Content for NMR-STAR saveframe, "spectral_peak_list_4"
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 34698
_Spectral_peak_list.ID 4
_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-15N 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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 h
#INAME 2 N
#INAME 3 H
#SPECTRUM N15NOESY H N HN
3 4.034 127.231 8.494 1 T -1.536e+07 0.00e+00 a 0 0 0 0 0
4 2.938 127.226 8.496 1 T -8.370e+06 0.00e+00 a 0 0 0 0 0
5 2.631 127.222 8.494 1 T -9.150e+06 0.00e+00 a 0 0 0 0 0
6 2.068 127.227 8.495 1 T -4.118e+06 0.00e+00 a 0 0 0 0 0
7 0.978 127.227 8.494 1 T -1.028e+07 0.00e+00 a 0 0 0 0 0
8 0.876 127.219 8.494 1 T -1.589e+07 0.00e+00 a 0 0 0 0 0
9 4.697 127.203 8.496 1 T -3.896e+06 0.00e+00 a 0 0 0 0 0
10 1.935 127.186 8.494 1 T -3.325e+06 0.00e+00 a 0 0 0 0 0
11 7.673 127.289 8.501 1 T -3.038e+06 0.00e+00 a 0 0 0 0 0
14 3.226 127.212 8.496 1 T -2.893e+06 0.00e+00 a 0 0 0 0 0
15 8.667 126.952 8.032 1 T -3.349e+06 0.00e+00 a 0 0 0 0 0
16 8.504 126.942 8.033 1 T -7.893e+06 0.00e+00 a 0 0 0 0 0
18 4.763 126.939 8.034 1 T -3.822e+07 0.00e+00 a 0 0 0 0 0
19 4.367 126.938 8.033 1 T -1.403e+08 0.00e+00 a 0 0 0 0 0
20 4.247 126.939 8.033 1 T -1.167e+07 0.00e+00 a 0 0 0 0 0
21 4.109 126.938 8.033 1 T -5.005e+07 0.00e+00 a 0 0 0 0 0
22 2.294 126.941 8.034 1 T -1.069e+07 0.00e+00 a 0 0 0 0 0
23 2.204 126.936 8.033 1 T -3.307e+07 0.00e+00 a 0 0 0 0 0
24 2.114 126.939 8.033 1 T -2.523e+07 0.00e+00 a 0 0 0 0 0
25 2.036 126.940 8.033 1 T -2.721e+07 0.00e+00 a 0 0 0 0 0
26 1.894 126.938 8.033 1 T -6.138e+07 0.00e+00 a 0 0 0 0 0
27 1.202 126.935 8.034 1 T -1.032e+07 0.00e+00 a 0 0 0 0 0
28 1.622 115.455 7.899 1 T -2.586e+07 0.00e+00 a 0 0 0 0 0
29 0.895 115.455 7.899 1 T -2.203e+07 0.00e+00 a 0 0 0 0 0
30 3.623 115.453 7.899 1 T -2.561e+07 0.00e+00 a 0 0 0 0 0
31 7.333 115.457 7.899 1 T -1.310e+07 0.00e+00 a 0 0 0 0 0
33 8.481 115.454 7.899 1 T -1.359e+07 0.00e+00 a 0 0 0 0 0
34 4.387 115.461 7.900 1 T -7.835e+06 0.00e+00 a 0 0 0 0 0
35 4.017 115.463 7.901 1 T -6.655e+06 0.00e+00 a 0 0 0 0 0
36 3.277 115.463 7.900 1 T -9.466e+06 0.00e+00 a 0 0 0 0 0
37 2.186 115.450 7.899 1 T -1.263e+07 0.00e+00 a 0 0 0 0 0
39 4.311 122.384 8.321 1 T -5.146e+06 0.00e+00 a 0 0 0 0 0
40 4.299 122.353 8.431 1 T -1.345e+07 0.00e+00 a 0 0 0 0 0
41 1.928 122.359 8.431 1 T -4.966e+06 0.00e+00 a 0 0 0 0 0
42 2.051 122.345 8.430 1 T -2.417e+06 0.00e+00 a 0 0 0 0 0
43 2.265 122.390 8.429 1 T -2.874e+06 0.00e+00 a 0 0 0 0 0
44 4.275 125.101 8.301 1 T -1.947e+07 0.00e+00 a 0 0 0 0 0
45 1.394 125.106 8.301 1 T -1.076e+07 0.00e+00 a 0 0 0 0 0
46 4.304 123.333 8.315 1 T -8.219e+06 0.00e+00 a 0 0 0 0 0
47 1.414 123.338 8.316 1 T -6.667e+06 0.00e+00 a 0 0 0 0 0
48 4.365 112.919 8.074 1 T -6.531e+06 0.00e+00 a 0 0 0 0 0
49 1.413 112.913 8.074 1 T -2.640e+06 0.00e+00 a 0 0 0 0 0
50 1.208 112.911 8.077 1 T -1.975e+06 0.00e+00 a 0 0 0 0 0
51 4.244 112.920 8.079 1 T -1.904e+06 0.00e+00 a 0 0 0 0 0
52 4.324 123.097 8.394 1 T -4.274e+06 0.00e+00 a 0 0 0 0 0
53 8.656 120.717 8.052 1 T -8.498e+06 0.00e+00 a 0 0 0 0 0
54 4.417 120.710 8.052 1 T -1.961e+07 0.00e+00 a 0 0 0 0 0
55 3.989 120.717 8.051 1 T -4.301e+07 0.00e+00 a 0 0 0 0 0
56 2.946 120.713 8.050 1 T -3.993e+06 0.00e+00 a 0 0 0 0 0
57 1.817 120.718 8.051 1 T -2.393e+07 0.00e+00 a 0 0 0 0 0
58 1.739 120.714 8.051 1 T -3.308e+07 0.00e+00 a 0 0 0 0 0
59 1.453 120.714 8.051 1 T -1.598e+07 0.00e+00 a 0 0 0 0 0
60 1.396 120.714 8.051 1 T -1.672e+07 0.00e+00 a 0 0 0 0 0
61 1.670 120.743 8.052 1 T -1.408e+07 0.00e+00 a 0 0 0 0 0
62 8.047 116.316 8.660 1 T -4.979e+06 0.00e+00 a 0 0 0 0 0
63 7.927 116.306 8.656 1 T -5.944e+06 0.00e+00 a 0 0 0 0 0
64 4.416 116.303 8.657 1 T -4.171e+07 0.00e+00 a 0 0 0 0 0
65 3.421 116.306 8.659 1 T -8.515e+06 0.00e+00 a 0 0 0 0 0
66 0.503 116.306 8.658 1 T -1.242e+07 0.00e+00 a 0 0 0 0 0
67 1.676 116.319 8.656 1 T -7.060e+06 0.00e+00 a 0 0 0 0 0
68 1.742 116.305 8.657 1 T -1.104e+07 0.00e+00 a 0 0 0 0 0
69 1.818 116.300 8.656 1 T -1.300e+07 0.00e+00 a 0 0 0 0 0
70 1.452 116.299 8.657 1 T -7.170e+06 0.00e+00 a 0 0 0 0 0
71 1.395 116.301 8.658 1 T -1.121e+07 0.00e+00 a 0 0 0 0 0
72 5.300 125.312 7.928 1 T -3.990e+06 0.00e+00 a 0 0 0 0 0
73 3.415 125.318 7.925 1 T -1.269e+07 0.00e+00 a 0 0 0 0 0
74 1.394 125.311 7.926 1 T -1.208e+07 0.00e+00 a 0 0 0 0 0
75 0.502 125.335 7.926 1 T -5.402e+06 0.00e+00 a 0 0 0 0 0
76 8.743 123.641 8.336 1 T -2.149e+06 0.00e+00 a 0 0 0 0 0
77 7.709 123.645 8.340 1 T -2.370e+06 0.00e+00 a 0 0 0 0 0
78 5.103 123.662 8.336 1 T -1.085e+07 0.00e+00 a 0 0 0 0 0
79 2.337 123.652 8.335 1 T -4.433e+06 0.00e+00 a 0 0 0 0 0
80 1.129 123.654 8.336 1 T -1.938e+07 0.00e+00 a 0 0 0 0 0
81 1.025 123.669 8.334 1 T -1.352e+07 0.00e+00 a 0 0 0 0 0
82 0.923 123.654 8.336 1 T -1.038e+07 0.00e+00 a 0 0 0 0 0
83 0.783 123.670 8.338 1 T -4.088e+06 0.00e+00 a 0 0 0 0 0
84 1.928 123.655 8.336 1 T -5.408e+06 0.00e+00 a 0 0 0 0 0
85 8.525 123.372 8.955 1 T -1.982e+06 0.00e+00 a 0 0 0 0 0
87 5.683 123.363 8.952 1 T -1.132e+07 0.00e+00 a 0 0 0 0 0
88 5.073 123.364 8.952 1 T -4.961e+06 0.00e+00 a 0 0 0 0 0
89 4.954 123.339 8.955 1 T -3.596e+06 0.00e+00 a 0 0 0 0 0
91 3.777 123.354 8.957 1 T -3.237e+06 0.00e+00 a 0 0 0 0 0
92 3.619 123.380 8.956 1 T -3.370e+06 0.00e+00 a 0 0 0 0 0
93 2.272 123.373 8.954 1 T -2.017e+06 0.00e+00 a 0 0 0 0 0
94 2.048 123.378 8.954 1 T -3.773e+06 0.00e+00 a 0 0 0 0 0
95 1.908 123.380 8.951 1 T -5.802e+06 0.00e+00 a 0 0 0 0 0
96 1.809 123.363 8.953 1 T -1.068e+07 0.00e+00 a 0 0 0 0 0
97 0.984 123.374 8.954 1 T -7.377e+06 0.00e+00 a 0 0 0 0 0
98 0.881 123.356 8.953 1 T -7.506e+06 0.00e+00 a 0 0 0 0 0
100 8.947 120.816 8.524 1 T -5.409e+06 0.00e+00 a 0 0 0 0 0
101 8.859 120.829 8.527 1 T -5.197e+06 0.00e+00 a 0 0 0 0 0
102 5.068 120.830 8.525 1 T -3.541e+07 0.00e+00 a 0 0 0 0 0
104 4.374 120.824 8.525 1 T -1.046e+07 0.00e+00 a 0 0 0 0 0
105 2.185 120.809 8.528 1 T -3.959e+06 0.00e+00 a 0 0 0 0 0
106 2.021 120.824 8.525 1 T -7.263e+06 0.00e+00 a 0 0 0 0 0
107 1.908 120.829 8.525 1 T -4.739e+07 0.00e+00 a 0 0 0 0 0
108 1.735 120.832 8.525 1 T -1.466e+07 0.00e+00 a 0 0 0 0 0
109 1.592 120.832 8.524 1 T -1.258e+07 0.00e+00 a 0 0 0 0 0
110 1.440 120.823 8.525 1 T -1.024e+07 0.00e+00 a 0 0 0 0 0
111 0.975 120.815 8.525 1 T -9.724e+06 0.00e+00 a 0 0 0 0 0
112 0.882 120.834 8.525 1 T -9.754e+06 0.00e+00 a 0 0 0 0 0
113 7.900 122.978 8.858 1 T -5.905e+06 0.00e+00 a 0 0 0 0 0
114 8.534 123.012 8.852 1 T -3.472e+06 0.00e+00 a 0 0 0 0 0
115 8.938 122.978 8.857 1 T -6.027e+06 0.00e+00 a 0 0 0 0 0
116 5.170 122.978 8.855 1 T -6.791e+06 0.00e+00 a 0 0 0 0 0
119 4.375 122.993 8.855 1 T -1.392e+07 0.00e+00 a 0 0 0 0 0
120 3.311 122.984 8.856 1 T -8.275e+06 0.00e+00 a 0 0 0 0 0
121 2.368 122.979 8.853 1 T -7.152e+06 0.00e+00 a 0 0 0 0 0
122 2.187 122.975 8.854 1 T -4.226e+06 0.00e+00 a 0 0 0 0 0
123 2.029 122.989 8.857 1 T -7.429e+06 0.00e+00 a 0 0 0 0 0
124 1.897 122.980 8.858 1 T -9.408e+06 0.00e+00 a 0 0 0 0 0
125 1.857 122.991 8.853 1 T -1.069e+07 0.00e+00 a 0 0 0 0 0
126 1.737 122.985 8.855 1 T -5.116e+06 0.00e+00 a 0 0 0 0 0
127 1.593 122.968 8.857 1 T -5.051e+06 0.00e+00 a 0 0 0 0 0
128 1.441 122.989 8.858 1 T -3.941e+06 0.00e+00 a 0 0 0 0 0
129 0.890 122.980 8.858 1 T -5.890e+06 0.00e+00 a 0 0 0 0 0
130 8.669 122.568 7.882 1 T -3.613e+06 0.00e+00 a 0 0 0 0 0
131 8.861 122.592 7.882 1 T -4.560e+06 0.00e+00 a 0 0 0 0 0
132 8.495 122.580 7.882 1 T -4.933e+06 0.00e+00 a 0 0 0 0 0
133 3.994 122.579 7.882 1 T -1.051e+07 0.00e+00 a 0 0 0 0 0
134 2.172 122.584 7.882 1 T -1.316e+07 0.00e+00 a 0 0 0 0 0
135 2.062 122.581 7.882 1 T -1.140e+07 0.00e+00 a 0 0 0 0 0
136 1.971 122.583 7.883 1 T -1.349e+07 0.00e+00 a 0 0 0 0 0
137 1.883 122.581 7.882 1 T -1.714e+07 0.00e+00 a 0 0 0 0 0
138 0.878 122.582 7.882 1 T -1.267e+07 0.00e+00 a 0 0 0 0 0
139 8.029 123.386 8.495 1 T -4.129e+06 0.00e+00 a 0 0 0 0 0
140 4.349 123.403 8.495 1 T -1.894e+07 0.00e+00 a 0 0 0 0 0
141 4.241 123.392 8.494 1 T -6.408e+06 0.00e+00 a 0 0 0 0 0
142 1.925 123.305 8.489 1 T -3.414e+07 0.00e+00 a 0 0 0 0 0
143 3.947 115.110 8.435 1 T -4.767e+06 0.00e+00 a 0 0 0 0 0
144 3.767 115.106 8.438 1 T -6.063e+06 0.00e+00 a 0 0 0 0 0
146 0.890 115.110 8.438 1 T -1.061e+07 0.00e+00 a 0 0 0 0 0
147 2.308 115.120 8.438 1 T -3.332e+06 0.00e+00 a 0 0 0 0 0
149 9.054 109.266 8.663 1 T -4.473e+06 0.00e+00 a 0 0 0 0 0
150 8.446 109.274 8.664 1 T -4.691e+06 0.00e+00 a 0 0 0 0 0
151 4.081 109.275 8.664 1 T -1.691e+07 0.00e+00 a 0 0 0 0 0
152 3.941 109.272 8.662 1 T -2.001e+07 0.00e+00 a 0 0 0 0 0
153 3.764 109.281 8.665 1 T -4.960e+06 0.00e+00 a 0 0 0 0 0
154 0.980 109.280 8.663 1 T -5.792e+06 0.00e+00 a 0 0 0 0 0
155 0.888 109.271 8.663 1 T -1.026e+07 0.00e+00 a 0 0 0 0 0
156 4.231 109.258 8.664 1 T -4.608e+06 0.00e+00 a 0 0 0 0 0
157 8.660 121.769 9.060 1 T -3.215e+06 0.00e+00 a 0 0 0 0 0
158 0.964 121.784 9.059 1 T -6.762e+06 0.00e+00 a 0 0 0 0 0
159 0.891 121.785 9.059 1 T -7.568e+06 0.00e+00 a 0 0 0 0 0
160 3.945 121.779 9.059 1 T -3.692e+06 0.00e+00 a 0 0 0 0 0
161 7.506 122.440 9.790 1 T -3.928e+06 0.00e+00 a 0 0 0 0 0
162 3.521 122.417 9.792 1 T -4.304e+06 0.00e+00 a 0 0 0 0 0
163 2.040 122.418 9.789 1 T -8.473e+06 0.00e+00 a 0 0 0 0 0
164 1.040 122.413 9.790 1 T -9.941e+06 0.00e+00 a 0 0 0 0 0
165 0.982 122.410 9.788 1 T -1.142e+07 0.00e+00 a 0 0 0 0 0
166 0.883 122.440 9.788 1 T -4.220e+06 0.00e+00 a 0 0 0 0 0
167 7.228 118.702 7.506 1 T -1.741e+07 0.00e+00 a 0 0 0 0 0
168 0.984 118.716 7.506 1 T -2.217e+07 0.00e+00 a 0 0 0 0 0
169 3.953 118.709 7.506 1 T -2.264e+07 0.00e+00 a 0 0 0 0 0
170 2.016 118.702 7.506 1 T -3.505e+07 0.00e+00 a 0 0 0 0 0
171 1.752 118.702 7.506 1 T -2.492e+07 0.00e+00 a 0 0 0 0 0
172 1.495 118.704 7.507 1 T -1.229e+07 0.00e+00 a 0 0 0 0 0
173 1.388 118.706 7.507 1 T -1.085e+07 0.00e+00 a 0 0 0 0 0
174 0.887 118.771 7.503 1 T -8.608e+06 0.00e+00 a 0 0 0 0 0
175 3.012 118.700 7.507 1 T -4.445e+06 0.00e+00 a 0 0 0 0 0
176 9.786 118.708 7.506 1 T -5.694e+06 0.00e+00 a 0 0 0 0 0
177 8.903 118.710 7.506 1 T -4.363e+06 0.00e+00 a 0 0 0 0 0
178 8.912 119.421 7.230 1 T -1.438e+07 0.00e+00 a 0 0 0 0 0
179 7.508 119.425 7.230 1 T -1.755e+07 0.00e+00 a 0 0 0 0 0
180 8.620 119.420 7.230 1 T -4.295e+06 0.00e+00 a 0 0 0 0 0
181 4.376 119.422 7.231 1 T -6.007e+06 0.00e+00 a 0 0 0 0 0
182 4.183 119.419 7.230 1 T -1.683e+07 0.00e+00 a 0 0 0 0 0
183 3.955 119.419 7.231 1 T -9.301e+06 0.00e+00 a 0 0 0 0 0
184 2.000 119.425 7.230 1 T -1.963e+07 0.00e+00 a 0 0 0 0 0
185 1.753 119.419 7.230 1 T -8.798e+06 0.00e+00 a 0 0 0 0 0
186 1.386 119.419 7.230 1 T -4.004e+07 0.00e+00 a 0 0 0 0 0
187 1.483 119.411 7.231 1 T -7.297e+06 0.00e+00 a 0 0 0 0 0
188 0.975 119.417 7.230 1 T -1.516e+07 0.00e+00 a 0 0 0 0 0
189 0.891 119.425 7.230 1 T -7.374e+06 0.00e+00 a 0 0 0 0 0
190 0.659 119.419 7.231 1 T -4.111e+06 0.00e+00 a 0 0 0 0 0
191 0.501 119.432 7.232 1 T -4.180e+06 0.00e+00 a 0 0 0 0 0
193 3.523 119.409 7.229 1 T -4.408e+06 0.00e+00 a 0 0 0 0 0
194 8.622 114.372 8.913 1 T -5.077e+06 0.00e+00 a 0 0 0 0 0
195 7.227 114.378 8.909 1 T -1.084e+07 0.00e+00 a 0 0 0 0 0
196 4.357 114.385 8.910 1 T -5.009e+06 0.00e+00 a 0 0 0 0 0
197 4.179 114.366 8.909 1 T -4.444e+06 0.00e+00 a 0 0 0 0 0
198 3.520 114.373 8.908 1 T -5.359e+06 0.00e+00 a 0 0 0 0 0
199 1.982 114.366 8.910 1 T -9.979e+06 0.00e+00 a 0 0 0 0 0
200 1.823 114.366 8.911 1 T -6.365e+06 0.00e+00 a 0 0 0 0 0
201 1.386 114.378 8.909 1 T -1.597e+07 0.00e+00 a 0 0 0 0 0
202 1.037 114.377 8.909 1 T -7.874e+06 0.00e+00 a 0 0 0 0 0
203 0.974 114.376 8.910 1 T -9.079e+06 0.00e+00 a 0 0 0 0 0
204 0.899 114.361 8.910 1 T -4.906e+06 0.00e+00 a 0 0 0 0 0
205 0.649 114.372 8.912 1 T -8.331e+06 0.00e+00 a 0 0 0 0 0
206 0.499 114.368 8.910 1 T -9.147e+06 0.00e+00 a 0 0 0 0 0
207 8.910 122.436 8.616 1 T -7.801e+06 0.00e+00 a 0 0 0 0 0
208 7.544 122.437 8.620 1 T -1.095e+07 0.00e+00 a 0 0 0 0 0
210 3.240 122.442 8.620 1 T -4.175e+06 0.00e+00 a 0 0 0 0 0
211 4.166 122.444 8.618 1 T -1.208e+07 0.00e+00 a 0 0 0 0 0
212 3.946 122.427 8.616 1 T -4.969e+06 0.00e+00 a 0 0 0 0 0
213 2.011 122.440 8.619 1 T -2.563e+07 0.00e+00 a 0 0 0 0 0
214 1.881 122.443 8.620 1 T -1.479e+07 0.00e+00 a 0 0 0 0 0
215 1.814 122.447 8.618 1 T -1.622e+07 0.00e+00 a 0 0 0 0 0
216 1.041 122.436 8.619 1 T -1.132e+07 0.00e+00 a 0 0 0 0 0
217 0.986 122.446 8.620 1 T -1.066e+07 0.00e+00 a 0 0 0 0 0
218 0.649 122.446 8.620 1 T -3.640e+06 0.00e+00 a 0 0 0 0 0
219 0.499 122.447 8.618 1 T -3.827e+06 0.00e+00 a 0 0 0 0 0
220 1.383 122.436 8.620 1 T -6.401e+06 0.00e+00 a 0 0 0 0 0
221 0.835 122.446 8.620 1 T -5.406e+06 0.00e+00 a 0 0 0 0 0
222 3.523 122.412 8.620 1 T -4.201e+06 0.00e+00 a 0 0 0 0 0
223 7.408 118.519 7.547 1 T -1.103e+07 0.00e+00 a 0 0 0 0 0
224 7.350 118.525 7.547 1 T -8.497e+06 0.00e+00 a 0 0 0 0 0
225 8.618 118.512 7.546 1 T -1.006e+07 0.00e+00 a 0 0 0 0 0
226 4.174 118.523 7.546 1 T -9.097e+06 0.00e+00 a 0 0 0 0 0
227 4.093 118.521 7.546 1 T -1.243e+07 0.00e+00 a 0 0 0 0 0
228 1.983 118.529 7.545 1 T -2.362e+07 0.00e+00 a 0 0 0 0 0
231 1.826 118.547 7.545 1 T -2.611e+07 0.00e+00 a 0 0 0 0 0
232 0.844 118.515 7.546 1 T -2.987e+07 0.00e+00 a 0 0 0 0 0
233 1.221 118.512 7.547 1 T -1.123e+07 0.00e+00 a 0 0 0 0 0
234 0.143 118.513 7.546 1 T -4.822e+06 0.00e+00 a 0 0 0 0 0
235 1.384 118.545 7.549 1 T -5.179e+06 0.00e+00 a 0 0 0 0 0
236 7.341 116.570 7.412 1 T -1.352e+07 0.00e+00 a 0 0 0 0 0
237 7.549 116.590 7.409 1 T -8.337e+06 0.00e+00 a 0 0 0 0 0
238 7.042 116.603 7.408 1 T -4.017e+06 0.00e+00 a 0 0 0 0 0
239 4.359 116.576 7.411 1 T -3.902e+06 0.00e+00 a 0 0 0 0 0
240 3.932 116.562 7.411 1 T -6.238e+06 0.00e+00 a 0 0 0 0 0
241 0.145 116.588 7.410 1 T -3.928e+06 0.00e+00 a 0 0 0 0 0
242 0.496 116.594 7.415 1 T -3.452e+06 0.00e+00 a 0 0 0 0 0
243 0.854 116.586 7.408 1 T -7.891e+06 0.00e+00 a 0 0 0 0 0
244 1.991 116.592 7.410 1 T -6.404e+06 0.00e+00 a 0 0 0 0 0
245 2.066 116.565 7.409 1 T -4.942e+06 0.00e+00 a 0 0 0 0 0
246 1.836 116.570 7.406 1 T -5.122e+06 0.00e+00 a 0 0 0 0 0
247 2.191 116.563 7.407 1 T -3.700e+06 0.00e+00 a 0 0 0 0 0
248 2.308 116.591 7.412 1 T -3.373e+06 0.00e+00 a 0 0 0 0 0
249 1.223 116.602 7.412 1 T -3.666e+06 0.00e+00 a 0 0 0 0 0
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681 1.816 109.282 8.659 1 T -3.124e+06 0.00e+00 a 0 0 0 0 0
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716 9.796 119.428 7.230 1 T -2.433e+06 0.00e+00 a 0 0 0 0 0
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721 7.515 114.386 8.911 1 T -3.697e+06 0.00e+00 a 0 0 0 0 0
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727 0.498 120.731 8.054 1 T -2.797e+06 0.00e+00 a 0 0 0 0 0
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729 3.096 116.316 8.654 1 T -3.484e+06 0.00e+00 a 0 0 0 0 0
730 2.959 116.285 8.654 1 T -2.816e+06 0.00e+00 a 0 0 0 0 0
733 8.659 125.336 7.921 1 T -3.249e+06 0.00e+00 a 0 0 0 0 0
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736 1.735 123.647 8.335 1 T -4.439e+06 0.00e+00 a 0 0 0 0 0
737 1.778 123.662 8.335 1 T -3.848e+06 0.00e+00 a 0 0 0 0 0
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739 5.026 123.660 8.335 1 T -5.171e+06 0.00e+00 a 0 0 0 0 0
740 5.604 124.764 9.089 1 T -3.441e+06 0.00e+00 a 0 0 0 0 0
741 5.679 124.772 9.082 1 T -2.710e+06 0.00e+00 a 0 0 0 0 0
742 0.987 124.790 9.078 1 T -4.273e+06 0.00e+00 a 0 0 0 0 0
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744 0.973 122.528 7.882 1 T -3.323e+06 0.00e+00 a 0 0 0 0 0
745 1.439 122.593 7.886 1 T -2.573e+06 0.00e+00 a 0 0 0 0 0
746 1.914 115.115 8.442 1 T -2.393e+06 0.00e+00 a 0 0 0 0 0
747 4.367 109.299 8.666 1 T -2.916e+06 0.00e+00 a 0 0 0 0 0
748 9.058 122.374 9.790 1 T -2.042e+06 0.00e+00 a 0 0 0 0 0
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750 1.962 122.396 9.795 1 T -2.725e+06 0.00e+00 a 0 0 0 0 0
752 0.652 122.365 9.791 1 T -2.827e+06 0.00e+00 a 0 0 0 0 0
754 1.489 122.427 9.784 1 T -2.415e+06 0.00e+00 a 0 0 0 0 0
755 3.224 118.775 7.503 1 T -2.682e+06 0.00e+00 a 0 0 0 0 0
756 3.232 118.710 7.503 1 T -2.438e+06 0.00e+00 a 0 0 0 0 0
757 1.967 118.710 7.503 1 T -3.226e+07 0.00e+00 a 0 0 0 0 0
758 0.881 118.710 7.502 1 T -7.922e+06 0.00e+00 a 0 0 0 0 0
759 1.038 118.710 7.503 1 T -1.174e+07 0.00e+00 a 0 0 0 0 0
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761 0.336 119.414 7.231 1 T -3.808e+06 0.00e+00 a 0 0 0 0 0
762 0.370 119.414 7.231 1 T -4.048e+06 0.00e+00 a 0 0 0 0 0
765 0.731 114.395 8.910 1 T -3.567e+06 0.00e+00 a 0 0 0 0 0
766 0.334 114.375 8.906 1 T -1.839e+06 0.00e+00 a 0 0 0 0 0
767 7.426 122.476 8.614 1 T -3.492e+06 0.00e+00 a 0 0 0 0 0
768 7.228 122.440 8.618 1 T -3.457e+06 0.00e+00 a 0 0 0 0 0
769 4.365 122.464 8.614 1 T -4.198e+06 0.00e+00 a 0 0 0 0 0
770 1.039 118.564 7.544 1 T -5.578e+06 0.00e+00 a 0 0 0 0 0
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772 3.953 118.547 7.542 1 T -6.413e+06 0.00e+00 a 0 0 0 0 0
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776 4.158 121.425 8.398 1 T -6.459e+06 0.00e+00 a 0 0 0 0 0
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779 1.618 121.432 8.400 1 T -4.995e+06 0.00e+00 a 0 0 0 0 0
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781 1.208 121.426 8.400 1 T -3.852e+06 0.00e+00 a 0 0 0 0 0
782 1.040 121.417 8.399 1 T -3.000e+06 0.00e+00 a 0 0 0 0 0
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786 2.400 114.300 7.338 1 T -3.353e+06 0.00e+00 a 0 0 0 0 0
787 4.119 114.273 7.334 1 T -2.769e+06 0.00e+00 a 0 0 0 0 0
788 3.106 119.915 8.479 1 T -2.702e+06 0.00e+00 a 0 0 0 0 0
789 0.141 119.928 8.483 1 T -2.656e+06 0.00e+00 a 0 0 0 0 0
790 0.001 119.891 8.480 1 T -3.316e+06 0.00e+00 a 0 0 0 0 0
791 0.757 127.261 8.493 1 T -1.924e+06 0.00e+00 a 0 0 0 0 0
792 1.838 119.511 7.502 1 T -3.593e+06 0.00e+00 a 0 0 0 0 0
793 1.791 119.461 7.506 1 T -3.829e+06 0.00e+00 a 0 0 0 0 0
794 0.889 119.489 7.503 1 T -4.672e+06 0.00e+00 a 0 0 0 0 0
795 0.945 119.489 7.503 1 T -4.611e+06 0.00e+00 a 0 0 0 0 0
796 2.207 119.491 7.502 1 T -3.004e+06 0.00e+00 a 0 0 0 0 0
797 1.960 119.453 7.502 1 T -2.705e+06 0.00e+00 a 0 0 0 0 0
798 8.326 119.451 7.506 1 T -2.529e+06 0.00e+00 a 0 0 0 0 0
799 -0.110 125.650 8.135 1 T -2.388e+06 0.00e+00 a 0 0 0 0 0
800 7.435 125.675 8.139 1 T -1.970e+06 0.00e+00 a 0 0 0 0 0
801 8.496 125.663 8.138 1 T -2.317e+06 0.00e+00 a 0 0 0 0 0
802 7.509 125.640 8.145 1 T -3.050e+06 0.00e+00 a 0 0 0 0 0
803 5.624 125.688 8.130 1 T -2.715e+06 0.00e+00 a 0 0 0 0 0
804 9.028 120.032 8.518 1 T -3.210e+06 0.00e+00 a 0 0 0 0 0
806 0.694 120.075 8.515 1 T -1.433e+07 0.00e+00 a 0 0 0 0 0
807 0.745 120.075 8.516 1 T -1.791e+07 0.00e+00 a 0 0 0 0 0
808 1.711 120.050 8.519 1 T -5.067e+06 0.00e+00 a 0 0 0 0 0
809 1.840 120.014 8.523 1 T -4.957e+06 0.00e+00 a 0 0 0 0 0
810 0.318 115.641 8.241 1 T -2.194e+06 0.00e+00 a 0 0 0 0 0
811 4.453 115.658 8.245 1 T -2.387e+06 0.00e+00 a 0 0 0 0 0
812 3.844 115.663 8.250 1 T -2.615e+06 0.00e+00 a 0 0 0 0 0
813 2.619 115.668 8.249 1 T -7.284e+06 0.00e+00 a 0 0 0 0 0
814 2.480 115.668 8.246 1 T -8.696e+06 0.00e+00 a 0 0 0 0 0
815 4.204 127.174 8.678 1 T -1.872e+06 0.00e+00 a 0 0 0 0 0
816 1.386 127.172 8.680 1 T -2.088e+06 0.00e+00 a 0 0 0 0 0
817 3.739 116.581 8.094 1 T -3.001e+06 0.00e+00 a 0 0 0 0 0
818 4.021 116.569 8.102 1 T -3.145e+06 0.00e+00 a 0 0 0 0 0
819 1.652 116.593 8.083 1 T -2.053e+06 0.00e+00 a 0 0 0 0 0
820 8.540 119.861 8.943 1 T -2.366e+06 0.00e+00 a 0 0 0 0 0
821 7.912 119.878 8.945 1 T -3.776e+06 0.00e+00 a 0 0 0 0 0
822 5.689 119.875 8.943 1 T -2.379e+06 0.00e+00 a 0 0 0 0 0
824 0.731 122.387 9.068 1 T -4.885e+06 0.00e+00 a 0 0 0 0 0
825 4.628 124.229 8.449 1 T -3.880e+06 0.00e+00 a 0 0 0 0 0
826 0.729 124.234 8.453 1 T -8.709e+06 0.00e+00 a 0 0 0 0 0
827 0.326 124.235 8.459 1 T -3.263e+06 0.00e+00 a 0 0 0 0 0
828 1.395 124.204 8.455 1 T -3.520e+06 0.00e+00 a 0 0 0 0 0
830 5.109 124.233 8.456 1 T -1.813e+06 0.00e+00 a 0 0 0 0 0
831 7.503 125.012 8.221 1 T -3.341e+06 0.00e+00 a 0 0 0 0 0
832 2.497 125.028 8.225 1 T -3.202e+06 0.00e+00 a 0 0 0 0 0
833 5.019 124.983 8.223 1 T -3.025e+06 0.00e+00 a 0 0 0 0 0
834 2.876 124.981 8.234 1 T -1.996e+06 0.00e+00 a 0 0 0 0 0
835 7.040 123.346 8.679 1 T -3.974e+06 0.00e+00 a 0 0 0 0 0
836 7.205 123.380 8.681 1 T -2.540e+06 0.00e+00 a 0 0 0 0 0
837 7.930 123.329 8.676 1 T -2.521e+06 0.00e+00 a 0 0 0 0 0
838 4.293 123.352 8.678 1 T -3.175e+06 0.00e+00 a 0 0 0 0 0
839 1.807 123.361 8.682 1 T -3.006e+06 0.00e+00 a 0 0 0 0 0
840 0.977 123.320 8.671 1 T -3.433e+06 0.00e+00 a 0 0 0 0 0
841 0.505 123.356 8.683 1 T -2.452e+06 0.00e+00 a 0 0 0 0 0
842 0.884 122.956 8.511 1 T -6.719e+06 0.00e+00 a 0 0 0 0 0
843 8.627 119.375 7.962 1 T -4.001e+06 0.00e+00 a 0 0 0 0 0
844 2.145 119.326 7.958 1 T -1.026e+07 0.00e+00 a 0 0 0 0 0
845 1.981 107.634 8.623 1 T -3.353e+06 0.00e+00 a 0 0 0 0 0
848 0.505 107.621 8.623 1 T -1.636e+06 0.00e+00 a 0 0 0 0 0
849 1.236 116.181 8.570 1 T -2.066e+06 0.00e+00 a 0 0 0 0 0
850 3.213 122.905 9.118 1 T -2.093e+06 0.00e+00 a 0 0 0 0 0
851 3.030 122.864 9.119 1 T -2.774e+06 0.00e+00 a 0 0 0 0 0
852 3.140 122.889 9.119 1 T -2.066e+06 0.00e+00 a 0 0 0 0 0
853 2.821 120.608 8.198 1 T -2.928e+06 0.00e+00 a 0 0 0 0 0
854 0.175 120.581 8.199 1 T -1.973e+06 0.00e+00 a 0 0 0 0 0
855 0.176 120.640 8.200 1 T -1.973e+06 0.00e+00 a 0 0 0 0 0
856 3.763 119.133 7.987 1 T -3.973e+06 0.00e+00 a 0 0 0 0 0
857 7.181 119.393 8.178 1 T -2.264e+06 0.00e+00 a 0 0 0 0 0
858 2.118 119.365 8.181 1 T -3.911e+06 0.00e+00 a 0 0 0 0 0
859 1.324 119.331 8.183 1 T -3.080e+06 0.00e+00 a 0 0 0 0 0
860 0.749 119.359 8.181 1 T -1.063e+07 0.00e+00 a 0 0 0 0 0
861 0.355 116.080 7.390 1 T -2.237e+06 0.00e+00 a 0 0 0 0 0
862 4.227 116.038 7.389 1 T -3.605e+06 0.00e+00 a 0 0 0 0 0
863 3.764 116.065 7.390 1 T -3.933e+06 0.00e+00 a 0 0 0 0 0
864 1.545 116.336 7.188 1 T -5.011e+06 0.00e+00 a 0 0 0 0 0
865 8.905 115.316 7.192 1 T -2.692e+06 0.00e+00 a 0 0 0 0 0
866 0.347 115.428 7.627 1 T -2.075e+06 0.00e+00 a 0 0 0 0 0
867 4.762 115.364 7.625 1 T -8.461e+06 0.00e+00 a 0 0 0 0 0
868 8.148 115.390 7.628 1 T -2.109e+06 0.00e+00 a 0 0 0 0 0
869 4.552 114.275 8.125 1 T -2.833e+06 0.00e+00 a 0 0 0 0 0
870 1.912 114.277 8.127 1 T -3.081e+06 0.00e+00 a 0 0 0 0 0
871 0.784 126.054 8.589 1 T -2.480e+06 0.00e+00 a 0 0 0 0 0
872 1.148 126.068 8.591 1 T -2.312e+06 0.00e+00 a 0 0 0 0 0
873 8.593 117.817 9.010 1 T -3.889e+06 0.00e+00 a 0 0 0 0 0
876 3.847 120.420 8.632 1 T -2.905e+06 0.00e+00 a 0 0 0 0 0
877 -0.669 117.595 7.480 1 T -2.983e+06 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 . 'not observed' 12.01 ppm . . . 4.7 . . 34698 4
2 . . N 15 N . 'not observed' 25 ppm . . . 117.0 . . 34698 4
3 . . H 1 HN . 'not observed' 12.01 ppm . . . 4.7 . . 34698 4
stop_
save_