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 34459
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 13
_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 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 8.504 128.259 4.271 5 U 821.46 0.00E+00 m 0 0 0 0 0
2 8.502 128.256 1.076 5 U 513.95 0.00E+00 m 0 0 0 0 0
3 8.502 128.255 0.806 5 U 1062.42 0.00E+00 m 0 0 0 0 0
4 8.502 128.252 1.443 5 U 416.22 0.00E+00 m 0 0 0 0 0
5 8.101 127.821 2.642 5 U 308.40 0.00E+00 m 0 0 0 0 0
6 8.100 127.817 4.142 5 U 958.78 0.00E+00 m 0 0 0 0 0
7 8.100 127.815 0.876 5 U 190.37 0.00E+00 m 0 0 0 0 0
8 8.101 127.810 1.832 5 U 164.48 0.00E+00 m 0 0 0 0 0
9 10.300 127.663 0.748 5 U 259.66 0.00E+00 m 0 0 0 0 0
10 10.300 127.662 0.381 5 U 146.57 0.00E+00 m 0 0 0 0 0
11 10.301 127.662 -0.488 5 U 145.58 0.00E+00 m 0 0 0 0 0
12 10.300 127.661 6.889 5 U 572.75 0.00E+00 m 0 0 0 0 0
13 10.299 127.659 8.011 5 U 170.77 0.00E+00 m 0 0 0 0 0
14 10.300 127.659 3.448 5 U 258.99 0.00E+00 m 0 0 0 0 0
15 10.300 127.651 6.220 5 U 171.73 0.00E+00 m 0 0 0 0 0
16 10.300 127.650 8.831 5 U 107.55 0.00E+00 m 0 0 0 0 0
17 10.300 127.649 1.959 5 U 261.68 0.00E+00 m 0 0 0 0 0
18 8.558 126.792 8.135 5 U 123.22 0.00E+00 m 0 0 0 0 0
19 8.558 126.759 2.172 5 U 569.63 0.00E+00 m 0 0 0 0 0
20 8.557 126.759 0.170 5 U 208.23 0.00E+00 m 0 0 0 0 0
21 8.557 126.755 0.974 5 U 498.44 0.00E+00 m 0 0 0 0 0
22 8.557 126.747 4.345 5 U 3656.39 0.00E+00 m 0 0 0 0 0
23 8.558 126.747 1.166 5 U 1211.52 0.00E+00 m 0 0 0 0 0
24 8.557 126.744 2.449 5 U 968.72 0.00E+00 m 0 0 0 0 0
25 8.558 126.744 1.718 5 U 1871.10 0.00E+00 m 0 0 0 0 0
26 8.509 125.660 0.820 5 U 1208.59 0.00E+00 m 0 0 0 0 0
27 8.509 125.657 1.781 5 U 2051.79 0.00E+00 m 0 0 0 0 0
28 8.516 125.656 4.917 5 U 298.02 0.00E+00 m 0 0 0 0 0
29 8.509 125.656 4.271 5 U 2899.69 0.00E+00 m 0 0 0 0 0
30 8.509 125.655 1.564 5 U 1238.49 0.00E+00 m 0 0 0 0 0
31 8.740 125.280 2.343 5 U 296.20 0.00E+00 m 0 0 0 0 0
32 8.742 125.267 1.478 5 U 1047.32 0.00E+00 m 0 0 0 0 0
33 8.742 125.264 0.862 5 U 559.75 0.00E+00 m 0 0 0 0 0
34 8.742 125.262 -0.005 5 U 295.79 0.00E+00 m 0 0 0 0 0
35 8.742 125.255 3.525 5 U 346.02 0.00E+00 m 0 0 0 0 0
36 8.742 125.255 -0.208 5 U 223.22 0.00E+00 m 0 0 0 0 0
37 8.741 125.248 7.526 5 U 221.08 0.00E+00 m 0 0 0 0 0
38 8.737 125.243 4.371 5 U 103.08 0.00E+00 m 0 0 0 0 0
39 9.307 125.102 7.191 5 U 748.47 0.00E+00 m 0 0 0 0 0
40 9.307 125.100 3.180 5 U 189.76 0.00E+00 m 0 0 0 0 0
41 9.307 125.099 7.370 5 U 575.76 0.00E+00 m 0 0 0 0 0
42 9.307 125.096 4.800 5 U 171.76 0.00E+00 m 0 0 0 0 0
43 9.307 125.094 3.410 5 U 643.14 0.00E+00 m 0 0 0 0 0
44 9.307 125.094 4.002 5 U 245.13 0.00E+00 m 0 0 0 0 0
45 9.307 125.093 -1.225 5 U 1613.50 0.00E+00 m 0 0 0 0 0
46 9.307 125.092 2.977 5 U 998.07 0.00E+00 m 0 0 0 0 0
47 9.307 125.087 4.221 5 U 100.52 0.00E+00 m 0 0 0 0 0
48 7.650 124.757 8.056 5 U 128.25 0.00E+00 m 0 0 0 0 0
49 7.649 124.691 2.552 5 U 897.92 0.00E+00 m 0 0 0 0 0
50 7.649 124.684 2.767 5 U 854.19 0.00E+00 m 0 0 0 0 0
51 8.402 124.599 4.022 5 U 408.58 0.00E+00 m 0 0 0 0 0
52 8.402 124.598 3.815 5 U 199.08 0.00E+00 m 0 0 0 0 0
53 8.402 124.594 4.251 5 U 637.34 0.00E+00 m 0 0 0 0 0
54 8.400 124.588 2.680 5 U 1473.93 0.00E+00 m 0 0 0 0 0
55 8.402 124.588 2.823 5 U 1523.11 0.00E+00 m 0 0 0 0 0
56 8.402 124.584 4.454 5 U 794.54 0.00E+00 m 0 0 0 0 0
57 7.361 124.376 1.482 5 U 108.73 0.00E+00 m 0 0 0 0 0
58 7.360 124.376 -0.005 5 U 116.09 0.00E+00 m 0 0 0 0 0
59 7.361 124.375 5.340 5 U 360.87 0.00E+00 m 0 0 0 0 0
60 7.360 124.369 8.370 5 U 304.08 0.00E+00 m 0 0 0 0 0
61 8.037 124.282 8.279 5 U 309.37 0.00E+00 m 0 0 0 0 0
62 8.040 124.282 4.208 5 U 325.05 0.00E+00 m 0 0 0 0 0
63 8.037 124.279 3.075 5 U 236.73 0.00E+00 m 0 0 0 0 0
64 8.037 124.277 4.552 5 U 1240.18 0.00E+00 m 0 0 0 0 0
65 8.037 124.273 1.650 5 U 663.12 0.00E+00 m 0 0 0 0 0
66 8.037 124.271 1.295 5 U 207.23 0.00E+00 m 0 0 0 0 0
67 8.830 124.179 6.220 5 U 158.83 0.00E+00 m 0 0 0 0 0
68 8.832 124.168 4.125 5 U 683.67 0.00E+00 m 0 0 0 0 0
69 8.830 124.168 4.280 5 U 944.89 0.00E+00 m 0 0 0 0 0
70 8.830 124.167 2.088 5 U 2490.32 0.00E+00 m 0 0 0 0 0
71 8.829 124.167 3.094 5 U 682.74 0.00E+00 m 0 0 0 0 0
72 8.903 124.156 8.647 5 U 618.90 0.00E+00 m 0 0 0 0 0
73 8.830 124.148 3.753 5 U 126.89 0.00E+00 m 0 0 0 0 0
74 8.904 124.148 2.142 5 U 1895.16 0.00E+00 m 0 0 0 0 0
75 8.904 124.148 1.945 5 U 1277.21 0.00E+00 m 0 0 0 0 0
76 8.904 124.146 2.399 5 U 522.16 0.00E+00 m 0 0 0 0 0
77 8.904 124.144 3.931 5 U 624.51 0.00E+00 m 0 0 0 0 0
78 8.904 124.143 1.725 5 U 288.83 0.00E+00 m 0 0 0 0 0
79 8.902 124.140 3.179 5 U 176.17 0.00E+00 m 0 0 0 0 0
80 8.084 124.052 0.005 5 U 223.17 0.00E+00 m 0 0 0 0 0
81 8.083 124.024 -0.495 5 U 277.27 0.00E+00 m 0 0 0 0 0
82 8.085 124.023 2.251 5 U 959.42 0.00E+00 m 0 0 0 0 0
83 8.084 124.021 2.835 5 U 835.93 0.00E+00 m 0 0 0 0 0
84 8.084 124.017 1.426 5 U 986.96 0.00E+00 m 0 0 0 0 0
85 8.085 124.015 8.395 5 U 648.10 0.00E+00 m 0 0 0 0 0
86 8.084 124.009 0.432 5 U 1159.12 0.00E+00 m 0 0 0 0 0
87 8.085 124.004 7.260 5 U 896.27 0.00E+00 m 0 0 0 0 0
88 8.084 124.002 4.045 5 U 393.53 0.00E+00 m 0 0 0 0 0
89 8.085 123.979 2.628 5 U 170.27 0.00E+00 m 0 0 0 0 0
90 8.349 123.335 0.170 5 U 171.62 0.00E+00 m 0 0 0 0 0
91 8.350 123.313 6.515 5 U 949.12 0.00E+00 m 0 0 0 0 0
92 8.350 123.306 7.970 5 U 856.29 0.00E+00 m 0 0 0 0 0
93 8.351 123.276 3.794 5 U 624.75 0.00E+00 m 0 0 0 0 0
94 8.351 123.266 1.730 5 U 730.55 0.00E+00 m 0 0 0 0 0
95 8.351 123.236 6.788 5 U 211.77 0.00E+00 m 0 0 0 0 0
96 8.351 123.223 3.174 5 U 1029.02 0.00E+00 m 0 0 0 0 0
97 8.352 123.189 2.685 5 U 2362.27 0.00E+00 m 0 0 0 0 0
98 8.125 122.866 4.152 5 U 250.04 0.00E+00 m 0 0 0 0 0
99 8.124 122.846 1.839 5 U 328.43 0.00E+00 m 0 0 0 0 0
100 8.123 122.846 1.100 5 U 180.11 0.00E+00 m 0 0 0 0 0
101 8.355 122.841 9.304 5 U 601.50 0.00E+00 m 0 0 0 0 0
102 8.124 122.838 0.880 5 U 103.59 0.00E+00 m 0 0 0 0 0
103 8.355 122.816 7.361 5 U 1292.42 0.00E+00 m 0 0 0 0 0
104 8.355 122.808 4.800 5 U 262.17 0.00E+00 m 0 0 0 0 0
105 8.356 122.767 -1.225 5 U 204.40 0.00E+00 m 0 0 0 0 0
106 8.689 122.635 1.561 5 U 151.04 0.00E+00 m 0 0 0 0 0
107 8.689 122.631 4.045 5 U 507.94 0.00E+00 m 0 0 0 0 0
108 8.689 122.626 7.530 5 U 1321.58 0.00E+00 m 0 0 0 0 0
109 8.688 122.625 -1.226 5 U 130.82 0.00E+00 m 0 0 0 0 0
110 8.689 122.624 4.405 5 U 275.58 0.00E+00 m 0 0 0 0 0
111 8.688 122.624 2.998 5 U 1573.62 0.00E+00 m 0 0 0 0 0
112 8.688 122.620 6.245 5 U 205.62 0.00E+00 m 0 0 0 0 0
113 8.687 122.620 6.999 5 U 125.34 0.00E+00 m 0 0 0 0 0
114 8.687 122.617 7.183 5 U 176.91 0.00E+00 m 0 0 0 0 0
115 8.690 122.596 0.816 5 U 118.00 0.00E+00 m 0 0 0 0 0
116 8.550 122.573 8.361 5 U 935.19 0.00E+00 m 0 0 0 0 0
117 8.551 122.411 2.118 5 U 430.73 0.00E+00 m 0 0 0 0 0
118 8.551 122.407 1.353 5 U 871.89 0.00E+00 m 0 0 0 0 0
119 8.551 122.403 4.191 5 U 630.18 0.00E+00 m 0 0 0 0 0
120 8.550 122.388 4.381 5 U 263.64 0.00E+00 m 0 0 0 0 0
121 8.071 121.745 6.954 5 U 255.71 0.00E+00 m 0 0 0 0 0
122 8.070 121.732 2.545 5 U 251.65 0.00E+00 m 0 0 0 0 0
123 8.070 121.745 3.175 5 U 386.16 0.00E+00 m 0 0 0 0 0
124 8.070 121.741 2.920 5 U 1375.70 0.00E+00 m 0 0 0 0 0
125 7.235 121.760 7.718 5 U 102.35 0.00E+00 m 0 0 0 0 0
126 7.235 121.717 3.556 5 U 112.42 0.00E+00 m 0 0 0 0 0
127 7.235 121.722 2.140 5 U 1881.24 0.00E+00 m 0 0 0 0 0
128 7.235 121.725 1.810 5 U 1117.89 0.00E+00 m 0 0 0 0 0
129 7.235 121.724 1.517 5 U 506.27 0.00E+00 m 0 0 0 0 0
130 7.234 121.724 1.130 5 U 933.44 0.00E+00 m 0 0 0 0 0
131 8.344 121.644 4.200 5 U 517.33 0.00E+00 m 0 0 0 0 0
132 6.504 121.269 2.445 5 U 131.45 0.00E+00 m 0 0 0 0 0
133 6.504 121.256 3.171 5 U 432.60 0.00E+00 m 0 0 0 0 0
134 6.504 121.254 0.909 5 U 390.71 0.00E+00 m 0 0 0 0 0
135 6.504 121.252 1.275 5 U 480.69 0.00E+00 m 0 0 0 0 0
136 6.504 121.252 1.726 5 U 1553.64 0.00E+00 m 0 0 0 0 0
137 6.505 121.251 4.279 5 U 267.79 0.00E+00 m 0 0 0 0 0
138 6.504 121.248 2.172 5 U 280.94 0.00E+00 m 0 0 0 0 0
139 6.504 121.246 3.960 5 U 542.39 0.00E+00 m 0 0 0 0 0
140 6.504 121.228 7.240 5 U 244.08 0.00E+00 m 0 0 0 0 0
141 7.728 120.833 2.440 5 U 3380.85 0.00E+00 m 0 0 0 0 0
142 7.728 120.802 9.250 5 U 260.53 0.00E+00 m 0 0 0 0 0
143 7.727 120.760 3.802 5 U 630.31 0.00E+00 m 0 0 0 0 0
144 7.729 120.760 4.058 5 U 2491.52 0.00E+00 m 0 0 0 0 0
145 7.729 120.698 0.957 5 U 930.79 0.00E+00 m 0 0 0 0 0
146 8.299 120.649 4.380 5 U 2225.67 0.00E+00 m 0 0 0 0 0
147 8.299 120.632 3.079 5 U 1950.49 0.00E+00 m 0 0 0 0 0
148 8.299 120.583 4.551 5 U 2497.27 0.00E+00 m 0 0 0 0 0
149 7.729 120.546 1.701 5 U 2497.24 0.00E+00 m 0 0 0 0 0
150 7.728 120.505 8.512 5 U 1974.73 0.00E+00 m 0 0 0 0 0
151 8.135 120.445 4.511 5 U 1286.38 0.00E+00 m 0 0 0 0 0
152 8.135 120.445 4.055 5 U 631.40 0.00E+00 m 0 0 0 0 0
153 8.135 120.445 4.335 5 U 679.47 0.00E+00 m 0 0 0 0 0
154 8.277 120.428 4.029 5 U 1063.02 0.00E+00 m 0 0 0 0 0
155 8.277 120.391 2.544 5 U 969.86 0.00E+00 m 0 0 0 0 0
156 8.136 120.388 2.938 5 U 3175.38 0.00E+00 m 0 0 0 0 0
157 8.596 120.315 3.937 5 U 782.91 0.00E+00 m 0 0 0 0 0
158 8.595 120.310 7.859 5 U 1007.82 0.00E+00 m 0 0 0 0 0
159 8.596 120.304 4.729 5 U 2226.29 0.00E+00 m 0 0 0 0 0
160 8.597 120.299 2.628 5 U 1292.77 0.00E+00 m 0 0 0 0 0
161 7.752 120.287 3.647 5 U 317.19 0.00E+00 m 0 0 0 0 0
162 7.828 120.284 1.011 5 U 527.46 0.00E+00 m 0 0 0 0 0
163 7.828 120.284 2.082 5 U 1156.96 0.00E+00 m 0 0 0 0 0
164 7.828 120.283 1.780 5 U 4902.95 0.00E+00 m 0 0 0 0 0
165 7.828 120.281 1.402 5 U 684.57 0.00E+00 m 0 0 0 0 0
166 7.829 120.278 0.822 5 U 546.03 0.00E+00 m 0 0 0 0 0
167 8.137 120.276 6.969 5 U 643.92 0.00E+00 m 0 0 0 0 0
168 7.262 120.268 3.263 5 U 684.75 0.00E+00 m 0 0 0 0 0
169 7.261 120.265 4.052 5 U 1033.63 0.00E+00 m 0 0 0 0 0
170 7.262 120.259 2.257 5 U 1841.09 0.00E+00 m 0 0 0 0 0
171 8.138 120.258 0.666 5 U 1334.20 0.00E+00 m 0 0 0 0 0
172 9.234 120.171 2.848 5 U 106.62 0.00E+00 m 0 0 0 0 0
173 8.277 120.171 7.327 5 U 660.37 0.00E+00 m 0 0 0 0 0
174 8.418 120.126 4.800 5 U 430.62 0.00E+00 m 0 0 0 0 0
175 8.418 120.109 7.749 5 U 318.17 0.00E+00 m 0 0 0 0 0
176 8.417 120.106 7.358 5 U 440.26 0.00E+00 m 0 0 0 0 0
177 8.417 120.102 3.447 5 U 3459.92 0.00E+00 m 0 0 0 0 0
178 8.417 120.100 6.908 5 U 1034.89 0.00E+00 m 0 0 0 0 0
179 8.417 120.089 7.148 5 U 1143.95 0.00E+00 m 0 0 0 0 0
180 8.505 120.087 4.340 5 U 587.46 0.00E+00 m 0 0 0 0 0
181 8.505 120.084 9.250 5 U 147.38 0.00E+00 m 0 0 0 0 0
182 8.505 120.076 2.443 5 U 879.78 0.00E+00 m 0 0 0 0 0
183 8.505 120.076 7.725 5 U 2216.68 0.00E+00 m 0 0 0 0 0
184 8.505 120.074 1.198 5 U 368.49 0.00E+00 m 0 0 0 0 0
185 8.505 120.072 1.952 5 U 2235.41 0.00E+00 m 0 0 0 0 0
186 8.505 120.071 7.152 5 U 225.63 0.00E+00 m 0 0 0 0 0
187 8.505 120.068 1.626 5 U 1673.56 0.00E+00 m 0 0 0 0 0
188 8.278 120.063 8.844 5 U 224.82 0.00E+00 m 0 0 0 0 0
189 8.821 120.048 7.848 5 U 156.09 0.00E+00 m 0 0 0 0 0
190 8.628 120.042 2.856 5 U 602.91 0.00E+00 m 0 0 0 0 0
191 8.821 120.040 4.663 5 U 566.85 0.00E+00 m 0 0 0 0 0
192 8.630 120.037 4.414 5 U 832.13 0.00E+00 m 0 0 0 0 0
193 8.820 120.035 4.211 5 U 395.66 0.00E+00 m 0 0 0 0 0
194 8.629 120.026 1.349 5 U 113.59 0.00E+00 m 0 0 0 0 0
195 8.820 120.021 3.117 5 U 1096.02 0.00E+00 m 0 0 0 0 0
196 7.941 120.021 1.816 5 U 695.60 0.00E+00 m 0 0 0 0 0
197 8.820 120.021 7.404 5 U 945.81 0.00E+00 m 0 0 0 0 0
198 8.820 120.016 3.743 5 U 280.87 0.00E+00 m 0 0 0 0 0
199 8.820 120.010 6.225 5 U 483.86 0.00E+00 m 0 0 0 0 0
200 8.279 120.001 2.217 5 U 1943.70 0.00E+00 m 0 0 0 0 0
201 7.730 119.977 1.523 5 U 3687.62 0.00E+00 m 0 0 0 0 0
202 7.942 119.974 4.224 5 U 1209.85 0.00E+00 m 0 0 0 0 0
203 8.278 119.965 1.950 5 U 2361.13 0.00E+00 m 0 0 0 0 0
204 7.940 119.937 2.116 5 U 2988.84 0.00E+00 m 0 0 0 0 0
205 7.940 119.927 3.744 5 U 746.45 0.00E+00 m 0 0 0 0 0
206 7.940 119.897 6.217 5 U 118.26 0.00E+00 m 0 0 0 0 0
207 8.383 119.844 2.528 5 U 212.66 0.00E+00 m 0 0 0 0 0
208 8.382 119.838 3.010 5 U 1080.31 0.00E+00 m 0 0 0 0 0
209 8.383 119.832 1.790 5 U 1236.72 0.00E+00 m 0 0 0 0 0
210 8.382 119.813 1.580 5 U 728.46 0.00E+00 m 0 0 0 0 0
211 8.101 119.809 3.710 5 U 304.02 0.00E+00 m 0 0 0 0 0
212 8.102 119.805 2.093 5 U 3339.20 0.00E+00 m 0 0 0 0 0
213 8.102 119.799 1.909 5 U 2113.46 0.00E+00 m 0 0 0 0 0
214 8.101 119.798 1.385 5 U 809.17 0.00E+00 m 0 0 0 0 0
215 8.101 119.790 0.998 5 U 879.69 0.00E+00 m 0 0 0 0 0
216 8.101 119.788 3.930 5 U 1245.69 0.00E+00 m 0 0 0 0 0
217 8.101 119.785 3.421 5 U 585.18 0.00E+00 m 0 0 0 0 0
218 8.018 119.686 2.237 5 U 257.66 0.00E+00 m 0 0 0 0 0
219 8.019 119.668 6.889 5 U 376.32 0.00E+00 m 0 0 0 0 0
220 8.019 119.668 -0.489 5 U 165.76 0.00E+00 m 0 0 0 0 0
221 8.019 119.668 0.391 5 U 206.83 0.00E+00 m 0 0 0 0 0
222 8.019 119.664 1.954 5 U 1086.96 0.00E+00 m 0 0 0 0 0
223 8.019 119.664 4.531 5 U 353.45 0.00E+00 m 0 0 0 0 0
224 8.019 119.662 3.085 5 U 917.19 0.00E+00 m 0 0 0 0 0
225 8.019 119.644 8.260 5 U 1171.88 0.00E+00 m 0 0 0 0 0
226 7.409 119.269 2.117 5 U 1079.35 0.00E+00 m 0 0 0 0 0
227 7.408 119.257 1.614 5 U 1228.95 0.00E+00 m 0 0 0 0 0
228 7.408 119.246 4.210 5 U 1341.56 0.00E+00 m 0 0 0 0 0
229 7.409 119.224 2.395 5 U 287.26 0.00E+00 m 0 0 0 0 0
230 8.155 119.168 7.757 5 U 704.56 0.00E+00 m 0 0 0 0 0
231 8.153 119.164 2.247 5 U 1186.84 0.00E+00 m 0 0 0 0 0
232 8.152 119.150 2.062 5 U 1207.56 0.00E+00 m 0 0 0 0 0
233 8.153 119.144 4.222 5 U 1593.54 0.00E+00 m 0 0 0 0 0
234 8.414 118.890 0.005 5 U 262.00 0.00E+00 m 0 0 0 0 0
235 8.413 118.890 8.121 5 U 3986.01 0.00E+00 m 0 0 0 0 0
236 8.414 118.885 2.211 5 U 1036.46 0.00E+00 m 0 0 0 0 0
237 8.414 118.882 1.431 5 U 977.28 0.00E+00 m 0 0 0 0 0
238 8.414 118.879 2.805 5 U 1227.06 0.00E+00 m 0 0 0 0 0
239 8.414 118.875 0.431 5 U 642.73 0.00E+00 m 0 0 0 0 0
240 8.414 118.871 3.791 5 U 224.77 0.00E+00 m 0 0 0 0 0
241 8.414 118.867 -0.489 5 U 219.03 0.00E+00 m 0 0 0 0 0
242 8.414 118.866 4.158 5 U 668.20 0.00E+00 m 0 0 0 0 0
243 8.414 118.864 4.361 5 U 294.36 0.00E+00 m 0 0 0 0 0
244 8.073 118.480 4.440 5 U 996.14 0.00E+00 m 0 0 0 0 0
245 8.073 118.478 2.822 5 U 1224.55 0.00E+00 m 0 0 0 0 0
246 8.073 118.476 8.390 5 U 1130.29 0.00E+00 m 0 0 0 0 0
247 7.388 118.443 8.014 5 U 1364.16 0.00E+00 m 0 0 0 0 0
248 7.388 118.433 2.833 5 U 794.74 0.00E+00 m 0 0 0 0 0
249 7.388 118.430 4.523 5 U 158.38 0.00E+00 m 0 0 0 0 0
250 7.388 118.429 3.913 5 U 451.18 0.00E+00 m 0 0 0 0 0
251 7.388 118.429 4.065 5 U 1254.04 0.00E+00 m 0 0 0 0 0
252 8.538 118.279 8.034 5 U 306.80 0.00E+00 m 0 0 0 0 0
253 8.002 118.249 2.837 5 U 628.20 0.00E+00 m 0 0 0 0 0
254 8.002 118.248 7.392 5 U 1146.66 0.00E+00 m 0 0 0 0 0
255 8.002 118.248 4.065 5 U 632.30 0.00E+00 m 0 0 0 0 0
256 8.002 118.238 3.923 5 U 2648.40 0.00E+00 m 0 0 0 0 0
257 8.539 118.234 8.286 5 U 966.37 0.00E+00 m 0 0 0 0 0
258 8.539 118.233 4.266 5 U 1128.64 0.00E+00 m 0 0 0 0 0
259 8.002 118.233 4.289 5 U 1969.04 0.00E+00 m 0 0 0 0 0
260 8.539 118.231 2.551 5 U 558.63 0.00E+00 m 0 0 0 0 0
261 8.539 118.229 3.270 5 U 144.69 0.00E+00 m 0 0 0 0 0
262 8.539 118.229 2.210 5 U 4055.39 0.00E+00 m 0 0 0 0 0
263 8.538 118.225 8.810 5 U 737.00 0.00E+00 m 0 0 0 0 0
264 7.134 118.031 1.176 5 U 108.77 0.00E+00 m 0 0 0 0 0
265 7.135 118.025 2.147 5 U 217.14 0.00E+00 m 0 0 0 0 0
266 7.136 118.025 4.205 5 U 582.18 0.00E+00 m 0 0 0 0 0
267 7.135 117.999 7.723 5 U 807.84 0.00E+00 m 0 0 0 0 0
268 8.925 117.980 7.352 5 U 546.81 0.00E+00 m 0 0 0 0 0
269 8.925 117.953 2.533 5 U 259.41 0.00E+00 m 0 0 0 0 0
270 8.924 117.953 3.440 5 U 717.21 0.00E+00 m 0 0 0 0 0
271 8.925 117.947 8.405 5 U 654.00 0.00E+00 m 0 0 0 0 0
272 8.924 117.946 1.768 5 U 2597.86 0.00E+00 m 0 0 0 0 0
273 8.924 117.946 1.200 5 U 675.05 0.00E+00 m 0 0 0 0 0
274 8.925 117.946 2.125 5 U 195.08 0.00E+00 m 0 0 0 0 0
275 8.924 117.945 3.179 5 U 844.06 0.00E+00 m 0 0 0 0 0
276 8.924 117.942 0.841 5 U 1017.89 0.00E+00 m 0 0 0 0 0
277 8.924 117.929 4.195 5 U 429.23 0.00E+00 m 0 0 0 0 0
278 8.633 117.660 7.822 5 U 618.16 0.00E+00 m 0 0 0 0 0
279 8.634 117.657 8.073 5 U 321.39 0.00E+00 m 0 0 0 0 0
280 8.634 117.655 7.475 5 U 598.98 0.00E+00 m 0 0 0 0 0
281 8.634 117.655 4.520 5 U 256.30 0.00E+00 m 0 0 0 0 0
282 8.634 117.655 3.705 5 U 192.03 0.00E+00 m 0 0 0 0 0
283 8.632 117.651 0.816 5 U 183.74 0.00E+00 m 0 0 0 0 0
284 8.634 117.650 4.180 5 U 1136.25 0.00E+00 m 0 0 0 0 0
285 7.959 117.385 7.273 5 U 1191.46 0.00E+00 m 0 0 0 0 0
286 8.082 117.384 1.586 5 U 354.74 0.00E+00 m 0 0 0 0 0
287 7.959 117.383 3.185 5 U 1960.31 0.00E+00 m 0 0 0 0 0
288 8.083 117.381 3.376 5 U 372.81 0.00E+00 m 0 0 0 0 0
289 7.959 117.380 2.689 5 U 403.78 0.00E+00 m 0 0 0 0 0
290 7.959 117.378 4.356 5 U 1120.92 0.00E+00 m 0 0 0 0 0
291 8.083 117.374 1.801 5 U 1176.51 0.00E+00 m 0 0 0 0 0
292 8.083 117.369 2.540 5 U 2148.06 0.00E+00 m 0 0 0 0 0
293 7.959 117.368 6.798 5 U 218.54 0.00E+00 m 0 0 0 0 0
294 7.958 117.366 6.505 5 U 125.00 0.00E+00 m 0 0 0 0 0
295 8.083 117.356 6.898 5 U 154.38 0.00E+00 m 0 0 0 0 0
296 8.081 117.346 8.335 5 U 1799.40 0.00E+00 m 0 0 0 0 0
297 7.539 117.305 4.409 5 U 465.06 0.00E+00 m 0 0 0 0 0
298 7.539 117.305 2.341 5 U 1020.31 0.00E+00 m 0 0 0 0 0
299 7.957 117.297 2.103 5 U 160.62 0.00E+00 m 0 0 0 0 0
300 7.843 117.132 7.408 5 U 736.01 0.00E+00 m 0 0 0 0 0
301 7.844 117.131 3.750 5 U 196.06 0.00E+00 m 0 0 0 0 0
302 7.844 117.125 2.399 5 U 751.61 0.00E+00 m 0 0 0 0 0
303 7.844 117.123 4.132 5 U 810.62 0.00E+00 m 0 0 0 0 0
304 7.844 117.109 4.456 5 U 205.92 0.00E+00 m 0 0 0 0 0
305 8.060 116.851 4.230 5 U 2928.97 0.00E+00 m 0 0 0 0 0
306 7.152 116.650 0.818 5 U 215.85 0.00E+00 m 0 0 0 0 0
307 7.152 116.647 8.671 5 U 100.28 0.00E+00 m 0 0 0 0 0
308 7.152 116.643 1.127 5 U 293.58 0.00E+00 m 0 0 0 0 0
309 8.349 116.346 4.225 5 U 1015.28 0.00E+00 m 0 0 0 0 0
310 8.349 116.345 2.129 5 U 112.38 0.00E+00 m 0 0 0 0 0
311 8.349 116.340 1.362 5 U 496.61 0.00E+00 m 0 0 0 0 0
312 8.349 116.334 3.816 5 U 603.23 0.00E+00 m 0 0 0 0 0
313 7.359 115.907 1.782 5 U 640.66 0.00E+00 m 0 0 0 0 0
314 7.359 115.905 3.173 5 U 230.65 0.00E+00 m 0 0 0 0 0
315 7.359 115.903 1.200 5 U 323.72 0.00E+00 m 0 0 0 0 0
316 7.359 115.899 2.911 5 U 127.99 0.00E+00 m 0 0 0 0 0
317 7.769 115.899 2.083 5 U 248.83 0.00E+00 m 0 0 0 0 0
318 7.359 115.898 4.187 5 U 759.88 0.00E+00 m 0 0 0 0 0
319 7.769 115.898 3.305 5 U 551.06 0.00E+00 m 0 0 0 0 0
320 7.359 115.897 0.843 5 U 184.91 0.00E+00 m 0 0 0 0 0
321 7.359 115.897 2.632 5 U 1957.01 0.00E+00 m 0 0 0 0 0
322 7.359 115.891 3.420 5 U 174.31 0.00E+00 m 0 0 0 0 0
323 7.769 115.875 2.263 5 U 171.75 0.00E+00 m 0 0 0 0 0
324 8.830 115.697 3.235 5 U 364.19 0.00E+00 m 0 0 0 0 0
325 8.829 115.696 3.089 5 U 547.85 0.00E+00 m 0 0 0 0 0
326 8.828 115.686 4.233 5 U 2440.96 0.00E+00 m 0 0 0 0 0
327 8.827 115.682 4.035 5 U 491.27 0.00E+00 m 0 0 0 0 0
328 8.827 115.674 8.040 5 U 723.68 0.00E+00 m 0 0 0 0 0
329 7.553 115.230 6.979 5 U 4936.82 0.00E+00 m 0 0 0 0 0
330 7.855 115.176 6.920 5 U 230.75 0.00E+00 m 0 0 0 0 0
331 7.856 115.160 2.632 5 U 558.57 0.00E+00 m 0 0 0 0 0
332 7.856 115.158 2.961 5 U 751.73 0.00E+00 m 0 0 0 0 0
333 7.856 115.154 4.715 5 U 747.75 0.00E+00 m 0 0 0 0 0
334 7.856 115.153 3.931 5 U 340.77 0.00E+00 m 0 0 0 0 0
335 7.957 115.129 8.609 5 U 106.14 0.00E+00 m 0 0 0 0 0
336 7.957 115.058 3.950 5 U 862.49 0.00E+00 m 0 0 0 0 0
337 7.957 115.057 3.091 5 U 317.11 0.00E+00 m 0 0 0 0 0
338 7.957 115.050 4.219 5 U 573.82 0.00E+00 m 0 0 0 0 0
339 8.662 114.699 6.506 5 U 530.78 0.00E+00 m 0 0 0 0 0
340 8.661 114.694 2.399 5 U 216.07 0.00E+00 m 0 0 0 0 0
341 8.661 114.692 2.140 5 U 783.20 0.00E+00 m 0 0 0 0 0
342 8.662 114.692 7.252 5 U 993.44 0.00E+00 m 0 0 0 0 0
343 8.661 114.691 1.945 5 U 743.76 0.00E+00 m 0 0 0 0 0
344 8.661 114.691 3.175 5 U 1230.79 0.00E+00 m 0 0 0 0 0
345 8.662 114.691 1.733 5 U 266.80 0.00E+00 m 0 0 0 0 0
346 8.661 114.689 4.281 5 U 787.32 0.00E+00 m 0 0 0 0 0
347 8.661 114.684 3.927 5 U 244.04 0.00E+00 m 0 0 0 0 0
348 8.661 114.683 6.904 5 U 110.60 0.00E+00 m 0 0 0 0 0
349 7.193 114.564 2.962 5 U 269.66 0.00E+00 m 0 0 0 0 0
350 7.194 114.550 4.214 5 U 897.85 0.00E+00 m 0 0 0 0 0
351 7.194 114.550 1.911 5 U 1466.77 0.00E+00 m 0 0 0 0 0
352 7.194 114.545 1.619 5 U 1371.25 0.00E+00 m 0 0 0 0 0
353 7.193 114.545 6.265 5 U 115.30 0.00E+00 m 0 0 0 0 0
354 7.194 114.536 -1.225 5 U 801.13 0.00E+00 m 0 0 0 0 0
355 8.416 114.272 0.994 5 U 176.24 0.00E+00 m 0 0 0 0 0
356 8.416 114.263 4.270 5 U 1125.63 0.00E+00 m 0 0 0 0 0
357 8.416 114.263 3.920 5 U 480.70 0.00E+00 m 0 0 0 0 0
358 8.416 114.262 3.769 5 U 693.01 0.00E+00 m 0 0 0 0 0
359 8.416 114.262 8.070 5 U 1032.29 0.00E+00 m 0 0 0 0 0
360 8.416 114.258 2.983 5 U 813.44 0.00E+00 m 0 0 0 0 0
361 8.415 114.258 1.783 5 U 153.64 0.00E+00 m 0 0 0 0 0
362 8.416 114.257 8.631 5 U 817.15 0.00E+00 m 0 0 0 0 0
363 8.415 114.256 2.718 5 U 496.87 0.00E+00 m 0 0 0 0 0
364 7.527 113.847 -1.225 5 U 115.82 0.00E+00 m 0 0 0 0 0
365 7.528 113.801 1.553 5 U 899.94 0.00E+00 m 0 0 0 0 0
366 7.528 113.797 0.816 5 U 270.06 0.00E+00 m 0 0 0 0 0
367 7.528 113.794 7.154 5 U 1472.92 0.00E+00 m 0 0 0 0 0
368 7.528 113.789 4.415 5 U 528.18 0.00E+00 m 0 0 0 0 0
369 7.528 113.788 3.010 5 U 865.88 0.00E+00 m 0 0 0 0 0
370 6.969 113.423 2.632 5 U 172.71 0.00E+00 m 0 0 0 0 0
371 7.628 113.373 6.961 5 U 10139.65 0.00E+00 m 0 0 0 0 0
372 7.629 113.348 2.631 5 U 580.91 0.00E+00 m 0 0 0 0 0
373 9.256 113.240 1.344 5 U 1293.13 0.00E+00 m 0 0 0 0 0
374 9.256 113.240 8.506 5 U 273.47 0.00E+00 m 0 0 0 0 0
375 9.257 113.237 4.413 5 U 666.33 0.00E+00 m 0 0 0 0 0
376 9.256 113.234 1.787 5 U 861.14 0.00E+00 m 0 0 0 0 0
377 9.256 113.233 2.444 5 U 1314.41 0.00E+00 m 0 0 0 0 0
378 9.257 113.233 0.952 5 U 208.38 0.00E+00 m 0 0 0 0 0
379 9.256 113.231 1.560 5 U 321.24 0.00E+00 m 0 0 0 0 0
380 9.256 113.230 2.014 5 U 539.72 0.00E+00 m 0 0 0 0 0
381 9.256 113.224 4.722 5 U 371.05 0.00E+00 m 0 0 0 0 0
382 9.256 113.221 7.731 5 U 218.86 0.00E+00 m 0 0 0 0 0
383 7.805 113.176 7.096 5 U 5164.70 0.00E+00 m 0 0 0 0 0
384 7.095 113.166 2.843 5 U 361.71 0.00E+00 m 0 0 0 0 0
385 8.021 113.164 7.548 5 U 2028.14 0.00E+00 m 0 0 0 0 0
386 8.021 113.158 2.635 5 U 1596.94 0.00E+00 m 0 0 0 0 0
387 8.021 113.157 1.714 5 U 563.97 0.00E+00 m 0 0 0 0 0
388 8.021 113.156 2.062 5 U 438.91 0.00E+00 m 0 0 0 0 0
389 7.806 113.145 2.846 5 U 773.21 0.00E+00 m 0 0 0 0 0
390 7.589 113.101 6.876 5 U 8016.54 0.00E+00 m 0 0 0 0 0
391 8.020 113.063 6.966 5 U 303.07 0.00E+00 m 0 0 0 0 0
392 6.967 112.861 4.291 5 U 109.03 0.00E+00 m 0 0 0 0 0
393 7.856 112.847 6.962 5 U 7269.13 0.00E+00 m 0 0 0 0 0
394 7.856 112.828 4.292 5 U 114.57 0.00E+00 m 0 0 0 0 0
395 7.856 112.826 2.855 5 U 837.55 0.00E+00 m 0 0 0 0 0
396 7.856 112.823 4.512 5 U 343.42 0.00E+00 m 0 0 0 0 0
397 6.967 112.806 4.518 5 U 165.34 0.00E+00 m 0 0 0 0 0
398 7.857 112.804 2.280 5 U 128.06 0.00E+00 m 0 0 0 0 0
399 6.934 111.601 7.570 5 U 9218.39 0.00E+00 m 0 0 0 0 0
400 6.935 111.584 2.547 5 U 489.31 0.00E+00 m 0 0 0 0 0
401 7.576 111.542 2.546 5 U 667.79 0.00E+00 m 0 0 0 0 0
402 6.895 111.337 7.714 5 U 4365.77 0.00E+00 m 0 0 0 0 0
403 6.896 111.325 3.381 5 U 277.48 0.00E+00 m 0 0 0 0 0
404 6.893 111.320 2.779 5 U 250.47 0.00E+00 m 0 0 0 0 0
405 7.717 111.309 2.783 5 U 508.16 0.00E+00 m 0 0 0 0 0
406 7.717 111.303 5.350 5 U 119.21 0.00E+00 m 0 0 0 0 0
407 7.718 111.296 3.381 5 U 427.41 0.00E+00 m 0 0 0 0 0
408 8.027 108.693 2.840 5 U 199.00 0.00E+00 m 0 0 0 0 0
409 8.027 108.693 7.743 5 U 712.13 0.00E+00 m 0 0 0 0 0
410 8.027 108.690 3.801 5 U 1853.99 0.00E+00 m 0 0 0 0 0
411 8.028 108.689 4.276 5 U 206.66 0.00E+00 m 0 0 0 0 0
412 8.026 108.688 7.388 5 U 955.04 0.00E+00 m 0 0 0 0 0
413 8.026 108.680 4.513 5 U 306.13 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 HN . . 10403 Hz . . . 4.82 . . 34459 1
2 . . N 15 N . folded 2595 Hz . . . 118.2 . . 34459 1
3 . . H 1 H . . 10403 Hz . . . 4.82 . . 34459 1
stop_
save_