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 34343
_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 1
_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 8.283 8.373 0 U 4.219e+02 0.00e+00 - 0 22 4 0
# H Q3/H Q4
3 8.283 8.587 0 U 2.544e+02 0.00e+00 - 0 22 2 0
# H Q3/H G2
4 8.587 8.283 0 U 5.500e+01 0.00e+00 - 0 2 22 0
# H G2/H Q3
6 3.993 1.801 0 U 2.667e+02 0.00e+00 - 0 105 109 0
# HA/HB2 24
7 3.993 8.111 0 U 1.188e+02 0.00e+00 - 0 105 106 0
# HA/H 24
8 3.993 1.660 0 U 7.182e+01 0.00e+00 - 0 105 110 0
# HA/HB3 24
9 3.993 2.172 0 U 2.314e+02 0.00e+00 - 0 105 107 0
# HA/HG2 24
10 3.993 2.035 0 U 1.198e+02 0.00e+00 - 0 105 108 0
# HA/HG3 24
11 1.928 1.928 0 U 6.760e+07 0.00e+00 - 0 11 11 0
# HB2/HB2 Q5
13 1.928 2.234 0 U 1.354e+03 0.00e+00 - 0 11 10 0
# HB2/HG Q5
14 1.928 8.344 0 U 1.454e+02 0.00e+00 - 0 11 9 0
# HB2/H Q5
15 1.928 4.464 0 U 6.549e+02 0.00e+00 - 0 11 8 0
# HB2/HA Q5
16 2.295 2.295 0 U 1.633e+05 0.00e+00 - 0 48 48 0
# HB2/HB2 12
17 2.295 1.841 0 U 1.981e+02 0.00e+00 - 0 48 49 0
# HB2/HB3 12
18 2.295 4.527 0 U 1.960e+02 0.00e+00 - 0 48 46 0
# HB2/HA 12
19 2.295 8.137 0 U 4.354e+01 0.00e+00 - 0 48 47 0
# HB2/H 12
22 4.527 1.688 0 U 9.718e+01 0.00e+00 - 0 70 116 0
# HA/HB3 P8
24 4.527 1.880 0 U 1.524e+02 0.00e+00 - 0 70 74 0
# HA/HG P8
28 4.527 2.187 0 U 2.177e+02 0.00e+00 - 0 70 73 0
# HA/HB2 P8
32 3.481 1.836 0 U 1.039e+03 0.00e+00 - 0 98 101 0
# HD/HG P6
33 3.481 4.464 0 U 2.247e+03 0.00e+00 - 0 98 8 0
# HD P6/HA Q5
35 3.909 1.579 0 U 2.723e+03 0.00e+00 - 0 92 91 0
# HA/HB2 L1
36 3.909 8.587 0 U 1.874e+03 0.00e+00 - 0 92 2 0
# HA L1/H G2
37 3.909 0.792 0 U 2.692e+03 0.00e+00 - 0 92 93 0
# HA/HD L1
38 4.424 4.424 0 U 3.121e+03 0.00e+00 - 0 51 51 0
# HA/HA 13
39 4.424 2.873 0 U 6.412e+01 0.00e+00 - 0 51 54 0
# HA/HB3 13
40 4.424 8.128 0 U 9.819e+00 0.00e+00 - 0 51 52 0
# HA/H 13
41 4.424 3.011 0 U 2.826e+01 0.00e+00 - 0 51 53 0
# HA/HB2 13
42 1.922 1.922 0 U 4.891e+07 0.00e+00 - 0 103 103 0
# HB2/HB2 Q10
44 1.922 8.271 0 U 1.104e+02 0.00e+00 - 0 103 26 0
# HB2/H Q10
45 1.922 2.300 0 U 3.878e+02 0.00e+00 - 0 103 27 0
# HB2/HG2 Q10
46 1.922 4.112 0 U 6.664e+02 0.00e+00 - 0 103 25 0
# HB2/HA Q10
48 4.424 4.424 0 U 3.121e+03 0.00e+00 - 0 55 55 0
# HA/HA 14
50 4.424 3.006 0 U 2.822e+01 0.00e+00 - 0 55 57 0
# HA/HB2 14
51 4.424 8.038 0 U 1.785e+01 0.00e+00 - 0 55 56 0
# HA/H 14
53 2.318 4.156 0 U 6.680e+02 0.00e+00 - 0 40 38 0
# HB/HA 10
54 2.318 1.763 0 U 2.285e+02 0.00e+00 - 0 40 41 0
# HB/HG 10
55 2.318 8.217 0 U 1.242e+02 0.00e+00 - 0 40 39 0
# HB/H 10
57 1.804 2.302 0 U 2.364e+02 0.00e+00 - 0 16 15 0
# HG/HB2 4
58 1.804 4.190 0 U 2.067e+03 0.00e+00 - 0 16 13 0
# HG/HA 4
59 1.804 8.328 0 U 1.187e+01 0.00e+00 - 0 16 14 0
# HG/H 4
61 2.173 2.173 0 U 6.791e+06 0.00e+00 - 0 113 113 0
# HG/HG 25
62 2.173 4.321 0 U 2.102e+02 0.00e+00 - 0 113 111 0
# HG/HA 25
63 2.173 8.060 0 U 1.613e+01 0.00e+00 - 0 113 112 0
# HG/H 25
64 2.173 1.666 0 U 2.799e+03 0.00e+00 - 0 113 115 0
# HG/HB3 25
65 2.173 1.846 0 U 4.317e+02 0.00e+00 - 0 113 114 0
# HG/HB2 25
67 1.704 1.941 0 U 3.115e+03 0.00e+00 - 0 94 90 0
# HG2/HB3 21
68 1.704 2.075 0 U 2.041e+03 0.00e+00 - 0 94 89 0
# HG2/HB2 21
69 1.704 1.465 0 U 1.635e+01 0.00e+00 - 0 94 95 0
# HG2/HG3 21
70 1.704 3.279 0 U 3.467e+02 0.00e+00 - 0 94 88 0
# HG2/HD3 21
71 1.704 3.333 0 U 2.858e+02 0.00e+00 - 0 94 87 0
# HG2/HD2 21
72 1.704 4.417 0 U 2.358e+02 0.00e+00 - 0 94 86 0
# HG2/HA 21
73 1.941 1.704 0 U 4.854e+02 0.00e+00 - 0 90 94 0
# HB3/HG2 21
74 1.941 1.941 0 U 1.947e+06 0.00e+00 - 0 90 90 0
# HB3/HB3 21
77 1.941 3.279 0 U 1.290e+02 0.00e+00 - 0 90 88 0
# HB3/HD3 21
78 1.941 3.333 0 U 1.285e+02 0.00e+00 - 0 90 87 0
# HB3/HD2 21
79 1.941 4.417 0 U 3.874e+02 0.00e+00 - 0 90 86 0
# HB3/HA 21
80 1.688 4.527 0 U 3.545e+02 0.00e+00 - 0 116 70 0
# HB3/HA P8
82 1.688 3.456 0 U 4.242e+02 0.00e+00 - 0 116 72 0
# HB3/HD3 P8
83 1.688 1.880 0 U 3.688e+03 0.00e+00 - 0 116 74 0
# HB3/HG P8
84 1.688 3.662 0 U 1.097e+02 0.00e+00 - 0 116 71 0
# HB3/HD2 P8
85 1.688 2.187 0 U 1.045e+03 0.00e+00 - 0 116 73 0
# HB3/HB2 P8
86 2.873 4.424 0 U 4.692e+02 0.00e+00 - 0 54 51 0
# HB3/HA 13
88 2.873 8.128 0 U 3.769e+01 0.00e+00 - 0 54 52 0
# HB3/H 13
89 2.873 3.011 0 U 3.137e+02 0.00e+00 - 0 54 53 0
# HB3/HB2 13
90 8.283 8.283 0 U 2.537e+06 0.00e+00 - 0 22 22 0
# H/H Q3
91 8.283 1.809 0 U 2.242e+02 0.00e+00 - 0 22 96 0
# H/HB3 Q3
92 8.283 4.193 0 U 6.364e+02 0.00e+00 - 0 22 21 0
# H/HA Q3
93 8.283 1.931 0 U 1.651e+02 0.00e+00 - 0 22 24 0
# H/HB2 Q3
94 8.283 2.206 0 U 3.234e+02 0.00e+00 - 0 22 23 0
# H/HG Q3
95 8.283 3.854 0 U 1.352e+03 0.00e+00 - 0 22 1 0
# H Q3/HA G2
98 2.194 8.271 0 U 2.745e+02 0.00e+00 - 0 28 26 0
# HG3/H Q10
99 2.194 2.300 0 U 7.457e+00 0.00e+00 - 0 28 27 0
# HG3/HG2 Q10
100 2.194 4.112 0 U 1.165e+03 0.00e+00 - 0 28 25 0
# HG3/HA Q10
101 2.194 1.807 0 U 5.927e+03 0.00e+00 - 0 28 29 0
# HG3/HB3 Q10
103 7.737 2.931 0 U 1.736e+02 0.00e+00 - 0 67 68 0
# H/HB2 17
104 7.737 4.403 0 U 2.543e+02 0.00e+00 - 0 67 66 0
# H/HA 17
105 7.737 2.860 0 U 1.869e+02 0.00e+00 - 0 67 69 0
# H/HB3 17
106 1.809 8.283 0 U 1.342e+02 0.00e+00 - 0 96 22 0
# HB3/H Q3
110 1.809 2.206 0 U 1.923e+03 0.00e+00 - 0 96 23 0
# HB3/HG Q3
112 7.828 2.933 0 U 2.332e+02 0.00e+00 - 0 63 64 0
# H/HB2 Y13
113 7.828 4.392 0 U 3.231e+02 0.00e+00 - 0 63 62 0
# H/HA Y13
114 7.828 2.848 0 U 4.264e+02 0.00e+00 - 0 63 65 0
# H/HB3 Y13
115 7.828 6.985 0 U 6.317e+02 0.00e+00 - 0 63 102 0
# H/HD Y13
116 7.828 6.680 0 U 3.958e+02 0.00e+00 - 0 63 104 0
# H/HE Y13
117 7.828 4.222 0 U 1.737e+03 0.00e+00 - 0 63 81 0
# H Y13/HA P12
120 2.131 4.246 0 U 1.571e+03 0.00e+00 - 0 78 75 0
# HB2/HA P9
121 2.131 1.754 0 U 3.499e+03 0.00e+00 - 0 78 79 0
# HB2/HB3 P9
122 2.131 3.477 0 U 2.256e+02 0.00e+00 - 0 78 77 0
# HB2/HD3 P9
123 2.131 3.641 0 U 6.396e+02 0.00e+00 - 0 78 76 0
# HB2/HD2 P9
124 2.121 3.481 0 U 2.231e+02 0.00e+00 - 0 100 98 0
# HB/HD P6
126 2.121 4.237 0 U 2.682e+03 0.00e+00 - 0 100 99 0
# HB/HA P6
128 3.456 4.527 0 U 5.093e+02 0.00e+00 - 0 72 70 0
# HD3/HA P8
129 3.456 1.688 0 U 3.893e+02 0.00e+00 - 0 72 116 0
# HD3/HB3 P8
131 3.456 1.880 0 U 1.639e+03 0.00e+00 - 0 72 74 0
# HD3/HG P8
132 3.456 3.662 0 U 9.777e+03 0.00e+00 - 0 72 71 0
# HD3/HD2 P8
133 3.456 4.431 0 U 1.728e+03 0.00e+00 - 0 72 30 0
# HD3 P8/HA A7
134 3.456 1.185 0 U 8.884e+02 0.00e+00 - 0 72 32 0
# HD3 P8/HB A7
135 3.456 2.187 0 U 5.467e+02 0.00e+00 - 0 72 73 0
# HD3/HB2 P8
136 2.933 7.828 0 U 1.821e+02 0.00e+00 - 0 64 63 0
# HB2/H Y13
138 2.933 4.392 0 U 5.266e+02 0.00e+00 - 0 64 62 0
# HB2/HA Y13
140 2.933 6.985 0 U 1.887e+03 0.00e+00 - 0 64 102 0
# HB2/HD Y13
141 2.933 6.680 0 U 3.220e+02 0.00e+00 - 0 64 104 0
# HB2/HE Y13
142 8.271 1.922 0 U 3.561e+02 0.00e+00 - 0 26 103 0
# H/HB2 Q10
143 8.271 2.194 0 U 6.380e+02 0.00e+00 - 0 26 28 0
# H/HG3 Q10
144 8.271 8.271 0 U 1.724e+05 0.00e+00 - 0 26 26 0
# H/H Q10
145 8.271 2.300 0 U 2.271e+02 0.00e+00 - 0 26 27 0
# H/HG2 Q10
146 8.271 4.112 0 U 1.320e+03 0.00e+00 - 0 26 25 0
# H/HA Q10
147 8.271 4.246 0 U 3.598e+03 0.00e+00 - 0 26 75 0
# H Q10/HA P9
148 8.271 1.807 0 U 5.816e+02 0.00e+00 - 0 26 29 0
# H/HB3 Q10
149 1.880 4.527 0 U 6.674e+02 0.00e+00 - 0 74 70 0
# HG/HA P8
151 1.880 3.456 0 U 2.313e+03 0.00e+00 - 0 74 72 0
# HG/HD3 P8
153 1.880 3.662 0 U 2.761e+03 0.00e+00 - 0 74 71 0
# HG/HD2 P8
154 1.880 2.187 0 U 4.487e+03 0.00e+00 - 0 74 73 0
# HG/HB2 P8
155 1.801 3.993 0 U 1.972e+02 0.00e+00 - 0 109 105 0
# HB2/HA 24
156 1.801 1.801 0 U 8.621e+06 0.00e+00 - 0 109 109 0
# HB2/HB2 24
157 1.801 8.111 0 U 3.768e+01 0.00e+00 - 0 109 106 0
# HB2/H 24
159 1.801 2.172 0 U 1.265e+03 0.00e+00 - 0 109 107 0
# HB2/HG2 24
162 8.228 4.237 0 U 3.229e+03 0.00e+00 - 0 31 99 0
# H A7/HA P6
163 8.228 4.431 0 U 8.131e+02 0.00e+00 - 0 31 30 0
# H/HA A7
164 8.228 1.185 0 U 4.994e+02 0.00e+00 - 0 31 32 0
# H/HB A7
165 4.321 2.173 0 U 3.670e+02 0.00e+00 - 0 111 113 0
# HA/HG 25
167 4.321 8.060 0 U 3.799e+01 0.00e+00 - 0 111 112 0
# HA/H 25
168 4.321 1.666 0 U 1.309e+02 0.00e+00 - 0 111 115 0
# HA/HB3 25
169 4.321 1.846 0 U 2.191e+02 0.00e+00 - 0 111 114 0
# HA/HB2 25
170 1.579 3.909 0 U 8.864e+02 0.00e+00 - 0 91 92 0
# HB2/HA L1
172 1.579 8.587 0 U 1.483e+02 0.00e+00 - 0 91 2 0
# HB2 L1/H G2
173 1.579 0.792 0 U 6.293e+02 0.00e+00 - 0 91 93 0
# HB2/HD L1
174 4.392 7.828 0 U 4.320e+01 0.00e+00 - 0 62 63 0
# HA/H Y13
175 4.392 2.933 0 U 6.508e+01 0.00e+00 - 0 62 64 0
# HA/HB2 Y13
178 4.392 6.985 0 U 3.472e+02 0.00e+00 - 0 62 102 0
# HA/HD Y13
179 4.392 6.680 0 U 2.576e+02 0.00e+00 - 0 62 104 0
# HA/HE Y13
180 4.237 3.481 0 U 8.403e+01 0.00e+00 - 0 99 98 0
# HA/HD P6
182 4.237 8.228 0 U 1.780e+03 0.00e+00 - 0 99 31 0
# HA P6/H A7
184 4.237 1.836 0 U 2.771e+02 0.00e+00 - 0 99 101 0
# HA/HG P6
185 8.128 4.424 0 U 3.082e+02 0.00e+00 - 0 52 51 0
# H/HA 13
186 8.128 2.873 0 U 9.922e+01 0.00e+00 - 0 52 54 0
# H/HB3 13
188 8.128 3.011 0 U 2.950e+01 0.00e+00 - 0 52 53 0
# H/HB2 13
189 2.302 1.804 0 U 3.169e+03 0.00e+00 - 0 15 16 0
# HB2/HG 4
190 2.302 2.302 0 U 1.818e+05 0.00e+00 - 0 15 15 0
# HB2/HB2 4
191 2.302 4.190 0 U 1.382e+03 0.00e+00 - 0 15 13 0
# HB2/HA 4
192 2.302 8.328 0 U 9.632e+01 0.00e+00 - 0 15 14 0
# HB2/H 4
193 2.302 1.924 0 U 4.704e+02 0.00e+00 - 0 15 17 0
# HB2/HB3 4
195 1.726 8.236 0 U 2.550e+02 0.00e+00 - 0 37 34 0
# HB/H Q11
196 1.726 4.540 0 U 6.784e+02 0.00e+00 - 0 37 117 0
# HB/HA Q11
197 1.726 2.176 0 U 3.302e+03 0.00e+00 - 0 37 35 0
# HB/HG Q11
198 4.156 2.318 0 U 3.351e+02 0.00e+00 - 0 38 40 0
# HA/HB 10
200 4.156 1.763 0 U 2.249e+02 0.00e+00 - 0 38 41 0
# HA/HG 10
201 4.156 8.217 0 U 3.817e+02 0.00e+00 - 0 38 39 0
# HA/H 10
202 8.111 3.993 0 U 1.799e+02 0.00e+00 - 0 106 105 0
# H/HA 24
203 8.111 1.801 0 U 1.938e+02 0.00e+00 - 0 106 109 0
# H/HB2 24
205 8.111 1.660 0 U 9.828e+01 0.00e+00 - 0 106 110 0
# H/HB3 24
206 8.111 2.172 0 U 3.194e+02 0.00e+00 - 0 106 107 0
# H/HG2 24
207 8.111 2.035 0 U 8.323e+01 0.00e+00 - 0 106 108 0
# H/HG3 24
208 1.804 1.928 0 U 6.945e+05 0.00e+00 - 0 12 11 0
# HB3/HB2 Q5
210 1.804 2.234 0 U 1.161e+03 0.00e+00 - 0 12 10 0
# HB3/HG Q5
211 1.804 8.344 0 U 2.263e+02 0.00e+00 - 0 12 9 0
# HB3/H Q5
212 1.804 4.464 0 U 3.838e+02 0.00e+00 - 0 12 8 0
# HB3/HA Q5
213 2.931 7.737 0 U 1.580e+02 0.00e+00 - 0 68 67 0
# HB2/H 17
215 2.931 4.403 0 U 1.367e+03 0.00e+00 - 0 68 66 0
# HB2/HA 17
216 2.931 2.860 0 U 1.498e+02 0.00e+00 - 0 68 69 0
# HB2/HB3 17
217 2.234 1.928 0 U 6.569e+02 0.00e+00 - 0 10 11 0
# HG/HB2 Q5
218 2.234 1.804 0 U 3.137e+02 0.00e+00 - 0 10 12 0
# HG/HB3 Q5
220 2.234 8.344 0 U 2.044e+02 0.00e+00 - 0 10 9 0
# HG/H Q5
221 2.234 4.464 0 U 1.038e+03 0.00e+00 - 0 10 8 0
# HG/HA Q5
222 4.193 8.283 0 U 8.081e+02 0.00e+00 - 0 21 22 0
# HA/H Q3
223 4.193 1.809 0 U 1.275e+03 0.00e+00 - 0 21 96 0
# HA/HB3 Q3
224 4.193 4.193 0 U 3.686e+04 0.00e+00 - 0 21 21 0
# HA/HA Q3
226 4.193 2.206 0 U 1.120e+03 0.00e+00 - 0 21 23 0
# HA/HG Q3
227 4.193 8.373 0 U 6.865e+02 0.00e+00 - 0 21 4 0
# HA Q3/H Q4
228 1.763 2.318 0 U 3.243e+02 0.00e+00 - 0 41 40 0
# HG/HB 10
229 1.763 4.156 0 U 6.314e+02 0.00e+00 - 0 41 38 0
# HG/HA 10
231 1.763 8.217 0 U 1.531e+02 0.00e+00 - 0 41 39 0
# HG/H 10
232 2.848 7.828 0 U 8.074e+01 0.00e+00 - 0 65 63 0
# HB3/H Y13
234 2.848 4.392 0 U 6.946e+02 0.00e+00 - 0 65 62 0
# HB3/HA Y13
236 2.848 6.985 0 U 8.388e+02 0.00e+00 - 0 65 102 0
# HB3/HD Y13
237 2.848 6.680 0 U 3.219e+02 0.00e+00 - 0 65 104 0
# HB3/HE Y13
238 4.403 7.737 0 U 4.411e+01 0.00e+00 - 0 66 67 0
# HA/H 17
239 4.403 2.931 0 U 3.728e+01 0.00e+00 - 0 66 68 0
# HA/HB2 17
242 2.075 1.704 0 U 2.894e+03 0.00e+00 - 0 89 94 0
# HB2/HG2 21
245 2.075 1.465 0 U 5.904e+01 0.00e+00 - 0 89 95 0
# HB2/HG3 21
246 2.075 3.279 0 U 1.493e+02 0.00e+00 - 0 89 88 0
# HB2/HD3 21
247 2.075 3.333 0 U 8.854e+01 0.00e+00 - 0 89 87 0
# HB2/HD2 21
248 2.075 4.417 0 U 3.722e+02 0.00e+00 - 0 89 86 0
# HB2/HA 21
249 2.860 7.737 0 U 1.357e+02 0.00e+00 - 0 69 67 0
# HB3/H 17
251 2.860 4.403 0 U 5.819e+02 0.00e+00 - 0 69 66 0
# HB3/HA 17
253 1.702 1.702 0 U 6.385e+05 0.00e+00 - 0 84 84 0
# HB3/HB3 P12
254 1.702 2.034 0 U 5.559e+03 0.00e+00 - 0 84 83 0
# HB3/HB2 P12
256 1.702 4.222 0 U 6.973e+02 0.00e+00 - 0 84 81 0
# HB3/HA P12
257 1.702 3.566 0 U 4.744e+02 0.00e+00 - 0 84 82 0
# HB3/HD2 P12
258 1.702 3.476 0 U 7.770e+02 0.00e+00 - 0 84 97 0
# HB3/HD3 P12
259 4.190 1.804 0 U 3.104e+02 0.00e+00 - 0 13 16 0
# HA/HG 4
260 4.190 2.302 0 U 5.634e+02 0.00e+00 - 0 13 15 0
# HA/HB2 4
262 4.190 8.328 0 U 8.470e+02 0.00e+00 - 0 13 14 0
# HA/H 4
263 4.190 1.924 0 U 1.496e+03 0.00e+00 - 0 13 17 0
# HA/HB3 4
264 2.196 2.196 0 U 4.354e+06 0.00e+00 - 0 5 5 0
# HG/HG Q4
265 2.196 1.824 0 U 4.317e+03 0.00e+00 - 0 5 7 0
# HG/HB3 Q4
266 2.196 4.163 0 U 2.263e+03 0.00e+00 - 0 5 3 0
# HG/HA Q4
267 2.196 8.373 0 U 2.874e+02 0.00e+00 - 0 5 4 0
# HG/H Q4
270 1.132 4.222 0 U 3.817e+02 0.00e+00 - 0 61 59 0
# HB/HA 15
271 1.132 7.926 0 U 2.477e+01 0.00e+00 - 0 61 60 0
# HB/H 15
272 8.344 1.928 0 U 1.929e+02 0.00e+00 - 0 9 11 0
# H/HB2 Q5
273 8.344 1.804 0 U 2.968e+02 0.00e+00 - 0 9 12 0
# H/HB3 Q5
274 8.344 2.234 0 U 1.873e+02 0.00e+00 - 0 9 10 0
# H/HG Q5
276 8.344 4.163 0 U 1.402e+03 0.00e+00 - 0 9 3 0
# H Q5/HA Q4
277 8.344 4.464 0 U 1.359e+02 0.00e+00 - 0 9 8 0
# H/HA Q5
278 2.300 1.922 0 U 4.701e+02 0.00e+00 - 0 27 103 0
# HG2/HB2 Q10
280 2.300 8.271 0 U 2.395e+02 0.00e+00 - 0 27 26 0
# HG2/H Q10
282 2.300 4.112 0 U 4.070e+02 0.00e+00 - 0 27 25 0
# HG2/HA Q10
284 2.892 4.424 0 U 3.265e+02 0.00e+00 - 0 58 55 0
# HB3/HA 14
287 2.892 8.038 0 U 3.087e+01 0.00e+00 - 0 58 56 0
# HB3/H 14
288 6.985 7.828 0 U 4.762e+02 0.00e+00 - 0 102 63 0
# HD/H Y13
289 6.985 2.933 0 U 2.518e+03 0.00e+00 - 0 102 64 0
# HD/HB2 Y13
290 6.985 4.392 0 U 1.578e+03 0.00e+00 - 0 102 62 0
# HD/HA Y13
291 6.985 2.848 0 U 2.679e+03 0.00e+00 - 0 102 65 0
# HD/HB3 Y13
293 6.985 6.680 0 U 4.520e+03 0.00e+00 - 0 102 104 0
# HD/HE Y13
294 4.112 1.922 0 U 9.480e+02 0.00e+00 - 0 25 103 0
# HA/HB2 Q10
295 4.112 2.194 0 U 1.175e+03 0.00e+00 - 0 25 28 0
# HA/HG3 Q10
296 4.112 8.271 0 U 3.705e+02 0.00e+00 - 0 25 26 0
# HA/H Q10
297 4.112 2.300 0 U 9.711e+01 0.00e+00 - 0 25 27 0
# HA/HG2 Q10
299 4.112 8.236 0 U 8.599e+02 0.00e+00 - 0 25 34 0
# HA Q10/H Q11
300 4.112 1.807 0 U 1.048e+02 0.00e+00 - 0 25 29 0
# HA/HB3 Q10
301 1.841 2.295 0 U 1.316e+03 0.00e+00 - 0 49 48 0
# HB3/HB2 12
302 1.841 1.841 0 U 7.472e+05 0.00e+00 - 0 49 49 0
# HB3/HB3 12
303 1.841 4.527 0 U 6.358e+02 0.00e+00 - 0 49 46 0
# HB3/HA 12
304 1.841 8.137 0 U 2.741e+01 0.00e+00 - 0 49 47 0
# HB3/H 12
306 8.328 1.804 0 U 3.025e+02 0.00e+00 - 0 14 16 0
# H/HG 4
307 8.328 2.302 0 U 2.349e+02 0.00e+00 - 0 14 15 0
# H/HB2 4
308 8.328 4.190 0 U 1.012e+03 0.00e+00 - 0 14 13 0
# H/HA 4
310 8.328 1.924 0 U 2.208e+02 0.00e+00 - 0 14 17 0
# H/HB3 4
311 4.527 2.295 0 U 5.578e+01 0.00e+00 - 0 46 48 0
# HA/HB2 12
312 4.527 1.841 0 U 2.196e+02 0.00e+00 - 0 46 49 0
# HA/HB3 12
314 4.527 8.137 0 U 3.070e+01 0.00e+00 - 0 46 47 0
# HA/H 12
315 4.527 1.671 0 U 4.900e+00 0.00e+00 - 0 46 50 0
# HA/HG 12
316 3.662 4.527 0 U 1.749e+03 0.00e+00 - 0 71 70 0
# HD2/HA P8
317 3.662 1.688 0 U 2.534e+02 0.00e+00 - 0 71 116 0
# HD2/HB3 P8
318 3.662 3.456 0 U 9.504e+03 0.00e+00 - 0 71 72 0
# HD2/HD3 P8
319 3.662 1.880 0 U 6.160e+02 0.00e+00 - 0 71 74 0
# HD2/HG P8
321 3.662 4.431 0 U 2.362e+03 0.00e+00 - 0 71 30 0
# HD2 P8/HA A7
322 3.662 2.187 0 U 4.325e+02 0.00e+00 - 0 71 73 0
# HD2/HB2 P8
323 8.137 2.295 0 U 1.723e+02 0.00e+00 - 0 47 48 0
# H/HB2 12
324 8.137 1.841 0 U 2.088e+02 0.00e+00 - 0 47 49 0
# H/HB3 12
325 8.137 4.527 0 U 1.346e+01 0.00e+00 - 0 47 46 0
# H/HA 12
326 8.137 8.137 0 U 4.004e+02 0.00e+00 - 0 47 47 0
# H/H 12
327 8.137 1.671 0 U 1.463e+02 0.00e+00 - 0 47 50 0
# H/HG 12
329 1.667 8.173 0 U 2.199e+01 0.00e+00 - 0 45 43 0
# HG/H 11
330 1.667 4.511 0 U 1.865e+02 0.00e+00 - 0 45 42 0
# HG/HA 11
331 1.667 2.302 0 U 2.587e+02 0.00e+00 - 0 45 44 0
# HG/HB 11
332 8.173 1.667 0 U 1.649e+02 0.00e+00 - 0 43 45 0
# H/HG 11
334 8.173 4.511 0 U 1.182e+02 0.00e+00 - 0 43 42 0
# H/HA 11
335 8.173 2.302 0 U 1.625e+02 0.00e+00 - 0 43 44 0
# H/HB 11
336 1.660 3.993 0 U 1.469e+02 0.00e+00 - 0 110 105 0
# HB3/HA 24
338 1.660 8.111 0 U 8.803e+00 0.00e+00 - 0 110 106 0
# HB3/H 24
340 1.660 2.172 0 U 5.698e+02 0.00e+00 - 0 110 107 0
# HB3/HG2 24
341 1.660 2.035 0 U 2.254e+03 0.00e+00 - 0 110 108 0
# HB3/HG3 24
342 4.431 3.456 0 U 1.190e+02 0.00e+00 - 0 30 72 0
# HA A7/HD3 P8
343 4.431 8.228 0 U 7.264e+01 0.00e+00 - 0 30 31 0
# HA/H A7
344 4.431 3.662 0 U 1.597e+01 0.00e+00 - 0 30 71 0
# HA A7/HD2 P8
346 4.431 1.185 0 U 2.442e+01 0.00e+00 - 0 30 32 0
# HA/HB A7
347 1.824 2.196 0 U 3.803e+03 0.00e+00 - 0 7 5 0
# HB3/HG Q4
348 1.824 1.824 0 U 9.990e+05 0.00e+00 - 0 7 7 0
# HB3/HB3 Q4
349 1.824 4.163 0 U 7.406e+02 0.00e+00 - 0 7 3 0
# HB3/HA Q4
350 1.824 8.373 0 U 9.654e+01 0.00e+00 - 0 7 4 0
# HB3/H Q4
352 8.236 1.726 0 U 3.748e+02 0.00e+00 - 0 34 37 0
# H/HB Q11
353 8.236 4.112 0 U 1.284e+03 0.00e+00 - 0 34 25 0
# H Q11/HA Q10
354 8.236 8.236 0 U 1.529e+04 0.00e+00 - 0 34 34 0
# H/H Q11
356 8.236 2.176 0 U 4.740e+02 0.00e+00 - 0 34 35 0
# H/HG Q11
357 8.060 2.173 0 U 2.981e+02 0.00e+00 - 0 112 113 0
# H/HG 25
358 8.060 4.321 0 U 2.070e+01 0.00e+00 - 0 112 111 0
# H/HA 25
360 8.060 1.666 0 U 1.383e+02 0.00e+00 - 0 112 115 0
# H/HB3 25
361 8.060 1.846 0 U 2.247e+02 0.00e+00 - 0 112 114 0
# H/HB2 25
362 1.465 1.704 0 U 3.420e+02 0.00e+00 - 0 95 94 0
# HG3/HG2 21
363 1.465 1.941 0 U 4.879e+02 0.00e+00 - 0 95 90 0
# HG3/HB3 21
364 1.465 2.075 0 U 1.782e+02 0.00e+00 - 0 95 89 0
# HG3/HB2 21
366 1.465 3.279 0 U 9.320e+01 0.00e+00 - 0 95 88 0
# HG3/HD3 21
367 1.465 3.333 0 U 1.794e+02 0.00e+00 - 0 95 87 0
# HG3/HD2 21
368 1.465 4.417 0 U 9.051e+01 0.00e+00 - 0 95 86 0
# HG3/HA 21
369 4.540 1.726 0 U 1.758e+02 0.00e+00 - 0 117 37 0
# HA/HB Q11
370 4.540 8.236 0 U 1.166e+02 0.00e+00 - 0 117 34 0
# HA/H Q11
372 4.540 2.176 0 U 1.937e+02 0.00e+00 - 0 117 35 0
# HA/HG Q11
373 1.853 2.131 0 U 5.900e+02 0.00e+00 - 0 80 78 0
# HG/HB2 P9
375 1.853 4.246 0 U 1.567e+03 0.00e+00 - 0 80 75 0
# HG/HA P9
377 1.853 3.477 0 U 4.079e+03 0.00e+00 - 0 80 77 0
# HG/HD3 P9
378 1.853 3.641 0 U 3.598e+03 0.00e+00 - 0 80 76 0
# HG/HD2 P9
379 1.931 8.283 0 U 2.351e+02 0.00e+00 - 0 24 22 0
# HB2/H Q3
380 1.931 1.809 0 U 2.287e+05 0.00e+00 - 0 24 96 0
# HB2/HB3 Q3
381 1.931 4.193 0 U 7.500e+02 0.00e+00 - 0 24 21 0
# HB2/HA Q3
384 8.217 2.318 0 U 1.454e+02 0.00e+00 - 0 39 40 0
# H/HB 10
385 8.217 4.156 0 U 3.270e+02 0.00e+00 - 0 39 38 0
# H/HA 10
386 8.217 1.763 0 U 2.553e+02 0.00e+00 - 0 39 41 0
# H/HG 10
388 4.246 2.131 0 U 6.244e+03 0.00e+00 - 0 75 78 0
# HA/HB2 P9
389 4.246 8.271 0 U 1.400e+03 0.00e+00 - 0 75 26 0
# HA P9/H Q10
390 4.246 1.853 0 U 8.390e+02 0.00e+00 - 0 75 80 0
# HA/HG P9
392 4.246 1.754 0 U 3.186e+02 0.00e+00 - 0 75 79 0
# HA/HB3 P9
393 4.246 3.477 0 U 7.232e+01 0.00e+00 - 0 75 77 0
# HA/HD3 P9
395 2.034 1.702 0 U 5.195e+03 0.00e+00 - 0 83 84 0
# HB2/HB3 P12
397 2.034 1.801 0 U 1.481e+04 0.00e+00 - 0 83 85 0
# HB2/HG P12
398 2.034 4.222 0 U 2.804e+03 0.00e+00 - 0 83 81 0
# HB2/HA P12
399 2.034 3.566 0 U 5.603e+02 0.00e+00 - 0 83 82 0
# HB2/HD2 P12
400 2.034 3.476 0 U 3.756e+02 0.00e+00 - 0 83 97 0
# HB2/HD3 P12
401 4.222 1.132 0 U 6.951e+01 0.00e+00 - 0 59 61 0
# HA/HB 15
403 4.222 7.926 0 U 5.005e+01 0.00e+00 - 0 59 60 0
# HA/H 15
404 4.511 1.667 0 U 8.125e+01 0.00e+00 - 0 42 45 0
# HA/HG 11
405 4.511 8.173 0 U 5.908e+01 0.00e+00 - 0 42 43 0
# HA/H 11
407 4.511 2.302 0 U 6.454e+01 0.00e+00 - 0 42 44 0
# HA/HB 11
408 3.279 1.704 0 U 2.989e+02 0.00e+00 - 0 88 94 0
# HD3/HG2 21
409 3.279 1.941 0 U 6.445e+01 0.00e+00 - 0 88 90 0
# HD3/HB3 21
410 3.279 2.075 0 U 1.339e+02 0.00e+00 - 0 88 89 0
# HD3/HB2 21
411 3.279 1.465 0 U 1.832e+02 0.00e+00 - 0 88 95 0
# HD3/HG3 21
414 3.279 4.417 0 U 1.525e+02 0.00e+00 - 0 88 86 0
# HD3/HA 21
415 1.836 3.481 0 U 1.377e+03 0.00e+00 - 0 101 98 0
# HG/HD P6
416 1.836 2.121 0 U 5.173e+03 0.00e+00 - 0 101 100 0
# HG/HB P6
417 1.836 4.237 0 U 9.246e+02 0.00e+00 - 0 101 99 0
# HG/HA P6
420 1.197 4.538 0 U 1.699e+02 0.00e+00 - 0 20 18 0
# HB/HA 5
421 1.197 8.282 0 U 5.260e+01 0.00e+00 - 0 20 19 0
# HB/H 5
422 3.011 4.424 0 U 1.949e+02 0.00e+00 - 0 53 51 0
# HB2/HA 13
424 3.011 8.128 0 U 2.767e+01 0.00e+00 - 0 53 52 0
# HB2/H 13
425 3.011 3.011 0 U 7.974e+02 0.00e+00 - 0 53 53 0
# HB2/HB2 13
426 1.666 2.173 0 U 1.699e+02 0.00e+00 - 0 115 113 0
# HB3/HG 25
427 1.666 4.321 0 U 9.368e+01 0.00e+00 - 0 115 111 0
# HB3/HA 25
428 1.666 8.060 0 U 5.186e+01 0.00e+00 - 0 115 112 0
# HB3/H 25
429 1.666 1.666 0 U 2.858e+07 0.00e+00 - 0 115 115 0
# HB3/HB3 25
430 1.666 1.846 0 U 1.845e+04 0.00e+00 - 0 115 114 0
# HB3/HB2 25
433 1.801 1.801 0 U 8.621e+06 0.00e+00 - 0 85 85 0
# HG/HG P12
434 1.801 4.222 0 U 9.157e+02 0.00e+00 - 0 85 81 0
# HG/HA P12
435 1.801 3.566 0 U 1.146e+03 0.00e+00 - 0 85 82 0
# HG/HD2 P12
436 1.801 3.476 0 U 1.930e+03 0.00e+00 - 0 85 97 0
# HG/HD3 P12
437 4.163 2.196 0 U 1.471e+03 0.00e+00 - 0 3 5 0
# HA/HG Q4
438 4.163 8.344 0 U 1.092e+03 0.00e+00 - 0 3 9 0
# HA Q4/H Q5
439 4.163 1.824 0 U 1.970e+02 0.00e+00 - 0 3 7 0
# HA/HB3 Q4
441 4.163 8.373 0 U 4.209e+02 0.00e+00 - 0 3 4 0
# HA/H Q4
442 4.163 1.910 0 U 2.267e+03 0.00e+00 - 0 3 6 0
# HA/HB2 Q4
443 1.754 2.131 0 U 8.111e+03 0.00e+00 - 0 79 78 0
# HB3/HB2 P9
445 1.754 4.246 0 U 7.483e+02 0.00e+00 - 0 79 75 0
# HB3/HA P9
447 1.754 3.477 0 U 2.068e+03 0.00e+00 - 0 79 77 0
# HB3/HD3 P9
448 1.754 3.641 0 U 9.094e+02 0.00e+00 - 0 79 76 0
# HB3/HD2 P9
449 7.926 1.132 0 U 2.082e+01 0.00e+00 - 0 60 61 0
# H/HB 15
450 7.926 4.222 0 U 6.176e+01 0.00e+00 - 0 60 59 0
# H/HA 15
452 2.172 3.993 0 U 1.749e+02 0.00e+00 - 0 107 105 0
# HG2/HA 24
453 2.172 1.801 0 U 1.106e+03 0.00e+00 - 0 107 109 0
# HG2/HB2 24
454 2.172 8.111 0 U 2.280e+01 0.00e+00 - 0 107 106 0
# HG2/H 24
458 8.587 3.909 0 U 1.146e+03 0.00e+00 - 0 2 92 0
# H G2/HA L1
459 8.587 1.579 0 U 2.533e+02 0.00e+00 - 0 2 91 0
# H G2/HB2 L1
461 8.587 3.854 0 U 1.457e+03 0.00e+00 - 0 2 1 0
# H/HA G2
462 2.035 3.993 0 U 1.398e+02 0.00e+00 - 0 108 105 0
# HG3/HA 24
465 2.035 1.660 0 U 2.068e+03 0.00e+00 - 0 108 110 0
# HG3/HB3 24
467 2.035 2.035 0 U 7.249e+05 0.00e+00 - 0 108 108 0
# HG3/HG3 24
468 2.206 8.283 0 U 3.979e+02 0.00e+00 - 0 23 22 0
# HG/H Q3
470 2.206 4.193 0 U 8.204e+02 0.00e+00 - 0 23 21 0
# HG/HA Q3
471 2.206 1.931 0 U 2.847e+03 0.00e+00 - 0 23 24 0
# HG/HB2 Q3
473 3.333 1.704 0 U 4.678e+02 0.00e+00 - 0 87 94 0
# HD2/HG2 21
474 3.333 1.941 0 U 5.655e+01 0.00e+00 - 0 87 90 0
# HD2/HB3 21
475 3.333 2.075 0 U 8.714e+01 0.00e+00 - 0 87 89 0
# HD2/HB2 21
476 3.333 1.465 0 U 1.511e+02 0.00e+00 - 0 87 95 0
# HD2/HG3 21
479 3.333 4.417 0 U 1.737e+02 0.00e+00 - 0 87 86 0
# HD2/HA 21
480 1.671 2.295 0 U 2.587e+02 0.00e+00 - 0 50 48 0
# HG/HB2 12
483 1.671 8.137 0 U 2.587e+01 0.00e+00 - 0 50 47 0
# HG/H 12
484 1.671 1.671 0 U 4.782e+06 0.00e+00 - 0 50 50 0
# HG/HG 12
485 4.464 1.928 0 U 1.572e+02 0.00e+00 - 0 8 11 0
# HA/HB2 Q5
486 4.464 3.481 0 U 3.444e+01 0.00e+00 - 0 8 98 0
# HA Q5/HD P6
487 4.464 1.804 0 U 2.669e+02 0.00e+00 - 0 8 12 0
# HA/HB3 Q5
488 4.464 2.234 0 U 4.377e+01 0.00e+00 - 0 8 10 0
# HA/HG Q5
489 4.464 8.344 0 U 5.575e+01 0.00e+00 - 0 8 9 0
# HA/H Q5
491 6.680 7.828 0 U 2.429e+02 0.00e+00 - 0 104 63 0
# HE/H Y13
492 6.680 2.933 0 U 1.065e+02 0.00e+00 - 0 104 64 0
# HE/HB2 Y13
493 6.680 4.392 0 U 3.477e+00 0.00e+00 - 0 104 62 0
# HE/HA Y13
494 6.680 2.848 0 U 1.559e+02 0.00e+00 - 0 104 65 0
# HE/HB3 Y13
495 6.680 6.985 0 U 1.576e+03 0.00e+00 - 0 104 102 0
# HE/HD Y13
497 4.222 7.819 0 U 1.266e+03 0.00e+00 - 0 81 63 0
# HA P12/H Y13
498 4.222 1.702 0 U 3.518e+02 0.00e+00 - 0 81 84 0
# HA/HB3 P12
499 4.222 2.034 0 U 2.591e+03 0.00e+00 - 0 81 83 0
# HA/HB2 P12
500 4.222 1.801 0 U 1.015e+03 0.00e+00 - 0 81 85 0
# HA/HG P12
502 4.222 3.566 0 U 3.696e+01 0.00e+00 - 0 81 82 0
# HA/HD2 P12
503 4.222 3.476 0 U 3.373e+01 0.00e+00 - 0 81 97 0
# HA/HD3 P12
504 3.566 1.702 0 U 3.996e+02 0.00e+00 - 0 82 84 0
# HD2/HB3 P12
505 3.566 2.034 0 U 2.509e+02 0.00e+00 - 0 82 83 0
# HD2/HB2 P12
506 3.566 1.801 0 U 9.706e+02 0.00e+00 - 0 82 85 0
# HD2/HG P12
507 3.566 4.222 0 U 1.084e+03 0.00e+00 - 0 82 81 0
# HD2/HA P12
510 2.302 1.667 0 U 1.183e+03 0.00e+00 - 0 44 45 0
# HB/HG 11
511 2.302 8.173 0 U 7.952e+01 0.00e+00 - 0 44 43 0
# HB/H 11
512 2.302 4.511 0 U 2.612e+02 0.00e+00 - 0 44 42 0
# HB/HA 11
513 2.302 2.302 0 U 1.818e+05 0.00e+00 - 0 44 44 0
# HB/HB 11
514 3.854 8.283 0 U 2.080e+03 0.00e+00 - 0 1 22 0
# HA G2/H Q3
515 3.854 8.587 0 U 1.093e+03 0.00e+00 - 0 1 2 0
# HA/H G2
517 1.846 2.173 0 U 7.061e+03 0.00e+00 - 0 114 113 0
# HB2/HG 25
518 1.846 4.321 0 U 2.243e+02 0.00e+00 - 0 114 111 0
# HB2/HA 25
519 1.846 8.060 0 U 1.484e+01 0.00e+00 - 0 114 112 0
# HB2/H 25
521 1.846 1.846 0 U 1.370e+04 0.00e+00 - 0 114 114 0
# HB2/HB2 25
522 3.006 4.424 0 U 1.547e+02 0.00e+00 - 0 57 55 0
# HB2/HA 14
525 3.006 8.038 0 U 5.640e+01 0.00e+00 - 0 57 56 0
# HB2/H 14
526 1.807 1.922 0 U 4.377e+05 0.00e+00 - 0 29 103 0
# HB3/HB2 Q10
527 1.807 2.194 0 U 3.744e+02 0.00e+00 - 0 29 28 0
# HB3/HG3 Q10
528 1.807 8.271 0 U 2.699e+02 0.00e+00 - 0 29 26 0
# HB3/H Q10
530 1.807 4.112 0 U 8.957e+02 0.00e+00 - 0 29 25 0
# HB3/HA Q10
531 1.807 1.807 0 U 6.990e+07 0.00e+00 - 0 29 29 0
# HB3/HB3 Q10
532 4.538 1.197 0 U 1.188e+02 0.00e+00 - 0 18 20 0
# HA/HB 5
533 4.538 4.538 0 U 3.070e+03 0.00e+00 - 0 18 18 0
# HA/HA 5
534 4.538 8.282 0 U 1.149e+02 0.00e+00 - 0 18 19 0
# HA/H 5
535 0.792 3.909 0 U 9.750e+02 0.00e+00 - 0 93 92 0
# HD/HA L1
536 0.792 1.579 0 U 7.634e+03 0.00e+00 - 0 93 91 0
# HD/HB2 L1
538 1.185 3.456 0 U 1.331e+03 0.00e+00 - 0 32 72 0
# HB A7/HD3 P8
539 1.185 8.228 0 U 4.104e+02 0.00e+00 - 0 32 31 0
# HB/H A7
540 1.185 4.431 0 U 2.553e+03 0.00e+00 - 0 32 30 0
# HB/HA A7
542 8.373 4.193 0 U 7.481e+02 0.00e+00 - 0 4 21 0
# H Q4/HA Q3
543 8.373 2.196 0 U 5.531e+02 0.00e+00 - 0 4 5 0
# H/HG Q4
544 8.373 1.824 0 U 4.847e+02 0.00e+00 - 0 4 7 0
# H/HB3 Q4
545 8.373 4.163 0 U 1.803e+03 0.00e+00 - 0 4 3 0
# H/HA Q4
547 8.373 1.910 0 U 3.799e+02 0.00e+00 - 0 4 6 0
# H/HB2 Q4
548 3.476 1.702 0 U 8.930e+02 0.00e+00 - 0 97 84 0
# HD3/HB3 P12
549 3.476 2.034 0 U 1.248e+02 0.00e+00 - 0 97 83 0
# HD3/HB2 P12
550 3.476 1.801 0 U 9.892e+02 0.00e+00 - 0 97 85 0
# HD3/HG P12
551 3.476 4.222 0 U 1.153e+03 0.00e+00 - 0 97 81 0
# HD3/HA P12
554 8.282 1.197 0 U 1.645e+02 0.00e+00 - 0 19 20 0
# H/HB 5
555 8.282 4.538 0 U 6.796e+01 0.00e+00 - 0 19 18 0
# H/HA 5
557 4.417 1.704 0 U 1.592e+02 0.00e+00 - 0 86 94 0
# HA/HG2 21
558 4.417 1.941 0 U 1.387e+02 0.00e+00 - 0 86 90 0
# HA/HB3 21
559 4.417 2.075 0 U 1.148e+02 0.00e+00 - 0 86 89 0
# HA/HB2 21
560 4.417 1.465 0 U 4.746e+00 0.00e+00 - 0 86 95 0
# HA/HG3 21
561 4.417 3.279 0 U 7.001e+01 0.00e+00 - 0 86 88 0
# HA/HD3 21
562 4.417 3.333 0 U 6.591e+01 0.00e+00 - 0 86 87 0
# HA/HD2 21
564 1.910 2.196 0 U 3.349e+03 0.00e+00 - 0 6 5 0
# HB2/HG Q4
565 1.910 1.824 0 U 8.364e+03 0.00e+00 - 0 6 7 0
# HB2/HB3 Q4
566 1.910 4.163 0 U 1.837e+03 0.00e+00 - 0 6 3 0
# HB2/HA Q4
567 1.910 8.373 0 U 1.783e+02 0.00e+00 - 0 6 4 0
# HB2/H Q4
569 3.477 4.527 0 U 2.268e+03 0.00e+00 - 0 77 70 0
# HD3 P9/HA P8
570 3.477 2.131 0 U 2.641e+02 0.00e+00 - 0 77 78 0
# HD3/HB2 P9
571 3.477 1.853 0 U 1.766e+03 0.00e+00 - 0 77 80 0
# HD3/HG P9
572 3.477 4.246 0 U 1.423e+03 0.00e+00 - 0 77 75 0
# HD3/HA P9
573 3.477 1.754 0 U 1.570e+03 0.00e+00 - 0 77 79 0
# HD3/HB3 P9
574 3.477 3.477 0 U 1.520e+06 0.00e+00 - 0 77 77 0
# HD3/HD3 P9
575 3.477 3.641 0 U 6.288e+03 0.00e+00 - 0 77 76 0
# HD3/HD2 P9
576 3.641 4.527 0 U 2.674e+03 0.00e+00 - 0 76 70 0
# HD2 P9/HA P8
577 3.641 2.131 0 U 3.083e+02 0.00e+00 - 0 76 78 0
# HD2/HB2 P9
578 3.641 1.853 0 U 2.612e+03 0.00e+00 - 0 76 80 0
# HD2/HG P9
579 3.641 4.246 0 U 1.305e+03 0.00e+00 - 0 76 75 0
# HD2/HA P9
580 3.641 1.754 0 U 6.014e+02 0.00e+00 - 0 76 79 0
# HD2/HB3 P9
581 3.641 3.477 0 U 3.333e+03 0.00e+00 - 0 76 77 0
# HD2/HD3 P9
583 8.038 4.424 0 U 2.413e+01 0.00e+00 - 0 56 55 0
# H/HA 14
584 8.038 2.892 0 U 6.282e+01 0.00e+00 - 0 56 58 0
# H/HB3 14
585 8.038 3.006 0 U 2.138e+01 0.00e+00 - 0 56 57 0
# H/HB2 14
587 1.924 1.804 0 U 9.203e+05 0.00e+00 - 0 17 16 0
# HB3/HG 4
588 1.924 2.302 0 U 4.144e+02 0.00e+00 - 0 17 15 0
# HB3/HB2 4
589 1.924 4.190 0 U 7.324e+02 0.00e+00 - 0 17 13 0
# HB3/HA 4
590 1.924 8.328 0 U 9.796e+01 0.00e+00 - 0 17 14 0
# HB3/H 4
592 2.176 1.726 0 U 7.864e+03 0.00e+00 - 0 35 37 0
# HG/HB Q11
593 2.176 8.236 0 U 8.138e+01 0.00e+00 - 0 35 34 0
# HG/H Q11
594 2.176 4.540 0 U 7.768e+02 0.00e+00 - 0 35 117 0
# HG/HA Q11
596 2.187 4.527 0 U 1.112e+03 0.00e+00 - 0 73 70 0
# HB2/HA P8
598 2.187 3.456 0 U 7.718e+02 0.00e+00 - 0 73 72 0
# HB2/HD3 P8
599 2.187 1.880 0 U 1.551e+03 0.00e+00 - 0 73 74 0
# HB2/HG P8
600 2.187 3.662 0 U 5.142e+02 0.00e+00 - 0 73 71 0
# HB2/HD2 P8
601 2.187 2.187 0 U 1.438e+06 0.00e+00 - 0 73 73 0
# HB2/HB2 P8
;
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 . folded 6000 Hz . . . 4.76 . . 34343 1
stop_
save_