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 34459
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 15
_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 proton1
#INAME 2 hetero1
#INAME 3 proton2
1 -0.224 12.296 0.940 5 U 1269.85 0.00E+00 m 0 0 0 0 0
2 -0.225 12.325 1.074 5 U 1751.83 0.00E+00 m 0 0 0 0 0
3 -0.224 12.339 3.521 5 U 694.12 0.00E+00 m 0 0 0 0 0
4 -0.224 12.342 -0.025 5 U 3720.59 0.00E+00 m 0 0 0 0 0
5 -0.224 12.355 0.650 5 U 675.36 0.00E+00 m 0 0 0 0 0
6 0.784 12.817 8.489 5 U 429.42 0.00E+00 m 0 0 0 0 0
7 0.790 12.858 1.065 5 U 5076.86 0.00E+00 m 0 0 0 0 0
8 0.785 12.866 1.723 5 U 1811.88 0.00E+00 m 0 0 0 0 0
9 0.786 12.877 4.257 5 U 518.60 0.00E+00 m 0 0 0 0 0
10 0.796 12.905 1.402 5 U 4675.06 0.00E+00 m 0 0 0 0 0
11 0.923 13.136 2.064 5 U 2360.03 0.00E+00 m 0 0 0 0 0
12 0.922 13.139 3.928 5 U 768.42 0.00E+00 m 0 0 0 0 0
13 -1.244 13.935 6.178 5 U 482.76 0.00E+00 m 0 0 0 0 0
14 0.974 14.472 1.844 5 U 3516.08 0.00E+00 m 0 0 0 0 0
15 0.974 14.475 6.665 5 U 1471.60 0.00E+00 m 0 0 0 0 0
16 0.973 14.485 4.061 5 U 2681.57 0.00E+00 m 0 0 0 0 0
17 0.973 14.489 0.766 5 U 6193.67 0.00E+00 m 0 0 0 0 0
18 0.974 14.495 2.970 5 U 2480.60 0.00E+00 m 0 0 0 0 0
19 0.974 14.496 1.693 5 U 2081.35 0.00E+00 m 0 0 0 0 0
20 0.973 14.504 7.320 5 U 1304.60 0.00E+00 m 0 0 0 0 0
21 0.151 14.586 1.148 5 U 3722.96 0.00E+00 m 0 0 0 0 0
22 0.151 14.593 0.395 5 U 836.46 0.00E+00 m 0 0 0 0 0
23 0.151 14.605 2.694 5 U 2171.02 0.00E+00 m 0 0 0 0 0
24 0.151 14.607 -0.505 5 U 2076.65 0.00E+00 m 0 0 0 0 0
25 0.151 14.633 0.972 5 U 1364.21 0.00E+00 m 0 0 0 0 0
26 1.392 15.106 6.147 5 U 1615.77 0.00E+00 m 0 0 0 0 0
27 1.392 15.109 2.462 5 U 709.66 0.00E+00 m 0 0 0 0 0
28 1.391 15.110 1.025 5 U 2423.36 0.00E+00 m 0 0 0 0 0
29 1.392 15.121 2.216 5 U 1503.84 0.00E+00 m 0 0 0 0 0
30 1.392 15.123 4.910 5 U 666.44 0.00E+00 m 0 0 0 0 0
31 1.392 15.126 4.171 5 U 1123.93 0.00E+00 m 0 0 0 0 0
32 1.392 15.128 6.802 5 U 1217.12 0.00E+00 m 0 0 0 0 0
33 1.392 15.133 7.249 5 U 2218.72 0.00E+00 m 0 0 0 0 0
34 1.873 16.361 2.100 5 U 2617.43 0.00E+00 m 0 0 0 0 0
35 1.873 16.456 7.246 5 U 1047.38 0.00E+00 m 0 0 0 0 0
36 1.874 16.457 2.360 5 U 1477.01 0.00E+00 m 0 0 0 0 0
37 1.874 16.466 3.921 5 U 709.56 0.00E+00 m 0 0 0 0 0
38 1.873 16.467 -0.226 5 U 1931.12 0.00E+00 m 0 0 0 0 0
39 1.873 16.471 1.077 5 U 2495.66 0.00E+00 m 0 0 0 0 0
40 0.654 16.479 1.464 5 U 1543.56 0.00E+00 m 0 0 0 0 0
41 1.874 16.487 4.347 5 U 1600.88 0.00E+00 m 0 0 0 0 0
42 0.654 16.488 3.159 5 U 610.09 0.00E+00 m 0 0 0 0 0
43 0.654 16.489 4.329 5 U 700.03 0.00E+00 m 0 0 0 0 0
44 0.654 16.510 7.093 5 U 1562.64 0.00E+00 m 0 0 0 0 0
45 0.654 16.511 6.789 5 U 1482.11 0.00E+00 m 0 0 0 0 0
46 0.654 16.511 2.675 5 U 1247.68 0.00E+00 m 0 0 0 0 0
47 0.654 16.512 0.154 5 U 2704.54 0.00E+00 m 0 0 0 0 0
48 0.654 16.514 0.961 5 U 2632.22 0.00E+00 m 0 0 0 0 0
49 0.654 16.520 1.142 5 U 2352.88 0.00E+00 m 0 0 0 0 0
50 0.653 16.531 7.021 5 U 831.84 0.00E+00 m 0 0 0 0 0
51 0.803 17.402 1.064 5 U 3002.17 0.00E+00 m 0 0 0 0 0
52 0.862 17.407 1.396 5 U 643.20 0.00E+00 m 0 0 0 0 0
53 0.804 17.437 1.419 5 U 1780.11 0.00E+00 m 0 0 0 0 0
54 0.863 17.457 1.815 5 U 1280.88 0.00E+00 m 0 0 0 0 0
55 0.862 17.511 4.132 5 U 976.04 0.00E+00 m 0 0 0 0 0
56 0.519 17.599 0.842 5 U 1363.33 0.00E+00 m 0 0 0 0 0
57 0.998 17.821 8.073 5 U 826.31 0.00E+00 m 0 0 0 0 0
58 0.997 17.823 3.924 5 U 1997.60 0.00E+00 m 0 0 0 0 0
59 0.998 17.847 4.181 5 U 1841.57 0.00E+00 m 0 0 0 0 0
60 0.997 17.870 1.371 5 U 2015.44 0.00E+00 m 0 0 0 0 0
61 0.998 17.873 1.902 5 U 1198.45 0.00E+00 m 0 0 0 0 0
62 1.596 17.887 2.267 5 U 1417.05 0.00E+00 m 0 0 0 0 0
63 1.596 17.890 2.737 5 U 998.89 0.00E+00 m 0 0 0 0 0
64 1.596 17.892 7.320 5 U 1985.62 0.00E+00 m 0 0 0 0 0
65 1.595 17.899 7.028 5 U 1214.71 0.00E+00 m 0 0 0 0 0
66 0.521 17.943 3.175 5 U 1023.34 0.00E+00 m 0 0 0 0 0
67 0.521 17.947 7.095 5 U 1525.75 0.00E+00 m 0 0 0 0 0
68 0.521 17.971 7.345 5 U 957.34 0.00E+00 m 0 0 0 0 0
69 0.521 17.986 -0.223 5 U 2903.77 0.00E+00 m 0 0 0 0 0
70 0.521 18.030 0.646 5 U 8655.79 0.00E+00 m 0 0 0 0 0
71 0.520 18.056 7.005 5 U 2577.00 0.00E+00 m 0 0 0 0 0
72 0.521 18.073 3.404 5 U 591.29 0.00E+00 m 0 0 0 0 0
73 0.521 18.076 -0.021 5 U 1220.35 0.00E+00 m 0 0 0 0 0
74 2.256 18.288 1.364 5 U 1192.49 0.00E+00 m 0 0 0 0 0
75 2.256 18.302 8.082 5 U 888.03 0.00E+00 m 0 0 0 0 0
76 2.256 18.314 0.931 5 U 2277.65 0.00E+00 m 0 0 0 0 0
77 2.256 18.326 7.152 5 U 980.68 0.00E+00 m 0 0 0 0 0
78 2.256 18.326 3.076 5 U 1318.42 0.00E+00 m 0 0 0 0 0
79 2.256 18.329 1.569 5 U 1687.22 0.00E+00 m 0 0 0 0 0
80 2.256 18.333 4.268 5 U 1827.37 0.00E+00 m 0 0 0 0 0
81 2.256 18.337 1.800 5 U 3814.51 0.00E+00 m 0 0 0 0 0
82 2.256 18.341 1.905 5 U 3692.04 0.00E+00 m 0 0 0 0 0
83 2.256 18.342 3.408 5 U 2434.01 0.00E+00 m 0 0 0 0 0
84 2.256 18.349 6.895 5 U 2674.66 0.00E+00 m 0 0 0 0 0
85 1.504 19.035 7.130 5 U 5473.90 0.00E+00 m 0 0 0 0 0
86 1.504 19.036 4.419 5 U 9729.19 0.00E+00 m 0 0 0 0 0
87 1.502 19.106 4.070 5 U 1602.19 0.00E+00 m 0 0 0 0 0
88 1.944 20.026 7.330 5 U 6656.47 0.00E+00 m 0 0 0 0 0
89 1.336 21.668 9.226 5 U 2351.87 0.00E+00 m 0 0 0 0 0
90 0.679 21.806 7.251 5 U 1574.30 0.00E+00 m 0 0 0 0 0
91 0.679 21.815 4.897 5 U 4030.84 0.00E+00 m 0 0 0 0 0
92 0.679 21.815 0.930 5 U 7249.12 0.00E+00 m 0 0 0 0 0
93 0.679 21.816 6.160 5 U 489.14 0.00E+00 m 0 0 0 0 0
94 0.679 21.819 7.311 5 U 1942.26 0.00E+00 m 0 0 0 0 0
95 0.679 21.821 1.556 5 U 2717.80 0.00E+00 m 0 0 0 0 0
96 0.679 21.826 2.422 5 U 1250.31 0.00E+00 m 0 0 0 0 0
97 0.679 21.826 1.772 5 U 5758.30 0.00E+00 m 0 0 0 0 0
98 0.679 21.830 8.491 5 U 865.30 0.00E+00 m 0 0 0 0 0
99 0.679 21.833 1.986 5 U 1669.08 0.00E+00 m 0 0 0 0 0
100 0.680 21.845 1.067 5 U 752.65 0.00E+00 m 0 0 0 0 0
101 0.679 21.868 9.246 5 U 949.17 0.00E+00 m 0 0 0 0 0
102 0.936 23.297 7.330 5 U 2747.90 0.00E+00 m 0 0 0 0 0
103 0.936 23.308 7.080 5 U 1305.27 0.00E+00 m 0 0 0 0 0
104 0.935 23.309 2.132 5 U 1767.96 0.00E+00 m 0 0 0 0 0
105 0.741 23.360 8.904 5 U 604.61 0.00E+00 m 0 0 0 0 0
106 0.742 23.378 2.276 5 U 1756.78 0.00E+00 m 0 0 0 0 0
107 0.741 23.379 8.800 5 U 919.73 0.00E+00 m 0 0 0 0 0
108 0.742 23.387 1.181 5 U 1789.49 0.00E+00 m 0 0 0 0 0
109 0.741 23.392 3.731 5 U 438.75 0.00E+00 m 0 0 0 0 0
110 0.741 23.396 3.158 5 U 5623.40 0.00E+00 m 0 0 0 0 0
111 0.741 23.399 6.220 5 U 986.00 0.00E+00 m 0 0 0 0 0
112 0.741 23.401 2.991 5 U 1308.72 0.00E+00 m 0 0 0 0 0
113 0.741 23.428 2.100 5 U 3284.19 0.00E+00 m 0 0 0 0 0
114 0.742 23.448 4.272 5 U 1250.51 0.00E+00 m 0 0 0 0 0
115 0.374 23.772 7.320 5 U 2898.76 0.00E+00 m 0 0 0 0 0
116 0.375 23.778 6.911 5 U 698.18 0.00E+00 m 0 0 0 0 0
117 0.374 23.790 1.946 5 U 3954.17 0.00E+00 m 0 0 0 0 0
118 0.374 23.791 7.473 5 U 1717.29 0.00E+00 m 0 0 0 0 0
119 0.375 23.813 -0.506 5 U 3845.33 0.00E+00 m 0 0 0 0 0
120 0.374 23.825 -0.006 5 U 2555.06 0.00E+00 m 0 0 0 0 0
121 0.374 23.843 1.415 5 U 581.68 0.00E+00 m 0 0 0 0 0
122 0.745 23.898 1.772 5 U 8835.69 0.00E+00 m 0 0 0 0 0
123 1.264 24.010 0.887 5 U 5226.42 0.00E+00 m 0 0 0 0 0
124 0.833 24.118 4.515 5 U 608.83 0.00E+00 m 0 0 0 0 0
125 1.264 24.174 2.961 5 U 1073.12 0.00E+00 m 0 0 0 0 0
126 0.833 24.176 1.392 5 U 4817.22 0.00E+00 m 0 0 0 0 0
127 1.264 24.246 1.616 5 U 8760.38 0.00E+00 m 0 0 0 0 0
128 0.751 24.272 1.391 5 U 3887.76 0.00E+00 m 0 0 0 0 0
129 0.798 24.777 1.118 5 U 5565.66 0.00E+00 m 0 0 0 0 0
130 1.546 25.240 7.377 5 U 396.22 0.00E+00 m 0 0 0 0 0
131 1.617 25.253 4.238 5 U 1148.69 0.00E+00 m 0 0 0 0 0
132 1.545 25.266 4.241 5 U 1298.80 0.00E+00 m 0 0 0 0 0
133 1.545 25.275 1.913 5 U 2884.48 0.00E+00 m 0 0 0 0 0
134 1.613 25.326 7.373 5 U 581.43 0.00E+00 m 0 0 0 0 0
135 1.494 25.475 1.801 5 U 4570.58 0.00E+00 m 0 0 0 0 0
136 1.496 25.488 4.185 5 U 1023.83 0.00E+00 m 0 0 0 0 0
137 1.601 25.575 7.169 5 U 554.15 0.00E+00 m 0 0 0 0 0
138 -0.507 26.241 -0.005 5 U 3346.15 0.00E+00 m 0 0 0 0 0
139 0.932 26.284 0.684 5 U 4689.65 0.00E+00 m 0 0 0 0 0
140 0.931 26.331 8.484 5 U 615.80 0.00E+00 m 0 0 0 0 0
141 0.931 26.331 7.026 5 U 812.13 0.00E+00 m 0 0 0 0 0
142 0.932 26.353 1.789 5 U 6236.05 0.00E+00 m 0 0 0 0 0
143 3.217 26.424 3.078 5 U 11696.91 0.00E+00 m 0 0 0 0 0
144 2.134 26.516 3.937 5 U 1064.25 0.00E+00 m 0 0 0 0 0
145 2.132 26.523 0.940 5 U 2361.99 0.00E+00 m 0 0 0 0 0
146 2.132 26.575 1.793 5 U 962.07 0.00E+00 m 0 0 0 0 0
147 1.777 26.581 0.729 5 U 3731.19 0.00E+00 m 0 0 0 0 0
148 1.075 26.588 1.393 5 U 23851.88 0.00E+00 m 0 0 0 0 0
149 1.393 26.640 1.081 5 U 23111.25 0.00E+00 m 0 0 0 0 0
150 1.411 26.716 4.259 5 U 655.15 0.00E+00 m 0 0 0 0 0
151 1.072 26.738 0.810 5 U 12187.94 0.00E+00 m 0 0 0 0 0
152 1.394 26.769 1.770 5 U 7307.08 0.00E+00 m 0 0 0 0 0
153 1.068 26.772 4.271 5 U 1348.97 0.00E+00 m 0 0 0 0 0
154 1.405 26.805 0.797 5 U 14025.82 0.00E+00 m 0 0 0 0 0
155 1.064 26.980 2.131 5 U 3157.27 0.00E+00 m 0 0 0 0 0
156 1.629 27.081 1.179 5 U 5979.99 0.00E+00 m 0 0 0 0 0
157 1.064 27.217 7.242 5 U 3482.43 0.00E+00 m 0 0 0 0 0
158 1.064 27.231 3.938 5 U 1830.64 0.00E+00 m 0 0 0 0 0
159 1.065 27.280 7.026 5 U 887.78 0.00E+00 m 0 0 0 0 0
160 1.930 27.408 1.732 5 U 9349.77 0.00E+00 m 0 0 0 0 0
161 0.865 27.464 4.046 5 U 906.18 0.00E+00 m 0 0 0 0 0
162 0.844 27.521 -0.218 5 U 2291.00 0.00E+00 m 0 0 0 0 0
163 0.844 27.524 -0.025 5 U 4135.45 0.00E+00 m 0 0 0 0 0
164 1.643 27.813 3.945 5 U 1664.99 0.00E+00 m 0 0 0 0 0
165 1.815 27.869 2.044 5 U 13124.25 0.00E+00 m 0 0 0 0 0
166 1.648 28.056 0.889 5 U 693.01 0.00E+00 m 0 0 0 0 0
167 1.649 28.254 2.964 5 U 3086.28 0.00E+00 m 0 0 0 0 0
168 1.162 28.257 0.969 5 U 1772.29 0.00E+00 m 0 0 0 0 0
169 1.713 28.276 3.947 5 U 1478.06 0.00E+00 m 0 0 0 0 0
170 1.709 28.495 2.958 5 U 6359.62 0.00E+00 m 0 0 0 0 0
171 1.163 28.501 4.326 5 U 944.60 0.00E+00 m 0 0 0 0 0
172 1.115 28.512 4.329 5 U 737.03 0.00E+00 m 0 0 0 0 0
173 1.115 28.552 0.655 5 U 866.32 0.00E+00 m 0 0 0 0 0
174 1.114 28.562 8.540 5 U 678.36 0.00E+00 m 0 0 0 0 0
175 1.114 28.597 0.153 5 U 2328.71 0.00E+00 m 0 0 0 0 0
176 1.707 28.603 7.386 5 U 927.26 0.00E+00 m 0 0 0 0 0
177 1.707 28.697 1.917 5 U 3183.62 0.00E+00 m 0 0 0 0 0
178 1.897 28.916 4.522 5 U 1615.81 0.00E+00 m 0 0 0 0 0
179 1.989 28.993 4.523 5 U 1575.31 0.00E+00 m 0 0 0 0 0
180 1.706 29.061 4.242 5 U 1791.20 0.00E+00 m 0 0 0 0 0
181 2.099 29.129 7.831 5 U 5652.04 0.00E+00 m 0 0 0 0 0
182 1.899 29.136 0.930 5 U 3213.27 0.00E+00 m 0 0 0 0 0
183 1.367 29.224 0.934 5 U 4193.26 0.00E+00 m 0 0 0 0 0
184 1.370 29.300 1.902 5 U 8443.18 0.00E+00 m 0 0 0 0 0
185 1.369 29.301 3.920 5 U 857.18 0.00E+00 m 0 0 0 0 0
186 2.105 29.307 4.125 5 U 6669.47 0.00E+00 m 0 0 0 0 0
187 1.592 29.571 4.185 5 U 1009.98 0.00E+00 m 0 0 0 0 0
188 1.397 29.606 2.277 5 U 1521.21 0.00E+00 m 0 0 0 0 0
189 1.405 29.694 2.599 5 U 895.23 0.00E+00 m 0 0 0 0 0
190 1.973 29.700 2.255 5 U 17170.04 0.00E+00 m 0 0 0 0 0
191 1.985 29.753 7.745 5 U 1876.60 0.00E+00 m 0 0 0 0 0
192 1.968 29.770 8.146 5 U 1652.61 0.00E+00 m 0 0 0 0 0
193 1.765 29.782 1.025 5 U 5394.79 0.00E+00 m 0 0 0 0 0
194 2.168 29.795 7.249 5 U 3962.41 0.00E+00 m 0 0 0 0 0
195 1.024 29.806 4.171 5 U 1094.39 0.00E+00 m 0 0 0 0 0
196 2.164 29.826 4.027 5 U 10055.59 0.00E+00 m 0 0 0 0 0
197 2.164 29.833 8.268 5 U 923.24 0.00E+00 m 0 0 0 0 0
198 2.076 30.114 4.233 5 U 7365.90 0.00E+00 m 0 0 0 0 0
199 1.708 30.756 2.439 5 U 3361.46 0.00E+00 m 0 0 0 0 0
200 2.158 30.775 1.707 5 U 31097.84 0.00E+00 m 0 0 0 0 0
201 2.090 30.883 3.920 5 U 2268.07 0.00E+00 m 0 0 0 0 0
202 2.070 31.087 8.533 5 U 2330.37 0.00E+00 m 0 0 0 0 0
203 1.721 31.132 0.884 5 U 1242.03 0.00E+00 m 0 0 0 0 0
204 1.724 31.179 1.264 5 U 1639.20 0.00E+00 m 0 0 0 0 0
205 2.216 31.182 2.465 5 U 17845.82 0.00E+00 m 0 0 0 0 0
206 2.089 31.183 2.362 5 U 31039.71 0.00E+00 m 0 0 0 0 0
207 1.627 31.330 6.495 5 U 660.62 0.00E+00 m 0 0 0 0 0
208 2.447 31.588 1.782 5 U 4939.47 0.00E+00 m 0 0 0 0 0
209 3.101 31.600 8.119 5 U 777.90 0.00E+00 m 0 0 0 0 0
210 2.443 31.672 1.565 5 U 1651.96 0.00E+00 m 0 0 0 0 0
211 2.148 31.696 0.754 5 U 2272.45 0.00E+00 m 0 0 0 0 0
212 2.162 31.707 3.007 5 U 6057.53 0.00E+00 m 0 0 0 0 0
213 2.945 31.764 3.099 5 U 20412.75 0.00E+00 m 0 0 0 0 0
214 2.946 31.772 8.121 5 U 508.32 0.00E+00 m 0 0 0 0 0
215 1.699 31.785 1.086 5 U 2570.82 0.00E+00 m 0 0 0 0 0
216 2.113 31.803 8.378 5 U 591.62 0.00E+00 m 0 0 0 0 0
217 3.101 31.822 7.848 5 U 353.82 0.00E+00 m 0 0 0 0 0
218 2.053 31.824 1.383 5 U 1892.17 0.00E+00 m 0 0 0 0 0
219 2.053 31.825 1.080 5 U 1178.93 0.00E+00 m 0 0 0 0 0
220 2.052 31.826 1.699 5 U 20369.96 0.00E+00 m 0 0 0 0 0
221 1.913 31.873 7.271 5 U 2636.18 0.00E+00 m 0 0 0 0 0
222 2.054 31.875 4.386 5 U 5691.71 0.00E+00 m 0 0 0 0 0
223 2.215 31.906 1.736 5 U 21638.85 0.00E+00 m 0 0 0 0 0
224 2.090 31.907 2.614 5 U 16187.49 0.00E+00 m 0 0 0 0 0
225 2.215 31.921 4.365 5 U 4748.67 0.00E+00 m 0 0 0 0 0
226 1.914 31.987 1.606 5 U 11014.59 0.00E+00 m 0 0 0 0 0
227 2.640 32.107 2.090 5 U 8619.16 0.00E+00 m 0 0 0 0 0
228 1.798 32.114 1.603 5 U 25931.26 0.00E+00 m 0 0 0 0 0
229 1.805 32.316 4.175 5 U 6030.54 0.00E+00 m 0 0 0 0 0
230 1.934 32.579 1.408 5 U 4487.98 0.00E+00 m 0 0 0 0 0
231 1.619 32.757 1.272 5 U 4800.91 0.00E+00 m 0 0 0 0 0
232 1.940 32.761 3.937 5 U 2901.88 0.00E+00 m 0 0 0 0 0
233 1.946 32.791 7.720 5 U 1767.52 0.00E+00 m 0 0 0 0 0
234 1.940 32.817 1.183 5 U 2340.21 0.00E+00 m 0 0 0 0 0
235 1.483 32.842 1.570 5 U 19524.36 0.00E+00 m 0 0 0 0 0
236 1.481 32.845 1.117 5 U 928.47 0.00E+00 m 0 0 0 0 0
237 1.483 32.863 7.148 5 U 2151.94 0.00E+00 m 0 0 0 0 0
238 1.483 32.868 0.806 5 U 1128.46 0.00E+00 m 0 0 0 0 0
239 1.570 32.871 1.118 5 U 1388.98 0.00E+00 m 0 0 0 0 0
240 1.482 32.875 4.034 5 U 2431.17 0.00E+00 m 0 0 0 0 0
241 1.570 32.877 7.148 5 U 2470.43 0.00E+00 m 0 0 0 0 0
242 1.568 32.881 4.035 5 U 2707.57 0.00E+00 m 0 0 0 0 0
243 1.604 33.147 4.194 5 U 1339.61 0.00E+00 m 0 0 0 0 0
244 2.282 33.294 1.990 5 U 4594.51 0.00E+00 m 0 0 0 0 0
245 2.282 33.356 1.898 5 U 5085.77 0.00E+00 m 0 0 0 0 0
246 2.411 36.111 2.122 5 U 15673.59 0.00E+00 m 0 0 0 0 0
247 3.082 36.187 8.654 5 U 1871.09 0.00E+00 m 0 0 0 0 0
248 3.082 36.218 4.264 5 U 3537.53 0.00E+00 m 0 0 0 0 0
249 2.613 36.220 7.253 5 U 1987.00 0.00E+00 m 0 0 0 0 0
250 2.615 36.249 2.264 5 U 12874.89 0.00E+00 m 0 0 0 0 0
251 3.082 36.265 3.180 5 U 29750.14 0.00E+00 m 0 0 0 0 0
252 2.207 36.428 8.149 5 U 572.58 0.00E+00 m 0 0 0 0 0
253 2.366 36.481 4.050 5 U 2200.27 0.00E+00 m 0 0 0 0 0
254 2.208 36.501 4.233 5 U 1232.33 0.00E+00 m 0 0 0 0 0
255 2.255 36.517 4.226 5 U 1536.90 0.00E+00 m 0 0 0 0 0
256 2.257 36.562 1.970 5 U 7713.37 0.00E+00 m 0 0 0 0 0
257 2.396 36.794 4.234 5 U 1904.35 0.00E+00 m 0 0 0 0 0
258 2.393 36.828 8.545 5 U 1872.43 0.00E+00 m 0 0 0 0 0
259 2.450 36.911 4.235 5 U 1342.31 0.00E+00 m 0 0 0 0 0
260 3.272 36.957 7.945 5 U 813.35 0.00E+00 m 0 0 0 0 0
261 2.397 36.997 1.707 5 U 2831.30 0.00E+00 m 0 0 0 0 0
262 2.418 37.434 4.060 5 U 2448.05 0.00E+00 m 0 0 0 0 0
263 2.295 37.440 4.059 5 U 3034.76 0.00E+00 m 0 0 0 0 0
264 2.418 37.479 7.715 5 U 1137.65 0.00E+00 m 0 0 0 0 0
265 2.671 38.160 6.788 5 U 1387.45 0.00E+00 m 0 0 0 0 0
266 3.161 38.177 6.788 5 U 1928.52 0.00E+00 m 0 0 0 0 0
267 3.161 38.190 2.670 5 U 5028.13 0.00E+00 m 0 0 0 0 0
268 2.076 38.192 4.042 5 U 1162.94 0.00E+00 m 0 0 0 0 0
269 3.160 38.196 3.921 5 U 1948.65 0.00E+00 m 0 0 0 0 0
270 2.076 38.224 0.996 5 U 4733.17 0.00E+00 m 0 0 0 0 0
271 2.915 38.334 7.334 5 U 2531.13 0.00E+00 m 0 0 0 0 0
272 2.917 38.378 4.149 5 U 2376.85 0.00E+00 m 0 0 0 0 0
273 1.465 38.396 0.529 5 U 2755.22 0.00E+00 m 0 0 0 0 0
274 1.466 38.408 -0.226 5 U 1540.00 0.00E+00 m 0 0 0 0 0
275 1.465 38.425 0.841 5 U 1074.52 0.00E+00 m 0 0 0 0 0
276 1.464 38.437 -0.023 5 U 648.65 0.00E+00 m 0 0 0 0 0
277 2.837 38.478 8.125 5 U 1903.59 0.00E+00 m 0 0 0 0 0
278 2.940 38.491 4.487 5 U 2260.61 0.00E+00 m 0 0 0 0 0
279 2.837 38.504 4.511 5 U 2724.69 0.00E+00 m 0 0 0 0 0
280 2.939 38.520 3.995 5 U 603.22 0.00E+00 m 0 0 0 0 0
281 3.086 38.556 10.282 5 U 810.87 0.00E+00 m 0 0 0 0 0
282 2.584 38.941 8.005 5 U 2060.03 0.00E+00 m 0 0 0 0 0
283 2.640 38.994 4.179 5 U 4885.89 0.00E+00 m 0 0 0 0 0
284 2.643 39.043 7.521 5 U 2124.61 0.00E+00 m 0 0 0 0 0
285 2.585 39.075 4.362 5 U 5533.29 0.00E+00 m 0 0 0 0 0
286 3.411 39.127 8.005 5 U 1901.27 0.00E+00 m 0 0 0 0 0
287 3.411 39.186 3.689 5 U 996.34 0.00E+00 m 0 0 0 0 0
288 2.650 39.191 4.357 5 U 6747.35 0.00E+00 m 0 0 0 0 0
289 3.075 39.225 3.409 5 U 3981.28 0.00E+00 m 0 0 0 0 0
290 3.409 39.247 6.891 5 U 2058.05 0.00E+00 m 0 0 0 0 0
291 3.075 39.256 7.995 5 U 2529.53 0.00E+00 m 0 0 0 0 0
292 3.025 39.492 8.270 5 U 1390.83 0.00E+00 m 0 0 0 0 0
293 3.026 39.494 4.539 5 U 1928.12 0.00E+00 m 0 0 0 0 0
294 3.066 39.520 4.538 5 U 2951.86 0.00E+00 m 0 0 0 0 0
295 2.698 39.719 0.157 5 U 2130.10 0.00E+00 m 0 0 0 0 0
296 2.701 39.732 8.624 5 U 2919.57 0.00E+00 m 0 0 0 0 0
297 2.701 39.765 0.386 5 U 959.81 0.00E+00 m 0 0 0 0 0
298 1.724 39.966 0.797 5 U 13723.38 0.00E+00 m 0 0 0 0 0
299 1.725 40.037 8.498 5 U 2574.98 0.00E+00 m 0 0 0 0 0
300 2.860 40.104 8.345 5 U 2208.14 0.00E+00 m 0 0 0 0 0
301 3.402 40.132 3.985 5 U 916.86 0.00E+00 m 0 0 0 0 0
302 2.860 40.141 3.400 5 U 4750.12 0.00E+00 m 0 0 0 0 0
303 3.402 40.151 7.355 5 U 1149.55 0.00E+00 m 0 0 0 0 0
304 3.403 40.162 4.781 5 U 791.38 0.00E+00 m 0 0 0 0 0
305 2.799 40.343 8.362 5 U 2837.66 0.00E+00 m 0 0 0 0 0
306 3.366 40.409 8.348 5 U 3466.13 0.00E+00 m 0 0 0 0 0
307 3.361 40.421 2.764 5 U 6759.14 0.00E+00 m 0 0 0 0 0
308 2.801 40.511 7.364 5 U 2515.41 0.00E+00 m 0 0 0 0 0
309 0.415 40.568 2.819 5 U 663.96 0.00E+00 m 0 0 0 0 0
310 0.415 40.574 1.417 5 U 2477.37 0.00E+00 m 0 0 0 0 0
311 0.414 40.574 -0.508 5 U 1267.64 0.00E+00 m 0 0 0 0 0
312 2.799 40.588 4.056 5 U 6846.76 0.00E+00 m 0 0 0 0 0
313 1.414 40.590 -0.508 5 U 1343.73 0.00E+00 m 0 0 0 0 0
314 1.757 40.788 8.915 5 U 1113.67 0.00E+00 m 0 0 0 0 0
315 1.762 40.919 1.173 5 U 12828.98 0.00E+00 m 0 0 0 0 0
316 0.963 41.002 4.331 5 U 1354.08 0.00E+00 m 0 0 0 0 0
317 2.228 41.262 4.603 5 U 1728.10 0.00E+00 m 0 0 0 0 0
318 1.768 41.642 0.853 5 U 8162.29 0.00E+00 m 0 0 0 0 0
319 2.600 41.692 2.288 5 U 7862.98 0.00E+00 m 0 0 0 0 0
320 2.597 41.697 1.420 5 U 2196.86 0.00E+00 m 0 0 0 0 0
321 2.960 41.809 6.861 5 U 823.42 0.00E+00 m 0 0 0 0 0
322 2.925 41.922 1.602 5 U 5004.23 0.00E+00 m 0 0 0 0 0
323 1.773 42.028 8.625 5 U 1745.67 0.00E+00 m 0 0 0 0 0
324 3.257 43.044 2.052 5 U 3819.20 0.00E+00 m 0 0 0 0 0
325 3.321 43.045 1.818 5 U 1537.48 0.00E+00 m 0 0 0 0 0
326 3.320 43.049 2.051 5 U 4151.53 0.00E+00 m 0 0 0 0 0
327 1.771 45.440 0.932 5 U 1599.45 0.00E+00 m 0 0 0 0 0
328 1.543 45.561 1.763 5 U 6028.60 0.00E+00 m 0 0 0 0 0
329 3.932 46.328 3.793 5 U 12647.51 0.00E+00 m 0 0 0 0 0
330 3.542 49.793 1.376 5 U 1390.47 0.00E+00 m 0 0 0 0 0
331 3.543 49.799 2.808 5 U 5524.21 0.00E+00 m 0 0 0 0 0
332 2.807 49.799 1.075 5 U 2186.66 0.00E+00 m 0 0 0 0 0
333 2.807 49.802 4.315 5 U 2740.27 0.00E+00 m 0 0 0 0 0
334 2.806 49.809 1.376 5 U 1148.38 0.00E+00 m 0 0 0 0 0
335 3.544 49.811 4.316 5 U 3564.30 0.00E+00 m 0 0 0 0 0
336 5.333 50.089 2.771 5 U 2329.40 0.00E+00 m 0 0 0 0 0
337 5.333 50.093 8.372 5 U 1785.93 0.00E+00 m 0 0 0 0 0
338 5.333 50.098 3.356 5 U 2372.36 0.00E+00 m 0 0 0 0 0
339 5.333 50.139 7.015 5 U 1441.95 0.00E+00 m 0 0 0 0 0
340 3.651 50.384 4.520 5 U 4060.02 0.00E+00 m 0 0 0 0 0
341 3.650 50.393 1.947 5 U 5545.86 0.00E+00 m 0 0 0 0 0
342 4.427 51.525 7.129 5 U 2079.87 0.00E+00 m 0 0 0 0 0
343 4.671 51.549 8.062 5 U 5107.47 0.00E+00 m 0 0 0 0 0
344 4.671 51.579 7.631 5 U 1369.21 0.00E+00 m 0 0 0 0 0
345 4.670 51.580 2.538 5 U 2630.94 0.00E+00 m 0 0 0 0 0
346 4.607 52.721 2.344 5 U 2340.87 0.00E+00 m 0 0 0 0 0
347 4.607 52.731 7.529 5 U 1506.24 0.00E+00 m 0 0 0 0 0
348 4.606 52.733 8.731 5 U 5035.09 0.00E+00 m 0 0 0 0 0
349 4.898 52.782 1.555 5 U 1450.81 0.00E+00 m 0 0 0 0 0
350 4.899 52.857 0.933 5 U 506.00 0.00E+00 m 0 0 0 0 0
351 4.902 52.864 9.246 5 U 3482.77 0.00E+00 m 0 0 0 0 0
352 4.901 52.868 1.767 5 U 2924.05 0.00E+00 m 0 0 0 0 0
353 4.522 53.634 3.587 5 U 6908.74 0.00E+00 m 0 0 0 0 0
354 4.314 53.702 0.939 5 U 4099.55 0.00E+00 m 0 0 0 0 0
355 4.314 53.704 7.220 5 U 1170.36 0.00E+00 m 0 0 0 0 0
356 4.193 53.786 1.516 5 U 10670.41 0.00E+00 m 0 0 0 0 0
357 4.194 53.798 7.717 5 U 2864.83 0.00E+00 m 0 0 0 0 0
358 4.353 54.548 7.526 5 U 953.66 0.00E+00 m 0 0 0 0 0
359 4.352 54.572 8.005 5 U 1440.72 0.00E+00 m 0 0 0 0 0
360 4.179 54.745 1.350 5 U 8463.11 0.00E+00 m 0 0 0 0 0
361 4.178 54.799 6.940 5 U 1157.00 0.00E+00 m 0 0 0 0 0
362 4.518 54.812 1.946 5 U 11729.59 0.00E+00 m 0 0 0 0 0
363 5.374 54.831 0.655 5 U 570.91 0.00E+00 m 0 0 0 0 0
364 5.375 54.835 8.115 5 U 3588.86 0.00E+00 m 0 0 0 0 0
365 5.374 54.843 6.943 5 U 733.20 0.00E+00 m 0 0 0 0 0
366 5.375 54.862 2.949 5 U 1875.53 0.00E+00 m 0 0 0 0 0
367 4.415 54.864 8.095 5 U 1249.11 0.00E+00 m 0 0 0 0 0
368 5.375 54.875 3.098 5 U 2169.15 0.00E+00 m 0 0 0 0 0
369 5.376 54.895 7.840 5 U 871.34 0.00E+00 m 0 0 0 0 0
370 4.176 54.911 8.014 5 U 1384.05 0.00E+00 m 0 0 0 0 0
371 4.518 54.949 8.280 5 U 2064.08 0.00E+00 m 0 0 0 0 0
372 4.518 54.954 1.775 5 U 4193.25 0.00E+00 m 0 0 0 0 0
373 2.970 55.112 -1.242 5 U 5169.82 0.00E+00 m 0 0 0 0 0
374 2.970 55.112 7.155 5 U 526.24 0.00E+00 m 0 0 0 0 0
375 4.701 55.259 2.615 5 U 5258.82 0.00E+00 m 0 0 0 0 0
376 4.193 55.934 1.616 5 U 15261.76 0.00E+00 m 0 0 0 0 0
377 4.230 56.563 8.894 5 U 3984.79 0.00E+00 m 0 0 0 0 0
378 4.180 57.210 2.527 5 U 9246.44 0.00E+00 m 0 0 0 0 0
379 2.819 57.241 0.387 5 U 4554.20 0.00E+00 m 0 0 0 0 0
380 4.389 57.396 3.011 5 U 2639.17 0.00E+00 m 0 0 0 0 0
381 4.531 57.455 3.049 5 U 9827.58 0.00E+00 m 0 0 0 0 0
382 4.036 57.647 1.115 5 U 1391.40 0.00E+00 m 0 0 0 0 0
383 4.038 57.752 7.135 5 U 2647.35 0.00E+00 m 0 0 0 0 0
384 4.366 57.853 2.100 5 U 8714.24 0.00E+00 m 0 0 0 0 0
385 4.535 57.873 8.014 5 U 1948.38 0.00E+00 m 0 0 0 0 0
386 4.705 57.967 3.929 5 U 4109.77 0.00E+00 m 0 0 0 0 0
387 4.704 57.984 8.584 5 U 1530.47 0.00E+00 m 0 0 0 0 0
388 4.167 58.002 0.840 5 U 5305.17 0.00E+00 m 0 0 0 0 0
389 4.164 58.025 0.754 5 U 2405.35 0.00E+00 m 0 0 0 0 0
390 4.161 58.124 7.811 5 U 2924.52 0.00E+00 m 0 0 0 0 0
391 4.167 58.133 1.777 5 U 12473.27 0.00E+00 m 0 0 0 0 0
392 3.161 58.191 1.182 5 U 1693.95 0.00E+00 m 0 0 0 0 0
393 3.161 58.195 1.765 5 U 2665.93 0.00E+00 m 0 0 0 0 0
394 4.653 58.196 6.222 5 U 4317.98 0.00E+00 m 0 0 0 0 0
395 3.161 58.214 -1.242 5 U 1271.69 0.00E+00 m 0 0 0 0 0
396 4.653 58.214 7.330 5 U 1627.54 0.00E+00 m 0 0 0 0 0
397 3.919 58.536 2.088 5 U 4478.23 0.00E+00 m 0 0 0 0 0
398 4.242 59.131 1.913 5 U 10054.97 0.00E+00 m 0 0 0 0 0
399 4.208 59.235 8.801 5 U 2921.24 0.00E+00 m 0 0 0 0 0
400 4.047 59.292 2.181 5 U 20194.01 0.00E+00 m 0 0 0 0 0
401 4.049 59.333 0.932 5 U 6512.29 0.00E+00 m 0 0 0 0 0
402 4.253 59.812 8.484 5 U 5623.27 0.00E+00 m 0 0 0 0 0
403 4.254 59.923 0.795 5 U 6709.90 0.00E+00 m 0 0 0 0 0
404 3.935 59.964 0.937 5 U 2461.46 0.00E+00 m 0 0 0 0 0
405 3.937 60.007 7.221 5 U 1237.17 0.00E+00 m 0 0 0 0 0
406 3.936 60.051 8.498 5 U 1295.95 0.00E+00 m 0 0 0 0 0
407 4.148 60.156 3.165 5 U 3710.36 0.00E+00 m 0 0 0 0 0
408 4.273 60.464 2.060 5 U 8310.04 0.00E+00 m 0 0 0 0 0
409 4.238 60.696 3.800 5 U 4835.74 0.00E+00 m 0 0 0 0 0
410 3.735 60.812 2.118 5 U 3678.20 0.00E+00 m 0 0 0 0 0
411 3.784 60.909 2.674 5 U 1325.33 0.00E+00 m 0 0 0 0 0
412 4.403 60.916 4.725 5 U 3654.23 0.00E+00 m 0 0 0 0 0
413 3.784 60.920 0.152 5 U 1999.29 0.00E+00 m 0 0 0 0 0
414 4.403 60.955 1.341 5 U 4437.87 0.00E+00 m 0 0 0 0 0
415 3.783 60.959 0.405 5 U 1044.41 0.00E+00 m 0 0 0 0 0
416 3.783 60.971 6.796 5 U 1626.81 0.00E+00 m 0 0 0 0 0
417 4.403 60.998 9.224 5 U 1178.04 0.00E+00 m 0 0 0 0 0
418 4.265 61.020 3.183 5 U 6723.61 0.00E+00 m 0 0 0 0 0
419 3.987 61.430 1.474 5 U 1268.08 0.00E+00 m 0 0 0 0 0
420 3.988 61.562 7.351 5 U 2388.42 0.00E+00 m 0 0 0 0 0
421 3.989 61.579 8.343 5 U 2720.89 0.00E+00 m 0 0 0 0 0
422 4.049 61.685 0.765 5 U 3426.43 0.00E+00 m 0 0 0 0 0
423 4.048 61.719 8.494 5 U 6590.13 0.00E+00 m 0 0 0 0 0
424 4.391 61.751 8.005 5 U 4542.65 0.00E+00 m 0 0 0 0 0
425 4.391 61.772 1.700 5 U 2844.83 0.00E+00 m 0 0 0 0 0
426 4.046 61.965 8.048 5 U 1093.12 0.00E+00 m 0 0 0 0 0
427 3.512 62.172 -0.021 5 U 1112.77 0.00E+00 m 0 0 0 0 0
428 3.512 62.175 0.522 5 U 2169.34 0.00E+00 m 0 0 0 0 0
429 3.512 62.176 7.352 5 U 3929.13 0.00E+00 m 0 0 0 0 0
430 3.988 62.261 2.645 5 U 843.66 0.00E+00 m 0 0 0 0 0
431 3.988 62.431 8.355 5 U 1998.13 0.00E+00 m 0 0 0 0 0
432 3.696 62.507 3.078 5 U 1837.55 0.00E+00 m 0 0 0 0 0
433 3.695 62.531 6.892 5 U 1115.78 0.00E+00 m 0 0 0 0 0
434 3.696 62.537 0.376 5 U 1259.09 0.00E+00 m 0 0 0 0 0
435 3.696 62.538 8.005 5 U 1622.54 0.00E+00 m 0 0 0 0 0
436 3.696 62.538 -0.506 5 U 2374.98 0.00E+00 m 0 0 0 0 0
437 3.761 64.171 2.972 5 U 4900.89 0.00E+00 m 0 0 0 0 0
438 3.921 64.651 7.817 5 U 1209.45 0.00E+00 m 0 0 0 0 0
439 4.725 71.051 1.338 5 U 4264.13 0.00E+00 m 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 . . 10403 Hz . . . 4.82 . . 34459 2
2 . . C 13 C-aliphatic . . 14085 Hz . . . 42.78 . . 34459 2
3 . . H 1 H . . 10403 Hz . . . 4.82 . . 34459 2
stop_
save_