Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 30532
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_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 3
_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 H
# INAME 2 C
# INAME 3 h
# CYANAFORMAT HCh
1 7.162 111.978 7.156 1 T 1.606e+00 0.00e+00 a 0 0 0 0 0
2 7.163 111.926 6.648 1 T 1.805e-01 0.00e+00 a 0 0 0 0 0
3 7.166 111.967 4.092 1 T 1.456e-01 0.00e+00 a 0 0 0 0 0
4 7.163 111.982 1.755 1 T 2.650e-01 0.00e+00 a 0 0 0 0 0
5 7.162 111.921 0.211 1 T 1.301e-01 0.00e+00 a 0 0 0 0 0
6 7.153 111.891 1.023 1 T 4.400e-02 0.00e+00 a 0 0 0 0 0
7 6.292 114.697 6.281 1 T 6.787e-01 0.00e+00 a 0 0 0 0 0
8 6.279 114.686 5.852 1 T 5.930e-02 0.00e+00 a 0 0 0 0 0
9 6.294 114.725 4.051 1 T 7.640e-02 0.00e+00 a 0 0 0 0 0
10 6.277 114.680 2.741 1 T 4.760e-02 0.00e+00 a 0 0 0 0 0
11 6.294 114.713 2.437 1 T 4.470e-02 0.00e+00 a 0 0 0 0 0
12 6.308 114.624 7.342 1 T 3.370e-02 0.00e+00 a 0 0 0 0 0
13 6.593 115.571 6.574 1 T 3.619e+00 0.00e+00 a 0 0 0 0 0
14 6.592 115.566 6.847 1 T 9.116e-01 0.00e+00 a 0 0 0 0 0
15 6.588 115.635 1.346 1 T 4.350e-02 0.00e+00 a 0 0 0 0 0
16 6.591 115.571 0.642 1 T 1.647e-01 0.00e+00 a 0 0 0 0 0
17 6.597 115.586 0.325 1 T 9.340e-02 0.00e+00 a 0 0 0 0 0
18 6.602 115.622 -1.193 1 T 5.010e-02 0.00e+00 a 0 0 0 0 0
19 6.792 116.575 6.780 1 T 1.134e+01 0.00e+00 a 0 0 0 0 0
20 6.787 116.876 4.267 1 T 9.340e-02 0.00e+00 a 0 0 0 0 0
21 6.784 116.878 2.886 1 T 1.091e-01 0.00e+00 a 0 0 0 0 0
22 7.551 118.286 6.541 1 T 1.136e-01 0.00e+00 a 0 0 0 0 0
23 7.555 116.778 7.546 1 T 5.052e-01 0.00e+00 a 0 0 0 0 0
24 7.554 117.720 7.545 1 T 3.664e-01 0.00e+00 a 0 0 0 0 0
25 7.556 116.844 3.279 1 T 6.010e-02 0.00e+00 a 0 0 0 0 0
26 6.653 119.843 6.638 1 T 5.784e-01 0.00e+00 a 0 0 0 0 0
27 6.651 119.896 7.148 1 T 1.112e-01 0.00e+00 a 0 0 0 0 0
28 6.651 119.929 3.248 1 T 5.820e-02 0.00e+00 a 0 0 0 0 0
29 6.656 119.914 1.746 1 T 6.580e-02 0.00e+00 a 0 0 0 0 0
30 6.646 119.963 0.271 1 T 6.180e-02 0.00e+00 a 0 0 0 0 0
31 6.657 120.027 2.708 1 T 3.870e-02 0.00e+00 a 0 0 0 0 0
32 6.649 119.904 4.090 1 T 4.150e-02 0.00e+00 a 0 0 0 0 0
33 7.435 123.791 7.429 1 T 3.707e+00 0.00e+00 a 0 0 0 0 0
34 7.432 123.762 5.447 1 T 4.320e-02 0.00e+00 a 0 0 0 0 0
35 7.434 123.791 4.643 1 T 1.539e-01 0.00e+00 a 0 0 0 0 0
36 7.432 123.714 3.275 1 T 6.910e-02 0.00e+00 a 0 0 0 0 0
37 7.433 123.704 3.059 1 T 9.610e-02 0.00e+00 a 0 0 0 0 0
38 7.432 123.728 0.198 1 T 4.860e-02 0.00e+00 a 0 0 0 0 0
39 7.028 126.014 7.013 1 T 1.406e+00 0.00e+00 a 0 0 0 0 0
40 7.027 126.020 7.410 1 T 3.006e-01 0.00e+00 a 0 0 0 0 0
41 7.025 125.990 4.598 1 T 9.760e-02 0.00e+00 a 0 0 0 0 0
42 7.021 126.006 3.158 1 T 6.460e-02 0.00e+00 a 0 0 0 0 0
43 7.022 126.022 2.912 1 T 3.490e-02 0.00e+00 a 0 0 0 0 0
44 7.029 125.811 1.979 1 T 3.840e-02 0.00e+00 a 0 0 0 0 0
45 7.031 125.997 1.143 1 T 8.880e-02 0.00e+00 a 0 0 0 0 0
46 6.447 127.353 6.440 1 T 1.851e-01 0.00e+00 a 0 0 0 0 0
47 6.446 127.306 6.996 1 T 5.290e-02 0.00e+00 a 0 0 0 0 0
48 6.445 127.241 4.715 1 T 5.180e-02 0.00e+00 a 0 0 0 0 0
49 5.255 127.901 5.247 1 T 3.199e+00 0.00e+00 a 0 0 0 0 0
50 5.261 127.882 2.935 1 T 1.811e-01 0.00e+00 a 0 0 0 0 0
51 5.258 127.904 2.471 1 T 1.924e-01 0.00e+00 a 0 0 0 0 0
52 5.256 127.920 1.650 1 T 7.730e-02 0.00e+00 a 0 0 0 0 0
53 5.256 127.803 1.385 1 T 8.920e-02 0.00e+00 a 0 0 0 0 0
54 5.255 127.875 0.660 1 T 6.100e-02 0.00e+00 a 0 0 0 0 0
55 6.990 127.889 7.001 1 T 5.066e-01 0.00e+00 a 0 0 0 0 0
56 6.989 127.775 6.458 1 T 9.430e-02 0.00e+00 a 0 0 0 0 0
57 6.979 127.855 7.694 1 T 3.450e-02 0.00e+00 a 0 0 0 0 0
58 6.991 127.820 3.298 1 T 5.080e-02 0.00e+00 a 0 0 0 0 0
59 6.986 127.887 0.379 1 T 1.066e-01 0.00e+00 a 0 0 0 0 0
60 7.110 127.847 7.066 1 T 5.909e-01 0.00e+00 a 0 0 0 0 0
61 7.108 127.806 6.464 1 T 4.040e-02 0.00e+00 a 0 0 0 0 0
62 7.121 127.845 7.717 1 T 3.860e-02 0.00e+00 a 0 0 0 0 0
63 7.118 127.833 5.782 1 T 5.160e-02 0.00e+00 a 0 0 0 0 0
64 7.109 128.000 5.147 1 T 3.340e-02 0.00e+00 a 0 0 0 0 0
65 7.118 127.828 3.261 1 T 4.750e-02 0.00e+00 a 0 0 0 0 0
66 7.112 127.822 0.375 1 T 1.077e-01 0.00e+00 a 0 0 0 0 0
67 7.297 128.999 7.288 1 T 6.146e-01 0.00e+00 a 0 0 0 0 0
68 7.300 128.804 7.046 1 T 1.142e-01 0.00e+00 a 0 0 0 0 0
69 7.294 129.055 6.255 1 T 3.270e-02 0.00e+00 a 0 0 0 0 0
70 7.291 129.068 5.338 1 T 3.370e-02 0.00e+00 a 0 0 0 0 0
71 7.295 128.831 3.266 1 T 6.340e-02 0.00e+00 a 0 0 0 0 0
72 7.302 129.033 2.840 1 T 7.050e-02 0.00e+00 a 0 0 0 0 0
73 7.296 128.870 1.172 1 T 6.000e-02 0.00e+00 a 0 0 0 0 0
74 7.294 128.835 0.331 1 T 4.130e-02 0.00e+00 a 0 0 0 0 0
75 7.700 129.338 7.358 1 T 1.081e-01 0.00e+00 a 0 0 0 0 0
76 7.719 129.626 7.708 1 T 7.799e-01 0.00e+00 a 0 0 0 0 0
77 7.719 128.978 7.057 1 T 1.650e-01 0.00e+00 a 0 0 0 0 0
78 7.723 129.647 3.145 1 T 1.133e-01 0.00e+00 a 0 0 0 0 0
79 6.869 129.967 6.852 1 T 2.823e+00 0.00e+00 a 0 0 0 0 0
80 6.869 129.957 6.582 1 T 7.956e-01 0.00e+00 a 0 0 0 0 0
81 6.875 129.931 4.161 1 T 7.220e-02 0.00e+00 a 0 0 0 0 0
82 6.871 129.994 3.881 1 T 1.045e-01 0.00e+00 a 0 0 0 0 0
83 6.858 129.976 3.390 1 T 1.782e-01 0.00e+00 a 0 0 0 0 0
84 6.864 129.992 3.192 1 T 1.683e-01 0.00e+00 a 0 0 0 0 0
85 6.875 129.978 0.702 1 T 1.095e-01 0.00e+00 a 0 0 0 0 0
86 6.859 129.993 0.286 1 T 1.192e-01 0.00e+00 a 0 0 0 0 0
87 7.438 129.626 1.151 1 T 5.130e-02 0.00e+00 a 0 0 0 0 0
88 5.781 137.097 5.777 1 T 2.927e+00 0.00e+00 a 0 0 0 0 0
89 5.779 137.114 7.081 1 T 1.975e-01 0.00e+00 a 0 0 0 0 0
90 5.781 136.294 7.614 1 T 6.250e-02 0.00e+00 a 0 0 0 0 0
91 5.781 137.091 5.126 1 T 5.610e-01 0.00e+00 a 0 0 0 0 0
92 5.781 137.117 4.259 1 T 5.384e-01 0.00e+00 a 0 0 0 0 0
93 5.776 136.880 3.772 1 T 5.460e-02 0.00e+00 a 0 0 0 0 0
94 5.782 137.084 1.099 1 T 4.509e-01 0.00e+00 a 0 0 0 0 0
95 5.782 137.106 0.374 1 T 7.270e-02 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 . . 14.0187 ppm . . . 4.77 . . 30532 2
2 . . C 13 C-aromatic . . 40.0 ppm . . . 120.0 . . 30532 2
3 . . H 1 H . . 14.0187 ppm . . . 4.77 . . 30532 2
stop_
save_