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 34521
_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 5
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY 12C/14N filtered'
_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
#SPECTRUM C13NOESY H HC C
8 0.938 7.298 130.399 1 T 5.748e+08 0.00e+00 a 0 0 0 0 0
9 1.097 7.208 129.284 1 T 2.104e+08 0.00e+00 a 0 0 0 0 0
10 0.948 7.204 129.215 1 T 3.129e+08 0.00e+00 a 0 0 0 0 0
11 1.083 7.297 130.232 1 T 2.937e+08 0.00e+00 a 0 0 0 0 0
12 0.924 2.082 16.712 1 T 3.110e+09 0.00e+00 a 0 0 0 0 0
13 0.919 1.910 16.923 1 T 2.860e+09 0.00e+00 a 0 0 0 0 0
14 1.494 2.083 16.729 1 T 6.870e+08 0.00e+00 a 0 0 0 0 0
15 2.920 2.083 16.705 1 T 1.375e+09 0.00e+00 a 0 0 0 0 0
16 2.927 1.907 16.870 1 T 7.938e+07 0.00e+00 a 0 0 0 0 0
17 4.479 2.083 16.713 1 T 4.282e+08 0.00e+00 a 0 0 0 0 0
18 4.273 2.083 16.707 1 T 5.040e+08 0.00e+00 a 0 0 0 0 0
19 3.996 2.083 16.696 1 T 8.353e+08 0.00e+00 a 0 0 0 0 0
20 1.492 1.911 16.995 1 T 7.288e+08 0.00e+00 a 0 0 0 0 0
22 0.946 1.747 18.233 1 T 1.440e+08 0.00e+00 a 0 0 0 0 0
23 0.943 1.705 18.281 1 T 2.415e+09 0.00e+00 a 0 0 0 0 0
24 0.941 1.783 18.117 1 T 3.010e+09 0.00e+00 a 0 0 0 0 0
26 0.911 1.975 17.718 1 T 2.319e+09 0.00e+00 a 0 0 0 0 0
27 0.926 1.668 17.740 1 T 9.612e+08 0.00e+00 a 0 0 0 0 0
28 1.369 1.783 18.128 1 T 2.189e+08 0.00e+00 a 0 0 0 0 0
29 4.001 1.783 18.198 1 T 1.411e+08 0.00e+00 a 0 0 0 0 0
30 4.014 1.707 18.327 1 T 7.265e+07 0.00e+00 a 0 0 0 0 0
31 3.757 1.705 18.292 1 T 3.420e+08 0.00e+00 a 0 0 0 0 0
32 3.749 1.783 18.134 1 T 4.124e+08 0.00e+00 a 0 0 0 0 0
33 4.299 1.974 17.645 1 T 1.409e+08 0.00e+00 a 0 0 0 0 0
34 3.893 1.975 17.725 1 T 2.942e+08 0.00e+00 a 0 0 0 0 0
35 4.222 1.912 16.991 1 T 1.051e+08 0.00e+00 a 0 0 0 0 0
36 3.977 1.792 17.180 1 T 8.872e+07 0.00e+00 a 0 0 0 0 0
37 3.990 1.911 17.174 1 T 9.324e+07 0.00e+00 a 0 0 0 0 0
38 3.884 1.911 16.952 1 T 3.943e+08 0.00e+00 a 0 0 0 0 0
39 3.779 2.100 17.233 1 T 9.690e+07 0.00e+00 a 0 0 0 0 0
40 0.830 1.411 18.366 1 T 5.424e+08 0.00e+00 a 0 0 0 0 0
41 0.948 0.288 20.457 1 T 8.140e+08 0.00e+00 a 0 0 0 0 0
42 7.091 1.782 18.073 1 T 9.577e+07 0.00e+00 a 0 0 0 0 0
43 7.103 1.791 17.159 1 T 1.814e+08 0.00e+00 a 0 0 0 0 0
44 7.107 2.083 16.691 1 T 2.167e+08 0.00e+00 a 0 0 0 0 0
45 7.100 1.906 16.846 1 T 1.802e+08 0.00e+00 a 0 0 0 0 0
46 8.468 1.782 18.153 1 T 1.115e+08 0.00e+00 a 0 0 0 0 0
47 8.463 1.706 18.319 1 T 9.629e+07 0.00e+00 a 0 0 0 0 0
48 8.468 1.974 17.684 1 T 1.512e+08 0.00e+00 a 0 0 0 0 0
49 8.607 1.912 16.972 1 T 8.975e+07 0.00e+00 a 0 0 0 0 0
50 8.466 1.912 17.064 1 T 1.283e+08 0.00e+00 a 0 0 0 0 0
51 8.608 2.081 16.749 1 T 3.188e+08 0.00e+00 a 0 0 0 0 0
52 8.479 2.082 16.669 1 T 3.277e+08 0.00e+00 a 0 0 0 0 0
53 8.153 2.081 16.579 1 T 8.386e+07 0.00e+00 a 0 0 0 0 0
54 4.291 1.878 17.809 1 T 2.953e+07 0.00e+00 a 0 0 0 0 0
55 4.311 1.893 17.077 1 T 4.850e+07 0.00e+00 a 0 0 0 0 0
56 4.481 1.793 17.151 1 T 4.316e+07 0.00e+00 a 0 0 0 0 0
57 3.948 1.851 17.175 1 T 2.616e+07 0.00e+00 a 0 0 0 0 0
58 1.508 1.975 17.708 1 T 7.695e+08 0.00e+00 a 0 0 0 0 0
59 2.911 1.790 17.345 1 T 6.052e+07 0.00e+00 a 0 0 0 0 0
62 1.994 1.705 18.291 1 T 6.307e+08 0.00e+00 a 0 0 0 0 0
63 2.309 1.707 18.317 1 T 8.946e+07 0.00e+00 a 0 0 0 0 0
64 1.083 1.670 17.693 1 T 2.818e+08 0.00e+00 a 0 0 0 0 0
65 0.954 1.414 18.944 1 T 1.944e+08 0.00e+00 a 0 0 0 0 0
66 2.014 1.414 18.984 1 T 4.066e+07 0.00e+00 a 0 0 0 0 0
67 1.903 1.400 18.848 1 T 4.910e+07 0.00e+00 a 0 0 0 0 0
68 0.943 0.649 23.147 1 T 1.646e+08 0.00e+00 a 0 0 0 0 0
69 1.563 0.867 23.692 1 T 2.330e+08 0.00e+00 a 0 0 0 0 0
71 0.924 1.078 22.754 1 T 6.207e+08 0.00e+00 a 0 0 0 0 0
72 1.103 0.819 22.783 1 T 7.174e+07 0.00e+00 a 0 0 0 0 0
74 1.764 1.082 22.661 1 T 1.062e+08 0.00e+00 a 0 0 0 0 0
75 2.027 0.868 23.589 1 T 3.797e+08 0.00e+00 a 0 0 0 0 0
76 1.640 0.771 24.034 1 T 6.981e+07 0.00e+00 a 0 0 0 0 0
78 2.089 0.816 22.677 1 T 4.089e+08 0.00e+00 a 0 0 0 0 0
79 1.902 0.813 22.681 1 T 1.708e+08 0.00e+00 a 0 0 0 0 0
81 1.555 0.815 22.756 1 T 1.314e+08 0.00e+00 a 0 0 0 0 0
82 1.744 0.864 21.090 1 T 7.830e+07 0.00e+00 a 0 0 0 0 0
83 2.260 0.816 22.738 1 T 1.874e+08 0.00e+00 a 0 0 0 0 0
84 1.864 0.869 23.534 1 T 2.166e+08 0.00e+00 a 0 0 0 0 0
85 1.073 0.770 24.103 1 T 3.033e+08 0.00e+00 a 0 0 0 0 0
86 3.327 0.815 22.656 1 T 1.718e+08 0.00e+00 a 0 0 0 0 0
87 3.859 0.813 22.688 1 T 2.030e+08 0.00e+00 a 0 0 0 0 0
88 3.301 0.868 23.529 1 T 1.529e+08 0.00e+00 a 0 0 0 0 0
89 3.875 0.866 23.548 1 T 2.897e+08 0.00e+00 a 0 0 0 0 0
90 1.637 1.084 22.542 1 T 4.597e+07 0.00e+00 a 0 0 0 0 0
91 2.131 0.874 23.826 1 T 3.250e+08 0.00e+00 a 0 0 0 0 0
92 0.924 0.970 23.029 1 T 1.235e+09 0.00e+00 a 0 0 0 0 0
93 1.996 0.969 23.322 1 T 7.426e+07 0.00e+00 a 0 0 0 0 0
95 2.033 0.767 26.147 1 T 2.303e+08 0.00e+00 a 0 0 0 0 0
96 1.975 0.849 25.949 1 T 3.106e+08 0.00e+00 a 0 0 0 0 0
97 1.569 0.850 25.964 1 T 1.753e+08 0.00e+00 a 0 0 0 0 0
98 1.570 0.762 26.190 1 T 6.734e+07 0.00e+00 a 0 0 0 0 0
101 3.871 0.852 25.928 1 T 3.225e+08 0.00e+00 a 0 0 0 0 0
102 3.864 0.767 26.178 1 T 3.239e+08 0.00e+00 a 0 0 0 0 0
103 3.294 0.850 25.948 1 T 1.081e+08 0.00e+00 a 0 0 0 0 0
104 3.257 0.774 26.050 1 T 7.118e+07 0.00e+00 a 0 0 0 0 0
105 1.896 0.766 26.115 1 T 1.468e+08 0.00e+00 a 0 0 0 0 0
106 1.084 0.767 26.183 1 T 2.147e+08 0.00e+00 a 0 0 0 0 0
107 1.495 2.104 29.732 1 T 1.205e+08 0.00e+00 a 0 0 0 0 0
109 0.835 1.992 29.301 1 T 2.570e+08 0.00e+00 a 0 0 0 0 0
111 0.900 2.093 29.706 1 T 3.529e+08 0.00e+00 a 0 0 0 0 0
112 0.896 2.076 29.398 1 T 2.761e+08 0.00e+00 a 0 0 0 0 0
113 0.910 2.186 29.288 1 T 3.292e+08 0.00e+00 a 0 0 0 0 0
115 0.836 2.145 29.242 1 T 2.598e+08 0.00e+00 a 0 0 0 0 0
116 0.913 2.263 29.276 1 T 1.603e+08 0.00e+00 a 0 0 0 0 0
117 0.943 2.695 33.545 1 T 2.829e+08 0.00e+00 a 0 0 0 0 0
118 0.830 2.335 36.919 1 T 5.418e+08 0.00e+00 a 0 0 0 0 0
123 0.838 2.397 36.284 1 T 2.968e+08 0.00e+00 a 0 0 0 0 0
125 0.914 2.304 35.965 1 T 3.833e+08 0.00e+00 a 0 0 0 0 0
126 0.830 2.821 42.783 1 T 1.173e+08 0.00e+00 a 0 0 0 0 0
128 0.827 2.680 42.786 1 T 7.845e+07 0.00e+00 a 0 0 0 0 0
131 0.920 1.732 41.760 1 T 1.033e+08 0.00e+00 a 0 0 0 0 0
132 0.924 1.846 41.768 1 T 7.260e+07 0.00e+00 a 0 0 0 0 0
133 0.830 2.016 37.977 1 T 1.023e+08 0.00e+00 a 0 0 0 0 0
134 0.938 2.374 31.857 1 T 1.164e+08 0.00e+00 a 0 0 0 0 0
137 0.919 2.462 37.016 1 T 1.471e+08 0.00e+00 a 0 0 0 0 0
138 0.932 7.411 132.375 1 T 5.718e+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-aliphatic . . 12 ppm . . . 4.7 . . 34521 2
2 . . C 13 C-aliphatic . aliased 35 ppm . . . 43 . . 34521 2
3 . . H 1 H . aliased 12 ppm . . . 4.7 . . 34521 2
stop_
save_