Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 30786
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_Spectral_peak_list.Sample_condition_list_ID 3
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_3
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 26
_Spectral_peak_list.Experiment_name '3D CN_simNOESY'
_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
#FORMAT xeasy3D
#INAME 1 H
#INAME 2 N
#INAME 3 HN
#SPECTRUM N15NOESY H N HN
1 8.150 124.275 8.148 1 U 7.19e+06 0 e 0 2088 2097 2088
2 9.236 118.895 9.237 1 U 7.11e+06 0 e 0 2102 2110 2102
3 8.832 122.239 8.831 1 U 1.05e+07 0 e 0 2115 2119 2115
4 9.311 127.547 9.311 1 U 9.43e+06 0 e 0 2126 2132 2126
5 7.701 119.844 7.699 1 U 2.51e+07 0 e 0 2248 2258 2248
6 8.640 118.747 8.638 1 U 1.7e+07 0 e 0 2263 2270 2263
# S210H-S210N-S210H/I216H-I216N-I216H(QU=0.571)
7 8.331 126.037 8.333 1 U 7.14e+06 0 e 0 2355 2363 2355
8 8.281 124.633 8.276 1 U 1.39e+07 0 e 0 2368 2374 2368
9 8.139 115.380 8.137 1 U 1.54e+07 0 e 0 2219 2226 2219
10 8.105 130.952 8.104 1 U 5.49e+07 0 e 0 2378 2380 2378
11 9.114 115.022 9.111 1 U 7.32e+06 0 e 0 2337 2341 2337
12 8.737 122.090 8.736 1 U 9.81e+06 0 e 0 2285 2293 2285
# D39H-D39N-D39H/R217H-R217N-R217H(QU=0.668)
13 8.899 125.263 8.898 1 U 3.04e+06 0 e 0 2142 2149 2142
14 9.120 125.989 9.123 1 U 7.16e+06 0 e 0 2315 2323 2315
15 7.169 115.016 9.112 1 U 7.04e+05 0 e 0 0 0 0
16 9.309 125.271 8.899 1 U 4.65e+05 0 e 0 2126 2149 2142
17 9.313 122.116 8.735 1 U 8.93e+05 0 e 0 2126 2293 2285
18 9.314 118.771 8.634 1 U 6.09e+05 0 e 0 2126 2270 2263
19 9.278 122.234 8.832 1 U 6.87e+05 0 e 0 2102 2119 2115
20 9.240 124.632 8.276 1 U 4.85e+05 0 e 0 2102 2374 2368
21 9.117 122.110 8.736 1 U 5.41e+05 0 e 0 2315 2293 2285
22 9.109 126.040 8.332 1 U 5.88e+05 0 e 0 2337 2363 2355
# I70H-R220N-R220H/T219H-R220N-R220H(QU=0.732)
23 8.999 122.081 8.742 1 U 3.44e+05 0 e 0 1522 2293 2285
24 8.986 118.824 8.629 1 U 9.54e+05 0 e 0 1522 2270 2263
25 8.843 118.861 9.237 1 U 3.77e+05 0 e 0 2115 2110 2102
26 8.756 127.552 9.312 1 U 9.63e+05 0 e 0 2285 2132 2126
27 8.727 126.000 9.120 1 U 3.82e+05 0 e 0 2285 2323 2315
28 8.658 125.247 8.900 1 U 4.31e+05 0 e 0 2156 2149 2142
29 8.631 119.992 7.705 1 U 9.05e+05 0 e 0 2263 2258 2248
30 8.325 115.022 9.110 1 U 3.05e+05 0 e 0 2355 2341 2337
31 8.162 128.758 10.170 1 U 4.15e+05 0 e 0 2088 2098 2093
32 8.165 115.930 8.166 1 U 1.47e+07 0 e 0 0 0 0
# S19H-S19N-S19H/T204H-T204N-T204H(QU=0.593)
33 8.140 119.985 7.704 1 U 4.61e+06 0 e 0 2219 2258 2248
34 7.705 118.843 8.629 1 U 6.47e+05 0 e 0 2248 2270 2263
35 7.706 115.380 8.137 1 U 4.15e+06 0 e 0 2248 2226 2219
36 7.553 116.251 7.261 1 U 3.83e+05 0 e 0 0 0 0
37 7.407 128.762 10.169 1 U 2.03e+06 0 e 0 2095 2098 2093
38 7.193 119.994 7.704 1 U 3.69e+05 0 e 0 1597 2258 2248
39 7.190 118.828 8.626 1 U 3.33e+05 0 e 0 1597 2270 2263
40 7.191 115.346 8.132 1 U 3.39e+05 0 e 0 1597 2226 2219
41 7.160 128.758 10.169 1 U 4e+06 0 e 0 2092 2098 2093
42 7.154 126.029 8.333 1 U 4.81e+05 0 e 0 0 0 0
43 7.165 124.280 8.147 1 U 1.01e+06 0 e 0 2096 2097 2088
44 7.168 118.898 9.237 1 U 7.49e+05 0 e 0 2096 2110 2102
45 7.028 118.874 8.628 1 U 3.63e+05 0 e 0 1598 2270 2263
46 6.713 126.053 8.333 1 U 5.3e+05 0 e 0 2096 2363 2355
47 5.565 119.986 7.704 1 U 1.53e+06 0 e 0 2249 2258 2248
48 5.564 118.859 8.626 1 U 4.9e+06 0 e 0 2249 2270 2263
49 5.549 127.549 9.312 1 U 7.32e+05 0 e 0 2316 2132 2126
50 5.556 125.989 9.122 1 U 6.61e+05 0 e 0 2316 2323 2315
51 5.545 118.888 9.237 1 U 4.36e+05 0 e 0 2316 2110 2102
52 5.556 115.020 9.111 1 U 3.36e+06 0 e 0 2316 2341 2337
53 5.429 126.037 8.333 1 U 3.24e+06 0 e 0 2338 2363 2355
54 5.245 125.995 9.123 1 U 2.74e+06 0 e 0 2286 2323 2315
55 5.249 122.114 8.736 1 U 9.18e+05 0 e 0 2286 2293 2285
56 5.215 119.968 7.703 1 U 4.29e+05 0 e 0 1552 2258 2248
57 5.103 115.372 8.136 1 U 7.04e+05 0 e 0 2183 2226 2219
58 4.973 124.648 8.276 1 U 9.31e+05 0 e 0 0 0 0
59 4.973 124.261 8.146 1 U 7.04e+05 0 e 0 2089 2097 2088
60 4.975 118.894 9.237 1 U 2.79e+06 0 e 0 2089 2110 2102
61 4.963 114.917 9.114 1 U 4.58e+05 0 e 0 0 0 0
62 4.866 122.092 8.736 1 U 3.62e+06 0 e 0 2264 2293 2285
63 4.829 125.991 9.122 1 U 9.14e+05 0 e 0 1493 2323 2315
64 4.824 119.990 7.704 1 U 1.09e+06 0 e 0 0 0 0
65 4.843 117.376 8.608 1 U 3.24e+05 0 e 0 0 0 0
66 4.800 128.777 10.171 1 U 7.13e+05 0 e 0 0 0 0
67 4.807 119.629 8.297 1 U 5.99e+06 0 e 0 0 0 0
68 4.821 118.665 8.645 1 U 6.77e+06 0 e 0 2157 2160 2156
69 4.805 117.570 8.486 1 U 3.5e+05 0 e 0 0 0 0
70 4.804 115.918 8.166 1 U 1.81e+06 0 e 0 0 0 0
71 4.820 115.400 8.141 1 U 5.36e+05 0 e 0 0 0 0
72 4.784 125.263 8.899 1 U 6.39e+06 0 e 0 2127 2149 2142
73 4.795 124.649 8.278 1 U 6.86e+05 0 e 0 0 0 0
74 4.758 126.052 8.329 1 U 6.01e+05 0 e 0 0 0 0
75 4.746 122.240 8.831 1 U 4.35e+06 0 e 0 2103 2119 2115
76 4.753 118.904 9.238 1 U 1.02e+06 0 e 0 2103 2110 2102
77 4.643 127.546 9.310 1 U 4.62e+06 0 e 0 2116 2132 2126
78 4.651 115.017 9.110 1 U 5.99e+05 0 e 0 2116 2341 2337
79 4.414 125.267 8.898 1 U 8.97e+05 0 e 0 2143 2149 2142
80 4.437 124.272 8.147 1 U 3.17e+06 0 e 0 2078 2097 2088
81 4.414 122.123 8.736 1 U 3.68e+05 0 e 0 0 0 0
82 4.398 119.982 7.703 1 U 2.09e+06 0 e 0 2220 2258 2248
83 4.412 118.656 8.646 1 U 5.59e+06 0 e 0 2143 2160 2156
84 4.401 115.384 8.137 1 U 2.79e+06 0 e 0 2220 2226 2219
85 4.362 116.904 8.405 1 U 4.72e+05 0 e 0 0 0 0
86 4.369 115.930 8.166 1 U 5.46e+06 0 e 0 0 0 0
# S19HA-S19N-S19H/L203HA-T204N-T204H(QU=0.454)
87 4.343 116.917 7.631 1 U 3.44e+05 0 e 0 0 0 0
88 4.332 116.910 7.372 1 U 3.29e+05 0 e 0 0 0 0
89 4.346 116.726 8.350 1 U 4.83e+05 0 e 0 0 0 0
90 4.331 116.467 8.263 1 U 4.72e+05 0 e 0 0 0 0
91 4.304 116.977 8.654 1 U 4.57e+05 0 e 0 0 0 0
92 4.325 116.922 8.313 1 U 5.42e+05 0 e 0 0 0 0
93 4.313 116.789 8.241 1 U 6.16e+05 0 e 0 0 0 0
94 4.279 130.950 8.104 1 U 9.77e+06 0 e 0 2369 2380 2378
95 4.190 117.495 8.268 1 U 3.13e+05 0 e 0 0 0 0
96 4.177 117.470 8.182 1 U 3.38e+05 0 e 0 0 0 0
97 4.190 117.511 8.106 1 U 3.1e+05 0 e 0 0 0 0
98 4.167 117.508 7.882 1 U 4.86e+05 0 e 0 0 0 0
99 4.180 117.469 7.655 1 U 3.03e+05 0 e 0 0 0 0
100 4.187 117.450 8.420 1 U 3.09e+05 0 e 0 0 0 0
101 4.184 117.447 8.047 1 U 3.37e+05 0 e 0 0 0 0
102 4.180 117.399 7.981 1 U 3.12e+05 0 e 0 0 0 0
103 4.154 118.670 8.647 1 U 9.43e+05 0 e 0 2158 2160 2156
104 4.164 117.531 7.945 1 U 4.09e+05 0 e 0 0 0 0
105 4.148 117.520 7.770 1 U 6.44e+05 0 e 0 0 0 0
106 4.152 117.515 7.705 1 U 6.06e+05 0 e 0 0 0 0
107 4.161 117.486 7.803 1 U 3.51e+05 0 e 0 0 0 0
108 4.120 124.631 8.276 1 U 3.99e+06 0 e 0 2356 2374 2368
109 4.115 118.896 9.236 1 U 7.75e+05 0 e 0 0 0 0
110 4.109 126.039 8.333 1 U 1.74e+06 0 e 0 2356 2363 2355
# T219HB-R220N-R220H/R220HA-R220N-R220H(QU=0.739)
111 4.102 115.023 9.111 1 U 7.18e+05 0 e 0 2339 2341 2337
112 4.071 130.955 8.104 1 U 3.28e+06 0 e 0 2379 2380 2378
113 4.058 124.259 8.146 1 U 1.2e+06 0 e 0 2079 2097 2088
114 4.064 115.921 8.163 1 U 2.15e+06 0 e 0 2079 2080 2077
115 4.052 128.750 10.171 1 U 9.03e+05 0 e 0 963 2098 2093
116 3.978 115.387 8.137 1 U 1.47e+06 0 e 0 2210 2226 2219
117 3.962 119.985 7.703 1 U 9.06e+05 0 e 0 0 0 0
118 3.970 117.644 7.739 1 U 3.13e+05 0 e 0 0 0 0
119 3.936 118.660 8.644 1 U 1.14e+06 0 e 0 2159 2160 2156
120 3.944 117.673 7.279 1 U 3.04e+05 0 e 0 0 0 0
121 3.769 117.360 7.350 1 U 5.79e+05 0 e 0 0 0 0
122 3.243 128.766 10.170 1 U 8.8e+05 0 e 0 962 2098 2093
123 3.216 125.247 8.899 1 U 3.42e+05 0 e 0 2146 2149 2142
# R209HD2-R209N-R209H/R209HD3-R209N-R209H(QU=0.806)
124 3.213 118.666 8.647 1 U 4.37e+05 0 e 0 0 0 0
# R209HD2-S210N-S210H/R209HD3-S210N-S210H(QU=0.834)
125 3.186 122.191 8.832 1 U 3.72e+05 0 e 0 2107 2119 2115
126 3.188 118.885 9.239 1 U 4.49e+05 0 e 0 0 0 0
# R206HD2-R206N-R206H/R206HD3-R206N-R206H(QU=0.727)
127 3.152 122.082 8.734 1 U 3.84e+05 0 e 0 2290 2293 2285
128 3.022 115.366 8.136 1 U 6e+05 0 e 0 0 0 0
129 2.971 128.738 10.169 1 U 4.48e+05 0 e 0 0 0 0
130 2.970 124.282 8.148 1 U 1.68e+06 0 e 0 2091 2097 2088
131 2.969 118.898 9.238 1 U 1.47e+06 0 e 0 0 0 0
# W205HB2-R206N-R206H/W205HB3-R206N-R206H(QU=0.670)
132 2.928 126.056 8.334 1 U 4.7e+05 0 e 0 0 0 0
133 2.844 115.384 8.139 1 U 3.37e+05 0 e 0 2185 2226 2219
134 2.530 126.032 8.335 1 U 4.01e+05 0 e 0 2359 2363 2355
135 2.390 115.363 8.136 1 U 6.07e+05 0 e 0 0 0 0
# E75HG2-L214N-L214H/P213HB3-L214N-L214H(QU=0.607)
136 2.328 127.543 9.311 1 U 1.38e+06 0 e 0 2131 2132 2126
137 2.332 125.253 8.898 1 U 5.73e+05 0 e 0 0 0 0
# Q208HG2-R209N-R209H/Q208HG3-R209N-R209H(QU=0.733)
138 2.157 128.723 10.168 1 U 4.93e+05 0 e 0 0 0 0
139 2.145 126.062 8.333 1 U 4.78e+05 0 e 0 0 0 0
# E69HG2-R220N-R220H/R220HD3-R220N-R220H(QU=0.229)
140 2.146 124.252 8.148 1 U 3.87e+05 0 e 0 2360 2097 2088
141 2.128 127.567 9.311 1 U 1.65e+06 0 e 0 0 0 0
# V207HB-Q208N-Q208H/Q208HB2-Q208N-Q208H(QU=0.884)
142 2.125 124.627 8.276 1 U 1.89e+06 0 e 0 2373 2374 2368
143 2.116 122.238 8.831 1 U 2.85e+06 0 e 0 2117 2119 2115
144 2.132 118.878 9.237 1 U 4.95e+05 0 e 0 2117 2110 2102
145 1.996 130.942 8.103 1 U 2.12e+06 0 e 0 2370 2380 2378
146 2.000 118.661 8.645 1 U 2.21e+06 0 e 0 2144 2160 2156
147 1.963 125.272 8.899 1 U 1.25e+06 0 e 0 2144 2149 2142
# Q208HB3-R209N-R209H/R209HB2-R209N-R209H(QU=0.810)
148 1.961 119.974 7.704 1 U 1.57e+06 0 e 0 0 0 0
# L214HB2-K215N-K215H/L214HB3-K215N-K215H(QU=0.734)
149 1.961 115.376 8.137 1 U 4.97e+06 0 e 0 2221 2226 2219
150 1.937 127.543 9.310 1 U 1.62e+06 0 e 0 2129 2132 2126
151 1.816 122.240 8.831 1 U 2.48e+06 0 e 0 2104 2119 2115
152 1.812 125.265 8.899 1 U 1.69e+06 0 e 0 2145 2149 2142
153 1.791 124.634 8.277 1 U 2.21e+06 0 e 0 2371 2374 2368
154 1.813 118.896 9.237 1 U 1.61e+06 0 e 0 0 0 0
# R206HB2-R206N-R206H/R206HB3-R206N-R206H(QU=0.811)
155 1.809 118.743 8.638 1 U 2.59e+06 0 e 0 0 0 0
# R209HB3-S210N-S210H/I216HB-I216N-I216H(QU=0.597)
156 1.814 115.925 8.164 1 U 3.68e+05 0 e 0 0 0 0
157 1.787 130.945 8.104 1 U 1.49e+06 0 e 0 2371 2380 2378
158 1.781 122.110 8.736 1 U 2.84e+06 0 e 0 0 0 0
159 1.776 119.993 7.705 1 U 2.11e+06 0 e 0 2250 2258 2248
160 1.784 115.024 9.111 1 U 5.3e+05 0 e 0 0 0 0
161 1.732 127.562 9.312 1 U 7.97e+05 0 e 0 2288 2132 2126
162 1.728 125.978 9.123 1 U 1.43e+06 0 e 0 1465 2323 2315
# I70HB-L218N-L218H/R217HB3-L218N-L218H(QU=0.217)
163 1.619 128.754 10.168 1 U 4.81e+05 0 e 0 0 0 0
164 1.575 122.244 8.830 1 U 7.68e+05 0 e 0 0 0 0
165 1.575 119.988 7.704 1 U 3.11e+06 0 e 0 2251 2258 2248
166 1.596 118.906 9.237 1 U 1.1e+06 0 e 0 2109 2110 2102
167 1.582 118.787 8.632 1 U 1.5e+06 0 e 0 2251 2270 2263
168 1.578 115.957 8.167 1 U 1.07e+06 0 e 0 2068 2080 2077
169 1.588 115.375 8.137 1 U 2.77e+06 0 e 0 2225 2226 2219
170 1.561 124.634 8.280 1 U 3.35e+05 0 e 0 0 0 0
171 1.535 127.537 9.308 1 U 6.23e+05 0 e 0 2322 2132 2126
172 1.532 125.984 9.123 1 U 2.72e+06 0 e 0 2322 2323 2315
# L218HB2-L218N-L218H/L218HG-L218N-L218H(QU=0.669)
173 1.541 115.024 9.110 1 U 1.77e+06 0 e 0 0 0 0
# L218HB2-T219N-T219H/L218HB3-T219N-T219H(QU=0.798)
174 1.357 115.920 8.165 1 U 9.06e+05 0 e 0 2069 2080 2077
175 1.269 130.952 8.104 1 U 6.91e+06 0 e 0 3074 2380 2378
176 1.257 122.119 8.737 1 U 5.1e+05 0 e 0 2267 2293 2285
177 1.242 118.869 8.626 1 U 2.21e+06 0 e 0 2267 2270 2263
178 1.244 115.430 8.139 1 U 3.37e+05 0 e 0 2257 2226 2219
179 1.234 119.998 7.704 1 U 1.23e+06 0 e 0 2257 2258 2248
180 1.199 127.547 9.309 1 U 3.24e+05 0 e 0 0 0 0
# T204QG2-Q208N-Q208H/T219QG2-Q208N-Q208H(QU=0.649)
181 1.187 124.266 8.147 1 U 1.33e+06 0 e 0 2081 2097 2088
182 1.198 115.940 8.168 1 U 1.24e+06 0 e 0 2081 2080 2077
183 1.183 126.045 8.334 1 U 9.74e+05 0 e 0 2342 2363 2355
184 1.182 115.014 9.111 1 U 1.33e+06 0 e 0 2342 2341 2337
185 1.028 124.635 8.275 1 U 4.92e+05 0 e 0 2357 2374 2368
186 1.019 126.037 8.334 1 U 9.43e+05 0 e 0 2357 2363 2355
187 0.996 118.894 9.237 1 U 7.12e+05 0 e 0 946 2110 2102
# L48QD1-R206N-R206H/V207QG1-R206N-R206H(QU=0.702)
188 0.980 122.238 8.831 1 U 4.82e+06 0 e 0 2120 2119 2115
189 0.974 115.019 9.110 1 U 5.12e+05 0 e 0 0 0 0
# V207QG1-T219N-T219H/V207QG2-T219N-T219H(QU=0.557)
190 0.965 127.549 9.311 1 U 3.59e+06 0 e 0 2121 2132 2126
191 0.958 125.985 9.124 1 U 3.75e+05 0 e 0 2121 2323 2315
192 0.915 119.999 7.702 1 U 1.15e+06 0 e 0 2228 2258 2248
193 0.929 118.788 8.632 1 U 2.88e+06 0 e 0 2272 2270 2263
194 0.884 115.377 8.137 1 U 1.47e+06 0 e 0 2228 2226 2219
195 0.822 128.796 10.170 1 U 6.31e+05 0 e 0 0 0 0
196 0.788 130.923 8.103 1 U 8.52e+05 0 e 0 0 0 0
197 0.827 115.947 8.167 1 U 8.48e+05 0 e 0 2073 2080 2077
198 0.711 126.010 9.123 1 U 9.1e+05 0 e 0 1474 2323 2315
199 0.643 127.544 9.310 1 U 7.03e+05 0 e 0 0 0 0
200 0.641 115.010 9.110 1 U 8.52e+05 0 e 0 2325 2341 2337
201 0.637 122.228 8.831 1 U 3.23e+05 0 e 0 2325 2119 2115
202 0.632 118.884 9.238 1 U 3.16e+05 0 e 0 2325 2110 2102
203 0.590 119.973 7.703 1 U 5.68e+05 0 e 0 2227 2258 2248
204 0.591 115.373 8.136 1 U 1.31e+06 0 e 0 2227 2226 2219
205 0.557 125.985 9.123 1 U 8.16e+05 0 e 0 2324 2323 2315
206 0.522 128.749 10.171 1 U 8.12e+05 0 e 0 0 0 0
207 0.463 126.042 8.333 1 U 1.39e+06 0 e 0 0 0 0
# R220HB3-R220N-R220H/R220HG3-R220N-R220H(QU=0.531)
208 0.468 124.637 8.277 1 U 1.15e+06 0 e 0 0 0 0
# R220HB3-E221N-E221H/R220HG3-E221N-E221H(QU=0.674)
209 0.037 118.884 8.622 1 U 3.4e+05 0 e 0 1531 2270 2263
210 1.669 125.268 8.903 1 U 6.95e+05 0 e 0 2147 2149 2142
211 7.002 115.493 7.001 1 U 4.24e+06 0 e 0 0 0 0
212 4.798 115.498 7.002 1 U 4.48e+06 0 e 0 0 0 0
213 2.514 115.482 7.002 1 U 8.53e+05 0 e 0 0 0 0
214 2.159 115.509 7.001 1 U 6.55e+05 0 e 0 0 0 0
215 1.020 115.488 7.002 1 U 4.32e+05 0 e 0 0 0 0
216 0.469 115.504 7.001 1 U 8.49e+05 0 e 0 0 0 0
217 2.885 119.978 7.705 1 U 7.31e+05 0 e 0 2255 2258 2248
218 8.248 115.480 7.004 1 U 3.33e+05 0 e 0 0 0 0
219 10.171 128.758 10.169 1 U 1.71e+07 0 e 0 2093 2098 2093
220 -0.342 128.779 10.172 1 U 5.2e+05 0 e 0 1058 2098 2093
221 0.473 124.216 8.153 1 U 1.37e+05 0 e 0 0 0 0
222 1.176 118.901 9.235 1 U 5.04e+05 0 e 0 2342 2110 2102
223 0.630 126.037 8.329 1 U 5.5e+05 0 e 0 2361 2363 2355
224 9.222 124.265 8.148 1 U 2.84e+05 0 e 0 2102 2097 2088
225 10.151 124.347 8.146 1 U 2.26e+05 0 e 0 2093 2097 2088
226 6.922 128.702 10.172 1 U 2.62e+05 0 e 0 0 0 0
227 4.181 119.654 8.297 1 U 7.17e+05 0 e 0 2158 2186 2182
228 2.972 119.627 8.297 1 U 1.11e+06 0 e 0 2184 2186 2182
229 2.820 119.628 8.297 1 U 1.09e+06 0 e 0 2185 2186 2182
230 2.083 119.636 8.296 1 U 3.08e+05 0 e 0 0 0 0
231 3.966 119.719 8.296 1 U 6.03e+05 0 e 0 2159 2186 2182
232 5.085 119.615 8.296 1 U 8.61e+05 0 e 0 2183 2186 2182
233 8.302 119.623 8.297 1 U 1.81e+06 0 e 0 2182 2186 2182
234 3.163 125.979 9.123 1 U 2.79e+05 0 e 0 0 0 0
235 2.123 126.017 9.119 1 U 3.69e+05 0 e 0 2117 2323 2315
236 1.970 125.971 9.123 1 U 3.69e+05 0 e 0 0 0 0
237 1.201 125.949 9.125 1 U 2.7e+05 0 e 0 0 0 0
238 5.568 115.439 8.137 1 U 2.56e+05 0 e 0 2249 2226 2219
239 9.307 115.354 8.141 1 U 2.48e+05 0 e 0 1585 2226 2219
240 5.537 122.061 8.736 1 U 2.23e+05 0 e 0 2316 2293 2285
241 0.576 122.107 8.740 1 U 2.19e+05 0 e 0 0 0 0
242 8.118 118.892 9.238 1 U 4.25e+05 0 e 0 0 0 0
243 4.430 128.762 10.169 1 U 2.75e+05 0 e 0 0 0 0
244 2.494 128.804 10.175 1 U 2.7e+05 0 e 0 0 0 0
245 4.279 124.652 8.277 1 U 1.93e+06 0 e 0 2369 2374 2368
246 2.937 124.641 8.277 1 U 2.38e+05 0 e 0 0 0 0
247 2.512 124.625 8.281 1 U 2.35e+05 0 e 0 0 0 0
248 8.658 119.633 8.293 1 U 2.89e+05 0 e 0 2156 2186 2182
249 1.578 119.632 8.296 1 U 2.21e+05 0 e 0 0 0 0
250 2.437 119.729 8.300 1 U 2.14e+05 0 e 0 0 0 0
251 7.136 124.592 8.278 1 U 2.32e+05 0 e 0 0 0 0
252 7.001 122.041 8.744 1 U 1.71e+05 0 e 0 0 0 0
253 6.729 118.872 9.243 1 U 1.41e+05 0 e 0 0 0 0
254 7.485 126.034 8.328 1 U 1.52e+05 0 e 0 1438 2363 2355
255 2.965 119.986 7.703 1 U 8.88e+05 0 e 0 0 0 0
256 0.952 125.246 8.897 1 U 5.14e+05 0 e 0 0 0 0
257 0.939 122.096 8.737 1 U 2.63e+06 0 e 0 0 0 0
258 2.118 122.116 8.738 1 U 5.88e+05 0 e 0 0 0 0
259 2.326 122.144 8.737 1 U 2.83e+05 0 e 0 0 0 0
260 0.996 124.271 8.147 1 U 4.15e+05 0 e 0 0 0 0
261 1.008 124.228 8.095 1 U 1.65e+05 0 e 0 0 0 0
262 8.298 118.882 9.238 1 U 4.5e+05 0 e 0 0 0 0
263 4.610 125.965 9.120 1 U 2.13e+05 0 e 0 2116 2323 2315
264 8.263 118.778 8.645 1 U 2.29e+05 0 e 0 0 0 0
265 9.329 120.016 7.704 1 U 2.8e+05 0 e 0 0 0 0
266 2.202 119.628 8.302 1 U 2.37e+05 0 e 0 0 0 0
267 1.196 124.633 8.276 1 U 5.84e+05 0 e 0 0 0 0
268 5.442 124.592 8.274 1 U 3.36e+05 0 e 0 0 0 0
269 2.974 115.042 9.112 1 U 2.87e+05 0 e 0 0 0 0
270 2.329 114.989 9.111 1 U 2.14e+05 0 e 0 0 0 0
271 2.117 114.988 9.109 1 U 2.98e+05 0 e 0 0 0 0
272 6.735 128.731 10.164 1 U 1.16e+05 0 e 0 0 0 0
273 2.377 119.998 7.704 1 U 3.18e+05 0 e 0 0 0 0
274 5.228 118.850 8.627 1 U 1.25e+06 0 e 0 0 0 0
275 0.565 118.862 8.624 1 U 3.58e+05 0 e 0 0 0 0
276 5.417 115.017 9.115 1 U 8.58e+05 0 e 0 2338 2341 2337
277 1.708 122.081 8.737 1 U 2.79e+06 0 e 0 2288 2293 2285
278 4.839 118.884 8.628 1 U 2.97e+06 0 e 0 2264 2270 2263
279 2.447 112.831 6.909 1 U 3.77e+05 0 e 0 2177 3086 2175
280 2.447 112.872 7.616 1 U 4.74e+05 0 e 0 2177 3086 2176
281 1.180 112.926 6.974 1 U 6.22e+05 0 e 0 0 0 0
282 1.184 112.926 7.543 1 U 7.57e+05 0 e 0 0 0 0
283 2.110 112.984 6.977 1 U 2.42e+05 0 e 0 0 0 0
284 2.328 112.909 7.544 1 U 3.9e+06 0 e 0 2130 3085 3084
285 2.328 112.919 6.974 1 U 2.01e+06 0 e 0 2130 3085 3083
286 3.174 113.025 6.974 1 U 6.02e+05 0 e 0 0 0 0
287 3.181 112.934 7.543 1 U 6.22e+05 0 e 0 0 0 0
288 2.098 112.895 7.540 1 U 3.14e+05 0 e 0 0 0 0
289 1.802 112.929 7.544 1 U 4e+05 0 e 0 0 0 0
290 1.798 112.907 6.978 1 U 3.56e+05 0 e 0 0 0 0
291 4.126 112.882 7.546 1 U 3.77e+05 0 e 0 0 0 0
292 6.910 112.846 7.616 1 U 1.76e+07 0 e 0 2175 3086 2176
293 7.617 112.847 7.616 1 U 2.71e+07 0 e 0 2176 3086 2176
294 6.910 112.843 6.909 1 U 8.13e+07 0 e 0 2175 3086 2175
295 7.613 112.843 6.909 1 U 1.67e+07 0 e 0 2176 3086 2175
296 1.666 125.271 8.906 1 U 6.95e+05 0 e 0 2148 2149 2142
297 6.972 112.913 7.544 1 U 2.73e+07 0 e 0 3083 3085 3084
298 6.975 112.919 6.974 1 U 5.31e+07 0 e 0 3083 3085 3083
299 7.543 112.920 6.975 1 U 2.72e+07 0 e 0 3084 3085 3083
300 7.537 112.914 7.539 1 U 3.95e+07 0 e 0 3084 3085 3084
301 4.594 112.816 6.909 1 U 6.41e+05 0 e 0 0 0 0
302 4.743 127.546 9.315 1 U 1.95e+06 0 e 0 2127 2132 2126
303 4.623 122.240 8.831 1 U 1.23e+06 0 e 0 2116 2119 2115
304 0.775 115.957 8.165 1 U 8.94e+05 0 e 0 3082 2080 2077
305 7.774 119.645 8.298 1 U 3.07e+05 0 e 0 0 0 0
306 7.125 119.646 8.296 1 U 2e+05 0 e 0 0 0 0
307 5.086 113.759 7.799 1 U 3.65e+05 0 e 0 2183 3089 3088
308 5.078 113.736 7.502 1 U 3.42e+05 0 e 0 2183 3089 3087
309 1.231 113.691 7.797 1 U 2.03e+05 0 e 0 0 0 0
310 1.234 113.656 7.492 1 U 1.96e+05 0 e 0 0 0 0
311 1.602 113.727 7.798 1 U 6.29e+05 0 e 0 0 0 0
312 1.781 113.748 7.497 1 U 1.83e+05 0 e 0 0 0 0
313 1.598 113.750 7.497 1 U 6.93e+05 0 e 0 0 0 0
314 1.955 113.712 7.497 1 U 2.32e+05 0 e 0 0 0 0
315 2.847 113.729 7.800 1 U 1.23e+06 0 e 0 2185 3089 3088
316 2.850 113.733 7.498 1 U 1.19e+06 0 e 0 2185 3089 3087
317 7.497 113.720 7.498 1 U 5.85e+06 0 e 0 3087 3089 3087
318 7.800 113.732 7.498 1 U 4.22e+06 0 e 0 3088 3089 3087
319 7.800 113.725 7.799 1 U 3.67e+06 0 e 0 3088 3089 3088
320 7.498 113.731 7.799 1 U 4.7e+06 0 e 0 3087 3089 3088
321 2.985 113.722 7.495 1 U 8.12e+05 0 e 0 2184 3089 3087
322 2.985 113.722 7.802 1 U 8.52e+05 0 e 0 2184 3089 3088
;
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 3 . 11160.7 Hz . . . 4.849 . . 30786 5
2 . . C 13 C-aliphatic 1 folded 14085.28 Hz . . . 54.76 . . 30786 5
3 . . H 1 H 2 . 11202.7 Hz . . . 4.849 . . 30786 5
stop_
save_