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 30974
_Spectral_peak_list.ID 2
_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'
_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 9.654 8.664 0.729 1 U 0.712E+07 0.000E+00 e 0 0 0 0
2 9.638 8.493 0.726 1 U 0.225E+08 0.000E+00 e 0 0 0 0
3 9.633 8.248 0.725 1 U 0.202E+08 0.000E+00 e 0 0 0 0
4 9.631 8.069 0.728 1 U 0.112E+08 0.000E+00 e 0 0 0 0
5 9.652 7.949 0.727 1 U 0.717E+07 0.000E+00 e 0 0 0 0
6 9.629 4.089 0.726 1 U 0.140E+08 0.000E+00 e 0 0 0 0
7 9.654 3.977 0.726 1 U 0.104E+08 0.000E+00 e 0 0 0 0
8 9.641 3.678 0.725 1 U 0.823E+08 0.000E+00 e 0 0 0 0
9 9.636 2.152 0.725 1 U 0.457E+08 0.000E+00 e 0 0 0 0
10 9.695 1.959 0.725 1 U 0.268E+08 0.000E+00 e 0 0 0 0
11 9.695 1.743 0.728 1 U 0.533E+08 0.000E+00 e 0 0 0 0
12 9.695 1.576 0.728 1 U 0.144E+08 0.000E+00 e 0 0 0 0
13 9.695 1.421 0.728 1 U 0.751E+08 0.000E+00 e 0 0 0 0
14 9.695 0.938 0.725 1 U 0.791E+08 0.000E+00 e 0 0 0 0
15 9.695 0.755 0.723 1 U 0.760E+09 0.000E+00 e 0 0 0 0
16 9.695 3.886 0.726 1 U 0.619E+07 0.000E+00 e 0 0 0 0
17 14.022 8.419 0.443 1 U 0.816E+07 0.000E+00 e 0 0 0 0
18 14.001 8.206 0.445 1 U 0.101E+08 0.000E+00 e 0 0 0 0
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21 14.025 4.280 0.445 1 U 0.106E+08 0.000E+00 e 0 0 0 0
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23 13.989 1.353 0.446 1 U 0.327E+08 0.000E+00 e 0 0 0 0
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26 13.985 0.757 0.446 1 U 0.101E+09 0.000E+00 e 0 0 0 0
27 13.988 0.659 0.446 1 U 0.684E+08 0.000E+00 e 0 0 0 0
28 13.988 0.444 0.446 1 U 0.536E+09 0.000E+00 e 0 0 0 0
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31 18.298 7.948 1.464 1 U 0.619E+08 0.000E+00 e 0 0 0 0
32 18.283 3.969 1.464 1 U 0.177E+08 0.000E+00 e 0 0 0 0
33 18.289 3.877 1.464 1 U 0.110E+09 0.000E+00 e 0 0 0 0
34 18.292 0.962 1.464 1 U 0.474E+08 0.000E+00 e 0 0 0 0
35 18.286 0.786 1.463 1 U 0.768E+08 0.000E+00 e 0 0 0 0
36 18.291 0.660 1.464 1 U 0.684E+08 0.000E+00 e 0 0 0 0
37 18.314 1.978 1.461 1 U 0.342E+08 0.000E+00 e 0 0 0 0
38 18.314 2.086 1.459 1 U 0.211E+08 0.000E+00 e 0 0 0 0
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40 55.380 8.453 3.886 1 U 0.110E+08 0.000E+00 e 0 0 0 0
41 55.380 7.927 3.882 1 U 0.126E+08 0.000E+00 e 0 0 0 0
42 55.380 1.470 3.882 1 U 0.488E+08 0.000E+00 e 0 0 0 0
43 55.380 2.041 3.880 1 U 0.162E+08 0.000E+00 e 0 0 0 0
44 55.380 0.935 3.879 1 U 0.153E+08 0.000E+00 e 0 0 0 0
45 55.380 0.681 3.875 1 U 0.160E+08 0.000E+00 e 0 0 0 0
46 70.842 4.626 4.330 1 U 0.355E+08 0.000E+00 e 0 0 0 0
47 70.776 4.337 4.337 1 U 0.173E+09 0.000E+00 e 0 0 0 0
48 70.767 1.173 4.337 1 U 0.698E+08 0.000E+00 e 0 0 0 0
49 61.691 4.337 4.621 1 U 0.438E+08 0.000E+00 e 0 0 0 0
51 61.670 1.170 4.621 1 U 0.510E+08 0.000E+00 e 0 0 0 0
52 61.681 0.714 4.622 1 U 0.250E+08 0.000E+00 e 0 0 0 0
53 21.920 4.621 1.174 1 U 0.798E+08 0.000E+00 e 0 0 0 0
54 21.922 4.336 1.173 1 U 0.117E+09 0.000E+00 e 0 0 0 0
55 21.927 1.962 1.174 1 U 0.327E+08 0.000E+00 e 0 0 0 0
56 21.925 1.858 1.174 1 U 0.389E+08 0.000E+00 e 0 0 0 0
57 21.922 1.599 1.174 1 U 0.556E+08 0.000E+00 e 0 0 0 0
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59 21.936 2.935 1.174 1 U 0.168E+08 0.000E+00 e 0 0 0 0
61 21.907 9.440 1.174 1 U 0.206E+08 0.000E+00 e 0 0 0 0
62 21.938 8.380 1.175 1 U 0.819E+07 0.000E+00 e 0 0 0 0
63 21.893 7.841 1.175 1 U 0.128E+08 0.000E+00 e 0 0 0 0
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66 21.950 2.136 1.171 1 U 0.154E+08 0.000E+00 e 0 0 0 0
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68 52.355 2.605 5.364 1 U 0.101E+08 0.000E+00 e 0 0 0 0
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93 34.471 1.858 1.872 1 U 0.454E+08 0.000E+00 e 0 0 0 0
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101 21.255 8.569 0.775 1 U 0.541E+08 0.000E+00 e 0 0 0 0
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110 21.226 5.369 0.772 1 U 0.128E+08 0.000E+00 e 0 0 0 0
111 21.189 4.776 0.771 1 U 0.117E+08 0.000E+00 e 0 0 0 0
112 21.292 4.604 0.781 1 U 0.550E+07 0.000E+00 e 0 0 0 0
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128 41.568 8.212 1.749 1 U 0.593E+07 0.000E+00 e 0 0 0 0
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715 45.128 8.905 3.564 1 U 0.459E+07 0.000E+00 e 0 0 0 0
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734 28.458 8.107 1.790 1 U 0.787E+07 0.000E+00 e 0 0 0 0
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736 28.458 3.244 2.008 1 U 0.154E+08 0.000E+00 e 0 0 0 0
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739 59.432 1.992 3.974 1 U 0.400E+08 0.000E+00 e 0 0 0 0
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746 29.900 3.971 1.985 1 U 0.319E+08 0.000E+00 e 0 0 0 0
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748 27.200 8.463 1.798 1 U 0.113E+08 0.000E+00 e 0 0 0 0
749 27.200 8.448 1.614 1 U 0.692E+07 0.000E+00 e 0 0 0 0
750 29.728 7.982 2.691 1 U 0.329E+07 0.000E+00 e 0 0 0 0
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763 33.978 2.056 2.539 1 U 0.811E+07 0.000E+00 e 0 0 0 0
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775 62.130 0.966 4.216 1 U 0.132E+08 0.000E+00 e 0 0 0 0
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777 62.128 4.356 4.217 1 U 0.905E+07 0.000E+00 e 0 0 0 0
778 62.128 8.433 4.225 1 U 0.908E+07 0.000E+00 e 0 0 0 0
779 32.229 8.893 2.008 1 U 0.708E+07 0.000E+00 e 0 0 0 0
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781 52.355 1.962 5.365 1 U 0.827E+07 0.000E+00 e 0 0 0 0
782 56.037 7.677 4.321 1 U 0.168E+08 0.000E+00 e 0 0 0 0
783 56.037 7.966 4.323 1 U 0.145E+08 0.000E+00 e 0 0 0 0
784 56.037 2.095 4.323 1 U 0.145E+08 0.000E+00 e 0 0 0 0
785 56.037 2.229 4.321 1 U 0.269E+08 0.000E+00 e 0 0 0 0
786 56.037 2.325 4.318 1 U 0.139E+08 0.000E+00 e 0 0 0 0
787 56.037 2.585 4.320 1 U 0.213E+08 0.000E+00 e 0 0 0 0
788 57.519 2.103 4.428 1 U 0.146E+08 0.000E+00 e 0 0 0 0
789 59.117 8.189 4.029 1 U 0.124E+08 0.000E+00 e 0 0 0 0
790 59.117 7.974 4.023 1 U 0.694E+07 0.000E+00 e 0 0 0 0
791 36.570 8.174 2.464 1 U 0.116E+08 0.000E+00 e 0 0 0 0
792 36.570 8.248 2.219 1 U 0.822E+07 0.000E+00 e 0 0 0 0
793 36.570 4.023 2.471 1 U 0.161E+08 0.000E+00 e 0 0 0 0
794 36.570 4.030 2.223 1 U 0.221E+08 0.000E+00 e 0 0 0 0
795 36.570 2.473 2.481 1 U 0.690E+08 0.000E+00 e 0 0 0 0
796 36.570 2.207 2.481 1 U 0.448E+08 0.000E+00 e 0 0 0 0
797 36.570 2.036 2.483 1 U 0.117E+08 0.000E+00 e 0 0 0 0
798 24.766 8.196 0.885 1 U 0.683E+07 0.000E+00 e 0 0 0 0
799 57.458 8.063 3.777 1 U 0.563E+07 0.000E+00 e 0 0 0 0
800 21.274 8.070 0.667 1 U 0.105E+08 0.000E+00 e 0 0 0 0
803 21.322 3.891 0.664 1 U 0.583E+07 0.000E+00 e 0 0 0 0
804 21.290 3.777 0.667 1 U 0.262E+08 0.000E+00 e 0 0 0 0
805 21.295 7.010 0.667 1 U 0.742E+07 0.000E+00 e 0 0 0 0
806 21.278 2.021 0.668 1 U 0.329E+08 0.000E+00 e 0 0 0 0
807 21.276 1.809 0.666 1 U 0.753E+07 0.000E+00 e 0 0 0 0
808 21.280 1.396 0.667 1 U 0.221E+08 0.000E+00 e 0 0 0 0
809 21.295 0.464 0.664 1 U 0.188E+08 0.000E+00 e 0 0 0 0
810 21.295 0.880 0.674 1 U 0.241E+08 0.000E+00 e 0 0 0 0
811 59.732 8.204 4.099 1 U 0.195E+08 0.000E+00 e 0 0 0 0
812 59.732 8.456 4.105 1 U 0.103E+08 0.000E+00 e 0 0 0 0
813 59.732 2.325 4.100 1 U 0.447E+08 0.000E+00 e 0 0 0 0
814 59.732 2.162 4.100 1 U 0.497E+08 0.000E+00 e 0 0 0 0
815 59.732 1.999 4.102 1 U 0.302E+08 0.000E+00 e 0 0 0 0
816 32.207 4.245 2.017 1 U 0.383E+07 0.000E+00 e 0 0 0 0
817 29.000 8.211 2.065 1 U 0.188E+08 0.000E+00 e 0 0 0 0
818 29.000 8.233 2.161 1 U 0.166E+08 0.000E+00 e 0 0 0 0
819 58.439 2.006 4.246 1 U 0.132E+08 0.000E+00 e 0 0 0 0
820 58.439 0.642 4.246 1 U 0.234E+08 0.000E+00 e 0 0 0 0
821 41.632 4.252 1.527 1 U 0.276E+07 0.000E+00 e 0 0 0 0
822 41.632 4.252 2.022 1 U 0.248E+07 0.000E+00 e 0 0 0 0
823 41.632 8.456 1.527 1 U 0.169E+07 0.000E+00 e 0 0 0 0
824 41.632 8.463 2.020 1 U 0.284E+07 0.000E+00 e 0 0 0 0
825 22.564 2.029 0.641 1 U 0.216E+08 0.000E+00 e 0 0 0 0
826 22.572 1.541 0.640 1 U 0.195E+08 0.000E+00 e 0 0 0 0
827 22.567 1.419 0.640 1 U 0.293E+08 0.000E+00 e 0 0 0 0
828 22.590 0.774 0.641 1 U 0.932E+08 0.000E+00 e 0 0 0 0
829 22.583 0.645 0.641 1 U 0.505E+09 0.000E+00 e 0 0 0 0
830 22.620 0.449 0.642 1 U 0.121E+08 0.000E+00 e 0 0 0 0
831 22.597 4.246 0.640 1 U 0.255E+08 0.000E+00 e 0 0 0 0
834 22.624 7.010 0.641 1 U 0.130E+08 0.000E+00 e 0 0 0 0
835 22.514 8.418 0.641 1 U 0.761E+07 0.000E+00 e 0 0 0 0
836 22.586 8.237 0.635 1 U 0.571E+07 0.000E+00 e 0 0 0 0
837 22.569 8.058 0.642 1 U 0.509E+07 0.000E+00 e 0 0 0 0
838 25.778 8.441 0.668 1 U 0.787E+07 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' 11203.133 Hz . . . 4.7 . . 30974 2
2 . . C 13 C . 'not observed' 14085.647 Hz . . . 42.661 . . 30974 2
3 . . H 1 H . 'not observed' 6016.322 Hz . . . 4.7 . . 30974 2
stop_
save_