Content for NMR-STAR saveframe, "spectral_peak_list_1"
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 31033
_Spectral_peak_list.ID 1
_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 9
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic'
_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 55.828 1.938 4.356 1 U 0.148E+08 0.000E+00 e 0 0 0 0
2 55.740 2.422 4.356 1 U 0.520E+07 0.000E+00 e 0 0 0 0
3 33.768 4.361 1.940 1 U 0.777E+07 0.000E+00 e 0 0 0 0
4 33.775 2.407 1.934 1 U 0.655E+07 0.000E+00 e 0 0 0 0
5 53.750 4.701 4.698 1 U 0.622E+08 0.000E+00 e 0 0 0 0
6 41.054 2.626 2.921 1 U 0.249E+08 0.000E+00 e 0 0 0 0
7 41.054 2.109 2.937 1 U 0.466E+07 0.000E+00 e 0 0 0 0
8 41.054 2.098 2.631 1 U 0.249E+07 0.000E+00 e 0 0 0 0
9 41.054 2.647 2.625 1 U 0.263E+08 0.000E+00 e 0 0 0 0
10 41.054 2.932 2.652 1 U 0.137E+08 0.000E+00 e 0 0 0 0
11 41.017 4.719 2.919 1 U 0.525E+07 0.000E+00 e 0 0 0 0
12 41.081 4.700 2.630 1 U 0.652E+07 0.000E+00 e 0 0 0 0
13 64.281 0.824 3.715 1 U 0.136E+08 0.000E+00 e 0 0 0 0
14 64.281 0.967 3.712 1 U 0.827E+07 0.000E+00 e 0 0 0 0
15 64.281 1.920 3.709 1 U 0.148E+08 0.000E+00 e 0 0 0 0
16 64.281 8.417 3.706 1 U 0.521E+07 0.000E+00 e 0 0 0 0
17 64.281 8.328 3.712 1 U 0.391E+07 0.000E+00 e 0 0 0 0
18 37.754 8.428 1.927 1 U 0.107E+08 0.000E+00 e 0 0 0 0
19 37.745 8.325 1.924 1 U 0.110E+08 0.000E+00 e 0 0 0 0
20 37.718 8.084 1.915 1 U 0.902E+07 0.000E+00 e 0 0 0 0
21 37.648 7.355 1.935 1 U 0.828E+07 0.000E+00 e 0 0 0 0
22 37.767 3.712 1.926 1 U 0.116E+08 0.000E+00 e 0 0 0 0
23 37.648 3.965 1.944 1 U 0.429E+07 0.000E+00 e 0 0 0 0
24 37.648 1.905 1.924 1 U 0.121E+09 0.000E+00 e 0 0 0 0
25 37.648 1.777 1.924 1 U 0.577E+07 0.000E+00 e 0 0 0 0
26 37.648 1.611 1.935 1 U 0.842E+07 0.000E+00 e 0 0 0 0
27 37.648 1.247 1.933 1 U 0.414E+07 0.000E+00 e 0 0 0 0
28 37.648 0.964 1.924 1 U 0.118E+08 0.000E+00 e 0 0 0 0
29 37.648 0.858 1.927 1 U 0.179E+08 0.000E+00 e 0 0 0 0
30 37.648 0.810 1.924 1 U 0.237E+08 0.000E+00 e 0 0 0 0
31 37.648 0.732 1.933 1 U 0.969E+07 0.000E+00 e 0 0 0 0
32 37.648 1.937 1.947 1 U 0.861E+08 0.000E+00 e 0 0 0 0
33 13.320 0.844 0.860 1 U 0.857E+09 0.000E+00 e 0 0 0 0
34 13.320 0.970 0.854 1 U 0.187E+08 0.000E+00 e 0 0 0 0
35 13.320 1.222 0.866 1 U 0.997E+07 0.000E+00 e 0 0 0 0
36 13.320 1.287 0.860 1 U 0.792E+07 0.000E+00 e 0 0 0 0
37 13.320 1.462 0.860 1 U 0.695E+07 0.000E+00 e 0 0 0 0
38 13.320 1.631 0.851 1 U 0.114E+08 0.000E+00 e 0 0 0 0
39 13.320 1.865 0.857 1 U 0.788E+07 0.000E+00 e 0 0 0 0
40 13.320 1.937 0.857 1 U 0.143E+08 0.000E+00 e 0 0 0 0
41 13.320 2.074 0.863 1 U 0.707E+07 0.000E+00 e 0 0 0 0
42 13.320 3.708 0.851 1 U 0.916E+07 0.000E+00 e 0 0 0 0
43 13.320 3.948 0.860 1 U 0.711E+07 0.000E+00 e 0 0 0 0
44 13.320 8.088 0.860 1 U 0.800E+07 0.000E+00 e 0 0 0 0
45 13.320 8.414 0.863 1 U 0.511E+07 0.000E+00 e 0 0 0 0
46 18.194 1.269 0.973 1 U 0.694E+07 0.000E+00 e 0 0 0 0
47 18.146 2.079 0.971 1 U 0.421E+07 0.000E+00 e 0 0 0 0
48 18.115 1.926 0.974 1 U 0.319E+08 0.000E+00 e 0 0 0 0
49 18.124 1.606 0.972 1 U 0.123E+08 0.000E+00 e 0 0 0 0
50 18.200 0.818 0.972 1 U 0.186E+08 0.000E+00 e 0 0 0 0
51 18.132 4.135 0.972 1 U 0.671E+07 0.000E+00 e 0 0 0 0
52 18.120 3.706 0.974 1 U 0.132E+08 0.000E+00 e 0 0 0 0
53 18.087 8.424 0.974 1 U 0.105E+08 0.000E+00 e 0 0 0 0
54 18.104 8.321 0.973 1 U 0.126E+08 0.000E+00 e 0 0 0 0
55 28.998 0.835 1.606 1 U 0.112E+08 0.000E+00 e 0 0 0 0
56 28.998 0.978 1.606 1 U 0.689E+07 0.000E+00 e 0 0 0 0
57 28.998 1.276 1.608 1 U 0.233E+08 0.000E+00 e 0 0 0 0
58 28.995 1.604 1.606 1 U 0.117E+09 0.000E+00 e 0 0 0 0
59 28.998 1.885 1.600 1 U 0.264E+08 0.000E+00 e 0 0 0 0
60 28.998 1.925 1.257 1 U 0.528E+07 0.000E+00 e 0 0 0 0
61 28.998 1.605 1.259 1 U 0.257E+08 0.000E+00 e 0 0 0 0
62 28.998 1.256 1.263 1 U 0.699E+08 0.000E+00 e 0 0 0 0
63 28.998 0.961 1.265 1 U 0.551E+07 0.000E+00 e 0 0 0 0
64 28.998 0.850 1.267 1 U 0.980E+07 0.000E+00 e 0 0 0 0
65 28.998 3.169 1.597 1 U 0.489E+07 0.000E+00 e 0 0 0 0
66 28.998 3.738 1.598 1 U 0.397E+07 0.000E+00 e 0 0 0 0
67 28.998 3.734 1.240 1 U 0.298E+07 0.000E+00 e 0 0 0 0
68 28.998 3.952 1.584 1 U 0.751E+07 0.000E+00 e 0 0 0 0
69 28.998 8.421 1.254 1 U 0.405E+07 0.000E+00 e 0 0 0 0
70 28.998 8.417 1.608 1 U 0.630E+07 0.000E+00 e 0 0 0 0
71 59.865 8.323 4.170 1 U 0.140E+08 0.000E+00 e 0 0 0 0
72 59.850 7.778 4.165 1 U 0.626E+07 0.000E+00 e 0 0 0 0
73 59.753 2.068 4.167 1 U 0.120E+08 0.000E+00 e 0 0 0 0
74 59.753 2.175 4.167 1 U 0.123E+08 0.000E+00 e 0 0 0 0
75 59.753 2.335 4.170 1 U 0.667E+07 0.000E+00 e 0 0 0 0
76 29.170 4.156 2.182 1 U 0.823E+07 0.000E+00 e 0 0 0 0
77 29.170 4.147 2.072 1 U 0.605E+07 0.000E+00 e 0 0 0 0
78 29.170 8.312 2.180 1 U 0.981E+07 0.000E+00 e 0 0 0 0
79 29.170 8.312 2.082 1 U 0.959E+07 0.000E+00 e 0 0 0 0
80 29.170 7.771 2.186 1 U 0.666E+07 0.000E+00 e 0 0 0 0
81 29.170 7.771 2.090 1 U 0.154E+08 0.000E+00 e 0 0 0 0
82 37.192 4.164 2.360 1 U 0.381E+07 0.000E+00 e 0 0 0 0
83 37.077 4.166 2.312 1 U 0.446E+07 0.000E+00 e 0 0 0 0
84 37.134 8.311 2.372 1 U 0.403E+07 0.000E+00 e 0 0 0 0
85 36.922 8.317 2.310 1 U 0.526E+07 0.000E+00 e 0 0 0 0
86 37.155 8.320 2.318 1 U 0.465E+07 0.000E+00 e 0 0 0 0
87 58.811 7.788 4.096 1 U 0.128E+08 0.000E+00 e 0 0 0 0
88 29.488 7.771 2.180 1 U 0.495E+07 0.000E+00 e 0 0 0 0
89 29.488 7.762 2.093 1 U 0.114E+08 0.000E+00 e 0 0 0 0
90 29.514 4.082 2.193 1 U 0.108E+08 0.000E+00 e 0 0 0 0
91 29.485 4.084 2.108 1 U 0.239E+08 0.000E+00 e 0 0 0 0
92 36.610 2.471 2.470 1 U 0.101E+09 0.000E+00 e 0 0 0 0
93 36.595 2.327 2.472 1 U 0.504E+08 0.000E+00 e 0 0 0 0
94 36.647 2.196 2.469 1 U 0.845E+07 0.000E+00 e 0 0 0 0
95 36.566 2.113 2.470 1 U 0.588E+07 0.000E+00 e 0 0 0 0
96 36.659 4.077 2.472 1 U 0.426E+07 0.000E+00 e 0 0 0 0
97 36.600 4.077 2.324 1 U 0.991E+07 0.000E+00 e 0 0 0 0
98 36.600 8.143 2.468 1 U 0.522E+07 0.000E+00 e 0 0 0 0
99 36.600 8.134 2.318 1 U 0.931E+07 0.000E+00 e 0 0 0 0
100 65.048 1.921 3.642 1 U 0.775E+07 0.000E+00 e 0 0 0 0
101 65.076 1.770 3.642 1 U 0.523E+07 0.000E+00 e 0 0 0 0
102 64.930 1.795 3.637 1 U 0.523E+07 0.000E+00 e 0 0 0 0
103 65.022 8.091 3.639 1 U 0.862E+07 0.000E+00 e 0 0 0 0
104 65.004 1.071 3.633 1 U 0.641E+07 0.000E+00 e 0 0 0 0
105 65.074 0.818 3.641 1 U 0.153E+08 0.000E+00 e 0 0 0 0
106 64.930 0.814 3.640 1 U 0.153E+08 0.000E+00 e 0 0 0 0
107 13.704 1.922 0.826 1 U 0.190E+08 0.000E+00 e 0 0 0 0
108 13.771 1.762 0.823 1 U 0.267E+08 0.000E+00 e 0 0 0 0
109 13.791 1.057 0.822 1 U 0.294E+08 0.000E+00 e 0 0 0 0
110 13.690 0.975 0.828 1 U 0.123E+08 0.000E+00 e 0 0 0 0
111 13.690 3.705 0.830 1 U 0.110E+08 0.000E+00 e 0 0 0 0
112 13.726 8.093 0.824 1 U 0.834E+07 0.000E+00 e 0 0 0 0
113 13.690 3.629 0.822 1 U 0.945E+07 0.000E+00 e 0 0 0 0
114 17.455 1.915 0.809 1 U 0.155E+08 0.000E+00 e 0 0 0 0
115 17.423 1.767 0.807 1 U 0.602E+07 0.000E+00 e 0 0 0 0
116 17.405 3.646 0.808 1 U 0.123E+08 0.000E+00 e 0 0 0 0
117 17.213 4.135 0.818 1 U 0.544E+07 0.000E+00 e 0 0 0 0
118 17.405 4.136 0.818 1 U 0.406E+07 0.000E+00 e 0 0 0 0
119 17.405 8.312 0.812 1 U 0.480E+07 0.000E+00 e 0 0 0 0
120 17.405 1.046 0.810 1 U 0.784E+07 0.000E+00 e 0 0 0 0
121 29.269 1.767 1.076 1 U 0.100E+08 0.000E+00 e 0 0 0 0
122 29.245 1.070 1.072 1 U 0.163E+08 0.000E+00 e 0 0 0 0
123 29.237 0.821 1.071 1 U 0.178E+08 0.000E+00 e 0 0 0 0
124 29.287 0.813 1.762 1 U 0.210E+08 0.000E+00 e 0 0 0 0
125 29.287 1.063 1.772 1 U 0.163E+08 0.000E+00 e 0 0 0 0
126 29.287 3.636 1.764 1 U 0.454E+07 0.000E+00 e 0 0 0 0
127 29.261 3.641 1.081 1 U 0.332E+07 0.000E+00 e 0 0 0 0
128 29.287 1.917 1.080 1 U 0.370E+07 0.000E+00 e 0 0 0 0
129 60.785 1.591 3.708 1 U 0.309E+07 0.000E+00 e 0 0 0 0
130 60.789 0.902 3.710 1 U 0.503E+07 0.000E+00 e 0 0 0 0
131 60.611 2.194 3.705 1 U 0.118E+08 0.000E+00 e 0 0 0 0
132 60.644 1.423 3.708 1 U 0.554E+07 0.000E+00 e 0 0 0 0
133 60.621 0.792 3.703 1 U 0.128E+08 0.000E+00 e 0 0 0 0
134 60.618 2.122 3.700 1 U 0.865E+07 0.000E+00 e 0 0 0 0
135 60.618 0.897 3.705 1 U 0.376E+07 0.000E+00 e 0 0 0 0
136 60.587 8.330 3.704 1 U 0.813E+07 0.000E+00 e 0 0 0 0
137 29.198 0.781 2.087 1 U 0.328E+07 0.000E+00 e 0 0 0 0
138 29.058 0.796 2.209 1 U 0.438E+07 0.000E+00 e 0 0 0 0
139 29.218 3.706 2.203 1 U 0.363E+07 0.000E+00 e 0 0 0 0
140 29.163 3.699 2.096 1 U 0.399E+07 0.000E+00 e 0 0 0 0
141 29.136 8.323 2.199 1 U 0.105E+08 0.000E+00 e 0 0 0 0
142 29.136 8.317 2.101 1 U 0.925E+07 0.000E+00 e 0 0 0 0
143 29.136 7.779 2.199 1 U 0.493E+07 0.000E+00 e 0 0 0 0
144 29.136 7.768 2.069 1 U 0.685E+07 0.000E+00 e 0 0 0 0
145 36.196 3.706 2.204 1 U 0.464E+07 0.000E+00 e 0 0 0 0
146 36.094 3.714 2.153 1 U 0.434E+07 0.000E+00 e 0 0 0 0
147 36.260 3.714 2.149 1 U 0.365E+07 0.000E+00 e 0 0 0 0
148 36.260 8.334 2.219 1 U 0.383E+07 0.000E+00 e 0 0 0 0
149 36.260 0.786 2.200 1 U 0.496E+07 0.000E+00 e 0 0 0 0
150 36.260 0.897 2.204 1 U 0.354E+07 0.000E+00 e 0 0 0 0
151 36.260 0.786 2.136 1 U 0.315E+07 0.000E+00 e 0 0 0 0
152 59.952 1.906 3.911 1 U 0.157E+08 0.000E+00 e 0 0 0 0
153 59.952 1.668 3.907 1 U 0.771E+07 0.000E+00 e 0 0 0 0
154 59.952 1.407 3.901 1 U 0.471E+07 0.000E+00 e 0 0 0 0
155 59.952 8.572 3.905 1 U 0.474E+07 0.000E+00 e 0 0 0 0
156 59.952 7.779 3.914 1 U 0.101E+08 0.000E+00 e 0 0 0 0
157 32.881 7.774 1.910 1 U 0.104E+08 0.000E+00 e 0 0 0 0
158 32.881 7.779 1.879 1 U 0.105E+08 0.000E+00 e 0 0 0 0
159 32.881 1.407 1.918 1 U 0.396E+07 0.000E+00 e 0 0 0 0
160 32.881 1.407 1.882 1 U 0.330E+07 0.000E+00 e 0 0 0 0
161 32.881 3.914 1.905 1 U 0.955E+07 0.000E+00 e 0 0 0 0
162 32.881 3.908 1.873 1 U 0.950E+07 0.000E+00 e 0 0 0 0
163 25.345 3.881 1.671 1 U 0.456E+07 0.000E+00 e 0 0 0 0
164 25.372 3.891 1.422 1 U 0.633E+07 0.000E+00 e 0 0 0 0
165 25.300 1.916 1.422 1 U 0.108E+08 0.000E+00 e 0 0 0 0
166 25.300 1.920 1.668 1 U 0.201E+08 0.000E+00 e 0 0 0 0
167 25.300 7.778 1.659 1 U 0.661E+07 0.000E+00 e 0 0 0 0
168 25.300 7.774 1.431 1 U 0.326E+07 0.000E+00 e 0 0 0 0
169 29.600 2.931 1.701 1 U 0.251E+08 0.000E+00 e 0 0 0 0
170 29.600 2.931 1.666 1 U 0.247E+08 0.000E+00 e 0 0 0 0
171 59.278 8.106 3.994 1 U 0.876E+07 0.000E+00 e 0 0 0 0
172 59.278 7.275 3.992 1 U 0.377E+07 0.000E+00 e 0 0 0 0
173 59.278 1.354 3.995 1 U 0.455E+07 0.000E+00 e 0 0 0 0
174 59.278 1.606 3.992 1 U 0.654E+07 0.000E+00 e 0 0 0 0
175 59.278 1.682 3.991 1 U 0.532E+07 0.000E+00 e 0 0 0 0
176 59.278 1.857 3.989 1 U 0.956E+07 0.000E+00 e 0 0 0 0
177 59.278 1.929 3.994 1 U 0.160E+08 0.000E+00 e 0 0 0 0
178 32.838 8.111 1.930 1 U 0.128E+08 0.000E+00 e 0 0 0 0
179 32.838 8.106 1.854 1 U 0.740E+07 0.000E+00 e 0 0 0 0
180 32.838 3.978 1.831 1 U 0.695E+07 0.000E+00 e 0 0 0 0
181 32.838 3.983 1.933 1 U 0.470E+07 0.000E+00 e 0 0 0 0
182 29.589 3.885 1.703 1 U 0.391E+07 0.000E+00 e 0 0 0 0
183 29.589 1.445 1.708 1 U 0.265E+08 0.000E+00 e 0 0 0 0
184 29.589 1.412 1.675 1 U 0.274E+08 0.000E+00 e 0 0 0 0
185 29.589 1.923 1.701 1 U 0.193E+08 0.000E+00 e 0 0 0 0
186 29.589 1.923 1.668 1 U 0.177E+08 0.000E+00 e 0 0 0 0
187 25.308 3.999 1.598 1 U 0.445E+07 0.000E+00 e 0 0 0 0
188 25.308 3.961 1.347 1 U 0.358E+07 0.000E+00 e 0 0 0 0
189 25.308 1.852 1.594 1 U 0.106E+08 0.000E+00 e 0 0 0 0
190 25.308 1.945 1.594 1 U 0.121E+08 0.000E+00 e 0 0 0 0
191 25.308 1.928 1.342 1 U 0.408E+07 0.000E+00 e 0 0 0 0
192 25.308 1.831 1.346 1 U 0.747E+07 0.000E+00 e 0 0 0 0
193 25.308 1.331 1.599 1 U 0.231E+08 0.000E+00 e 0 0 0 0
194 25.308 1.320 1.335 1 U 0.847E+08 0.000E+00 e 0 0 0 0
195 54.896 8.772 3.958 1 U 0.652E+07 0.000E+00 e 0 0 0 0
196 54.896 8.582 3.955 1 U 0.366E+07 0.000E+00 e 0 0 0 0
197 55.056 3.957 3.955 1 U 0.549E+08 0.000E+00 e 0 0 0 0
198 54.896 3.967 3.957 1 U 0.492E+08 0.000E+00 e 0 0 0 0
199 54.896 1.934 3.955 1 U 0.655E+07 0.000E+00 e 0 0 0 0
200 54.896 1.434 3.953 1 U 0.148E+08 0.000E+00 e 0 0 0 0
201 54.896 0.841 3.960 1 U 0.121E+08 0.000E+00 e 0 0 0 0
202 54.896 0.711 3.951 1 U 0.600E+07 0.000E+00 e 0 0 0 0
203 19.688 0.727 1.422 1 U 0.166E+08 0.000E+00 e 0 0 0 0
204 19.688 0.847 1.420 1 U 0.257E+08 0.000E+00 e 0 0 0 0
205 19.688 1.423 1.425 1 U 0.345E+09 0.000E+00 e 0 0 0 0
206 19.676 3.957 1.421 1 U 0.209E+08 0.000E+00 e 0 0 0 0
207 19.703 3.709 1.420 1 U 0.525E+07 0.000E+00 e 0 0 0 0
208 19.681 8.769 1.421 1 U 0.255E+08 0.000E+00 e 0 0 0 0
209 19.685 8.573 1.423 1 U 0.136E+08 0.000E+00 e 0 0 0 0
210 61.030 8.569 3.803 1 U 0.631E+07 0.000E+00 e 0 0 0 0
211 60.990 0.636 3.806 1 U 0.609E+07 0.000E+00 e 0 0 0 0
212 60.990 1.439 3.810 1 U 0.502E+07 0.000E+00 e 0 0 0 0
213 60.990 1.531 3.807 1 U 0.650E+07 0.000E+00 e 0 0 0 0
214 60.990 1.817 3.802 1 U 0.179E+08 0.000E+00 e 0 0 0 0
215 60.990 1.884 3.804 1 U 0.879E+07 0.000E+00 e 0 0 0 0
216 42.866 1.858 3.185 1 U 0.772E+07 0.000E+00 e 0 0 0 0
217 42.866 1.849 3.129 1 U 0.897E+07 0.000E+00 e 0 0 0 0
218 42.866 1.531 3.135 1 U 0.961E+07 0.000E+00 e 0 0 0 0
219 42.866 1.512 3.188 1 U 0.290E+07 0.000E+00 e 0 0 0 0
220 58.676 7.288 4.100 1 U 0.939E+07 0.000E+00 e 0 0 0 0
221 32.080 7.333 1.923 1 U 0.691E+07 0.000E+00 e 0 0 0 0
222 32.080 7.265 1.926 1 U 0.121E+08 0.000E+00 e 0 0 0 0
223 32.080 4.110 1.933 1 U 0.171E+08 0.000E+00 e 0 0 0 0
224 32.080 3.860 1.951 1 U 0.702E+07 0.000E+00 e 0 0 0 0
225 24.930 4.103 1.515 1 U 0.426E+07 0.000E+00 e 0 0 0 0
226 24.930 4.095 1.595 1 U 0.454E+07 0.000E+00 e 0 0 0 0
227 24.930 1.916 1.517 1 U 0.638E+07 0.000E+00 e 0 0 0 0
228 24.930 1.924 1.590 1 U 0.119E+08 0.000E+00 e 0 0 0 0
229 24.930 1.666 1.507 1 U 0.130E+08 0.000E+00 e 0 0 0 0
230 24.930 1.651 1.590 1 U 0.733E+08 0.000E+00 e 0 0 0 0
231 24.930 1.500 1.590 1 U 0.414E+08 0.000E+00 e 0 0 0 0
232 24.930 1.477 1.515 1 U 0.442E+08 0.000E+00 e 0 0 0 0
233 24.930 7.273 1.507 1 U 0.379E+07 0.000E+00 e 0 0 0 0
234 24.930 7.280 1.600 1 U 0.613E+07 0.000E+00 e 0 0 0 0
235 28.787 2.960 1.699 1 U 0.107E+08 0.000E+00 e 0 0 0 0
236 28.787 1.545 1.704 1 U 0.174E+08 0.000E+00 e 0 0 0 0
237 64.223 0.733 3.738 1 U 0.140E+08 0.000E+00 e 0 0 0 0
238 64.223 1.244 3.738 1 U 0.596E+07 0.000E+00 e 0 0 0 0
239 64.223 1.596 3.741 1 U 0.712E+07 0.000E+00 e 0 0 0 0
240 64.223 1.919 3.736 1 U 0.946E+07 0.000E+00 e 0 0 0 0
241 64.223 7.350 3.739 1 U 0.753E+07 0.000E+00 e 0 0 0 0
242 64.223 2.048 3.739 1 U 0.383E+07 0.000E+00 e 0 0 0 0
243 37.795 0.747 1.928 1 U 0.969E+07 0.000E+00 e 0 0 0 0
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728 58.982 1.690 4.098 1 U 0.102E+08 0.000E+00 e 0 0 0 0
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731 58.450 1.365 4.104 1 U 0.724E+07 0.000E+00 e 0 0 0 0
732 58.440 0.790 4.106 1 U 0.197E+08 0.000E+00 e 0 0 0 0
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734 40.445 1.949 1.947 1 U 0.186E+08 0.000E+00 e 0 0 0 0
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736 40.389 1.363 1.946 1 U 0.147E+08 0.000E+00 e 0 0 0 0
737 40.429 1.949 1.359 1 U 0.199E+08 0.000E+00 e 0 0 0 0
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739 40.390 0.793 1.360 1 U 0.148E+08 0.000E+00 e 0 0 0 0
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749 40.373 7.703 1.375 1 U 0.301E+07 0.000E+00 e 0 0 0 0
750 21.868 0.978 0.781 1 U 0.180E+08 0.000E+00 e 0 0 0 0
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752 21.868 1.950 0.790 1 U 0.144E+08 0.000E+00 e 0 0 0 0
753 21.868 2.030 0.790 1 U 0.117E+08 0.000E+00 e 0 0 0 0
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755 21.735 3.701 0.781 1 U 0.719E+07 0.000E+00 e 0 0 0 0
756 21.868 8.560 0.785 1 U 0.729E+07 0.000E+00 e 0 0 0 0
757 26.196 8.577 0.794 1 U 0.102E+08 0.000E+00 e 0 0 0 0
758 26.380 3.890 0.806 1 U 0.668E+07 0.000E+00 e 0 0 0 0
759 26.191 2.183 0.796 1 U 0.904E+07 0.000E+00 e 0 0 0 0
760 26.209 2.007 0.796 1 U 0.221E+08 0.000E+00 e 0 0 0 0
761 26.154 1.589 0.792 1 U 0.832E+07 0.000E+00 e 0 0 0 0
762 26.239 1.356 0.794 1 U 0.712E+07 0.000E+00 e 0 0 0 0
763 26.013 3.871 0.788 1 U 0.554E+07 0.000E+00 e 0 0 0 0
764 40.413 0.787 1.938 1 U 0.102E+08 0.000E+00 e 0 0 0 0
765 59.170 7.727 4.063 1 U 0.914E+07 0.000E+00 e 0 0 0 0
766 29.071 4.076 2.170 1 U 0.128E+08 0.000E+00 e 0 0 0 0
767 29.071 4.071 2.094 1 U 0.153E+08 0.000E+00 e 0 0 0 0
768 29.071 7.723 2.158 1 U 0.839E+07 0.000E+00 e 0 0 0 0
769 29.071 7.723 2.106 1 U 0.805E+07 0.000E+00 e 0 0 0 0
770 29.071 7.926 2.163 1 U 0.352E+07 0.000E+00 e 0 0 0 0
771 29.071 7.918 2.107 1 U 0.401E+07 0.000E+00 e 0 0 0 0
772 29.071 2.326 2.097 1 U 0.350E+08 0.000E+00 e 0 0 0 0
773 29.071 2.330 2.182 1 U 0.338E+08 0.000E+00 e 0 0 0 0
774 29.071 2.178 2.087 1 U 0.747E+08 0.000E+00 e 0 0 0 0
775 29.071 2.195 2.184 1 U 0.781E+08 0.000E+00 e 0 0 0 0
776 62.144 4.186 4.183 1 U 0.637E+08 0.000E+00 e 0 0 0 0
777 62.192 3.602 4.180 1 U 0.607E+07 0.000E+00 e 0 0 0 0
778 62.118 3.253 4.180 1 U 0.976E+07 0.000E+00 e 0 0 0 0
779 62.165 1.573 4.185 1 U 0.281E+07 0.000E+00 e 0 0 0 0
780 62.165 7.930 4.182 1 U 0.604E+07 0.000E+00 e 0 0 0 0
781 28.982 4.179 3.602 1 U 0.402E+07 0.000E+00 e 0 0 0 0
782 28.969 4.111 3.589 1 U 0.428E+07 0.000E+00 e 0 0 0 0
783 28.915 3.590 3.593 1 U 0.102E+08 0.000E+00 e 0 0 0 0
784 28.937 3.257 3.590 1 U 0.109E+08 0.000E+00 e 0 0 0 0
785 28.970 4.122 3.256 1 U 0.473E+07 0.000E+00 e 0 0 0 0
786 28.917 3.592 3.253 1 U 0.121E+08 0.000E+00 e 0 0 0 0
787 28.927 3.255 3.256 1 U 0.163E+08 0.000E+00 e 0 0 0 0
788 28.833 4.184 3.256 1 U 0.607E+07 0.000E+00 e 0 0 0 0
789 29.010 7.920 3.592 1 U 0.534E+07 0.000E+00 e 0 0 0 0
790 28.932 7.922 3.253 1 U 0.705E+07 0.000E+00 e 0 0 0 0
791 28.965 9.012 3.590 1 U 0.321E+07 0.000E+00 e 0 0 0 0
792 28.875 9.008 3.238 1 U 0.314E+07 0.000E+00 e 0 0 0 0
793 28.920 0.495 3.617 1 U 0.311E+07 0.000E+00 e 0 0 0 0
794 28.935 0.491 3.259 1 U 0.349E+07 0.000E+00 e 0 0 0 0
795 57.951 7.369 3.857 1 U 0.395E+07 0.000E+00 e 0 0 0 0
796 57.541 7.504 3.864 1 U 0.254E+07 0.000E+00 e 0 0 0 0
797 57.908 2.110 3.864 1 U 0.667E+07 0.000E+00 e 0 0 0 0
798 57.908 1.464 3.861 1 U 0.683E+07 0.000E+00 e 0 0 0 0
799 57.908 1.003 3.855 1 U 0.167E+08 0.000E+00 e 0 0 0 0
800 57.908 9.038 3.862 1 U 0.562E+07 0.000E+00 e 0 0 0 0
801 42.506 9.033 1.450 1 U 0.441E+07 0.000E+00 e 0 0 0 0
802 42.506 9.021 2.103 1 U 0.526E+07 0.000E+00 e 0 0 0 0
803 42.521 4.091 2.106 1 U 0.296E+07 0.000E+00 e 0 0 0 0
804 42.484 3.862 2.094 1 U 0.483E+07 0.000E+00 e 0 0 0 0
805 42.506 3.860 1.460 1 U 0.458E+07 0.000E+00 e 0 0 0 0
806 42.506 2.106 1.460 1 U 0.161E+08 0.000E+00 e 0 0 0 0
807 42.506 2.110 2.100 1 U 0.193E+08 0.000E+00 e 0 0 0 0
808 42.506 0.868 2.101 1 U 0.457E+07 0.000E+00 e 0 0 0 0
809 42.506 0.965 2.092 1 U 0.609E+07 0.000E+00 e 0 0 0 0
810 42.506 1.455 2.097 1 U 0.165E+08 0.000E+00 e 0 0 0 0
811 42.506 0.868 1.473 1 U 0.424E+07 0.000E+00 e 0 0 0 0
812 42.506 0.990 1.466 1 U 0.583E+07 0.000E+00 e 0 0 0 0
813 42.506 1.447 1.458 1 U 0.222E+08 0.000E+00 e 0 0 0 0
814 23.206 0.851 1.005 1 U 0.113E+08 0.000E+00 e 0 0 0 0
815 23.171 2.143 1.001 1 U 0.170E+08 0.000E+00 e 0 0 0 0
816 23.167 1.476 1.004 1 U 0.180E+08 0.000E+00 e 0 0 0 0
817 23.206 3.860 1.004 1 U 0.190E+08 0.000E+00 e 0 0 0 0
818 23.179 7.352 1.001 1 U 0.587E+07 0.000E+00 e 0 0 0 0
819 23.206 9.012 1.008 1 U 0.658E+07 0.000E+00 e 0 0 0 0
820 26.454 3.712 0.905 1 U 0.581E+07 0.000E+00 e 0 0 0 0
821 26.454 3.843 0.907 1 U 0.810E+07 0.000E+00 e 0 0 0 0
822 26.454 3.995 0.904 1 U 0.528E+07 0.000E+00 e 0 0 0 0
823 27.034 1.461 2.147 1 U 0.393E+07 0.000E+00 e 0 0 0 0
824 27.059 1.005 2.161 1 U 0.734E+07 0.000E+00 e 0 0 0 0
825 26.894 0.931 2.160 1 U 0.631E+07 0.000E+00 e 0 0 0 0
826 27.103 9.029 2.162 1 U 0.371E+07 0.000E+00 e 0 0 0 0
827 59.097 0.851 3.955 1 U 0.744E+07 0.000E+00 e 0 0 0 0
828 59.097 1.603 3.957 1 U 0.865E+07 0.000E+00 e 0 0 0 0
829 59.097 1.886 3.953 1 U 0.183E+08 0.000E+00 e 0 0 0 0
830 59.097 8.082 3.955 1 U 0.108E+08 0.000E+00 e 0 0 0 0
831 30.379 3.940 1.876 1 U 0.713E+07 0.000E+00 e 0 0 0 0
832 30.379 3.154 1.860 1 U 0.645E+07 0.000E+00 e 0 0 0 0
833 30.379 4.067 1.873 1 U 0.440E+07 0.000E+00 e 0 0 0 0
834 30.379 8.091 1.896 1 U 0.526E+07 0.000E+00 e 0 0 0 0
835 30.379 8.074 1.858 1 U 0.694E+07 0.000E+00 e 0 0 0 0
836 30.379 7.487 1.869 1 U 0.325E+07 0.000E+00 e 0 0 0 0
837 30.379 3.936 1.896 1 U 0.666E+07 0.000E+00 e 0 0 0 0
838 30.379 3.158 1.889 1 U 0.577E+07 0.000E+00 e 0 0 0 0
839 57.362 1.556 4.087 1 U 0.706E+07 0.000E+00 e 0 0 0 0
840 57.281 1.460 4.088 1 U 0.130E+08 0.000E+00 e 0 0 0 0
841 57.362 1.352 4.089 1 U 0.678E+07 0.000E+00 e 0 0 0 0
842 57.296 3.010 4.082 1 U 0.361E+07 0.000E+00 e 0 0 0 0
843 57.234 7.485 4.090 1 U 0.750E+07 0.000E+00 e 0 0 0 0
844 30.679 1.560 1.563 1 U 0.281E+08 0.000E+00 e 0 0 0 0
845 30.659 1.561 1.463 1 U 0.258E+08 0.000E+00 e 0 0 0 0
846 30.677 1.465 1.561 1 U 0.336E+08 0.000E+00 e 0 0 0 0
847 30.661 1.464 1.462 1 U 0.441E+08 0.000E+00 e 0 0 0 0
848 30.710 1.349 1.562 1 U 0.113E+08 0.000E+00 e 0 0 0 0
849 30.653 1.350 1.464 1 U 0.126E+08 0.000E+00 e 0 0 0 0
850 30.662 3.021 1.562 1 U 0.360E+07 0.000E+00 e 0 0 0 0
851 30.666 3.015 1.462 1 U 0.505E+07 0.000E+00 e 0 0 0 0
852 30.637 4.095 1.561 1 U 0.636E+07 0.000E+00 e 0 0 0 0
853 30.592 4.095 1.462 1 U 0.643E+07 0.000E+00 e 0 0 0 0
854 30.656 7.486 1.567 1 U 0.514E+07 0.000E+00 e 0 0 0 0
855 30.691 7.483 1.465 1 U 0.634E+07 0.000E+00 e 0 0 0 0
856 27.140 1.552 1.347 1 U 0.934E+07 0.000E+00 e 0 0 0 0
857 27.137 1.469 1.469 1 U 0.613E+08 0.000E+00 e 0 0 0 0
858 27.125 1.467 1.346 1 U 0.316E+08 0.000E+00 e 0 0 0 0
859 27.160 1.345 1.467 1 U 0.290E+08 0.000E+00 e 0 0 0 0
860 27.138 1.343 1.344 1 U 0.426E+08 0.000E+00 e 0 0 0 0
861 27.142 1.552 1.466 1 U 0.114E+08 0.000E+00 e 0 0 0 0
862 27.130 3.015 1.467 1 U 0.891E+07 0.000E+00 e 0 0 0 0
863 27.130 3.017 1.343 1 U 0.811E+07 0.000E+00 e 0 0 0 0
864 27.265 4.089 1.473 1 U 0.437E+07 0.000E+00 e 0 0 0 0
865 27.095 4.091 1.344 1 U 0.476E+07 0.000E+00 e 0 0 0 0
866 27.142 7.470 1.465 1 U 0.519E+07 0.000E+00 e 0 0 0 0
867 27.142 7.491 1.350 1 U 0.376E+07 0.000E+00 e 0 0 0 0
868 27.142 8.518 1.355 1 U 0.259E+07 0.000E+00 e 0 0 0 0
869 43.268 1.556 3.015 1 U 0.818E+07 0.000E+00 e 0 0 0 0
870 43.282 1.468 3.014 1 U 0.215E+08 0.000E+00 e 0 0 0 0
871 43.281 1.343 3.015 1 U 0.125E+08 0.000E+00 e 0 0 0 0
872 43.338 4.196 3.019 1 U 0.339E+07 0.000E+00 e 0 0 0 0
873 43.301 4.101 3.017 1 U 0.475E+07 0.000E+00 e 0 0 0 0
874 43.301 7.495 3.017 1 U 0.331E+07 0.000E+00 e 0 0 0 0
875 56.586 7.833 4.392 1 U 0.442E+07 0.000E+00 e 0 0 0 0
876 56.586 2.812 4.401 1 U 0.720E+07 0.000E+00 e 0 0 0 0
877 56.586 1.962 4.426 1 U 0.614E+07 0.000E+00 e 0 0 0 0
878 29.704 1.967 2.814 1 U 0.159E+08 0.000E+00 e 0 0 0 0
879 29.704 2.799 2.817 1 U 0.231E+08 0.000E+00 e 0 0 0 0
880 29.704 4.416 2.806 1 U 0.463E+07 0.000E+00 e 0 0 0 0
881 29.704 2.799 1.970 1 U 0.131E+08 0.000E+00 e 0 0 0 0
882 29.704 4.401 1.965 1 U 0.191E+07 0.000E+00 e 0 0 0 0
883 46.434 7.801 3.818 1 U 0.994E+07 0.000E+00 e 0 0 0 0
884 46.469 7.800 3.658 1 U 0.109E+08 0.000E+00 e 0 0 0 0
885 46.406 3.814 3.816 1 U 0.907E+08 0.000E+00 e 0 0 0 0
886 46.404 3.816 3.658 1 U 0.663E+08 0.000E+00 e 0 0 0 0
887 46.413 3.662 3.816 1 U 0.626E+08 0.000E+00 e 0 0 0 0
888 46.401 3.659 3.661 1 U 0.831E+08 0.000E+00 e 0 0 0 0
889 59.505 2.110 4.096 1 U 0.237E+08 0.000E+00 e 0 0 0 0
890 59.505 2.193 4.094 1 U 0.123E+08 0.000E+00 e 0 0 0 0
891 59.505 2.327 4.091 1 U 0.124E+08 0.000E+00 e 0 0 0 0
892 59.505 8.153 4.076 1 U 0.163E+08 0.000E+00 e 0 0 0 0
893 28.583 8.160 2.102 1 U 0.824E+07 0.000E+00 e 0 0 0 0
894 28.583 8.160 2.174 1 U 0.833E+07 0.000E+00 e 0 0 0 0
895 28.583 8.804 2.162 1 U 0.449E+07 0.000E+00 e 0 0 0 0
896 28.583 8.804 2.114 1 U 0.509E+07 0.000E+00 e 0 0 0 0
897 28.583 4.087 2.099 1 U 0.576E+07 0.000E+00 e 0 0 0 0
898 28.583 4.079 2.164 1 U 0.574E+07 0.000E+00 e 0 0 0 0
899 28.583 2.118 2.174 1 U 0.384E+08 0.000E+00 e 0 0 0 0
900 28.583 2.110 2.099 1 U 0.458E+08 0.000E+00 e 0 0 0 0
901 28.583 2.290 2.102 1 U 0.188E+08 0.000E+00 e 0 0 0 0
902 28.583 2.305 2.174 1 U 0.177E+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' 14.0225 ppm . . . 2818 . . 31033 1
2 . . C 13 C-aliphatic . 'not observed' 72.0 ppm . . . 6037.621 . . 31033 1
3 . . H 1 H . 'not observed' 14.02 ppm . . . 2818 . . 31033 1
stop_
save_