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 34340
_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.Experiment_ID 3
_Spectral_peak_list.Experiment_name '2D 1H-1H ROESY'
_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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 2
# INAME 1 H1
# INAME 2 H1
1 1.916 1.916 0 U 8.315e+06 0.00e+00 - 0 76 76 0
# HG2/HG2 Q3
3 1.916 4.176 0 U 2.386e+03 0.00e+00 - 0 76 22 0
# HG2/HA Q3
4 1.916 1.723 0 U 4.376e+03 0.00e+00 - 0 76 25 0
# HG2/HB Q3
7 4.194 3.276 0 U 3.392e+01 0.00e+00 - 0 68 69 0
# HA/HD3 17
8 4.194 2.192 0 U 9.358e+02 0.00e+00 - 0 68 70 0
# HA/HB 17
9 4.194 1.807 0 U 1.577e+03 0.00e+00 - 0 68 71 0
# HA/HG 17
12 4.378 7.994 0 U 8.668e+01 0.00e+00 - 0 40 41 0
# HA/H 10
16 1.944 2.231 0 U 6.343e+02 0.00e+00 - 0 106 105 0
# HB/HG 24
17 1.944 8.186 0 U 3.241e+01 0.00e+00 - 0 106 104 0
# HB/H 24
18 1.944 4.204 0 U 6.270e+02 0.00e+00 - 0 106 103 0
# HB/HA 24
20 2.759 3.019 0 U 1.409e+03 0.00e+00 - 0 131 130 0
# HB3/HB2 29
22 2.759 4.763 0 U 2.098e+03 0.00e+00 - 0 131 128 0
# HB3/HA 29
24 2.923 2.823 0 U 1.380e+04 0.00e+00 - 0 53 54 0
# HB2/HB3 Y13
25 2.923 7.663 0 U 1.901e+02 0.00e+00 - 0 53 52 0
# HB2/H Y13
27 2.923 6.983 0 U 9.200e+02 0.00e+00 - 0 53 95 0
# HB2/HD Y13
28 2.923 6.674 0 U 5.261e+01 0.00e+00 - 0 53 96 0
# HB2/HE Y13
29 3.276 4.194 0 U 6.383e+02 0.00e+00 - 0 69 68 0
# HD3/HA 17
31 3.276 2.192 0 U 1.050e+02 0.00e+00 - 0 69 70 0
# HD3/HB 17
32 3.276 1.807 0 U 8.906e+01 0.00e+00 - 0 69 71 0
# HD3/HG 17
35 2.801 8.213 0 U 3.070e+01 0.00e+00 - 0 34 32 0
# HB3/H 8
36 2.801 4.734 0 U 1.549e+03 0.00e+00 - 0 34 31 0
# HB3/HA 8
37 2.801 3.020 0 U 6.699e+02 0.00e+00 - 0 34 33 0
# HB3/HB2 8
39 1.821 4.422 0 U 3.777e+02 0.00e+00 - 0 21 17 0
# HB3/HA Q5
40 1.821 2.191 0 U 6.344e+03 0.00e+00 - 0 21 19 0
# HB3/HG Q5
41 1.821 8.286 0 U 7.396e+02 0.00e+00 - 0 21 18 0
# HB3/H Q5
44 1.701 2.035 0 U 5.217e+03 0.00e+00 - 0 66 64 0
# HB3/HB2 P12
45 1.701 4.224 0 U 4.419e+02 0.00e+00 - 0 66 62 0
# HB3/HA P12
46 1.701 3.566 0 U 4.095e+02 0.00e+00 - 0 66 61 0
# HB3/HD2 P12
47 1.701 3.465 0 U 7.426e+02 0.00e+00 - 0 66 63 0
# HB3/HD3 P12
49 1.999 1.999 0 U 3.791e+02 0.00e+00 - 0 125 125 0
# HG3/HG3 28
52 1.999 3.993 0 U 1.026e+02 0.00e+00 - 0 125 122 0
# HG3/HA 28
54 1.999 1.651 0 U 3.391e+02 0.00e+00 - 0 125 127 0
# HG3/HB3 28
56 8.166 4.081 0 U 9.856e+01 0.00e+00 - 0 108 107 0
# H/HA 25
62 8.199 1.717 0 U 8.865e+01 0.00e+00 - 0 36 39 0
# H/HB3 9
65 8.199 4.424 0 U 3.724e+02 0.00e+00 - 0 36 35 0
# H/HA 9
67 4.134 8.301 0 U 2.142e+03 0.00e+00 - 0 13 14 0
# HA/H Q10
68 4.134 8.229 0 U 1.868e+03 0.00e+00 - 0 13 27 0
# HA Q10/H Q11
69 4.134 1.819 0 U 1.259e+03 0.00e+00 - 0 13 16 0
# HA/HB Q10
70 4.134 2.211 0 U 1.492e+03 0.00e+00 - 0 13 15 0
# HA/HG Q10
72 1.875 8.229 0 U 1.691e+02 0.00e+00 - 0 29 27 0
# HB2/H Q11
73 1.875 2.171 0 U 1.009e+03 0.00e+00 - 0 29 28 0
# HB2/HG Q11
74 1.875 4.440 0 U 1.057e+03 0.00e+00 - 0 29 26 0
# HB2/HA Q11
76 8.101 1.999 0 U 8.603e+01 0.00e+00 - 0 123 125 0
# H/HG3 28
82 2.173 2.173 0 U 7.809e+07 0.00e+00 - 0 119 119 0
# HG/HG 27
84 2.173 4.161 0 U 8.487e+02 0.00e+00 - 0 119 117 0
# HG/HA 27
86 2.173 8.120 0 U 1.507e+01 0.00e+00 - 0 119 118 0
# HG/H 27
87 1.717 8.199 0 U 1.107e+02 0.00e+00 - 0 39 36 0
# HB3/H 9
89 1.717 2.159 0 U 2.032e+03 0.00e+00 - 0 39 37 0
# HB3/HG 9
91 1.717 4.424 0 U 5.323e+02 0.00e+00 - 0 39 35 0
# HB3/HA 9
92 4.081 8.166 0 U 4.252e+02 0.00e+00 - 0 107 108 0
# HA/H 25
94 4.081 1.660 0 U 2.935e+01 0.00e+00 - 0 107 112 0
# HA/HB3 25
97 4.081 2.171 0 U 4.310e+02 0.00e+00 - 0 107 109 0
# HA/HG2 25
100 2.094 3.952 0 U 4.591e+01 0.00e+00 - 0 134 132 0
# HG2/HA 30
101 2.094 1.615 0 U 2.087e+02 0.00e+00 - 0 134 137 0
# HG2/HB3 30
102 2.094 1.758 0 U 2.113e+03 0.00e+00 - 0 134 136 0
# HG2/HB2 30
104 2.035 1.701 0 U 8.131e+03 0.00e+00 - 0 64 66 0
# HB2/HB3 P12
106 2.035 4.224 0 U 2.797e+03 0.00e+00 - 0 64 62 0
# HB2/HA P12
107 2.035 3.566 0 U 6.998e+02 0.00e+00 - 0 64 61 0
# HB2/HD2 P12
108 2.035 3.465 0 U 4.023e+02 0.00e+00 - 0 64 63 0
# HB2/HD3 P12
110 3.019 2.759 0 U 1.249e+04 0.00e+00 - 0 130 131 0
# HB2/HB3 29
112 3.019 8.035 0 U 4.744e+01 0.00e+00 - 0 130 129 0
# HB2/H 29
113 3.019 4.763 0 U 1.719e+03 0.00e+00 - 0 130 128 0
# HB2/HA 29
114 7.994 4.378 0 U 1.430e+02 0.00e+00 - 0 41 40 0
# H/HA 10
116 7.994 2.996 0 U 5.334e+01 0.00e+00 - 0 41 42 0
# H/HB2 10
117 7.994 2.857 0 U 1.534e+02 0.00e+00 - 0 41 43 0
# H/HB3 10
119 1.980 8.348 0 U 2.116e+01 0.00e+00 - 0 11 9 0
# HB2/H 3
122 1.980 4.476 0 U 1.213e+02 0.00e+00 - 0 11 8 0
# HB2/HA 3
125 2.990 4.718 0 U 6.308e+02 0.00e+00 - 0 140 138 0
# HB2/HA 31
126 2.990 2.751 0 U 9.879e+03 0.00e+00 - 0 140 141 0
# HB2/HB3 31
128 1.724 3.203 0 U 1.744e+02 0.00e+00 - 0 91 90 0
# HB2/HD3 21
130 1.724 3.292 0 U 8.554e+02 0.00e+00 - 0 91 89 0
# HB2/HD2 21
132 1.724 4.419 0 U 6.570e+02 0.00e+00 - 0 91 88 0
# HB2/HA 21
134 1.605 2.008 0 U 3.980e+03 0.00e+00 - 0 78 75 0
# HB3/HB2 P6
135 1.605 3.467 0 U 4.243e+02 0.00e+00 - 0 78 74 0
# HB3/HD3 P6
136 1.605 4.171 0 U 4.047e+02 0.00e+00 - 0 78 73 0
# HB3/HA P6
137 1.605 3.552 0 U 2.000e+02 0.00e+00 - 0 78 72 0
# HB3/HD2 P6
140 7.937 2.750 0 U 6.648e+02 0.00e+00 - 0 48 50 0
# H/HB3 F7
141 7.937 2.996 0 U 1.436e+02 0.00e+00 - 0 48 49 0
# H/HB2 F7
142 7.937 4.722 0 U 1.643e+03 0.00e+00 - 0 48 47 0
# H/HA F7
143 7.937 7.161 0 U 8.465e+02 0.00e+00 - 0 48 94 0
# H/HD F7
144 7.937 4.171 0 U 2.442e+03 0.00e+00 - 0 48 73 0
# H F7/HA P6
146 3.646 3.468 0 U 3.001e+03 0.00e+00 - 0 55 57 0
# HD2/HD3 P9
147 3.646 4.283 0 U 4.998e+02 0.00e+00 - 0 55 56 0
# HD2/HA P9
148 3.646 1.752 0 U 4.676e+02 0.00e+00 - 0 55 60 0
# HD2/HB3 P9
149 3.646 1.863 0 U 1.761e+03 0.00e+00 - 0 55 59 0
# HD2/HG P9
150 3.646 2.135 0 U 1.976e+02 0.00e+00 - 0 55 58 0
# HD2/HB2 P9
152 1.886 4.078 0 U 3.192e+02 0.00e+00 - 0 102 99 0
# HB/HA 23
153 1.886 2.197 0 U 3.364e+03 0.00e+00 - 0 102 101 0
# HB/HG 23
154 1.886 8.466 0 U 8.411e+01 0.00e+00 - 0 102 100 0
# HB/H 23
158 2.163 3.993 0 U 1.537e+02 0.00e+00 - 0 124 122 0
# HG2/HA 28
159 2.163 1.791 0 U 2.036e+03 0.00e+00 - 0 124 126 0
# HG2/HB2 28
160 2.163 1.651 0 U 6.327e+01 0.00e+00 - 0 124 127 0
# HG2/HB3 28
161 8.301 4.134 0 U 6.464e+01 0.00e+00 - 0 14 13 0
# H/HA Q10
163 8.301 1.819 0 U 1.093e+02 0.00e+00 - 0 14 16 0
# H/HB Q10
164 8.301 4.283 0 U 1.722e+03 0.00e+00 - 0 14 56 0
# H Q10/HA P9
165 8.301 2.211 0 U 3.157e+02 0.00e+00 - 0 14 15 0
# H/HG Q10
167 7.958 4.277 0 U 2.455e+01 0.00e+00 - 0 45 44 0
# H/HA 11
168 7.958 2.827 0 U 1.785e+02 0.00e+00 - 0 45 46 0
# H/HB 11
169 3.993 1.999 0 U 1.111e+02 0.00e+00 - 0 122 125 0
# HA/HG3 28
170 3.993 8.101 0 U 1.231e+02 0.00e+00 - 0 122 123 0
# HA/H 28
171 3.993 2.163 0 U 6.892e+01 0.00e+00 - 0 122 124 0
# HA/HG2 28
173 3.993 1.791 0 U 1.147e+02 0.00e+00 - 0 122 126 0
# HA/HB2 28
174 3.993 1.651 0 U 2.661e+01 0.00e+00 - 0 122 127 0
# HA/HB3 28
175 3.203 1.724 0 U 2.034e+02 0.00e+00 - 0 90 91 0
# HD3/HB2 21
177 3.203 1.521 0 U 5.759e+02 0.00e+00 - 0 90 93 0
# HD3/HG 21
179 3.203 1.644 0 U 1.937e+02 0.00e+00 - 0 90 92 0
# HD3/HB3 21
182 7.692 2.827 0 U 8.262e+01 0.00e+00 - 0 143 145 0
# H/HB3 32
184 7.692 4.345 0 U 1.136e+02 0.00e+00 - 0 143 142 0
# H/HA 32
185 2.750 7.937 0 U 1.996e+02 0.00e+00 - 0 50 48 0
# HB3/H F7
187 2.750 2.996 0 U 1.538e+04 0.00e+00 - 0 50 49 0
# HB3/HB2 F7
189 2.750 7.161 0 U 4.263e+02 0.00e+00 - 0 50 94 0
# HB3/HD F7
192 8.029 3.952 0 U 5.175e+01 0.00e+00 - 0 133 132 0
# H/HA 30
196 8.035 2.759 0 U 5.852e+01 0.00e+00 - 0 129 131 0
# H/HB3 29
197 8.035 3.019 0 U 9.642e+00 0.00e+00 - 0 129 130 0
# H/HB2 29
200 4.422 1.821 0 U 5.203e+01 0.00e+00 - 0 17 21 0
# HA/HB3 Q5
201 4.422 4.422 0 U 6.824e+04 0.00e+00 - 0 17 17 0
# HA/HA Q5
202 4.422 2.191 0 U 1.183e+02 0.00e+00 - 0 17 19 0
# HA/HG Q5
203 4.422 8.286 0 U 3.610e+01 0.00e+00 - 0 17 18 0
# HA/H Q5
204 4.422 3.467 0 U 1.659e+02 0.00e+00 - 0 17 74 0
# HA Q5/HD3 P6
207 7.888 2.990 0 U 4.852e+01 0.00e+00 - 0 139 140 0
# H/HB2 31
209 7.888 4.718 0 U 6.147e+02 0.00e+00 - 0 139 138 0
# H/HA 31
210 7.888 2.751 0 U 1.167e+02 0.00e+00 - 0 139 141 0
# H/HB3 31
212 4.152 8.372 0 U 9.490e+02 0.00e+00 - 0 3 4 0
# HA/H Q4
213 4.152 1.809 0 U 1.575e+03 0.00e+00 - 0 3 7 0
# HA/HB3 Q4
214 4.152 8.286 0 U 2.168e+03 0.00e+00 - 0 3 18 0
# HA Q4/H Q5
215 4.152 1.904 0 U 1.162e+03 0.00e+00 - 0 3 6 0
# HA/HB2 Q4
216 4.152 2.185 0 U 1.810e+03 0.00e+00 - 0 3 5 0
# HA/HG Q4
217 4.078 1.886 0 U 3.960e+02 0.00e+00 - 0 99 102 0
# HA/HB 23
219 4.078 2.197 0 U 1.270e+02 0.00e+00 - 0 99 101 0
# HA/HG 23
220 4.078 8.466 0 U 7.476e+01 0.00e+00 - 0 99 100 0
# HA/H 23
221 4.335 4.335 0 U 2.449e+04 0.00e+00 - 0 146 146 0
# HA/HA 33
223 4.335 2.918 0 U 5.454e+01 0.00e+00 - 0 146 148 0
# HA/HB2 33
224 4.335 7.596 0 U 5.046e+01 0.00e+00 - 0 146 147 0
# HA/H 33
225 2.189 1.916 0 U 1.606e+04 0.00e+00 - 0 24 76 0
# HG/HG2 Q3
226 2.189 2.189 0 U 3.682e+08 0.00e+00 - 0 24 24 0
# HG/HG Q3
227 2.189 4.176 0 U 3.739e+02 0.00e+00 - 0 24 22 0
# HG/HA Q3
228 2.189 1.723 0 U 7.200e+02 0.00e+00 - 0 24 25 0
# HG/HB Q3
229 2.189 8.283 0 U 6.803e+02 0.00e+00 - 0 24 23 0
# HG/H Q3
231 2.823 2.823 0 U 6.920e+05 0.00e+00 - 0 54 54 0
# HB3/HB3 Y13
232 2.823 7.663 0 U 3.298e+02 0.00e+00 - 0 54 52 0
# HB3/H Y13
233 2.823 4.333 0 U 1.205e+04 0.00e+00 - 0 54 51 0
# HB3/HA Y13
234 2.823 6.983 0 U 1.597e+03 0.00e+00 - 0 54 95 0
# HB3/HD Y13
235 2.823 6.674 0 U 9.007e+01 0.00e+00 - 0 54 96 0
# HB3/HE Y13
237 1.748 1.748 0 U 2.790e+06 0.00e+00 - 0 121 121 0
# HB3/HB3 27
238 1.748 4.161 0 U 4.945e+02 0.00e+00 - 0 121 117 0
# HB3/HA 27
239 1.748 1.891 0 U 3.615e+03 0.00e+00 - 0 121 120 0
# HB3/HB2 27
243 8.348 2.252 0 U 9.429e+01 0.00e+00 - 0 9 10 0
# H/HG 3
245 8.348 4.476 0 U 1.124e+02 0.00e+00 - 0 9 8 0
# H/HA 3
246 2.996 7.937 0 U 1.010e+02 0.00e+00 - 0 49 48 0
# HB2/H F7
250 2.996 7.161 0 U 5.700e+02 0.00e+00 - 0 49 94 0
# HB2/HD F7
251 2.996 4.378 0 U 3.402e+02 0.00e+00 - 0 42 40 0
# HB2/HA 10
252 2.996 7.994 0 U 5.008e+01 0.00e+00 - 0 42 41 0
# HB2/H 10
256 3.851 8.589 0 U 1.585e+03 0.00e+00 - 0 1 2 0
# HA/H G2
257 3.851 8.283 0 U 3.578e+03 0.00e+00 - 0 1 23 0
# HA G2/H Q3
258 8.372 4.152 0 U 5.192e+02 0.00e+00 - 0 4 3 0
# H/HA Q4
260 8.372 4.176 0 U 2.163e+03 0.00e+00 - 0 4 22 0
# H Q4/HA Q3
261 8.372 1.809 0 U 1.541e+02 0.00e+00 - 0 4 7 0
# H/HB3 Q4
262 8.372 1.904 0 U 3.135e+01 0.00e+00 - 0 4 6 0
# H/HB2 Q4
263 8.372 2.185 0 U 1.529e+02 0.00e+00 - 0 4 5 0
# H/HG Q4
264 4.763 2.759 0 U 1.198e+02 0.00e+00 - 0 128 131 0
# HA/HB3 29
268 4.176 1.916 0 U 2.305e+03 0.00e+00 - 0 22 76 0
# HA/HG2 Q3
269 4.176 2.189 0 U 1.942e+03 0.00e+00 - 0 22 24 0
# HA/HG Q3
270 4.176 8.372 0 U 2.190e+03 0.00e+00 - 0 22 4 0
# HA Q3/H Q4
272 4.176 1.723 0 U 3.501e+02 0.00e+00 - 0 22 25 0
# HA/HB Q3
273 4.176 8.283 0 U 1.034e+03 0.00e+00 - 0 22 23 0
# HA/H Q3
276 4.718 4.718 0 U 4.819e+04 0.00e+00 - 0 138 138 0
# HA/HA 31
278 2.159 8.199 0 U 8.441e+01 0.00e+00 - 0 37 36 0
# HG/H 9
279 2.159 1.717 0 U 7.122e+02 0.00e+00 - 0 37 39 0
# HG/HB3 9
280 2.159 2.159 0 U 1.033e+07 0.00e+00 - 0 37 37 0
# HG/HG 9
281 2.159 1.865 0 U 1.265e+03 0.00e+00 - 0 37 38 0
# HG/HB2 9
282 2.159 4.424 0 U 9.566e+02 0.00e+00 - 0 37 35 0
# HG/HA 9
285 1.571 3.898 0 U 6.928e+02 0.00e+00 - 0 85 86 0
# HB/HA L1
286 1.571 8.589 0 U 1.731e+02 0.00e+00 - 0 85 2 0
# HB L1/H G2
288 1.740 3.664 0 U 6.238e+02 0.00e+00 - 0 84 80 0
# HB3/HD2 P8
289 1.740 4.524 0 U 1.430e+02 0.00e+00 - 0 84 79 0
# HB3/HA P8
291 1.740 2.167 0 U 5.916e+04 0.00e+00 - 0 84 82 0
# HB3/HB2 P8
292 1.740 3.402 0 U 8.357e+02 0.00e+00 - 0 84 81 0
# HB3/HD3 P8
293 8.229 4.134 0 U 3.120e+03 0.00e+00 - 0 27 13 0
# H Q11/HA Q10
294 8.229 1.875 0 U 1.650e+01 0.00e+00 - 0 27 29 0
# H/HB2 Q11
296 8.229 2.171 0 U 2.492e+02 0.00e+00 - 0 27 28 0
# H/HG Q11
297 8.229 4.440 0 U 3.993e+02 0.00e+00 - 0 27 26 0
# H/HA Q11
298 8.229 1.739 0 U 2.940e+02 0.00e+00 - 0 27 30 0
# H/HB3 Q11
303 2.826 2.918 0 U 3.130e+05 0.00e+00 - 0 149 148 0
# HB3/HB2 33
305 1.660 8.166 0 U 1.022e+01 0.00e+00 - 0 112 108 0
# HB3/H 25
306 1.660 4.081 0 U 1.884e+00 0.00e+00 - 0 112 107 0
# HB3/HA 25
308 1.660 1.954 0 U 4.155e+02 0.00e+00 - 0 112 110 0
# HB3/HG3 25
310 1.660 2.171 0 U 6.129e+01 0.00e+00 - 0 112 109 0
# HB3/HG2 25
311 1.791 1.999 0 U 1.480e+03 0.00e+00 - 0 126 125 0
# HB2/HG3 28
312 1.791 8.101 0 U 1.904e+01 0.00e+00 - 0 126 123 0
# HB2/H 28
313 1.791 2.163 0 U 1.879e+03 0.00e+00 - 0 126 124 0
# HB2/HG2 28
314 1.791 3.993 0 U 1.842e+02 0.00e+00 - 0 126 122 0
# HB2/HA 28
315 1.791 1.791 0 U 2.029e+07 0.00e+00 - 0 126 126 0
# HB2/HB2 28
317 2.827 7.692 0 U 1.393e+01 0.00e+00 - 0 145 143 0
# HB3/H 32
318 2.827 2.827 0 U 9.179e+05 0.00e+00 - 0 145 145 0
# HB3/HB3 32
320 2.827 4.345 0 U 4.190e+03 0.00e+00 - 0 145 142 0
# HB3/HA 32
321 2.197 1.886 0 U 3.939e+03 0.00e+00 - 0 101 102 0
# HG/HB 23
322 2.197 4.078 0 U 1.268e+02 0.00e+00 - 0 101 99 0
# HG/HA 23
324 2.197 8.466 0 U 9.677e+01 0.00e+00 - 0 101 100 0
# HG/H 23
325 1.819 4.134 0 U 1.965e+02 0.00e+00 - 0 16 13 0
# HB/HA Q10
327 1.819 1.819 0 U 4.452e+07 0.00e+00 - 0 16 16 0
# HB/HB Q10
329 4.161 2.173 0 U 1.719e+02 0.00e+00 - 0 117 119 0
# HA/HG 27
330 4.161 1.748 0 U 1.569e+02 0.00e+00 - 0 117 121 0
# HA/HB3 27
332 4.161 1.891 0 U 4.851e+02 0.00e+00 - 0 117 120 0
# HA/HB2 27
333 4.161 8.120 0 U 1.828e+02 0.00e+00 - 0 117 118 0
# HA/H 27
334 2.919 7.692 0 U 5.309e+01 0.00e+00 - 0 144 143 0
# HB2/H 32
336 2.919 2.919 0 U 1.165e+05 0.00e+00 - 0 144 144 0
# HB2/HB2 32
337 2.919 4.345 0 U 1.178e+03 0.00e+00 - 0 144 142 0
# HB2/HA 32
339 4.224 2.035 0 U 2.550e+03 0.00e+00 - 0 62 64 0
# HA/HB2 P12
343 4.224 7.663 0 U 1.271e+03 0.00e+00 - 0 62 52 0
# HA P12/H Y13
344 4.224 1.788 0 U 6.036e+02 0.00e+00 - 0 62 65 0
# HA/HG P12
345 3.566 1.701 0 U 4.082e+02 0.00e+00 - 0 61 66 0
# HD2/HB3 P12
346 3.566 2.035 0 U 2.599e+02 0.00e+00 - 0 61 64 0
# HD2/HB2 P12
347 3.566 4.224 0 U 5.618e+02 0.00e+00 - 0 61 62 0
# HD2/HA P12
350 3.566 1.788 0 U 5.526e+02 0.00e+00 - 0 61 65 0
# HD2/HG P12
351 3.566 4.440 0 U 2.033e+03 0.00e+00 - 0 61 26 0
# HD2 P12/HA Q11
353 2.191 4.422 0 U 1.056e+03 0.00e+00 - 0 19 17 0
# HG/HA Q5
357 0.793 1.571 0 U 5.747e+02 0.00e+00 - 0 87 85 0
# HD/HB L1
359 0.793 3.898 0 U 3.575e+03 0.00e+00 - 0 87 86 0
# HD/HA L1
360 3.468 3.646 0 U 2.024e+03 0.00e+00 - 0 57 55 0
# HD3/HD2 P9
361 3.468 3.468 0 U 2.134e+06 0.00e+00 - 0 57 57 0
# HD3/HD3 P9
362 3.468 4.283 0 U 4.672e+02 0.00e+00 - 0 57 56 0
# HD3/HA P9
363 3.468 1.752 0 U 1.632e+03 0.00e+00 - 0 57 60 0
# HD3/HB3 P9
364 3.468 1.863 0 U 2.600e+03 0.00e+00 - 0 57 59 0
# HD3/HG P9
365 3.468 4.524 0 U 2.344e+02 0.00e+00 - 0 57 79 0
# HD3 P9/HA P8
366 3.468 2.135 0 U 2.031e+01 0.00e+00 - 0 57 58 0
# HD3/HB2 P9
367 8.213 2.801 0 U 1.885e+02 0.00e+00 - 0 32 34 0
# H/HB3 8
370 8.213 3.020 0 U 3.615e+01 0.00e+00 - 0 32 33 0
# H/HB2 8
372 3.952 8.029 0 U 8.957e+01 0.00e+00 - 0 132 133 0
# HA/H 30
374 3.952 1.615 0 U 1.852e+02 0.00e+00 - 0 132 137 0
# HA/HB3 30
375 3.952 1.758 0 U 9.022e+01 0.00e+00 - 0 132 136 0
# HA/HB2 30
376 3.952 1.913 0 U 1.837e+01 0.00e+00 - 0 132 135 0
# HA/HG3 30
377 1.809 4.152 0 U 2.428e+03 0.00e+00 - 0 7 3 0
# HB3/HA Q4
378 1.809 8.372 0 U 1.770e+02 0.00e+00 - 0 7 4 0
# HB3/H Q4
379 1.809 1.809 0 U 4.585e+08 0.00e+00 - 0 7 7 0
# HB3/HB3 Q4
382 1.651 1.999 0 U 8.435e+02 0.00e+00 - 0 127 125 0
# HB3/HG3 28
383 1.651 8.101 0 U 1.945e+01 0.00e+00 - 0 127 123 0
# HB3/H 28
387 1.651 1.651 0 U 4.764e+03 0.00e+00 - 0 127 127 0
# HB3/HB3 28
388 2.008 1.605 0 U 3.849e+03 0.00e+00 - 0 75 78 0
# HB2/HB3 P6
390 2.008 3.467 0 U 2.518e+02 0.00e+00 - 0 75 74 0
# HB2/HD3 P6
391 2.008 4.171 0 U 1.756e+03 0.00e+00 - 0 75 73 0
# HB2/HA P6
392 2.008 3.552 0 U 6.618e+02 0.00e+00 - 0 75 72 0
# HB2/HD2 P6
393 2.008 1.801 0 U 1.068e+03 0.00e+00 - 0 75 77 0
# HB2/HG3 P6
395 4.283 8.301 0 U 1.115e+03 0.00e+00 - 0 56 14 0
# HA P9/H Q10
396 4.283 3.468 0 U 7.204e+01 0.00e+00 - 0 56 57 0
# HA/HD3 P9
398 4.283 1.752 0 U 1.988e+02 0.00e+00 - 0 56 60 0
# HA/HB3 P9
399 4.283 1.863 0 U 1.866e+02 0.00e+00 - 0 56 59 0
# HA/HG P9
400 4.283 2.135 0 U 2.389e+03 0.00e+00 - 0 56 58 0
# HA/HB2 P9
401 2.918 4.335 0 U 1.623e+03 0.00e+00 - 0 148 146 0
# HB2/HA 33
402 2.918 2.826 0 U 1.945e+04 0.00e+00 - 0 148 149 0
# HB2/HB3 33
404 2.918 7.596 0 U 4.983e+00 0.00e+00 - 0 148 147 0
# HB2/H 33
405 1.865 8.199 0 U 1.312e+02 0.00e+00 - 0 38 36 0
# HB2/H 9
406 1.865 1.717 0 U 2.721e+03 0.00e+00 - 0 38 39 0
# HB2/HB3 9
408 1.865 1.865 0 U 3.524e+05 0.00e+00 - 0 38 38 0
# HB2/HB2 9
409 1.865 4.424 0 U 8.883e+02 0.00e+00 - 0 38 35 0
# HB2/HA 9
410 8.286 1.821 0 U 2.495e+02 0.00e+00 - 0 18 21 0
# H/HB3 Q5
411 8.286 4.422 0 U 1.124e+02 0.00e+00 - 0 18 17 0
# H/HA Q5
412 8.286 4.152 0 U 2.091e+03 0.00e+00 - 0 18 3 0
# H Q5/HA Q4
414 8.286 8.286 0 U 4.115e+04 0.00e+00 - 0 18 18 0
# H/H Q5
420 3.467 1.605 0 U 4.004e+02 0.00e+00 - 0 74 78 0
# HD3/HB3 P6
421 3.467 4.422 0 U 1.914e+03 0.00e+00 - 0 74 17 0
# HD3 P6/HA Q5
422 3.467 2.008 0 U 3.526e+01 0.00e+00 - 0 74 75 0
# HD3/HB2 P6
424 3.467 4.171 0 U 9.516e+02 0.00e+00 - 0 74 73 0
# HD3/HA P6
426 3.467 1.801 0 U 4.238e+02 0.00e+00 - 0 74 77 0
# HD3/HG3 P6
427 1.723 1.916 0 U 1.664e+03 0.00e+00 - 0 25 76 0
# HB/HG2 Q3
428 1.723 2.189 0 U 1.348e+03 0.00e+00 - 0 25 24 0
# HB/HG Q3
429 1.723 4.176 0 U 5.054e+02 0.00e+00 - 0 25 22 0
# HB/HA Q3
430 1.723 1.723 0 U 5.292e+06 0.00e+00 - 0 25 25 0
# HB/HB Q3
431 1.723 8.283 0 U 1.477e+02 0.00e+00 - 0 25 23 0
# HB/H Q3
433 8.466 4.078 0 U 4.758e+01 0.00e+00 - 0 100 99 0
# H/HA 23
436 3.465 1.701 0 U 4.991e+02 0.00e+00 - 0 63 66 0
# HD3/HB3 P12
437 3.465 2.035 0 U 2.860e+01 0.00e+00 - 0 63 64 0
# HD3/HB2 P12
438 3.465 4.224 0 U 4.920e+02 0.00e+00 - 0 63 62 0
# HD3/HA P12
439 3.465 3.566 0 U 1.316e+04 0.00e+00 - 0 63 61 0
# HD3/HD2 P12
440 3.465 3.465 0 U 1.151e+06 0.00e+00 - 0 63 63 0
# HD3/HD3 P12
441 3.465 1.788 0 U 1.068e+03 0.00e+00 - 0 63 65 0
# HD3/HG P12
442 3.465 4.440 0 U 1.593e+03 0.00e+00 - 0 63 26 0
# HD3 P12/HA Q11
443 2.743 2.743 0 U 1.268e+04 0.00e+00 - 0 116 116 0
# HB3/HB3 26
444 2.743 2.972 0 U 4.386e+03 0.00e+00 - 0 116 115 0
# HB3/HB2 26
445 2.743 4.243 0 U 2.212e+02 0.00e+00 - 0 116 113 0
# HB3/HA 26
446 2.743 8.143 0 U 1.960e+01 0.00e+00 - 0 116 114 0
# HB3/H 26
447 2.252 1.980 0 U 8.760e+01 0.00e+00 - 0 10 11 0
# HG/HB2 3
448 2.252 8.348 0 U 8.718e+01 0.00e+00 - 0 10 9 0
# HG/H 3
451 2.252 4.476 0 U 2.561e+02 0.00e+00 - 0 10 8 0
# HG/HA 3
452 3.898 1.571 0 U 2.121e+03 0.00e+00 - 0 86 85 0
# HA/HB L1
453 3.898 0.793 0 U 3.021e+03 0.00e+00 - 0 86 87 0
# HA/HD L1
455 3.898 8.589 0 U 2.097e+03 0.00e+00 - 0 86 2 0
# HA L1/H G2
456 2.171 1.875 0 U 3.669e+03 0.00e+00 - 0 28 29 0
# HG/HB2 Q11
457 2.171 8.229 0 U 2.746e+02 0.00e+00 - 0 28 27 0
# HG/H Q11
459 2.171 4.440 0 U 1.422e+03 0.00e+00 - 0 28 26 0
# HG/HA Q11
460 2.171 1.739 0 U 2.018e+04 0.00e+00 - 0 28 30 0
# HG/HB3 Q11
461 2.972 2.743 0 U 1.333e+03 0.00e+00 - 0 115 116 0
# HB2/HB3 26
463 2.972 4.243 0 U 3.144e+02 0.00e+00 - 0 115 113 0
# HB2/HA 26
465 1.954 8.166 0 U 4.111e+00 0.00e+00 - 0 110 108 0
# HG3/H 25
466 1.954 4.081 0 U 2.529e+01 0.00e+00 - 0 110 107 0
# HG3/HA 25
467 1.954 1.660 0 U 7.224e+01 0.00e+00 - 0 110 112 0
# HG3/HB3 25
469 1.954 1.811 0 U 5.594e+03 0.00e+00 - 0 110 111 0
# HG3/HB2 25
471 4.722 7.937 0 U 1.216e+01 0.00e+00 - 0 47 48 0
# HA/H F7
473 4.722 2.996 0 U 3.699e+02 0.00e+00 - 0 47 49 0
# HA/HB2 F7
476 4.722 7.161 0 U 2.077e+02 0.00e+00 - 0 47 94 0
# HA/HD F7
479 4.243 2.972 0 U 5.600e+01 0.00e+00 - 0 113 115 0
# HA/HB2 26
481 4.243 8.143 0 U 2.856e+01 0.00e+00 - 0 113 114 0
# HA/H 26
482 1.752 3.646 0 U 5.301e+02 0.00e+00 - 0 60 55 0
# HB3/HD2 P9
483 1.752 3.468 0 U 2.361e+03 0.00e+00 - 0 60 57 0
# HB3/HD3 P9
484 1.752 4.283 0 U 5.311e+02 0.00e+00 - 0 60 56 0
# HB3/HA P9
487 1.752 2.135 0 U 4.592e+03 0.00e+00 - 0 60 58 0
# HB3/HB2 P9
488 1.811 8.166 0 U 5.671e+01 0.00e+00 - 0 111 108 0
# HB2/H 25
489 1.811 4.081 0 U 4.027e+01 0.00e+00 - 0 111 107 0
# HB2/HA 25
493 1.811 2.171 0 U 1.381e+04 0.00e+00 - 0 111 109 0
# HB2/HG2 25
495 7.596 2.826 0 U 4.322e+01 0.00e+00 - 0 147 149 0
# H/HB3 33
500 4.734 4.734 0 U 1.460e+05 0.00e+00 - 0 31 31 0
# HA/HA 8
504 2.751 4.718 0 U 3.218e+02 0.00e+00 - 0 141 138 0
# HB3/HA 31
505 2.751 2.751 0 U 3.127e+05 0.00e+00 - 0 141 141 0
# HB3/HB3 31
506 3.664 1.740 0 U 2.737e+02 0.00e+00 - 0 80 84 0
# HD2/HB3 P8
509 3.664 4.524 0 U 5.445e+02 0.00e+00 - 0 80 79 0
# HD2/HA P8
510 3.664 1.852 0 U 1.104e+03 0.00e+00 - 0 80 83 0
# HD2/HG P8
511 3.664 2.167 0 U 3.081e+02 0.00e+00 - 0 80 82 0
# HD2/HB2 P8
512 3.664 3.402 0 U 4.210e+03 0.00e+00 - 0 80 81 0
# HD2/HD3 P8
514 1.521 3.203 0 U 3.429e+02 0.00e+00 - 0 93 90 0
# HG/HD3 21
516 1.521 3.292 0 U 5.132e+02 0.00e+00 - 0 93 89 0
# HG/HD2 21
518 1.521 4.419 0 U 4.238e+01 0.00e+00 - 0 93 88 0
# HG/HA 21
519 1.863 3.646 0 U 2.370e+03 0.00e+00 - 0 59 55 0
# HG/HD2 P9
520 1.863 3.468 0 U 3.001e+03 0.00e+00 - 0 59 57 0
# HG/HD3 P9
521 1.863 4.283 0 U 8.453e+02 0.00e+00 - 0 59 56 0
# HG/HA P9
524 1.863 2.135 0 U 2.180e+03 0.00e+00 - 0 59 58 0
# HG/HB2 P9
525 1.615 2.094 0 U 2.451e+01 0.00e+00 - 0 137 134 0
# HB3/HG2 30
530 1.615 1.913 0 U 6.828e+02 0.00e+00 - 0 137 135 0
# HB3/HG3 30
531 4.524 1.740 0 U 1.186e+01 0.00e+00 - 0 79 84 0
# HA/HB3 P8
536 4.524 2.167 0 U 1.060e+02 0.00e+00 - 0 79 82 0
# HA/HB2 P8
540 2.231 8.186 0 U 7.779e+01 0.00e+00 - 0 105 104 0
# HG/H 24
541 2.231 4.204 0 U 5.308e+02 0.00e+00 - 0 105 103 0
# HG/HA 24
542 8.589 3.851 0 U 1.133e+03 0.00e+00 - 0 2 1 0
# H/HA G2
543 8.589 1.571 0 U 2.310e+01 0.00e+00 - 0 2 85 0
# H G2/HB L1
544 8.589 3.898 0 U 1.200e+03 0.00e+00 - 0 2 86 0
# H G2/HA L1
546 8.589 8.283 0 U 2.444e+02 0.00e+00 - 0 2 23 0
# H G2/H Q3
547 3.020 2.801 0 U 6.000e+02 0.00e+00 - 0 33 34 0
# HB2/HB3 8
548 3.020 8.213 0 U 3.677e+01 0.00e+00 - 0 33 32 0
# HB2/H 8
549 3.020 4.734 0 U 1.658e+03 0.00e+00 - 0 33 31 0
# HB2/HA 8
551 7.663 2.923 0 U 2.174e+02 0.00e+00 - 0 52 53 0
# H/HB2 Y13
552 7.663 2.823 0 U 5.405e+02 0.00e+00 - 0 52 54 0
# H/HB3 Y13
553 7.663 4.224 0 U 2.043e+03 0.00e+00 - 0 52 62 0
# H Y13/HA P12
555 7.663 4.333 0 U 1.818e+03 0.00e+00 - 0 52 51 0
# H/HA Y13
556 7.663 6.983 0 U 1.058e+03 0.00e+00 - 0 52 95 0
# H/HD Y13
557 7.663 6.674 0 U 6.561e+02 0.00e+00 - 0 52 96 0
# H/HE Y13
558 1.904 4.152 0 U 1.436e+03 0.00e+00 - 0 6 3 0
# HB2/HA Q4
559 1.904 8.372 0 U 2.199e+02 0.00e+00 - 0 6 4 0
# HB2/H Q4
562 1.904 2.185 0 U 1.357e+01 0.00e+00 - 0 6 5 0
# HB2/HG Q4
563 2.192 4.194 0 U 1.505e+03 0.00e+00 - 0 70 68 0
# HB/HA 17
564 2.192 3.276 0 U 1.312e+03 0.00e+00 - 0 70 69 0
# HB/HD3 17
565 2.192 2.192 0 U 5.168e+08 0.00e+00 - 0 70 70 0
# HB/HB 17
567 2.192 3.347 0 U 4.276e+02 0.00e+00 - 0 70 67 0
# HB/HD2 17
568 2.171 8.166 0 U 4.812e+01 0.00e+00 - 0 109 108 0
# HG2/H 25
569 2.171 4.081 0 U 4.809e+02 0.00e+00 - 0 109 107 0
# HG2/HA 25
570 2.171 1.660 0 U 7.916e+01 0.00e+00 - 0 109 112 0
# HG2/HB3 25
572 2.171 1.811 0 U 3.959e+03 0.00e+00 - 0 109 111 0
# HG2/HB2 25
575 8.186 2.231 0 U 3.558e+01 0.00e+00 - 0 104 105 0
# H/HG 24
577 8.186 4.204 0 U 1.770e+02 0.00e+00 - 0 104 103 0
# H/HA 24
578 2.185 4.152 0 U 3.039e+03 0.00e+00 - 0 5 3 0
# HG/HA Q4
579 2.185 8.372 0 U 4.968e+02 0.00e+00 - 0 5 4 0
# HG/H Q4
580 2.185 1.809 0 U 7.957e+03 0.00e+00 - 0 5 7 0
# HG/HB3 Q4
585 4.333 7.663 0 U 9.330e+01 0.00e+00 - 0 51 52 0
# HA/H Y13
587 4.333 6.983 0 U 3.589e+02 0.00e+00 - 0 51 95 0
# HA/HD Y13
588 4.333 6.674 0 U 1.558e+01 0.00e+00 - 0 51 96 0
# HA/HE Y13
589 6.983 2.923 0 U 2.505e+03 0.00e+00 - 0 95 53 0
# HD/HB2 Y13
590 6.983 2.823 0 U 2.550e+03 0.00e+00 - 0 95 54 0
# HD/HB3 Y13
591 6.983 7.663 0 U 1.005e+03 0.00e+00 - 0 95 52 0
# HD/H Y13
592 6.983 4.333 0 U 1.800e+03 0.00e+00 - 0 95 51 0
# HD/HA Y13
594 6.983 6.674 0 U 7.772e+03 0.00e+00 - 0 95 96 0
# HD/HE Y13
595 7.161 7.937 0 U 4.997e+02 0.00e+00 - 0 94 48 0
# HD/H F7
596 7.161 2.750 0 U 1.263e+03 0.00e+00 - 0 94 50 0
# HD/HB3 F7
597 7.161 2.996 0 U 9.004e+02 0.00e+00 - 0 94 49 0
# HD/HB2 F7
598 7.161 4.722 0 U 2.301e+03 0.00e+00 - 0 94 47 0
# HD/HA F7
600 3.292 1.724 0 U 5.441e+02 0.00e+00 - 0 89 91 0
# HD2/HB2 21
602 3.292 1.521 0 U 8.577e+02 0.00e+00 - 0 89 93 0
# HD2/HG 21
604 3.292 1.644 0 U 2.414e+02 0.00e+00 - 0 89 92 0
# HD2/HB3 21
605 3.292 4.419 0 U 5.779e+01 0.00e+00 - 0 89 88 0
# HD2/HA 21
606 4.277 7.958 0 U 7.603e+01 0.00e+00 - 0 44 45 0
# HA/H 11
610 1.644 3.203 0 U 2.653e+02 0.00e+00 - 0 92 90 0
# HB3/HD3 21
612 1.644 3.292 0 U 5.589e+02 0.00e+00 - 0 92 89 0
# HB3/HD2 21
614 1.644 4.419 0 U 1.809e+02 0.00e+00 - 0 92 88 0
# HB3/HA 21
617 4.424 2.159 0 U 8.219e+01 0.00e+00 - 0 35 37 0
# HA/HG 9
620 1.758 2.094 0 U 9.154e+02 0.00e+00 - 0 136 134 0
# HB2/HG2 30
622 1.758 3.952 0 U 9.854e+01 0.00e+00 - 0 136 132 0
# HB2/HA 30
624 1.758 1.758 0 U 4.859e+05 0.00e+00 - 0 136 136 0
# HB2/HB2 30
628 1.788 4.224 0 U 7.501e+02 0.00e+00 - 0 65 62 0
# HG/HA P12
629 1.788 3.566 0 U 1.410e+03 0.00e+00 - 0 65 61 0
# HG/HD2 P12
630 1.788 3.465 0 U 2.691e+03 0.00e+00 - 0 65 63 0
# HG/HD3 P12
633 4.171 7.937 0 U 2.039e+03 0.00e+00 - 0 73 48 0
# HA P6/H F7
634 4.171 2.008 0 U 4.332e+03 0.00e+00 - 0 73 75 0
# HA/HB2 P6
638 4.171 1.801 0 U 9.252e+02 0.00e+00 - 0 73 77 0
# HA/HG3 P6
639 8.143 2.743 0 U 1.164e+02 0.00e+00 - 0 114 116 0
# H/HB3 26
640 8.143 2.972 0 U 3.328e+01 0.00e+00 - 0 114 115 0
# H/HB2 26
641 8.143 4.243 0 U 6.414e+01 0.00e+00 - 0 114 113 0
# H/HA 26
643 2.857 4.378 0 U 4.235e+02 0.00e+00 - 0 43 40 0
# HB3/HA 10
644 2.857 7.994 0 U 5.767e+01 0.00e+00 - 0 43 41 0
# HB3/H 10
647 1.797 1.980 0 U 1.419e+03 0.00e+00 - 0 12 11 0
# HB3/HB2 3
648 1.797 8.348 0 U 1.258e+02 0.00e+00 - 0 12 9 0
# HB3/H 3
649 1.797 2.252 0 U 7.334e+01 0.00e+00 - 0 12 10 0
# HB3/HG 3
651 1.797 4.476 0 U 1.413e+02 0.00e+00 - 0 12 8 0
# HB3/HA 3
652 2.135 3.646 0 U 5.071e+02 0.00e+00 - 0 58 55 0
# HB2/HD2 P9
653 2.135 3.468 0 U 2.657e+02 0.00e+00 - 0 58 57 0
# HB2/HD3 P9
654 2.135 4.283 0 U 2.203e+03 0.00e+00 - 0 58 56 0
# HB2/HA P9
655 2.135 1.752 0 U 8.686e+03 0.00e+00 - 0 58 60 0
# HB2/HB3 P9
656 2.135 1.863 0 U 2.929e+02 0.00e+00 - 0 58 59 0
# HB2/HG P9
658 3.552 1.605 0 U 6.690e+01 0.00e+00 - 0 72 78 0
# HD2/HB3 P6
659 3.552 4.422 0 U 1.871e+03 0.00e+00 - 0 72 17 0
# HD2 P6/HA Q5
660 3.552 2.008 0 U 4.167e+02 0.00e+00 - 0 72 75 0
# HD2/HB2 P6
662 3.552 4.171 0 U 1.042e+03 0.00e+00 - 0 72 73 0
# HD2/HA P6
664 3.552 1.801 0 U 8.891e+02 0.00e+00 - 0 72 77 0
# HD2/HG3 P6
665 1.913 2.094 0 U 4.064e+01 0.00e+00 - 0 135 134 0
# HG3/HG2 30
667 1.913 3.952 0 U 1.387e+02 0.00e+00 - 0 135 132 0
# HG3/HA 30
668 1.913 1.615 0 U 4.956e+01 0.00e+00 - 0 135 137 0
# HG3/HB3 30
669 1.913 1.758 0 U 4.985e+03 0.00e+00 - 0 135 136 0
# HG3/HB2 30
672 1.912 4.422 0 U 1.277e+03 0.00e+00 - 0 20 17 0
# HB2/HA Q5
673 1.912 2.191 0 U 5.237e+03 0.00e+00 - 0 20 19 0
# HB2/HG Q5
674 1.912 8.286 0 U 5.266e+02 0.00e+00 - 0 20 18 0
# HB2/H Q5
675 1.912 1.912 0 U 2.854e+07 0.00e+00 - 0 20 20 0
# HB2/HB2 Q5
676 2.827 7.958 0 U 2.409e+02 0.00e+00 - 0 46 45 0
# HB/H 11
677 2.827 4.277 0 U 9.519e+02 0.00e+00 - 0 46 44 0
# HB/HA 11
678 2.827 2.827 0 U 9.179e+05 0.00e+00 - 0 46 46 0
# HB/HB 11
680 4.476 8.348 0 U 1.082e+02 0.00e+00 - 0 8 9 0
# HA/H 3
684 4.419 1.724 0 U 2.180e+00 0.00e+00 - 0 88 91 0
# HA/HB2 21
687 4.419 3.292 0 U 3.558e+01 0.00e+00 - 0 88 89 0
# HA/HD2 21
691 4.440 8.229 0 U 1.852e+02 0.00e+00 - 0 26 27 0
# HA/H Q11
693 4.440 3.465 0 U 1.067e+02 0.00e+00 - 0 26 63 0
# HA Q11/HD3 P12
694 4.440 2.171 0 U 1.507e+02 0.00e+00 - 0 26 28 0
# HA/HG Q11
697 3.793 8.535 0 U 1.083e+02 0.00e+00 - 0 97 98 0
# HA/H 22
699 2.211 4.134 0 U 1.291e+03 0.00e+00 - 0 15 13 0
# HG/HA Q10
700 2.211 8.301 0 U 3.556e+02 0.00e+00 - 0 15 14 0
# HG/H Q10
701 2.211 1.819 0 U 1.718e+03 0.00e+00 - 0 15 16 0
# HG/HB Q10
702 2.211 2.211 0 U 3.699e+05 0.00e+00 - 0 15 15 0
# HG/HG Q10
704 1.852 3.664 0 U 8.836e+02 0.00e+00 - 0 83 80 0
# HG/HD2 P8
705 1.852 4.524 0 U 2.482e+02 0.00e+00 - 0 83 79 0
# HG/HA P8
707 1.852 2.167 0 U 7.311e+03 0.00e+00 - 0 83 82 0
# HG/HB2 P8
708 1.852 3.402 0 U 1.171e+03 0.00e+00 - 0 83 81 0
# HG/HD3 P8
709 2.167 1.740 0 U 4.228e+03 0.00e+00 - 0 82 84 0
# HB2/HB3 P8
710 2.167 3.664 0 U 6.167e+02 0.00e+00 - 0 82 80 0
# HB2/HD2 P8
711 2.167 4.524 0 U 9.075e+02 0.00e+00 - 0 82 79 0
# HB2/HA P8
713 2.167 2.167 0 U 6.854e+07 0.00e+00 - 0 82 82 0
# HB2/HB2 P8
714 2.167 3.402 0 U 2.402e+02 0.00e+00 - 0 82 81 0
# HB2/HD3 P8
715 4.204 1.944 0 U 2.920e+02 0.00e+00 - 0 103 106 0
# HA/HB 24
716 4.204 2.231 0 U 1.854e+02 0.00e+00 - 0 103 105 0
# HA/HG 24
717 4.204 8.186 0 U 1.675e+02 0.00e+00 - 0 103 104 0
# HA/H 24
720 1.739 8.229 0 U 1.317e+02 0.00e+00 - 0 30 27 0
# HB3/H Q11
722 1.739 4.440 0 U 1.087e+03 0.00e+00 - 0 30 26 0
# HB3/HA Q11
723 1.739 1.739 0 U 8.935e+06 0.00e+00 - 0 30 30 0
# HB3/HB3 Q11
726 1.801 3.467 0 U 2.078e+03 0.00e+00 - 0 77 74 0
# HG3/HD3 P6
728 1.801 3.552 0 U 1.902e+03 0.00e+00 - 0 77 72 0
# HG3/HD2 P6
729 1.801 1.801 0 U 7.519e+07 0.00e+00 - 0 77 77 0
# HG3/HG3 P6
732 1.891 4.161 0 U 1.700e+03 0.00e+00 - 0 120 117 0
# HB2/HA 27
733 1.891 1.891 0 U 3.205e+05 0.00e+00 - 0 120 120 0
# HB2/HB2 27
734 1.891 8.120 0 U 3.061e+01 0.00e+00 - 0 120 118 0
# HB2/H 27
737 8.120 4.161 0 U 1.725e+00 0.00e+00 - 0 118 117 0
# H/HA 27
740 1.807 4.194 0 U 1.613e+03 0.00e+00 - 0 71 68 0
# HG/HA 17
741 1.807 3.276 0 U 3.676e+02 0.00e+00 - 0 71 69 0
# HG/HD3 17
742 1.807 2.192 0 U 1.913e+04 0.00e+00 - 0 71 70 0
# HG/HB 17
744 1.807 3.347 0 U 2.806e+02 0.00e+00 - 0 71 67 0
# HG/HD2 17
745 3.402 1.740 0 U 3.846e+02 0.00e+00 - 0 81 84 0
# HD3/HB3 P8
747 3.402 3.664 0 U 4.921e+03 0.00e+00 - 0 81 80 0
# HD3/HD2 P8
749 3.402 1.852 0 U 6.548e+02 0.00e+00 - 0 81 83 0
# HD3/HG P8
750 3.402 2.167 0 U 9.029e+01 0.00e+00 - 0 81 82 0
# HD3/HB2 P8
752 3.347 4.194 0 U 6.398e+02 0.00e+00 - 0 67 68 0
# HD2/HA 17
754 3.347 2.192 0 U 1.056e+02 0.00e+00 - 0 67 70 0
# HD2/HB 17
755 3.347 1.807 0 U 1.088e+02 0.00e+00 - 0 67 71 0
# HD2/HG 17
757 8.283 1.916 0 U 5.347e+02 0.00e+00 - 0 23 76 0
# H/HG2 Q3
758 8.283 2.189 0 U 1.661e+03 0.00e+00 - 0 23 24 0
# H/HG Q3
759 8.283 3.851 0 U 3.095e+03 0.00e+00 - 0 23 1 0
# H Q3/HA G2
761 8.283 1.723 0 U 2.839e+02 0.00e+00 - 0 23 25 0
# H/HB Q3
762 8.283 8.589 0 U 2.853e+02 0.00e+00 - 0 23 2 0
# H Q3/H G2
765 6.674 2.823 0 U 8.466e+01 0.00e+00 - 0 96 54 0
# HE/HB3 Y13
766 6.674 7.663 0 U 1.250e+03 0.00e+00 - 0 96 52 0
# HE/H Y13
767 6.674 4.333 0 U 5.284e+01 0.00e+00 - 0 96 51 0
# HE/HA Y13
768 6.674 6.983 0 U 6.498e+03 0.00e+00 - 0 96 95 0
# HE/HD Y13
;
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 . . 6132 ppm . . . 4.76 . . 34340 1
1 . . H 1 H . aliased 6132 ppm . . . 4.76 . . 34340 1
stop_
save_