00 e 0 0 0 0
7 131.394 1.555 7.193 1 U 0.182E+08 0.000E+00 e 0 0 0 0
8 131.394 0.929 7.193 1 U 0.537E+08 0.000E+00 e 0 0 0 0
9 131.394 0.819 7.195 1 U 0.489E+08 0.000E+00 e 0 0 0 0
10 131.394 2.345 7.189 1 U 0.161E+08 0.000E+00 e 0 0 0 0
11 131.253 8.314 7.296 1 U 0.122E+08 0.000E+00 e 0 0 0 0
12 131.253 7.304 7.305 1 U 0.138E+10 0.000E+00 e 0 0 0 0
13 131.253 7.183 7.304 1 U 0.352E+09 0.000E+00 e 0 0 0 0
14 131.253 4.418 7.307 1 U 0.319E+08 0.000E+00 e 0 0 0 0
15 131.253 4.222 7.309 1 U 0.160E+08 0.000E+00 e 0 0 0 0
16 131.253 3.147 7.312 1 U 0.249E+08 0.000E+00 e 0 0 0 0
17 131.253 3.057 7.325 1 U 0.229E+08 0.000E+00 e 0 0 0 0
18 131.253 2.087 7.309 1 U 0.180E+08 0.000E+00 e 0 0 0 0
19 131.253 1.785 7.311 1 U 0.202E+08 0.000E+00 e 0 0 0 0
20 131.253 1.519 7.313 1 U 0.271E+08 0.000E+00 e 0 0 0 0
21 131.253 1.202 7.315 1 U 0.249E+08 0.000E+00 e 0 0 0 0
22 131.253 0.956 7.305 1 U 0.512E+08 0.000E+00 e 0 0 0 0
23 131.253 0.824 7.307 1 U 0.456E+08 0.000E+00 e 0 0 0 0
24 130.610 4.629 7.281 1 U 0.536E+08 0.000E+00 e 0 0 0 0
25 130.610 3.299 7.278 1 U 0.388E+08 0.000E+00 e 0 0 0 0
26 130.610 4.027 7.281 1 U 0.261E+08 0.000E+00 e 0 0 0 0
27 130.610 2.036 7.290 1 U 0.176E+08 0.000E+00 e 0 0 0 0
28 130.610 1.547 7.296 1 U 0.156E+08 0.000E+00 e 0 0 0 0
29 130.610 0.964 7.295 1 U 0.404E+08 0.000E+00 e 0 0 0 0
30 130.610 0.835 7.294 1 U 0.179E+08 0.000E+00 e 0 0 0 0
31 130.610 7.289 7.295 1 U 0.717E+09 0.000E+00 e 0 0 0 0
32 130.610 7.390 7.295 1 U 0.435E+09 0.000E+00 e 0 0 0 0
33 130.756 4.628 7.409 1 U 0.195E+08 0.000E+00 e 0 0 0 0
34 130.737 3.295 7.414 1 U 0.191E+08 0.000E+00 e 0 0 0 0
35 130.737 0.976 7.409 1 U 0.366E+08 0.000E+00 e 0 0 0 0
36 130.737 0.839 7.408 1 U 0.184E+08 0.000E+00 e 0 0 0 0
37 130.737 7.281 7.415 1 U 0.140E+09 0.000E+00 e 0 0 0 0
38 130.737 7.410 7.412 1 U 0.170E+09 0.000E+00 e 0 0 0 0
39 132.927 7.312 7.307 1 U 0.997E+09 0.000E+00 e 0 0 0 0
40 132.927 8.540 7.298 1 U 0.106E+08 0.000E+00 e 0 0 0 0
41 132.927 5.251 7.307 1 U 0.328E+08 0.000E+00 e 0 0 0 0
42 132.927 4.414 7.308 1 U 0.195E+08 0.000E+00 e 0 0 0 0
43 132.927 3.084 7.309 1 U 0.605E+08 0.000E+00 e 0 0 0 0
44 132.927 2.047 7.308 1 U 0.225E+08 0.000E+00 e 0 0 0 0
45 132.927 1.817 7.304 1 U 0.179E+08 0.000E+00 e 0 0 0 0
46 132.927 1.527 7.309 1 U 0.238E+08 0.000E+00 e 0 0 0 0
47 132.927 1.242 7.308 1 U 0.294E+08 0.000E+00 e 0 0 0 0
48 132.927 0.956 7.307 1 U 0.410E+08 0.000E+00 e 0 0 0 0
49 125.026 6.898 6.886 1 U 0.967E+08 0.000E+00 e 0 0 0 0
50 125.026 10.328 6.879 1 U 0.126E+08 0.000E+00 e 0 0 0 0
51 125.026 4.555 6.882 1 U 0.429E+08 0.000E+00 e 0 0 0 0
52 125.026 1.617 6.886 1 U 0.179E+08 0.000E+00 e 0 0 0 0
53 125.026 0.381 6.888 1 U 0.224E+08 0.000E+00 e 0 0 0 0
54 125.026 1.027 6.888 1 U 0.121E+08 0.000E+00 e 0 0 0 0
55 114.121 0.894 7.285 1 U 0.153E+08 0.000E+00 e 0 0 0 0
56 114.121 1.042 7.281 1 U 0.196E+08 0.000E+00 e 0 0 0 0
57 114.121 6.898 7.278 1 U 0.262E+08 0.000E+00 e 0 0 0 0
58 114.121 7.281 7.279 1 U 0.113E+09 0.000E+00 e 0 0 0 0
59 123.681 0.897 6.901 1 U 0.271E+08 0.000E+00 e 0 0 0 0
60 123.681 1.015 6.905 1 U 0.275E+08 0.000E+00 e 0 0 0 0
61 123.681 4.551 6.876 1 U 0.144E+08 0.000E+00 e 0 0 0 0
62 123.681 6.894 6.889 1 U 0.746E+08 0.000E+00 e 0 0 0 0
63 123.681 7.277 6.897 1 U 0.296E+08 0.000E+00 e 0 0 0 0
64 132.786 6.272 6.282 1 U 0.414E+08 0.000E+00 e 0 0 0 0
65 132.786 6.589 6.281 1 U 0.272E+08 0.000E+00 e 0 0 0 0
66 132.786 1.234 6.279 1 U 0.175E+08 0.000E+00 e 0 0 0 0
67 132.786 0.937 6.279 1 U 0.159E+08 0.000E+00 e 0 0 0 0
68 132.786 -0.405 6.298 1 U 0.156E+08 0.000E+00 e 0 0 0 0
69 117.016 0.569 6.580 1 U 0.152E+08 0.000E+00 e 0 0 0 0
70 117.016 0.905 6.583 1 U 0.195E+08 0.000E+00 e 0 0 0 0
71 117.016 1.246 6.587 1 U 0.328E+08 0.000E+00 e 0 0 0 0
72 117.016 1.989 6.591 1 U 0.183E+08 0.000E+00 e 0 0 0 0
73 117.016 4.582 6.586 1 U 0.122E+08 0.000E+00 e 0 0 0 0
74 117.016 6.287 6.590 1 U 0.499E+08 0.000E+00 e 0 0 0 0
75 117.016 6.589 6.587 1 U 0.143E+09 0.000E+00 e 0 0 0 0
76 117.016 7.414 6.591 1 U 0.105E+08 0.000E+00 e 0 0 0 0
77 131.285 6.769 6.764 1 U 0.899E+08 0.000E+00 e 0 0 0 0
78 131.285 0.964 6.763 1 U 0.303E+08 0.000E+00 e 0 0 0 0
79 131.285 0.870 6.768 1 U 0.308E+08 0.000E+00 e 0 0 0 0
80 131.285 2.838 6.779 1 U 0.112E+08 0.000E+00 e 0 0 0 0
81 131.285 4.246 6.745 1 U 0.113E+08 0.000E+00 e 0 0 0 0
82 137.762 3.150 7.673 1 U 0.356E+08 0.000E+00 e 0 0 0 0
83 137.762 4.191 7.684 1 U 0.178E+08 0.000E+00 e 0 0 0 0
84 137.762 4.034 7.685 1 U 0.119E+08 0.000E+00 e 0 0 0 0
85 137.762 1.887 7.669 1 U 0.466E+08 0.000E+00 e 0 0 0 0
86 137.762 1.672 7.678 1 U 0.220E+08 0.000E+00 e 0 0 0 0
87 137.762 1.109 7.680 1 U 0.368E+08 0.000E+00 e 0 0 0 0
88 137.762 0.632 7.676 1 U 0.218E+08 0.000E+00 e 0 0 0 0
89 137.762 7.672 7.672 1 U 0.194E+10 0.000E+00 e 0 0 0 0
90 138.200 7.516 7.511 1 U 0.392E+09 0.000E+00 e 0 0 0 0
91 138.200 4.261 7.509 1 U 0.474E+08 0.000E+00 e 0 0 0 0
92 138.200 1.242 7.506 1 U 0.326E+08 0.000E+00 e 0 0 0 0
93 138.200 0.882 7.507 1 U 0.197E+08 0.000E+00 e 0 0 0 0
94 138.200 2.857 7.509 1 U 0.124E+08 0.000E+00 e 0 0 0 0
95 129.743 7.402 6.678 1 U 0.137E+08 0.000E+00 e 0 0 0 0
107 138.200 8.040 7.519 1 U 0.183E+08 0.000E+00 e 0 0 0 0
108 138.200 8.916 7.514 1 U 0.115E+08 0.000E+00 e 0 0 0 0
119 129.743 6.669 6.682 1 U 0.251E+08 0.000E+00 e 0 0 0 0
120 123.681 0.442 6.899 1 U 0.105E+08 0.000E+00 e 0 0 0 0
124 129.562 2.560 6.692 1 U 0.456E+07 0.000E+00 e 0 0 0 0
125 131.782 6.756 7.409 1 U 0.109E+08 0.000E+00 e 0 0 0 0
126 119.691 7.342 7.353 1 U 0.338E+08 0.000E+00 e 0 0 0 0
127 119.691 6.907 7.345 1 U 0.160E+08 0.000E+00 e 0 0 0 0
128 119.691 0.950 7.345 1 U 0.144E+08 0.000E+00 e 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 . 'not observed' 8814.964 Hz . . . 800.224 . . 31004 3
2 . . H 1 H-aromatic . 'not observed' 2403.846 Hz . . . 800.224 . . 31004 3
3 . . C 13 C-aromatic . 'not observed' 5232.246 Hz . . . 201.240 . . 31004 3
stop_
save_