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 31112
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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 'Mixing time is 150msec'
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 2
#Number of peaks 787
1 4.634 8.173 4 U 3.579351E+07 0.00E+00 e 0 0 0
2 4.388 7.996 1 U 2.091934E+07 0.00E+00 e 0 426 437
3 4.665 8.325 4 U 1.933291E+07 0.00E+00 e 0 0 0
4 4.301 8.471 4 U 3.738930E+07 0.00E+00 e 0 0 0
5 4.697 8.213 4 U 4.544526E+07 0.00E+00 e 0 0 0
6 4.475 8.138 4 U 1.659456E+07 0.00E+00 e 0 0 0
7 4.527 7.901 4 U 1.820591E+07 0.00E+00 e 0 0 0
8 4.527 7.952 4 U 8.982626E+06 0.00E+00 e 0 0 0
9 4.271 8.136 4 U 1.031511E+08 0.00E+00 e 0 0 0
10 4.356 8.110 4 U 4.903930E+07 0.00E+00 e 0 0 0
11 4.183 8.145 4 U 8.408170E+07 0.00E+00 e 0 0 0
12 4.248 8.244 4 U 2.350691E+07 0.00E+00 e 0 0 0
13 4.313 8.244 4 U 7.187730E+07 0.00E+00 e 0 0 0
14 4.284 8.368 4 U 5.758194E+07 0.00E+00 e 0 0 0
15 4.710 8.299 4 U 5.123365E+07 0.00E+00 e 0 0 0
16 4.378 8.288 4 U 7.923748E+07 0.00E+00 e 0 0 0
17 4.222 8.132 4 U 5.518046E+07 0.00E+00 e 0 0 0
18 4.375 8.184 4 U 4.824825E+07 0.00E+00 e 0 0 0
19 4.220 8.196 4 U 7.197502E+07 0.00E+00 e 0 0 0
20 4.173 8.067 4 U 7.501482E+07 0.00E+00 e 0 0 0
21 4.252 8.121 4 U 7.026116E+07 0.00E+00 e 0 0 0
22 1.180 8.381 1 U 7.623538E+06 0.00E+00 e 0 306 310
23 4.189 8.164 4 U 6.030334E+07 0.00E+00 e 0 0 0
24 3.888 7.972 4 U 2.918982E+07 0.00E+00 e 0 0 0
25 3.924 7.971 4 U 3.205474E+07 0.00E+00 e 0 0 0
26 4.101 7.856 4 U 1.792101E+07 0.00E+00 e 0 0 0
27 3.896 7.857 4 U 1.192580E+07 0.00E+00 e 0 0 0
28 3.935 7.857 4 U 1.456773E+07 0.00E+00 e 0 0 0
29 3.798 7.987 4 U 9.491988E+06 0.00E+00 e 0 0 0
30 4.156 7.889 4 U 2.634926E+07 0.00E+00 e 0 0 0
31 4.244 7.783 4 U 1.424153E+07 0.00E+00 e 0 0 0
32 4.050 7.952 4 U 2.211323E+07 0.00E+00 e 0 0 0
33 4.277 8.084 4 U 6.778391E+07 0.00E+00 e 0 0 0
34 4.259 8.078 4 U 9.990111E+07 0.00E+00 e 0 0 0
35 4.381 8.379 4 U 2.957243E+07 0.00E+00 e 0 0 0
36 4.256 8.380 4 U 2.765837E+07 0.00E+00 e 0 0 0
37 4.020 7.942 4 U 2.327419E+07 0.00E+00 e 0 0 0
38 3.980 7.941 4 U 2.385452E+07 0.00E+00 e 0 0 0
39 4.219 8.453 1 U 5.946587E+07 0.00E+00 e 0 289 296
40 3.373 8.170 4 U 4.182521E+06 0.00E+00 e 0 0 0
41 3.184 8.168 4 U 7.748577E+06 0.00E+00 e 0 0 0
42 4.297 8.158 4 U 6.770935E+07 0.00E+00 e 0 0 0
43 4.247 8.145 1 U 5.666425E+07 0.00E+00 e 0 99 97
44 3.041 8.380 1 U 1.855394E+07 0.00E+00 e 0 313 310
45 3.158 7.968 1 U 6.157136E+07 0.00E+00 e 0 225 223
46 3.132 7.968 1 U 4.895134E+07 0.00E+00 e 0 226 223
47 4.474 7.971 1 U 3.375701E+07 0.00E+00 e 0 224 223
48 4.526 8.380 1 U 1.613881E+07 0.00E+00 e 0 311 310
49 3.937 7.953 1 U 2.124076E+07 0.00E+00 e 0 343 341
50 3.897 7.953 1 U 1.750889E+07 0.00E+00 e 0 344 341
51 3.999 8.297 1 U 2.972613E+07 0.00E+00 e 0 127 125
52 3.919 8.298 1 U 2.927336E+07 0.00E+00 e 0 128 125
53 4.019 8.454 1 U 3.290923E+07 0.00E+00 e 0 297 296
54 3.979 8.452 1 U 3.561456E+07 0.00E+00 e 0 298 296
55 3.921 8.163 1 U 5.259119E+07 0.00E+00 e 0 218 217
56 3.886 8.165 1 U 5.699362E+07 0.00E+00 e 0 219 217
57 3.798 7.902 1 U 1.466938E+07 0.00E+00 e 0 323 322
58 3.306 8.484 1 U 4.674356E+06 0.00E+00 e 0 21 19
59 3.223 8.483 1 U 3.447612E+06 0.00E+00 e 0 22 19
60 3.372 8.125 1 U 4.860612E+06 0.00E+00 e 0 399 397
61 3.184 8.126 1 U 1.746602E+07 0.00E+00 e 0 400 397
62 4.635 8.124 1 U 2.431234E+07 0.00E+00 e 0 398 397
63 4.659 8.484 1 U 2.886488E+07 0.00E+00 e 0 20 19
64 4.377 8.297 1 U 8.095072E+07 0.00E+00 e 0 126 125
65 4.709 8.369 1 U 1.836693E+07 0.00E+00 e 0 119 118
66 2.921 8.369 1 U 2.171174E+07 0.00E+00 e 0 120 118
67 2.867 8.368 1 U 2.550511E+07 0.00E+00 e 0 121 118
68 4.050 7.986 1 U 1.434826E+07 0.00E+00 e 0 334 333
69 4.166 7.782 1 U 1.324341E+07 0.00E+00 e 0 276 275
70 4.695 8.469 1 U 5.863520E+07 0.00E+00 e 0 41 40
71 2.954 8.470 1 U 6.198042E+06 0.00E+00 e 0 42 40
72 2.822 8.469 1 U 5.062672E+06 0.00E+00 e 0 43 40
73 4.103 8.137 1 U 2.033054E+07 0.00E+00 e 0 237 236
74 3.215 8.219 1 U 2.323234E+06 0.00E+00 e 0 71 62
75 4.267 8.221 1 U 2.627323E+07 0.00E+00 e 0 63 62
76 2.735 8.346 1 U -5.252971E+06 0.00E+00 e 0 6 3
77 4.659 8.347 1 U 6.965484E+07 0.00E+00 e 0 4 3
78 2.810 8.346 1 U -2.136408E+05 0.00E+00 e 0 5 3
79 2.845 8.441 1 U 6.033343E+06 0.00E+00 e 0 16 13
80 4.672 8.442 1 U -7.379589E+07 0.00E+00 e 0 14 13
81 4.294 8.212 1 U 6.383990E+07 0.00E+00 e 0 51 50
82 4.299 8.325 1 U 2.211879E+07 0.00E+00 e 0 30 29
83 4.159 7.964 1 U 4.515902E+07 0.00E+00 e 0 352 351
84 4.374 8.139 1 U 5.549650E+07 0.00E+00 e 0 148 147
85 2.659 8.135 1 U 7.729145E+06 0.00E+00 e 0 150 147
86 2.567 8.134 1 U 1.005851E+07 0.00E+00 e 0 151 147
87 4.191 8.080 1 U 6.755258E+07 0.00E+00 e 0 213 212
88 4.277 8.126 1 U 8.537266E+07 0.00E+00 e 0 195 194
89 4.182 8.112 1 U 3.537160E+07 0.00E+00 e 0 87 86
90 4.283 8.243 1 U 3.524580E+07 0.00E+00 e 0 108 107
91 4.223 8.289 1 U 4.034334E+07 0.00E+00 e 0 136 135
92 4.172 8.196 1 U 4.379716E+07 0.00E+00 e 0 172 171
93 3.103 8.380 1 U 1.862646E+07 0.00E+00 e 0 312 310
94 2.344 8.326 1 U 4.118858E+06 0.00E+00 e 0 37 29
95 2.417 8.184 1 U 1.407330E+07 0.00E+00 e 0 161 157
96 2.363 8.184 1 U 9.250265E+06 0.00E+00 e 0 162 157
97 2.445 8.137 1 U 8.696854E+06 0.00E+00 e 0 80 75
98 4.358 8.135 1 U 5.611362E+07 0.00E+00 e 0 76 75
99 2.493 7.981 1 U 1.301208E+07 0.00E+00 e 0 392 388
100 2.436 7.983 1 U 1.071126E+07 0.00E+00 e 0 393 388
101 4.218 8.185 1 U 6.657046E+07 0.00E+00 e 0 158 157
102 4.296 8.172 1 U 9.463662E+07 0.00E+00 e 0 410 409
103 4.257 8.068 1 U 6.998607E+07 0.00E+00 e 0 185 184
104 4.313 8.144 1 U 4.491332E+07 0.00E+00 e 0 98 97
105 4.381 7.942 1 U 2.447155E+07 0.00E+00 e 0 304 303
106 4.255 7.942 1 U 3.256859E+07 0.00E+00 e 0 305 303
107 4.160 7.856 1 U 5.270925E+07 0.00E+00 e 0 250 249
108 4.243 7.888 1 U 2.271377E+07 0.00E+00 e 0 263 262
109 4.250 7.982 1 U 4.141286E+07 0.00E+00 e 0 389 388
110 4.177 8.048 1 U 5.573045E+07 0.00E+00 e 0 378 377
111 4.325 7.995 1 U 1.038129E+07 0.00E+00 e 0 438 437
112 4.389 8.159 1 U 2.614965E+07 0.00E+00 e 0 426 425
113 4.168 7.855 1 U 4.853651E+07 0.00E+00 e 0 365 364
114 4.257 8.084 1 U 9.439687E+07 0.00E+00 e 0 204 203
115 4.261 7.951 1 U 3.804007E+07 0.00E+00 e 0 342 341
116 4.261 7.855 4 U 2.572374E+07 0.00E+00 e 0 0 0
117 4.474 7.889 4 U 5.472168E+06 0.00E+00 e 0 0 0
118 4.472 7.860 4 U 3.739146E+06 0.00E+00 e 0 0 0
119 4.529 7.856 4 U 3.317533E+06 0.00E+00 e 0 0 0
120 4.160 8.049 4 U 3.976268E+07 0.00E+00 e 0 0 0
121 4.050 8.049 4 U 4.394056E+06 0.00E+00 e 0 0 0
122 4.049 7.856 4 U 4.524116E+06 0.00E+00 e 0 0 0
123 3.796 7.856 4 U 9.331681E+06 0.00E+00 e 0 0 0
124 3.796 7.954 4 U 4.842906E+06 0.00E+00 e 0 0 0
125 4.182 8.299 4 U 3.382171E+06 0.00E+00 e 0 0 0
126 4.711 8.138 4 U 4.298613E+06 0.00E+00 e 0 0 0
127 4.709 8.185 4 U 3.157601E+06 0.00E+00 e 0 0 0
128 4.183 8.370 4 U 4.223182E+06 0.00E+00 e 0 0 0
129 4.182 8.244 4 U 4.738093E+06 0.00E+00 e 0 0 0
130 4.375 8.071 4 U 1.258373E+07 0.00E+00 e 0 0 0
131 4.376 8.084 4 U 8.689448E+06 0.00E+00 e 0 0 0
132 3.999 8.138 4 U 5.799237E+06 0.00E+00 e 0 0 0
133 3.920 8.137 4 U 1.319877E+07 0.00E+00 e 0 0 0
134 2.416 7.452 1 U 6.283820E+06 0.00E+00 e 0 161 159
135 2.366 7.452 1 U 6.746014E+06 0.00E+00 e 0 162 159
136 2.825 8.213 4 U 4.216792E+06 0.00E+00 e 0 0 0
137 2.958 8.215 4 U 3.195402E+06 0.00E+00 e 0 0 0
138 2.869 8.300 4 U 1.369277E+07 0.00E+00 e 0 0 0
139 2.921 8.300 4 U 1.015395E+07 0.00E+00 e 0 0 0
140 2.998 7.533 1 U 3.251415E+07 0.00E+00 e 0 415 418
141 3.184 7.341 1 U 1.329613E+07 0.00E+00 e 0 400 401
142 3.373 7.341 1 U 6.805859E+06 0.00E+00 e 0 399 401
143 3.102 7.904 4 U 6.650356E+06 0.00E+00 e 0 0 0
144 3.040 7.905 4 U 9.604518E+06 0.00E+00 e 0 0 0
145 3.043 7.096 1 U 3.449590E+07 0.00E+00 e 0 313 315
146 3.101 7.095 1 U 2.809402E+07 0.00E+00 e 0 312 315
147 3.795 7.096 1 U 4.200440E+06 0.00E+00 e 0 323 315
148 3.160 7.200 1 U 3.909536E+07 0.00E+00 e 0 225 229
149 3.131 7.201 1 U 3.086230E+07 0.00E+00 e 0 226 229
150 3.132 7.276 1 U 8.879136E+06 0.00E+00 e 0 226 230
151 3.161 7.275 1 U 1.044554E+07 0.00E+00 e 0 225 230
152 4.529 7.091 1 U 4.061365E+07 0.00E+00 e 0 311 315
153 4.528 6.807 1 U 5.978006E+06 0.00E+00 e 0 311 316
154 3.101 6.806 4 U 5.608378E+06 0.00E+00 e 0 0 0
155 3.043 6.805 4 U 5.731107E+06 0.00E+00 e 0 0 0
156 4.636 7.341 4 U 8.479347E+06 0.00E+00 e 0 0 0
157 4.102 7.783 4 U 3.305254E+06 0.00E+00 e 0 0 0
158 4.167 7.341 1 U 1.146712E+07 0.00E+00 e 0 352 401
159 4.167 7.096 1 U 3.609208E+06 0.00E+00 e 0 352 315
160 4.473 7.202 1 U 2.708938E+07 0.00E+00 e 0 224 229
161 4.259 7.203 1 U 9.242442E+06 0.00E+00 e 0 204 229
162 4.101 7.203 1 U 4.413039E+06 0.00E+00 e 0 237 229
163 4.475 7.276 4 U 6.741204E+06 0.00E+00 e 0 0 0
164 4.257 7.278 4 U 4.763059E+06 0.00E+00 e 0 0 0
165 4.257 7.092 4 U 5.643770E+06 0.00E+00 e 0 0 0
166 6.908 7.579 1 U 5.234814E+08 0.00E+00 e 0 8 7
167 6.843 7.488 1 U 3.579852E+08 0.00E+00 e 0 34 33
168 6.831 7.454 1 U 4.482232E+08 0.00E+00 e 0 160 159
169 6.802 7.092 1 U 4.306478E+08 0.00E+00 e 0 316 315
170 7.094 6.806 1 U 4.302082E+08 0.00E+00 e 0 315 316
171 7.487 6.843 4 U 3.515343E+08 0.00E+00 e 0 0 0
172 7.454 6.831 4 U 4.455183E+08 0.00E+00 e 0 0 0
173 7.579 6.908 4 U 5.038179E+08 0.00E+00 e 0 0 0
174 7.234 7.274 1 U 4.579133E+08 0.00E+00 e 0 227 230
175 7.204 7.276 1 U 5.626810E+08 0.00E+00 e 0 229 230
176 7.278 7.236 1 U 4.690317E+08 0.00E+00 e 0 230 227
177 7.280 7.204 1 U 6.457519E+08 0.00E+00 e 0 230 229
178 7.202 7.971 4 U 1.157784E+07 0.00E+00 e 0 0 0
179 8.164 7.971 1 U 7.220126E+07 0.00E+00 e 0 217 223
180 7.202 8.138 4 U 7.817692E+06 0.00E+00 e 0 0 0
181 7.857 8.138 1 U 2.941440E+07 0.00E+00 e 0 249 236
182 8.137 7.856 4 U 3.174611E+07 0.00E+00 e 0 0 0
183 7.787 7.890 1 U 2.367200E+07 0.00E+00 e 0 275 262
184 7.787 7.854 1 U 3.110005E+07 0.00E+00 e 0 275 249
185 8.077 7.782 4 U 9.042998E+06 0.00E+00 e 0 0 0
186 7.891 7.786 4 U 2.346285E+07 0.00E+00 e 0 0 0
187 7.941 8.454 1 U 2.010896E+07 0.00E+00 e 0 303 296
188 7.941 8.381 1 U 1.300038E+07 0.00E+00 e 0 303 310
189 7.904 8.381 1 U 1.299172E+07 0.00E+00 e 0 322 310
190 8.213 8.467 1 U 1.537054E+07 0.00E+00 e 0 50 40
191 8.472 8.213 4 U 1.705394E+07 0.00E+00 e 0 0 0
192 8.452 7.939 4 U 2.519494E+07 0.00E+00 e 0 0 0
193 8.380 7.939 4 U 1.717690E+07 0.00E+00 e 0 0 0
194 8.380 7.905 4 U 1.343184E+07 0.00E+00 e 0 0 0
195 8.474 8.327 1 U 1.916162E+07 0.00E+00 e 0 40 29
196 8.328 8.469 1 U 1.421798E+07 0.00E+00 e 0 29 40
197 8.080 8.454 1 U 7.094123E+06 0.00E+00 e 0 288 296
198 7.783 8.078 1 U 6.619786E+06 0.00E+00 e 0 275 288
199 4.220 8.078 1 U 3.007166E+07 0.00E+00 e 0 289 288
200 4.168 8.078 4 U 6.299084E+07 0.00E+00 e 0 0 0
201 8.137 8.292 1 U 5.427024E+07 0.00E+00 e 0 147 135
202 8.138 8.368 1 U 8.331356E+06 0.00E+00 e 0 147 118
203 4.219 8.379 4 U 4.978486E+06 0.00E+00 e 0 0 0
204 7.906 7.986 1 U 4.681554E+07 0.00E+00 e 0 322 333
205 8.291 8.135 1 U 5.768880E+07 0.00E+00 e 0 135 147
206 8.195 8.073 1 U 6.495973E+07 0.00E+00 e 0 171 184
207 8.133 7.972 4 U 7.405686E+07 0.00E+00 e 0 0 0
208 8.074 8.126 1 U 1.965224E+08 0.00E+00 e 0 184 194
209 7.998 8.162 4 U 3.770566E+07 0.00E+00 e 0 0 0
210 7.973 8.137 1 U 6.249600E+07 0.00E+00 e 0 223 236
211 7.972 8.165 1 U 6.418218E+07 0.00E+00 e 0 223 217
212 8.075 8.195 1 U 5.953581E+07 0.00E+00 e 0 184 171
213 8.247 8.369 1 U 3.113263E+07 0.00E+00 e 0 107 118
214 8.299 8.368 4 U 4.430633E+07 0.00E+00 e 0 0 0
215 8.299 8.368 1 U 4.430633E+07 0.00E+00 e 0 125 118
216 8.371 8.298 4 U 5.298738E+07 0.00E+00 e 0 0 0
217 8.371 8.298 4 U 5.298738E+07 0.00E+00 e 0 0 0
218 8.370 8.245 4 U 3.596990E+07 0.00E+00 e 0 0 0
219 8.370 8.245 4 U 3.596990E+07 0.00E+00 e 0 0 0
220 8.189 8.290 1 U 2.314012E+07 0.00E+00 e 0 157 135
221 8.132 8.084 1 U 2.303022E+08 0.00E+00 e 0 194 203
222 8.158 7.995 1 U 4.037218E+07 0.00E+00 e 0 425 437
223 8.147 8.242 1 U 4.289324E+07 0.00E+00 e 0 97 107
224 8.244 8.146 4 U 4.909824E+07 0.00E+00 e 0 0 0
225 8.170 8.124 1 U 2.059338E+08 0.00E+00 e 0 409 397
226 7.978 8.120 1 U 4.084469E+07 0.00E+00 e 0 388 397
227 8.051 7.971 4 U 9.981475E+07 0.00E+00 e 0 0 0
228 8.078 7.970 1 U 4.973764E+07 0.00E+00 e 0 212 223
229 4.178 7.982 4 U 4.942656E+07 0.00E+00 e 0 0 0
230 4.170 8.124 4 U 2.621476E+07 0.00E+00 e 0 0 0
231 4.170 8.173 4 U 2.482154E+07 0.00E+00 e 0 0 0
232 4.183 8.123 4 U 3.045167E+07 0.00E+00 e 0 0 0
233 4.179 8.172 4 U 3.359274E+07 0.00E+00 e 0 0 0
234 4.265 7.980 4 U 3.248367E+07 0.00E+00 e 0 0 0
235 4.156 7.853 4 U 4.866877E+07 0.00E+00 e 0 0 0
236 4.262 7.965 4 U 4.452406E+07 0.00E+00 e 0 342 0
237 7.857 7.965 1 U 8.671172E+07 0.00E+00 e 0 364 351
238 7.965 7.856 4 U 9.139046E+07 0.00E+00 e 0 0 0
239 7.968 8.049 1 U 9.087900E+07 0.00E+00 e 0 351 377
240 7.860 8.048 1 U 1.079009E+07 0.00E+00 e 0 364 377
241 8.051 7.855 1 U 1.322597E+07 0.00E+00 e 0 377 364
242 8.286 8.085 4 U 9.551011E+06 0.00E+00 e 0 0 0
243 4.050 7.965 4 U 2.380916E+07 0.00E+00 e 0 0 0
244 3.797 7.966 4 U 8.137446E+06 0.00E+00 e 0 0 0
245 7.966 7.784 4 U 1.002590E+07 0.00E+00 e 0 0 0
246 3.921 7.889 4 U 3.299838E+06 0.00E+00 e 0 0 0
247 3.889 7.888 4 U 3.196030E+06 0.00E+00 e 0 0 0
248 3.920 7.856 4 U 1.030196E+07 0.00E+00 e 0 0 0
249 3.887 7.857 4 U 1.027886E+07 0.00E+00 e 0 0 0
250 4.159 7.782 4 U 1.227426E+07 0.00E+00 e 0 0 0
251 8.297 8.245 1 U 5.329955E+07 0.00E+00 e 0 125 107
252 8.293 8.187 1 U 2.688469E+07 0.00E+00 e 0 135 157
253 4.673 8.484 4 U 5.013392E+07 0.00E+00 e 0 0 0
254 4.658 8.442 4 U -4.992004E+06 0.00E+00 e 0 0 0
255 4.257 4.380 1 U 1.710844E+07 0.00E+00 e 0 305 304
256 4.380 4.255 4 U 2.099953E+07 0.00E+00 e 0 0 0
257 3.998 4.380 4 U 1.346623E+07 0.00E+00 e 0 0 0
258 3.918 4.382 4 U 9.631486E+06 0.00E+00 e 0 0 0
259 3.938 4.262 4 U 2.623436E+07 0.00E+00 e 0 0 0
260 3.899 4.263 4 U 1.863073E+07 0.00E+00 e 0 0 0
261 4.251 4.305 4 U 8.660653E+07 0.00E+00 e 0 0 0
262 4.313 4.249 4 U 6.516686E+07 0.00E+00 e 0 0 0
263 3.919 3.998 4 U 2.449425E+08 0.00E+00 e 0 0 0
264 4.000 3.921 4 U 2.885238E+08 0.00E+00 e 0 0 0
265 3.935 3.899 4 U 5.879827E+08 0.00E+00 e 0 0 0
266 4.529 3.934 1 U 8.144806E+06 0.00E+00 e 0 311 343
267 4.530 3.901 1 U 7.203632E+06 0.00E+00 e 0 311 344
268 4.378 3.998 4 U 4.222934E+07 0.00E+00 e 0 0 0
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329 4.246 2.089 1 U 2.443266E+07 0.00E+00 e 0 389 390
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331 3.794 1.810 1 U 7.488898E+06 0.00E+00 e 0 323 324
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354 1.623 7.992 1 U 2.463003E+07 0.00E+00 e 0 443 437
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481 0.921 7.204 1 U 2.268797E+07 0.00E+00 e 0 205 229
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522 1.413 7.090 1 U 4.641772E+06 0.00E+00 e 0 326 315
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531 0.869 6.807 1 U 8.579181E+06 0.00E+00 e 0 355 316
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533 0.810 6.806 1 U 1.201685E+07 0.00E+00 e 0 325 316
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547 7.342 8.124 1 U 4.785033E+06 0.00E+00 e 0 401 397
548 7.097 7.904 4 U 6.415176E+06 0.00E+00 e 0 0 0
549 3.158 8.086 4 U 4.697979E+06 0.00E+00 e 0 0 0
550 3.132 8.086 4 U 3.234873E+06 0.00E+00 e 0 0 0
551 3.006 8.290 1 U 2.284922E+06 0.00E+00 e 0 139 135
552 3.000 8.185 1 U 3.012417E+06 0.00E+00 e 0 415 409
553 3.001 8.144 4 U 3.030684E+06 0.00E+00 e 0 0 0
554 2.998 7.864 4 U 2.169999E+06 0.00E+00 e 0 0 0
555 3.002 7.976 4 U 2.468298E+06 0.00E+00 e 0 0 0
556 1.693 7.530 4 U 2.831543E+06 0.00E+00 e 0 0 0
557 2.456 4.050 4 U 1.420621E+07 0.00E+00 e 0 0 0
558 2.428 4.240 4 U 4.358016E+06 0.00E+00 e 0 0 0
559 2.412 4.225 4 U 3.637802E+06 0.00E+00 e 0 0 0
560 2.411 4.218 4 U 3.691135E+06 0.00E+00 e 0 0 0
561 2.125 4.358 4 U 4.557672E+06 0.00E+00 e 0 0 0
562 2.122 4.053 4 U 9.547841E+06 0.00E+00 e 0 0 0
563 2.104 4.359 4 U 3.610430E+06 0.00E+00 e 0 0 0
564 2.096 4.233 4 U 1.858448E+07 0.00E+00 e 0 0 0
565 2.094 4.303 4 U 8.216988E+06 0.00E+00 e 0 0 0
566 2.094 4.248 4 U 1.365460E+07 0.00E+00 e 0 0 0
567 2.094 4.186 4 U 5.859066E+06 0.00E+00 e 0 0 0
568 2.092 4.178 4 U 6.352538E+06 0.00E+00 e 0 0 0
569 2.092 3.998 4 U 3.868833E+06 0.00E+00 e 0 0 0
570 2.090 4.158 4 U 4.356071E+06 0.00E+00 e 0 0 0
571 2.091 3.931 4 U 3.565012E+06 0.00E+00 e 0 0 0
572 2.085 4.386 4 U 1.007424E+07 0.00E+00 e 0 0 0
573 2.086 4.052 4 U 1.078884E+07 0.00E+00 e 0 0 0
574 2.074 4.320 4 U 5.357760E+06 0.00E+00 e 0 0 0
575 2.057 4.304 4 U 6.722116E+06 0.00E+00 e 0 0 0
576 2.042 4.256 4 U 8.899044E+06 0.00E+00 e 0 0 0
577 2.008 4.374 4 U 4.692078E+06 0.00E+00 e 0 0 0
578 2.007 4.319 4 U 6.473242E+06 0.00E+00 e 0 0 0
579 1.976 4.319 4 U 4.012934E+06 0.00E+00 e 0 0 0
580 1.884 4.290 4 U 7.914329E+06 0.00E+00 e 0 0 0
581 1.869 4.304 4 U 6.674042E+06 0.00E+00 e 0 0 0
582 1.864 4.261 4 U 1.734454E+07 0.00E+00 e 0 0 0
583 1.863 4.176 4 U 3.674987E+07 0.00E+00 e 0 0 0
584 1.860 4.219 4 U 2.398622E+07 0.00E+00 e 0 0 0
585 1.858 4.225 4 U 2.424215E+07 0.00E+00 e 0 0 0
586 1.856 4.291 4 U 6.394773E+06 0.00E+00 e 0 0 0
587 1.855 3.929 4 U 6.384458E+06 0.00E+00 e 0 0 0
588 1.848 4.167 4 U 3.858226E+07 0.00E+00 e 0 0 0
589 1.842 3.887 4 U 6.140146E+06 0.00E+00 e 0 0 0
590 1.841 4.111 4 U 4.474738E+06 0.00E+00 e 0 0 0
591 1.839 3.856 4 U 3.582285E+06 0.00E+00 e 0 0 0
592 1.828 4.097 4 U 4.321344E+06 0.00E+00 e 0 0 0
593 1.811 3.805 4 U 1.032278E+07 0.00E+00 e 0 0 0
594 1.817 4.031 4 U 3.414776E+06 0.00E+00 e 0 0 0
595 1.775 4.175 4 U 7.401234E+06 0.00E+00 e 0 0 0
596 1.757 4.148 4 U 8.705243E+06 0.00E+00 e 0 0 0
597 1.751 4.050 4 U 6.556512E+06 0.00E+00 e 0 0 0
598 1.733 4.150 4 U 1.013961E+07 0.00E+00 e 0 0 0
599 1.720 4.085 4 U 6.461508E+06 0.00E+00 e 0 0 0
600 1.716 4.086 4 U 6.445948E+06 0.00E+00 e 0 0 0
601 1.709 4.112 4 U 5.744633E+06 0.00E+00 e 0 0 0
602 1.702 3.929 4 U 4.576668E+06 0.00E+00 e 0 0 0
603 1.701 3.888 4 U 3.723428E+06 0.00E+00 e 0 0 0
604 1.702 3.795 4 U 6.278386E+06 0.00E+00 e 0 0 0
605 1.699 4.160 4 U 1.890211E+07 0.00E+00 e 0 0 0
606 1.696 4.181 4 U 2.203980E+07 0.00E+00 e 0 0 0
607 1.693 4.242 4 U 2.060594E+07 0.00E+00 e 0 0 0
608 1.691 4.273 4 U 1.534137E+07 0.00E+00 e 0 0 0
609 1.685 4.315 4 U 4.795023E+06 0.00E+00 e 0 0 0
610 1.625 4.317 4 U 7.928917E+06 0.00E+00 e 0 0 0
611 1.621 4.174 4 U 7.684028E+06 0.00E+00 e 0 0 0
612 1.611 4.375 4 U 6.617868E+06 0.00E+00 e 0 0 0
613 1.612 4.289 4 U 1.102792E+07 0.00E+00 e 0 0 0
614 1.598 4.253 4 U 6.757227E+06 0.00E+00 e 0 0 0
615 1.594 4.272 4 U 6.044371E+06 0.00E+00 e 0 0 0
616 1.579 4.251 4 U 5.936208E+06 0.00E+00 e 0 0 0
617 1.525 4.052 4 U 3.917342E+06 0.00E+00 e 0 0 0
618 1.523 4.168 4 U 2.439939E+07 0.00E+00 e 0 0 0
619 1.519 3.797 4 U 6.891003E+06 0.00E+00 e 0 0 0
620 1.507 4.091 4 U 9.815700E+06 0.00E+00 e 0 0 0
621 1.454 4.270 4 U 4.064722E+07 0.00E+00 e 0 0 0
622 1.449 3.941 4 U 3.643824E+06 0.00E+00 e 0 0 0
623 1.449 3.925 4 U 6.313832E+06 0.00E+00 e 0 0 0
624 1.448 4.186 4 U 4.492330E+07 0.00E+00 e 0 0 0
625 1.448 3.886 4 U 6.305812E+06 0.00E+00 e 0 0 0
626 1.426 4.276 4 U 7.314940E+06 0.00E+00 e 0 0 0
627 1.412 3.799 4 U 4.839121E+06 0.00E+00 e 0 0 0
628 1.405 4.289 4 U 4.997756E+06 0.00E+00 e 0 0 0
629 1.376 4.249 4 U 4.287048E+06 0.00E+00 e 0 0 0
630 1.333 4.099 4 U 3.611595E+06 0.00E+00 e 0 0 0
631 1.331 4.168 4 U 3.578843E+06 0.00E+00 e 0 0 0
632 1.221 4.312 4 U 7.877442E+06 0.00E+00 e 0 0 0
633 1.219 4.241 4 U 5.337424E+07 0.00E+00 e 0 0 0
634 1.216 4.181 4 U 5.206556E+06 0.00E+00 e 0 0 0
635 1.205 4.195 4 U 4.235522E+06 0.00E+00 e 0 0 0
636 1.180 4.381 4 U 6.577136E+06 0.00E+00 e 0 0 0
637 1.181 4.255 4 U 2.555473E+07 0.00E+00 e 0 0 0
638 1.180 4.168 4 U 1.156200E+07 0.00E+00 e 0 0 0
639 1.178 4.197 4 U 4.727851E+06 0.00E+00 e 0 0 0
640 1.143 3.796 4 U 7.548962E+06 0.00E+00 e 0 0 0
641 1.107 4.168 4 U 4.075698E+06 0.00E+00 e 0 0 0
642 1.108 4.100 4 U 6.500595E+06 0.00E+00 e 0 0 0
643 0.926 4.258 4 U 1.516454E+07 0.00E+00 e 0 0 0
644 0.921 4.221 4 U 4.630026E+06 0.00E+00 e 0 0 0
645 0.918 4.303 4 U 4.187289E+06 0.00E+00 e 0 0 0
646 0.915 4.183 4 U 2.059732E+07 0.00E+00 e 0 0 0
647 0.908 4.051 4 U 4.282174E+06 0.00E+00 e 0 0 0
648 0.899 4.108 4 U 4.377723E+06 0.00E+00 e 0 0 0
649 0.900 4.090 4 U 4.162826E+06 0.00E+00 e 0 0 0
650 0.876 4.257 4 U 2.167693E+07 0.00E+00 e 0 0 0
651 0.872 4.171 4 U 1.290415E+07 0.00E+00 e 0 0 0
652 0.870 4.050 4 U 1.191944E+07 0.00E+00 e 0 0 0
653 0.864 4.385 4 U 5.678296E+06 0.00E+00 e 0 0 0
654 0.866 4.319 4 U 5.796777E+06 0.00E+00 e 0 0 0
655 0.863 4.290 4 U 7.460140E+06 0.00E+00 e 0 0 0
656 0.862 3.792 4 U 4.303686E+06 0.00E+00 e 0 0 0
657 0.855 4.101 4 U 2.575577E+07 0.00E+00 e 0 0 0
658 0.846 4.258 4 U 4.205502E+06 0.00E+00 e 0 0 0
659 0.845 4.242 4 U 3.828891E+06 0.00E+00 e 0 0 0
660 0.837 4.050 4 U 6.281895E+06 0.00E+00 e 0 0 0
661 0.835 4.165 4 U 3.308273E+07 0.00E+00 e 0 0 0
662 0.830 3.796 4 U 3.565080E+07 0.00E+00 e 0 0 0
663 0.828 4.257 4 U 3.601305E+06 0.00E+00 e 0 0 0
664 0.796 4.164 4 U 2.426313E+07 0.00E+00 e 0 0 0
665 0.768 4.167 4 U 2.213850E+07 0.00E+00 e 0 0 0
666 0.735 4.168 4 U 7.460958E+06 0.00E+00 e 0 0 0
667 0.732 4.104 4 U 4.726341E+06 0.00E+00 e 0 0 0
668 0.731 4.091 4 U 4.326996E+06 0.00E+00 e 0 0 0
669 0.728 4.050 4 U 5.273075E+06 0.00E+00 e 0 0 0
670 1.498 3.797 4 U 4.725050E+06 0.00E+00 e 0 0 0
671 1.622 4.271 4 U 7.171392E+06 0.00E+00 e 0 0 0
672 1.515 3.929 4 U 3.157514E+06 0.00E+00 e 0 0 0
673 1.615 3.361 4 U 6.680756E+06 0.00E+00 e 0 0 0
674 1.615 3.388 4 U 3.762138E+06 0.00E+00 e 0 0 0
675 0.910 3.364 1 U 9.721736E+06 0.00E+00 e 0 427 399
676 0.909 3.389 4 U 4.717951E+06 0.00E+00 e 0 0 0
677 0.867 3.362 1 U 3.171020E+06 0.00E+00 e 0 428 399
678 1.617 3.216 4 U 2.415055E+07 0.00E+00 e 0 0 0
679 1.661 3.216 4 U 1.090912E+07 0.00E+00 e 0 0 0
680 1.837 3.215 4 U 6.522314E+06 0.00E+00 e 0 0 0
681 0.922 3.149 1 U 1.100231E+07 0.00E+00 e 0 205 225
682 1.452 3.150 4 U 3.431635E+06 0.00E+00 e 0 0 0
683 1.731 3.151 4 U 2.521939E+06 0.00E+00 e 0 0 0
684 1.860 2.455 1 U 3.929658E+06 0.00E+00 e 0 384 338
685 1.518 2.457 1 U 4.536906E+06 0.00E+00 e 0 381 338
686 0.909 2.457 1 U 1.138238E+07 0.00E+00 e 0 439 338
687 0.866 2.457 1 U 1.127246E+07 0.00E+00 e 0 440 338
688 0.730 2.456 1 U 3.916978E+06 0.00E+00 e 0 278 338
689 0.831 2.455 4 U 4.937086E+06 0.00E+00 e 0 0 0
690 2.456 1.522 4 U 4.319209E+06 0.00E+00 e 0 0 0
691 2.456 0.726 4 U 3.833341E+06 0.00E+00 e 0 0 0
692 2.086 0.728 4 U 4.177850E+06 0.00E+00 e 0 0 0
693 4.048 0.729 4 U 8.826685E+06 0.00E+00 e 0 0 0
694 3.309 7.296 1 U 3.128784E+06 0.00E+00 e 0 21 23
695 3.222 7.296 1 U 2.322958E+06 0.00E+00 e 0 22 23
696 7.294 8.627 1 U 9.434958E+06 0.00E+00 e 0 23 24
697 7.342 8.642 1 U 2.724491E+07 0.00E+00 e 0 401 402
698 3.230 7.236 1 U 7.080112E+06 0.00E+00 e 0 71 66
699 2.128 7.984 1 U 1.662265E+07 0.00E+00 e 0 335 333
700 2.086 7.982 1 U 3.463606E+07 0.00E+00 e 0 336 333
701 2.455 7.983 1 U 1.402570E+07 0.00E+00 e 0 338 333
702 2.457 8.050 4 U 3.238335E+06 0.00E+00 e 0 0 0
703 2.455 7.952 1 U 6.968262E+06 0.00E+00 e 0 338 341
704 2.087 8.050 4 U 5.216940E+06 0.00E+00 e 0 0 0
705 2.095 8.198 4 U 6.944942E+07 0.00E+00 e 0 0 0
706 2.419 8.197 4 U 1.039082E+07 0.00E+00 e 0 0 0
707 2.365 8.197 4 U 7.806586E+06 0.00E+00 e 0 0 0
708 1.840 7.888 4 U 2.830108E+07 0.00E+00 e 0 0 0
709 6.801 0.839 4 U 1.722124E+07 0.00E+00 e 0 0 0
710 6.800 0.798 4 U 1.268315E+07 0.00E+00 e 0 0 0
711 6.801 0.865 4 U 7.874884E+06 0.00E+00 e 0 0 0
712 7.096 0.918 4 U 5.353033E+06 0.00E+00 e 0 0 0
713 7.096 0.835 4 U 1.603808E+07 0.00E+00 e 0 0 0
714 7.096 0.812 4 U 1.014824E+07 0.00E+00 e 0 0 0
715 7.093 0.865 4 U 7.591754E+06 0.00E+00 e 0 0 0
716 7.341 0.871 4 U 6.482262E+06 0.00E+00 e 0 0 0
717 7.340 0.840 4 U 1.058560E+07 0.00E+00 e 0 0 0
718 7.341 0.795 4 U 4.360281E+06 0.00E+00 e 0 0 0
719 7.287 0.919 4 U 9.600314E+06 0.00E+00 e 0 0 0
720 7.281 0.767 4 U 8.577698E+06 0.00E+00 e 0 0 0
721 7.281 0.729 4 U 1.101652E+07 0.00E+00 e 0 0 0
722 7.280 0.868 4 U 1.849113E+07 0.00E+00 e 0 0 0
# 723 7.239 0.924 4 U 5.168897E+06 0.00E+00 e 0 0 0
724 7.236 0.868 4 U 1.151678E+07 0.00E+00 e 0 0 0
725 7.235 0.768 4 U 5.874223E+06 0.00E+00 e 0 0 0
726 7.236 0.727 4 U 5.479498E+06 0.00E+00 e 0 0 0
727 7.234 0.831 4 U 1.022445E+07 0.00E+00 e 0 0 0
728 7.203 0.924 4 U 2.038808E+07 0.00E+00 e 0 0 0
729 7.204 0.869 4 U 2.070041E+07 0.00E+00 e 0 0 0
730 7.202 0.765 4 U 6.603064E+06 0.00E+00 e 0 0 0
731 7.202 0.729 4 U 6.937528E+06 0.00E+00 e 0 0 0
732 7.203 0.906 4 U 1.072706E+07 0.00E+00 e 0 0 0
# 733 7.205 0.850 4 U 2.176906E+07 0.00E+00 e 0 0 0
734 7.205 0.838 4 U 1.403337E+07 0.00E+00 e 0 0 0
735 7.206 0.812 4 U 7.903650E+06 0.00E+00 e 0 0 0
736 7.280 0.813 4 U 7.761772E+06 0.00E+00 e 0 0 0
737 7.279 0.837 4 U 1.452180E+07 0.00E+00 e 0 0 0
738 7.280 0.851 4 U 1.547003E+07 0.00E+00 e 0 0 0
739 8.451 8.080 1 U 4.982486E+06 0.00E+00 e 0 296 288
740 7.785 0.765 4 U 1.102707E+07 0.00E+00 e 0 0 0
741 7.784 1.109 4 U 7.359245E+06 0.00E+00 e 0 0 0
742 7.906 0.825 4 U 1.562489E+07 0.00E+00 e 0 0 0
743 7.857 0.836 4 U 1.306685E+07 0.00E+00 e 0 0 0
744 7.858 0.798 4 U 1.033068E+07 0.00E+00 e 0 0 0
745 8.149 1.220 4 U 2.220957E+07 0.00E+00 e 0 0 0
746 8.247 1.223 4 U 9.359494E+06 0.00E+00 e 0 0 0
747 8.379 1.180 4 U 9.321702E+06 0.00E+00 e 0 0 0
748 7.942 1.180 4 U 3.674696E+07 0.00E+00 e 0 0 0
749 7.905 1.147 4 U 6.773206E+06 0.00E+00 e 0 0 0
750 7.904 1.175 4 U 8.563282E+06 0.00E+00 e 0 0 0
751 7.968 0.865 4 U 2.035448E+07 0.00E+00 e 0 0 0
752 7.968 0.806 4 U 9.112019E+06 0.00E+00 e 0 0 0
753 7.967 0.830 4 U 2.440249E+07 0.00E+00 e 0 0 0
754 7.202 1.697 4 U 1.052168E+07 0.00E+00 e 0 0 0
755 7.203 1.453 4 U 4.793290E+06 0.00E+00 e 0 0 0
756 4.159 7.982 4 U 3.194183E+07 0.00E+00 e 0 0 0
757 4.160 8.124 4 U 1.780142E+07 0.00E+00 e 0 0 0
758 0.810 7.280 4 U 7.757934E+06 0.00E+00 e 0 0 0
759 0.809 7.230 4 U 5.316839E+06 0.00E+00 e 0 0 0
760 0.810 7.204 1 U 8.920954E+06 0.00E+00 e 0 325 229
761 0.922 3.009 1 U 6.018042E+06 0.00E+00 e 0 205 174
762 0.912 3.191 1 U 8.050739E+06 0.00E+00 e 0 439 400
763 0.868 3.191 1 U 3.624248E+06 0.00E+00 e 0 428 400
764 0.873 3.148 4 U 7.146536E+06 0.00E+00 e 0 0 0
765 0.872 3.007 4 U 5.473712E+06 0.00E+00 e 0 0 0
766 2.089 2.922 1 U 7.982141E+06 0.00E+00 e 0 153 120
767 2.089 2.863 1 U 4.631398E+06 0.00E+00 e 0 153 121
768 2.089 3.013 1 U 6.625821E+06 0.00E+00 e 0 390 380
769 1.689 2.456 1 U 1.191217E+07 0.00E+00 e 0 379 338
770 3.940 7.965 4 U 2.919370E+07 0.00E+00 e 0 0 0
771 3.899 7.967 4 U 2.584534E+07 0.00E+00 e 0 0 0
772 1.765 7.854 1 U 6.879068E+06 0.00E+00 e 0 353 364
773 1.716 8.049 1 U 1.470498E+07 0.00E+00 e 0 366 377
774 1.534 8.049 1 U 2.025571E+07 0.00E+00 e 0 367 377
775 0.837 7.857 1 U 1.416367E+07 0.00E+00 e 0 368 364
776 0.796 7.856 1 U 1.020264E+07 0.00E+00 e 0 369 364
777 0.910 7.994 4 U 5.727897E+06 0.00E+00 e 0 0 0
778 0.867 7.993 4 U 9.222250E+06 0.00E+00 e 0 0 0
779 3.375 1.615 1 U 3.680884E+06 0.00E+00 e 0 399 431
780 4.050 0.836 1 U 1.072584E+07 0.00E+00 e 0 334 368
781 4.050 0.872 4 U 2.081756E+07 0.00E+00 e 0 0 0
782 4.046 1.717 1 U 7.013710E+06 0.00E+00 e 0 334 366
783 1.403 8.176 1 U 1.020390E+07 0.00E+00 e 0 417 409
784 1.678 8.175 1 U 1.077217E+07 0.00E+00 e 0 416 409
785 1.217 8.369 1 U 3.218029E+06 0.00E+00 e 0 100 118
786 0.840 7.280 1 U 1.861528E+07 0.00E+00 e 0 368 230
787 0.838 7.230 1 U 1.278579E+07 0.00E+00 e 0 368 227
;
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' 6009.62 Hz . . . 4.78 . . 31112 1
2 . . H 1 H . 'not observed' 6009.62 Hz . . . 4.78 . . 31112 1
stop_
save_