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 34406
_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 1
_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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 2
#INAME 1 H1
#INAME 2 H1
1 1.882 1.882 0 U 4.742e+05 0.00e+00 - 0 123 123 0
# HB/HB K1
2 1.882 9.026 0 U 2.669e+02 0.00e+00 - 0 123 21 0
# HB K1/H F2
3 1.882 4.023 0 U 3.819e+03 0.00e+00 - 0 123 122 0
# HB/HA K1
4 1.882 1.415 0 U -2.797e+04 0.00e+00 - 0 123 126 0
# HB/HG K1
5 1.882 1.728 0 U 5.359e+03 0.00e+00 - 0 123 125 0
# HB/HD K1
6 1.882 3.022 0 U 2.164e+02 0.00e+00 - 0 123 124 0
# HB/HE K1
7 0.873 0.873 0 U 2.276e+06 0.00e+00 - 0 150 150 0
# HG2/HG2 I6
8 0.873 7.915 0 U 3.120e+03 0.00e+00 - 0 150 19 0
# HG2 I6/H S9
9 0.873 1.189 0 U 1.221e+04 0.00e+00 - 0 150 155 0
# HG2/HG13 I6
10 0.873 8.170 0 U 3.353e+03 0.00e+00 - 0 150 3 0
# HG2/H I6
11 0.873 1.454 0 U 8.805e+03 0.00e+00 - 0 150 153 0
# HG2/HG12 I6
12 0.873 4.152 0 U 1.163e+04 0.00e+00 - 0 150 38 0
# HG2/HA I6
13 0.873 1.938 0 U 1.727e+04 0.00e+00 - 0 150 103 0
# HG2/HB I6
14 0.873 0.838 0 U -1.341e+06 0.00e+00 - 0 150 151 0
# HG2/HD1 I6
15 0.873 7.947 0 U 2.597e+03 0.00e+00 - 0 150 5 0
# HG2 I6/H W7
16 7.915 0.873 0 U 5.088e+03 0.00e+00 - 0 19 150 0
# H S9/HG2 I6
17 7.915 7.915 0 U 3.157e+05 0.00e+00 - 0 19 19 0
# H/H S9
18 7.915 1.667 0 U 2.692e+03 0.00e+00 - 0 19 78 0
# H S9/HD K8
19 7.915 7.825 0 U 1.103e+04 0.00e+00 - 0 19 13 0
# H S9/H F10
20 7.915 1.749 0 U 2.983e+03 0.00e+00 - 0 19 77 0
# H S9/HB K8
21 7.915 3.812 0 U 7.853e+03 0.00e+00 - 0 19 31 0
# H/HB S9
22 7.915 4.017 0 U 6.596e+03 0.00e+00 - 0 19 74 0
# H S9/HA K8
23 7.915 4.266 0 U 7.992e+03 0.00e+00 - 0 19 30 0
# H/HA S9
24 7.915 1.198 0 U 1.760e+03 0.00e+00 - 0 19 80 0
# H S9/HG K8
25 7.246 7.246 0 U 1.068e+06 0.00e+00 - 0 128 128 0
# HZ/HZ F10
26 7.246 7.825 0 U 5.269e+02 0.00e+00 - 0 128 13 0
# HZ/H F10
27 7.246 7.349 0 U 4.029e+04 0.00e+00 - 0 128 132 0
# HZ/HD F10
28 7.246 3.154 0 U 1.270e+03 0.00e+00 - 0 128 28 0
# HZ/HB F10
29 7.246 7.347 0 U -2.468e+04 0.00e+00 - 0 128 130 0
# HZ/HE F10
30 7.246 4.530 0 U 1.103e+03 0.00e+00 - 0 128 26 0
# HZ/HA F10
31 0.863 0.863 0 U 1.806e+06 0.00e+00 - 0 69 69 0
# HG1/HG1 V5
32 0.863 8.033 0 U 1.005e+04 0.00e+00 - 0 69 9 0
# HG1/H V5
33 0.863 1.876 0 U 1.743e+04 0.00e+00 - 0 69 68 0
# HG1/HB V5
34 0.863 8.170 0 U 9.553e+02 0.00e+00 - 0 69 3 0
# HG1 V5/H I6
35 0.863 3.960 0 U 1.011e+04 0.00e+00 - 0 69 67 0
# HG1/HA V5
36 0.863 0.637 0 U 2.586e+04 0.00e+00 - 0 69 70 0
# HG1/HG2 V5
37 1.667 7.915 0 U 1.229e+03 0.00e+00 - 0 78 19 0
# HD K8/H S9
38 1.667 1.667 0 U 3.146e+05 0.00e+00 - 0 78 78 0
# HD/HD K8
39 1.667 1.749 0 U 1.184e+05 0.00e+00 - 0 78 77 0
# HD/HB K8
40 1.667 2.922 0 U 2.044e+03 0.00e+00 - 0 78 75 0
# HD/HE K8
41 1.667 4.017 0 U 9.274e+03 0.00e+00 - 0 78 74 0
# HD/HA K8
42 1.667 7.687 0 U 1.050e+03 0.00e+00 - 0 78 157 0
# HD/HZ K8
43 1.667 7.989 0 U 4.597e+03 0.00e+00 - 0 78 15 0
# HD/H K8
44 1.667 1.198 0 U -1.898e+03 0.00e+00 - 0 78 80 0
# HD/HG K8
45 1.189 0.873 0 U 3.921e+03 0.00e+00 - 0 155 150 0
# HG13/HG2 I6
46 1.189 1.189 0 U -5.310e+05 0.00e+00 - 0 155 155 0
# HG13/HG13 I6
47 1.189 8.170 0 U 2.548e+03 0.00e+00 - 0 155 3 0
# HG13/H I6
48 1.189 1.454 0 U 3.616e+04 0.00e+00 - 0 155 153 0
# HG13/HG12 I6
49 1.189 4.152 0 U 2.253e+03 0.00e+00 - 0 155 38 0
# HG13/HA I6
50 1.189 1.938 0 U 4.950e+03 0.00e+00 - 0 155 103 0
# HG13/HB I6
51 1.189 0.838 0 U 3.694e+03 0.00e+00 - 0 155 151 0
# HG13/HD1 I6
52 1.431 1.431 0 U 5.188e+05 0.00e+00 - 0 45 45 0
# HG3/HG3 K3
53 1.431 1.363 0 U 2.415e+04 0.00e+00 - 0 45 44 0
# HG3/HG2 K3
54 1.431 4.240 0 U 1.586e+03 0.00e+00 - 0 45 41 0
# HG3/HA K3
55 1.431 1.727 0 U 3.330e+04 0.00e+00 - 0 45 43 0
# HG3/HD K3
56 1.431 7.701 0 U 4.120e+01 0.00e+00 - 0 45 158 0
# HG3/HZ K3
57 1.431 3.161 0 U 1.990e+02 0.00e+00 - 0 45 42 0
# HG3/HE K3
58 1.431 1.739 0 U -2.923e+04 0.00e+00 - 0 45 47 0
# HG3/HB3 K3
59 1.431 8.358 0 U 1.497e+03 0.00e+00 - 0 45 1 0
# HG3/H K3
60 1.431 1.792 0 U 3.931e+03 0.00e+00 - 0 45 46 0
# HG3/HB2 K3
61 9.026 1.882 0 U 1.944e+03 0.00e+00 - 0 21 123 0
# H F2/HB K1
62 9.026 9.026 0 U 1.817e+04 0.00e+00 - 0 21 21 0
# H/H F2
63 9.026 4.023 0 U 6.010e+03 0.00e+00 - 0 21 122 0
# H F2/HA K1
64 9.026 7.211 0 U 1.471e+01 0.00e+00 - 0 21 139 0
# H/HZ F2
65 9.026 3.155 0 U 1.079e+03 0.00e+00 - 0 21 84 0
# H/HB3 F2
66 9.026 3.119 0 U 3.138e+03 0.00e+00 - 0 21 83 0
# H/HB2 F2
67 9.026 7.324 0 U 7.817e+02 0.00e+00 - 0 21 137 0
# H/HD F2
68 9.026 4.639 0 U 2.001e+03 0.00e+00 - 0 21 82 0
# H/HA F2
69 9.026 7.289 0 U -2.176e+02 0.00e+00 - 0 21 136 0
# H/HE F2
70 0.963 0.963 0 U 2.265e+06 0.00e+00 - 0 85 85 0
# HD1/HD1 L11
71 0.963 4.282 0 U 1.330e+03 0.00e+00 - 0 85 33 0
# HD1/HA L11
72 0.963 7.672 0 U 1.018e+03 0.00e+00 - 0 85 17 0
# HD1/H L11
73 0.963 1.718 0 U 5.408e+03 0.00e+00 - 0 85 37 0
# HD1/HB2 L11
74 0.963 1.682 0 U 1.163e+04 0.00e+00 - 0 85 156 0
# HD1/HB3 L11
75 0.963 0.916 0 U -3.962e+05 0.00e+00 - 0 85 86 0
# HD1/HD2 L11
76 0.963 1.642 0 U 4.239e+03 0.00e+00 - 0 85 35 0
# HD1/HG L11
77 1.374 1.374 0 U 3.228e+05 0.00e+00 - 0 52 52 0
# HG2/HG2 K4
78 1.374 8.033 0 U 4.176e+02 0.00e+00 - 0 52 9 0
# HG2 K4/H V5
79 1.374 1.448 0 U 6.054e+04 0.00e+00 - 0 52 73 0
# HG2/HG3 K4
80 1.374 7.685 0 U -8.121e+01 0.00e+00 - 0 52 159 0
# HG2/HZ K4
81 1.374 1.787 0 U 2.183e+02 0.00e+00 - 0 52 49 0
# HG2/HB K4
82 1.374 1.714 0 U 6.569e+03 0.00e+00 - 0 52 72 0
# HG2/HD K4
83 1.374 4.175 0 U 1.478e+03 0.00e+00 - 0 52 48 0
# HG2/HA K4
84 1.374 8.097 0 U 1.194e+03 0.00e+00 - 0 52 7 0
# HG2/H K4
85 1.374 2.989 0 U 2.246e+03 0.00e+00 - 0 52 71 0
# HG2/HE K4
86 4.282 0.963 0 U 1.426e+01 0.00e+00 - 0 33 85 0
# HA/HD1 L11
87 4.282 4.282 0 U 3.529e+04 0.00e+00 - 0 33 33 0
# HA/HA L11
88 4.282 7.672 0 U 4.787e+02 0.00e+00 - 0 33 17 0
# HA/H L11
89 4.282 7.136 0 U 1.814e+02 0.00e+00 - 0 33 147 0
# HA L11/HH2 W7
90 4.282 1.718 0 U 1.667e+03 0.00e+00 - 0 33 37 0
# HA/HB2 L11
91 4.282 1.682 0 U -3.677e+02 0.00e+00 - 0 33 156 0
# HA/HB3 L11
92 4.282 0.916 0 U 7.115e+02 0.00e+00 - 0 33 86 0
# HA/HD2 L11
93 4.282 1.642 0 U 5.262e+02 0.00e+00 - 0 33 35 0
# HA/HG L11
94 8.033 0.863 0 U 1.066e+04 0.00e+00 - 0 9 69 0
# H/HG1 V5
95 8.033 1.374 0 U 9.742e+02 0.00e+00 - 0 9 52 0
# H V5/HG2 K4
96 8.033 8.033 0 U 2.885e+05 0.00e+00 - 0 9 9 0
# H/H V5
97 8.033 1.876 0 U 1.008e+04 0.00e+00 - 0 9 68 0
# H/HB V5
98 8.033 1.448 0 U 1.330e+03 0.00e+00 - 0 9 73 0
# H V5/HG3 K4
99 8.033 1.787 0 U 3.688e+03 0.00e+00 - 0 9 49 0
# H V5/HB K4
100 8.033 3.960 0 U 5.803e+03 0.00e+00 - 0 9 67 0
# H/HA V5
101 8.033 4.175 0 U 1.952e+04 0.00e+00 - 0 9 48 0
# H V5/HA K4
102 8.033 0.637 0 U 3.575e+03 0.00e+00 - 0 9 70 0
# H/HG2 V5
103 7.825 7.915 0 U 1.027e+04 0.00e+00 - 0 13 19 0
# H F10/H S9
104 7.825 7.246 0 U 3.728e+02 0.00e+00 - 0 13 128 0
# H/HZ F10
105 7.825 7.825 0 U 2.961e+05 0.00e+00 - 0 13 13 0
# H/H F10
106 7.825 7.349 0 U 1.724e+02 0.00e+00 - 0 13 132 0
# H/HD F10
107 7.825 7.672 0 U 9.863e+03 0.00e+00 - 0 13 17 0
# H F10/H L11
108 7.825 3.812 0 U 2.991e+03 0.00e+00 - 0 13 31 0
# H F10/HB S9
109 7.825 3.154 0 U 1.232e+04 0.00e+00 - 0 13 28 0
# H/HB F10
110 7.825 7.347 0 U 1.492e+02 0.00e+00 - 0 13 130 0
# H/HE F10
111 7.825 4.266 0 U 6.367e+03 0.00e+00 - 0 13 30 0
# H F10/HA S9
112 7.825 4.530 0 U 7.057e+03 0.00e+00 - 0 13 26 0
# H/HA F10
113 4.023 1.882 0 U -1.227e+03 0.00e+00 - 0 122 123 0
# HA/HB K1
114 4.023 9.026 0 U 5.882e+02 0.00e+00 - 0 122 21 0
# HA K1/H F2
115 4.023 4.023 0 U 1.640e+05 0.00e+00 - 0 122 122 0
# HA/HA K1
116 4.023 1.415 0 U 8.774e+02 0.00e+00 - 0 122 126 0
# HA/HG K1
117 4.023 1.728 0 U 6.551e+02 0.00e+00 - 0 122 125 0
# HA/HD K1
118 4.023 3.022 0 U -3.817e+01 0.00e+00 - 0 122 124 0
# HA/HE K1
119 7.211 9.026 0 U -5.313e+01 0.00e+00 - 0 139 21 0
# HZ/H F2
120 7.211 7.211 0 U 1.461e+05 0.00e+00 - 0 139 139 0
# HZ/HZ F2
121 7.211 3.155 0 U -1.307e+02 0.00e+00 - 0 139 84 0
# HZ/HB3 F2
122 7.211 3.119 0 U 8.314e+01 0.00e+00 - 0 139 83 0
# HZ/HB2 F2
123 7.211 7.324 0 U -1.898e+04 0.00e+00 - 0 139 137 0
# HZ/HD F2
124 7.211 4.639 0 U 1.489e+01 0.00e+00 - 0 139 82 0
# HZ/HA F2
125 7.211 7.289 0 U 1.211e+04 0.00e+00 - 0 139 136 0
# HZ/HE F2
126 6.981 6.981 0 U 7.393e+04 0.00e+00 - 0 149 149 0
# HZ3/HZ3 W7
127 6.981 7.517 0 U -3.124e+03 0.00e+00 - 0 149 143 0
# HZ3/HE3 W7
128 6.981 3.305 0 U 9.312e+01 0.00e+00 - 0 149 32 0
# HZ3/HB W7
129 6.981 7.136 0 U 3.645e+03 0.00e+00 - 0 149 147 0
# HZ3/HH2 W7
130 6.981 7.485 0 U 8.965e+03 0.00e+00 - 0 149 141 0
# HZ3/HZ2 W7
131 6.981 10.610 0 U 0.000e+00 0.00e+00 - 0 149 23 0
# HZ3/HE1 W7
132 6.981 4.454 0 U 2.038e+02 0.00e+00 - 0 149 29 0
# HZ3/HA W7
133 6.981 7.366 0 U -6.512e+01 0.00e+00 - 0 149 145 0
# HZ3/HD1 W7
134 6.981 7.947 0 U -1.078e+02 0.00e+00 - 0 149 5 0
# HZ3/H W7
135 1.876 0.863 0 U 1.005e+04 0.00e+00 - 0 68 69 0
# HB/HG1 V5
136 1.876 8.033 0 U 6.566e+03 0.00e+00 - 0 68 9 0
# HB/H V5
137 1.876 1.876 0 U 4.048e+05 0.00e+00 - 0 68 68 0
# HB/HB V5
138 1.876 8.170 0 U 1.882e+03 0.00e+00 - 0 68 3 0
# HB V5/H I6
139 1.876 3.960 0 U 3.919e+03 0.00e+00 - 0 68 67 0
# HB/HA V5
140 1.876 0.637 0 U 2.844e+03 0.00e+00 - 0 68 70 0
# HB/HG2 V5
141 1.749 7.915 0 U 1.582e+03 0.00e+00 - 0 77 19 0
# HB K8/H S9
142 1.749 1.667 0 U 1.716e+05 0.00e+00 - 0 77 78 0
# HB/HD K8
143 1.749 1.749 0 U 2.412e+06 0.00e+00 - 0 77 77 0
# HB/HB K8
144 1.749 2.922 0 U 7.892e+02 0.00e+00 - 0 77 75 0
# HB/HE K8
145 1.749 4.017 0 U 5.112e+03 0.00e+00 - 0 77 74 0
# HB/HA K8
146 1.749 7.687 0 U 1.722e+03 0.00e+00 - 0 77 157 0
# HB/HZ K8
147 1.749 7.989 0 U 3.369e+03 0.00e+00 - 0 77 15 0
# HB/H K8
148 1.749 1.198 0 U -2.865e+03 0.00e+00 - 0 77 80 0
# HB/HG K8
149 1.363 1.431 0 U 4.381e+04 0.00e+00 - 0 44 45 0
# HG2/HG3 K3
150 1.363 1.363 0 U 2.478e+05 0.00e+00 - 0 44 44 0
# HG2/HG2 K3
151 1.363 4.240 0 U 1.581e+03 0.00e+00 - 0 44 41 0
# HG2/HA K3
152 1.363 1.727 0 U -2.029e+03 0.00e+00 - 0 44 43 0
# HG2/HD K3
153 1.363 7.701 0 U 5.235e+01 0.00e+00 - 0 44 158 0
# HG2/HZ K3
154 1.363 3.161 0 U -9.299e+01 0.00e+00 - 0 44 42 0
# HG2/HE K3
155 1.363 1.739 0 U -3.686e+03 0.00e+00 - 0 44 47 0
# HG2/HB3 K3
156 1.363 8.358 0 U 9.592e+02 0.00e+00 - 0 44 1 0
# HG2/H K3
157 1.363 1.792 0 U 1.526e+03 0.00e+00 - 0 44 46 0
# HG2/HB2 K3
158 8.170 0.873 0 U -2.235e+03 0.00e+00 - 0 3 150 0
# H/HG2 I6
159 8.170 0.863 0 U 8.518e+03 0.00e+00 - 0 3 69 0
# H I6/HG1 V5
160 8.170 1.189 0 U 4.212e+03 0.00e+00 - 0 3 155 0
# H/HG13 I6
161 8.170 1.876 0 U 2.047e+03 0.00e+00 - 0 3 68 0
# H I6/HB V5
162 8.170 8.170 0 U 2.114e+05 0.00e+00 - 0 3 3 0
# H/H I6
163 8.170 3.960 0 U 1.852e+04 0.00e+00 - 0 3 67 0
# H I6/HA V5
164 8.170 1.454 0 U 4.249e+03 0.00e+00 - 0 3 153 0
# H/HG12 I6
165 8.170 4.152 0 U 4.974e+03 0.00e+00 - 0 3 38 0
# H/HA I6
166 8.170 1.938 0 U 8.602e+03 0.00e+00 - 0 3 103 0
# H/HB I6
167 8.170 0.838 0 U -2.586e+03 0.00e+00 - 0 3 151 0
# H/HD1 I6
168 8.170 0.637 0 U 4.319e+03 0.00e+00 - 0 3 70 0
# H I6/HG2 V5
169 8.170 7.947 0 U 4.245e+03 0.00e+00 - 0 3 5 0
# H I6/H W7
170 7.349 7.246 0 U -3.068e+05 0.00e+00 - 0 132 128 0
# HD/HZ F10
171 7.349 7.825 0 U -4.802e+02 0.00e+00 - 0 132 13 0
# HD/H F10
172 7.349 7.349 0 U -4.161e+07 0.00e+00 - 0 132 132 0
# HD/HD F10
173 7.349 3.154 0 U 4.778e+03 0.00e+00 - 0 132 28 0
# HD/HB F10
174 7.349 7.347 0 U 4.018e+07 0.00e+00 - 0 132 130 0
# HD/HE F10
175 7.349 4.530 0 U -2.887e+03 0.00e+00 - 0 132 26 0
# HD/HA F10
176 1.448 1.374 0 U 5.360e+04 0.00e+00 - 0 73 52 0
# HG3/HG2 K4
177 1.448 8.033 0 U 6.087e+02 0.00e+00 - 0 73 9 0
# HG3 K4/H V5
178 1.448 1.448 0 U 4.986e+04 0.00e+00 - 0 73 73 0
# HG3/HG3 K4
179 1.448 7.685 0 U -1.041e+02 0.00e+00 - 0 73 159 0
# HG3/HZ K4
180 1.448 1.787 0 U 6.127e+03 0.00e+00 - 0 73 49 0
# HG3/HB K4
181 1.448 1.714 0 U 2.408e+04 0.00e+00 - 0 73 72 0
# HG3/HD K4
182 1.448 4.175 0 U 1.933e+03 0.00e+00 - 0 73 48 0
# HG3/HA K4
183 1.448 8.097 0 U 1.490e+03 0.00e+00 - 0 73 7 0
# HG3/H K4
184 1.448 2.989 0 U 2.231e+03 0.00e+00 - 0 73 71 0
# HG3/HE K4
185 3.155 9.026 0 U 5.231e+02 0.00e+00 - 0 84 21 0
# HB3/H F2
186 3.155 7.211 0 U -8.206e+02 0.00e+00 - 0 84 139 0
# HB3/HZ F2
187 3.155 3.155 0 U 2.986e+06 0.00e+00 - 0 84 84 0
# HB3/HB3 F2
188 3.155 3.119 0 U 4.194e+04 0.00e+00 - 0 84 83 0
# HB3/HB2 F2
189 3.155 7.324 0 U 2.973e+04 0.00e+00 - 0 84 137 0
# HB3/HD F2
190 3.155 4.639 0 U 3.979e+03 0.00e+00 - 0 84 82 0
# HB3/HA F2
191 3.155 7.289 0 U -7.591e+03 0.00e+00 - 0 84 136 0
# HB3/HE F2
192 3.155 8.358 0 U 1.445e+03 0.00e+00 - 0 84 1 0
# HB3 F2/H K3
193 7.517 6.981 0 U 8.721e+02 0.00e+00 - 0 143 149 0
# HE3/HZ3 W7
194 7.517 7.517 0 U 5.786e+04 0.00e+00 - 0 143 143 0
# HE3/HE3 W7
195 7.517 3.305 0 U 3.539e+02 0.00e+00 - 0 143 32 0
# HE3/HB W7
196 7.517 7.136 0 U 1.000e+03 0.00e+00 - 0 143 147 0
# HE3/HH2 W7
197 7.517 7.485 0 U -1.648e+04 0.00e+00 - 0 143 141 0
# HE3/HZ2 W7
198 7.517 10.610 0 U 0.000e+00 0.00e+00 - 0 143 23 0
# HE3/HE1 W7
199 7.517 4.454 0 U 1.831e+02 0.00e+00 - 0 143 29 0
# HE3/HA W7
200 7.517 7.366 0 U 2.194e+01 0.00e+00 - 0 143 145 0
# HE3/HD1 W7
201 7.517 7.947 0 U 1.058e+02 0.00e+00 - 0 143 5 0
# HE3/H W7
202 7.685 1.374 0 U 8.176e+01 0.00e+00 - 0 159 52 0
# HZ/HG2 K4
203 7.685 1.448 0 U 6.524e+01 0.00e+00 - 0 159 73 0
# HZ/HG3 K4
204 7.685 7.685 0 U -2.444e+05 0.00e+00 - 0 159 159 0
# HZ/HZ K4
205 7.685 1.787 0 U 1.070e+02 0.00e+00 - 0 159 49 0
# HZ/HB K4
206 7.685 1.714 0 U -1.181e+03 0.00e+00 - 0 159 72 0
# HZ/HD K4
207 7.685 4.175 0 U 2.673e+02 0.00e+00 - 0 159 48 0
# HZ/HA K4
208 7.685 8.097 0 U -3.519e+01 0.00e+00 - 0 159 7 0
# HZ/H K4
209 7.685 2.989 0 U 1.765e+02 0.00e+00 - 0 159 71 0
# HZ/HE K4
210 1.787 1.374 0 U 1.083e+04 0.00e+00 - 0 49 52 0
# HB/HG2 K4
211 1.787 8.033 0 U 2.087e+03 0.00e+00 - 0 49 9 0
# HB K4/H V5
212 1.787 1.448 0 U 5.339e+03 0.00e+00 - 0 49 73 0
# HB/HG3 K4
213 1.787 7.685 0 U 2.599e+02 0.00e+00 - 0 49 159 0
# HB/HZ K4
214 1.787 1.787 0 U 1.101e+05 0.00e+00 - 0 49 49 0
# HB/HB K4
215 1.787 1.714 0 U 3.523e+04 0.00e+00 - 0 49 72 0
# HB/HD K4
216 1.787 4.175 0 U 5.984e+03 0.00e+00 - 0 49 48 0
# HB/HA K4
217 1.787 8.097 0 U 7.311e+03 0.00e+00 - 0 49 7 0
# HB/H K4
218 1.787 2.989 0 U 1.434e+03 0.00e+00 - 0 49 71 0
# HB/HE K4
219 3.305 6.981 0 U 1.401e+02 0.00e+00 - 0 32 149 0
# HB/HZ3 W7
220 3.305 7.517 0 U -2.968e+03 0.00e+00 - 0 32 143 0
# HB/HE3 W7
221 3.305 3.305 0 U 3.013e+05 0.00e+00 - 0 32 32 0
# HB/HB W7
222 3.305 7.136 0 U 5.793e+01 0.00e+00 - 0 32 147 0
# HB/HH2 W7
223 3.305 7.485 0 U 7.875e+03 0.00e+00 - 0 32 141 0
# HB/HZ2 W7
224 3.305 7.989 0 U 2.353e+03 0.00e+00 - 0 32 15 0
# HB W7/H K8
225 3.305 10.610 0 U 0.000e+00 0.00e+00 - 0 32 23 0
# HB/HE1 W7
226 3.305 4.454 0 U 1.514e+04 0.00e+00 - 0 32 29 0
# HB/HA W7
227 3.305 7.366 0 U 5.089e+03 0.00e+00 - 0 32 145 0
# HB/HD1 W7
228 3.305 7.947 0 U 8.582e+03 0.00e+00 - 0 32 5 0
# HB/H W7
229 0.633 7.947 0 U 1.291e+03 0.00e+00 - 0 98 5 0
# HD1/H W7
230 4.240 1.431 0 U 1.891e+02 0.00e+00 - 0 41 45 0
# HA/HG3 K3
231 4.240 1.363 0 U 1.665e+02 0.00e+00 - 0 41 44 0
# HA/HG2 K3
232 4.240 4.240 0 U 3.770e+04 0.00e+00 - 0 41 41 0
# HA/HA K3
233 4.240 1.727 0 U -2.121e+02 0.00e+00 - 0 41 43 0
# HA/HD K3
234 4.240 7.701 0 U -4.245e+01 0.00e+00 - 0 41 158 0
# HA/HZ K3
235 4.240 8.097 0 U 1.350e+03 0.00e+00 - 0 41 7 0
# HA K3/H K4
236 4.240 3.161 0 U -3.468e+01 0.00e+00 - 0 41 42 0
# HA/HE K3
237 4.240 1.739 0 U 2.124e+03 0.00e+00 - 0 41 47 0
# HA/HB3 K3
238 4.240 8.358 0 U 4.339e+02 0.00e+00 - 0 41 1 0
# HA/H K3
239 4.240 1.792 0 U 6.004e+02 0.00e+00 - 0 41 46 0
# HA/HB2 K3
240 7.672 0.963 0 U 1.096e+03 0.00e+00 - 0 17 85 0
# H/HD1 L11
241 7.672 4.282 0 U 7.974e+03 0.00e+00 - 0 17 33 0
# H/HA L11
242 7.672 7.825 0 U 9.266e+03 0.00e+00 - 0 17 13 0
# H L11/H F10
243 7.672 7.672 0 U 4.106e+05 0.00e+00 - 0 17 17 0
# H/H L11
244 7.672 3.154 0 U 3.030e+03 0.00e+00 - 0 17 28 0
# H L11/HB F10
245 7.672 1.718 0 U 1.001e+04 0.00e+00 - 0 17 37 0
# H/HB2 L11
246 7.672 4.530 0 U 3.546e+03 0.00e+00 - 0 17 26 0
# H L11/HA F10
247 7.672 1.682 0 U 3.753e+03 0.00e+00 - 0 17 156 0
# H/HB3 L11
248 7.672 0.916 0 U 1.897e+03 0.00e+00 - 0 17 86 0
# H/HD2 L11
249 7.672 1.642 0 U 3.290e+03 0.00e+00 - 0 17 35 0
# H/HG L11
250 1.415 1.882 0 U -2.058e+04 0.00e+00 - 0 126 123 0
# HG/HB K1
251 1.415 4.023 0 U 8.574e+02 0.00e+00 - 0 126 122 0
# HG/HA K1
252 1.415 1.415 0 U 6.356e+05 0.00e+00 - 0 126 126 0
# HG/HG K1
253 1.415 1.728 0 U 8.440e+03 0.00e+00 - 0 126 125 0
# HG/HD K1
254 1.415 3.022 0 U 3.789e+02 0.00e+00 - 0 126 124 0
# HG/HE K1
255 3.960 0.863 0 U 3.243e+03 0.00e+00 - 0 67 69 0
# HA/HG1 V5
256 3.960 8.033 0 U 1.821e+03 0.00e+00 - 0 67 9 0
# HA/H V5
257 3.960 1.876 0 U 3.245e+02 0.00e+00 - 0 67 68 0
# HA/HB V5
258 3.960 8.170 0 U 5.720e+03 0.00e+00 - 0 67 3 0
# HA V5/H I6
259 3.960 3.960 0 U 1.274e+05 0.00e+00 - 0 67 67 0
# HA/HA V5
260 3.960 0.637 0 U 3.034e+03 0.00e+00 - 0 67 70 0
# HA/HG2 V5
261 2.922 1.667 0 U 8.514e+02 0.00e+00 - 0 75 78 0
# HE/HD K8
262 2.922 1.749 0 U 1.117e+03 0.00e+00 - 0 75 77 0
# HE/HB K8
263 2.922 2.922 0 U 1.008e+06 0.00e+00 - 0 75 75 0
# HE/HE K8
264 2.922 4.017 0 U -1.349e+01 0.00e+00 - 0 75 74 0
# HE/HA K8
265 2.922 7.687 0 U 3.441e+02 0.00e+00 - 0 75 157 0
# HE/HZ K8
266 2.922 7.989 0 U 6.110e+00 0.00e+00 - 0 75 15 0
# HE/H K8
267 2.922 1.198 0 U 5.505e+03 0.00e+00 - 0 75 80 0
# HE/HG K8
268 1.454 0.873 0 U 4.377e+03 0.00e+00 - 0 153 150 0
# HG12/HG2 I6
269 1.454 1.189 0 U 4.206e+04 0.00e+00 - 0 153 155 0
# HG12/HG13 I6
270 1.454 8.170 0 U 2.631e+03 0.00e+00 - 0 153 3 0
# HG12/H I6
271 1.454 1.454 0 U 4.213e+05 0.00e+00 - 0 153 153 0
# HG12/HG12 I6
272 1.454 4.152 0 U 1.579e+03 0.00e+00 - 0 153 38 0
# HG12/HA I6
273 1.454 1.938 0 U 3.606e+03 0.00e+00 - 0 153 103 0
# HG12/HB I6
274 1.454 0.838 0 U 4.921e+02 0.00e+00 - 0 153 151 0
# HG12/HD1 I6
275 1.727 1.431 0 U -1.514e+04 0.00e+00 - 0 43 45 0
# HD/HG3 K3
276 1.727 1.363 0 U -8.308e+02 0.00e+00 - 0 43 44 0
# HD/HG2 K3
277 1.727 4.240 0 U 6.488e+02 0.00e+00 - 0 43 41 0
# HD/HA K3
278 1.727 1.727 0 U -1.202e+08 0.00e+00 - 0 43 43 0
# HD/HD K3
279 1.727 7.701 0 U -1.621e+03 0.00e+00 - 0 43 158 0
# HD/HZ K3
280 1.727 3.161 0 U -2.250e+02 0.00e+00 - 0 43 42 0
# HD/HE K3
281 1.727 1.739 0 U -2.709e+06 0.00e+00 - 0 43 47 0
# HD/HB3 K3
282 1.727 8.358 0 U 1.685e+03 0.00e+00 - 0 43 1 0
# HD/H K3
283 1.727 1.792 0 U 1.513e+05 0.00e+00 - 0 43 46 0
# HD/HB2 K3
284 1.714 1.374 0 U 5.158e+03 0.00e+00 - 0 72 52 0
# HD/HG2 K4
285 1.714 1.448 0 U 3.669e+04 0.00e+00 - 0 72 73 0
# HD/HG3 K4
286 1.714 7.685 0 U -2.517e+03 0.00e+00 - 0 72 159 0
# HD/HZ K4
287 1.714 1.787 0 U 8.844e+04 0.00e+00 - 0 72 49 0
# HD/HB K4
288 1.714 1.714 0 U -9.041e+06 0.00e+00 - 0 72 72 0
# HD/HD K4
289 1.714 4.175 0 U 1.669e+03 0.00e+00 - 0 72 48 0
# HD/HA K4
290 1.714 8.097 0 U 1.612e+03 0.00e+00 - 0 72 7 0
# HD/H K4
291 1.714 2.989 0 U -1.755e+04 0.00e+00 - 0 72 71 0
# HD/HE K4
292 3.119 9.026 0 U 6.798e+02 0.00e+00 - 0 83 21 0
# HB2/H F2
293 3.119 7.211 0 U -1.944e+01 0.00e+00 - 0 83 139 0
# HB2/HZ F2
294 3.119 3.155 0 U 1.065e+05 0.00e+00 - 0 83 84 0
# HB2/HB3 F2
295 3.119 3.119 0 U 1.515e+05 0.00e+00 - 0 83 83 0
# HB2/HB2 F2
296 3.119 7.324 0 U 3.964e+03 0.00e+00 - 0 83 137 0
# HB2/HD F2
297 3.119 4.639 0 U 5.293e+03 0.00e+00 - 0 83 82 0
# HB2/HA F2
298 3.119 7.289 0 U -8.828e+02 0.00e+00 - 0 83 136 0
# HB2/HE F2
299 3.119 8.358 0 U 1.599e+03 0.00e+00 - 0 83 1 0
# HB2 F2/H K3
300 7.701 1.431 0 U -5.240e+01 0.00e+00 - 0 158 45 0
# HZ/HG3 K3
301 7.701 1.363 0 U 4.629e+01 0.00e+00 - 0 158 44 0
# HZ/HG2 K3
302 7.701 4.240 0 U -3.546e+01 0.00e+00 - 0 158 41 0
# HZ/HA K3
303 7.701 1.727 0 U 1.392e+03 0.00e+00 - 0 158 43 0
# HZ/HD K3
304 7.701 7.701 0 U 2.090e+04 0.00e+00 - 0 158 158 0
# HZ/HZ K3
305 7.701 3.161 0 U 1.348e+02 0.00e+00 - 0 158 42 0
# HZ/HE K3
306 7.701 1.739 0 U -4.188e+02 0.00e+00 - 0 158 47 0
# HZ/HB3 K3
307 7.701 8.358 0 U -3.268e+01 0.00e+00 - 0 158 1 0
# HZ/H K3
308 7.701 1.792 0 U -1.571e+01 0.00e+00 - 0 158 46 0
# HZ/HB2 K3
309 4.175 1.374 0 U 2.978e+02 0.00e+00 - 0 48 52 0
# HA/HG2 K4
310 4.175 8.033 0 U 2.244e+03 0.00e+00 - 0 48 9 0
# HA K4/H V5
311 4.175 1.448 0 U 3.791e+02 0.00e+00 - 0 48 73 0
# HA/HG3 K4
312 4.175 7.685 0 U 4.100e+01 0.00e+00 - 0 48 159 0
# HA/HZ K4
313 4.175 1.787 0 U 2.304e+03 0.00e+00 - 0 48 49 0
# HA/HB K4
314 4.175 1.714 0 U 1.600e+02 0.00e+00 - 0 48 72 0
# HA/HD K4
315 4.175 4.175 0 U 5.275e+04 0.00e+00 - 0 48 48 0
# HA/HA K4
316 4.175 8.097 0 U 8.756e+02 0.00e+00 - 0 48 7 0
# HA/H K4
317 4.175 2.989 0 U 3.278e+02 0.00e+00 - 0 48 71 0
# HA/HE K4
318 3.812 7.915 0 U 2.412e+03 0.00e+00 - 0 31 19 0
# HB/H S9
319 3.812 7.825 0 U 8.743e+02 0.00e+00 - 0 31 13 0
# HB S9/H F10
320 3.812 3.812 0 U 1.591e+05 0.00e+00 - 0 31 31 0
# HB/HB S9
321 3.812 4.266 0 U 4.939e+03 0.00e+00 - 0 31 30 0
# HB/HA S9
322 8.097 1.374 0 U 2.441e+03 0.00e+00 - 0 7 52 0
# H/HG2 K4
323 8.097 1.448 0 U 3.239e+03 0.00e+00 - 0 7 73 0
# H/HG3 K4
324 8.097 7.685 0 U 3.438e+02 0.00e+00 - 0 7 159 0
# H/HZ K4
325 8.097 1.787 0 U 1.352e+04 0.00e+00 - 0 7 49 0
# H/HB K4
326 8.097 4.240 0 U 1.893e+04 0.00e+00 - 0 7 41 0
# H K4/HA K3
327 8.097 1.714 0 U 2.721e+03 0.00e+00 - 0 7 72 0
# H/HD K4
328 8.097 4.175 0 U 8.650e+03 0.00e+00 - 0 7 48 0
# H/HA K4
329 8.097 8.097 0 U 4.291e+05 0.00e+00 - 0 7 7 0
# H/H K4
330 8.097 2.989 0 U 3.356e+02 0.00e+00 - 0 7 71 0
# H/HE K4
331 8.097 8.358 0 U 4.077e+03 0.00e+00 - 0 7 1 0
# H K4/H K3
332 7.324 9.026 0 U -1.880e+02 0.00e+00 - 0 137 21 0
# HD/H F2
333 7.324 7.211 0 U 3.326e+04 0.00e+00 - 0 137 139 0
# HD/HZ F2
334 7.324 3.155 0 U 1.045e+04 0.00e+00 - 0 137 84 0
# HD/HB3 F2
335 7.324 3.119 0 U 2.731e+03 0.00e+00 - 0 137 83 0
# HD/HB2 F2
336 7.324 7.324 0 U 3.086e+06 0.00e+00 - 0 137 137 0
# HD/HD F2
337 7.324 4.639 0 U 6.361e+03 0.00e+00 - 0 137 82 0
# HD/HA F2
338 7.324 7.289 0 U -1.071e+06 0.00e+00 - 0 137 136 0
# HD/HE F2
339 7.136 4.282 0 U 3.220e+03 0.00e+00 - 0 147 33 0
# HH2 W7/HA L11
340 7.136 6.981 0 U 5.052e+03 0.00e+00 - 0 147 149 0
# HH2/HZ3 W7
341 7.136 7.517 0 U 4.203e+02 0.00e+00 - 0 147 143 0
# HH2/HE3 W7
342 7.136 3.305 0 U 6.636e+01 0.00e+00 - 0 147 32 0
# HH2/HB W7
343 7.136 7.136 0 U 5.138e+05 0.00e+00 - 0 147 147 0
# HH2/HH2 W7
344 7.136 7.485 0 U 1.380e+03 0.00e+00 - 0 147 141 0
# HH2/HZ2 W7
345 7.136 10.610 0 U 0.000e+00 0.00e+00 - 0 147 23 0
# HH2/HE1 W7
346 7.136 4.454 0 U 1.354e+02 0.00e+00 - 0 147 29 0
# HH2/HA W7
347 7.136 7.366 0 U 4.912e+02 0.00e+00 - 0 147 145 0
# HH2/HD1 W7
348 7.136 7.947 0 U -1.522e+02 0.00e+00 - 0 147 5 0
# HH2/H W7
349 4.152 0.873 0 U 1.331e+03 0.00e+00 - 0 38 150 0
# HA/HG2 I6
350 4.152 1.189 0 U 5.296e+02 0.00e+00 - 0 38 155 0
# HA/HG13 I6
351 4.152 8.170 0 U 7.282e+02 0.00e+00 - 0 38 3 0
# HA/H I6
352 4.152 1.454 0 U 2.724e+02 0.00e+00 - 0 38 153 0
# HA/HG12 I6
353 4.152 4.152 0 U 3.913e+04 0.00e+00 - 0 38 38 0
# HA/HA I6
354 4.152 1.938 0 U 5.207e+02 0.00e+00 - 0 38 103 0
# HA/HB I6
355 4.152 0.838 0 U -2.293e+01 0.00e+00 - 0 38 151 0
# HA/HD1 I6
356 4.152 7.947 0 U 2.101e+03 0.00e+00 - 0 38 5 0
# HA I6/H W7
357 1.728 1.882 0 U 4.982e+03 0.00e+00 - 0 125 123 0
# HD/HB K1
358 1.728 4.023 0 U 3.168e+03 0.00e+00 - 0 125 122 0
# HD/HA K1
359 1.728 1.415 0 U 9.283e+03 0.00e+00 - 0 125 126 0
# HD/HG K1
360 1.728 1.728 0 U 1.177e+08 0.00e+00 - 0 125 125 0
# HD/HD K1
361 1.728 3.022 0 U 3.623e+03 0.00e+00 - 0 125 124 0
# HD/HE K1
362 4.017 7.915 0 U 1.217e+03 0.00e+00 - 0 74 19 0
# HA K8/H S9
363 4.017 1.667 0 U 7.755e+03 0.00e+00 - 0 74 78 0
# HA/HD K8
364 4.017 1.749 0 U 1.034e+03 0.00e+00 - 0 74 77 0
# HA/HB K8
365 4.017 2.922 0 U 3.009e+02 0.00e+00 - 0 74 75 0
# HA/HE K8
366 4.017 4.017 0 U 5.653e+04 0.00e+00 - 0 74 74 0
# HA/HA K8
367 4.017 7.687 0 U 2.620e+02 0.00e+00 - 0 74 157 0
# HA/HZ K8
368 4.017 7.989 0 U 1.699e+03 0.00e+00 - 0 74 15 0
# HA/H K8
369 4.017 1.198 0 U 2.082e+03 0.00e+00 - 0 74 80 0
# HA/HG K8
370 1.938 0.873 0 U 1.112e+04 0.00e+00 - 0 103 150 0
# HB/HG2 I6
371 1.938 1.189 0 U 7.490e+03 0.00e+00 - 0 103 155 0
# HB/HG13 I6
372 1.938 8.170 0 U 7.181e+03 0.00e+00 - 0 103 3 0
# HB/H I6
373 1.938 1.454 0 U 5.540e+03 0.00e+00 - 0 103 153 0
# HB/HG12 I6
374 1.938 4.152 0 U 5.068e+03 0.00e+00 - 0 103 38 0
# HB/HA I6
375 1.938 1.938 0 U 2.525e+05 0.00e+00 - 0 103 103 0
# HB/HB I6
376 1.938 0.838 0 U 1.842e+03 0.00e+00 - 0 103 151 0
# HB/HD1 I6
377 1.938 7.947 0 U 2.576e+03 0.00e+00 - 0 103 5 0
# HB I6/H W7
378 3.161 1.431 0 U 4.385e+02 0.00e+00 - 0 42 45 0
# HE/HG3 K3
379 3.161 1.363 0 U 2.145e+02 0.00e+00 - 0 42 44 0
# HE/HG2 K3
380 3.161 4.240 0 U 3.781e+02 0.00e+00 - 0 42 41 0
# HE/HA K3
381 3.161 1.727 0 U 1.525e+03 0.00e+00 - 0 42 43 0
# HE/HD K3
382 3.161 7.701 0 U -4.587e+02 0.00e+00 - 0 42 158 0
# HE/HZ K3
383 3.161 3.161 0 U -1.921e+05 0.00e+00 - 0 42 42 0
# HE/HE K3
384 3.161 1.739 0 U -6.058e+02 0.00e+00 - 0 42 47 0
# HE/HB3 K3
385 3.161 8.358 0 U 5.838e+02 0.00e+00 - 0 42 1 0
# HE/H K3
386 3.161 1.792 0 U 3.857e+02 0.00e+00 - 0 42 46 0
# HE/HB2 K3
387 3.154 7.246 0 U 2.393e+03 0.00e+00 - 0 28 128 0
# HB/HZ F10
388 3.154 7.825 0 U 7.777e+03 0.00e+00 - 0 28 13 0
# HB/H F10
389 3.154 7.349 0 U 1.817e+05 0.00e+00 - 0 28 132 0
# HB/HD F10
390 3.154 7.672 0 U 2.429e+03 0.00e+00 - 0 28 17 0
# HB F10/H L11
391 3.154 3.154 0 U -2.444e+06 0.00e+00 - 0 28 28 0
# HB/HB F10
392 3.154 7.347 0 U -1.990e+05 0.00e+00 - 0 28 130 0
# HB/HE F10
393 3.154 4.530 0 U 7.950e+03 0.00e+00 - 0 28 26 0
# HB/HA F10
394 7.347 7.246 0 U 3.226e+05 0.00e+00 - 0 130 128 0
# HE/HZ F10
395 7.347 7.825 0 U 1.102e+03 0.00e+00 - 0 130 13 0
# HE/H F10
396 7.347 7.349 0 U 4.183e+07 0.00e+00 - 0 130 132 0
# HE/HD F10
397 7.347 3.154 0 U -5.030e+03 0.00e+00 - 0 130 28 0
# HE/HB F10
398 7.347 7.347 0 U -4.046e+07 0.00e+00 - 0 130 130 0
# HE/HE F10
399 7.347 4.530 0 U 3.312e+03 0.00e+00 - 0 130 26 0
# HE/HA F10
400 2.989 1.374 0 U 2.869e+03 0.00e+00 - 0 71 52 0
# HE/HG2 K4
401 2.989 1.448 0 U 2.977e+03 0.00e+00 - 0 71 73 0
# HE/HG3 K4
402 2.989 7.685 0 U -3.121e+01 0.00e+00 - 0 71 159 0
# HE/HZ K4
403 2.989 1.787 0 U 1.598e+03 0.00e+00 - 0 71 49 0
# HE/HB K4
404 2.989 1.714 0 U -1.492e+04 0.00e+00 - 0 71 72 0
# HE/HD K4
405 2.989 4.175 0 U 2.242e+02 0.00e+00 - 0 71 48 0
# HE/HA K4
406 2.989 8.097 0 U 6.774e+01 0.00e+00 - 0 71 7 0
# HE/H K4
407 2.989 2.989 0 U 1.692e+06 0.00e+00 - 0 71 71 0
# HE/HE K4
408 4.639 9.026 0 U -1.402e+02 0.00e+00 - 0 82 21 0
# HA/H F2
409 4.639 7.211 0 U -3.427e+02 0.00e+00 - 0 82 139 0
# HA/HZ F2
410 4.639 3.155 0 U -1.279e+03 0.00e+00 - 0 82 84 0
# HA/HB3 F2
411 4.639 3.119 0 U -1.479e+02 0.00e+00 - 0 82 83 0
# HA/HB2 F2
412 4.639 7.324 0 U -2.221e+03 0.00e+00 - 0 82 137 0
# HA/HD F2
413 4.639 4.639 0 U 1.190e+02 0.00e+00 - 0 82 82 0
# HA/HA F2
414 4.639 7.289 0 U 4.193e+02 0.00e+00 - 0 82 136 0
# HA/HE F2
415 4.639 8.358 0 U -3.606e+02 0.00e+00 - 0 82 1 0
# HA F2/H K3
416 7.485 6.981 0 U 4.652e+03 0.00e+00 - 0 141 149 0
# HZ2/HZ3 W7
417 7.485 7.517 0 U -4.810e+05 0.00e+00 - 0 141 143 0
# HZ2/HE3 W7
418 7.485 3.305 0 U 1.016e+04 0.00e+00 - 0 141 32 0
# HZ2/HB W7
419 7.485 7.136 0 U 1.348e+03 0.00e+00 - 0 141 147 0
# HZ2/HH2 W7
420 7.485 7.485 0 U 1.123e+06 0.00e+00 - 0 141 141 0
# HZ2/HZ2 W7
421 7.485 10.610 0 U 0.000e+00 0.00e+00 - 0 141 23 0
# HZ2/HE1 W7
422 7.485 4.454 0 U 9.156e+03 0.00e+00 - 0 141 29 0
# HZ2/HA W7
423 7.485 7.366 0 U 2.880e+03 0.00e+00 - 0 141 145 0
# HZ2/HD1 W7
424 7.485 7.947 0 U 1.102e+03 0.00e+00 - 0 141 5 0
# HZ2/H W7
425 7.687 1.667 0 U -2.575e+02 0.00e+00 - 0 157 78 0
# HZ/HD K8
426 7.687 1.749 0 U -2.766e+02 0.00e+00 - 0 157 77 0
# HZ/HB K8
427 7.687 2.922 0 U 1.898e+03 0.00e+00 - 0 157 75 0
# HZ/HE K8
428 7.687 4.017 0 U 5.045e+02 0.00e+00 - 0 157 74 0
# HZ/HA K8
429 7.687 7.687 0 U 2.144e+05 0.00e+00 - 0 157 157 0
# HZ/HZ K8
430 7.687 7.989 0 U 2.426e+02 0.00e+00 - 0 157 15 0
# HZ/H K8
431 7.687 1.198 0 U 2.979e+02 0.00e+00 - 0 157 80 0
# HZ/HG K8
432 1.739 1.431 0 U 2.636e+03 0.00e+00 - 0 47 45 0
# HB3/HG3 K3
433 1.739 1.363 0 U 1.790e+03 0.00e+00 - 0 47 44 0
# HB3/HG2 K3
434 1.739 4.240 0 U 4.406e+03 0.00e+00 - 0 47 41 0
# HB3/HA K3
435 1.739 1.727 0 U -1.727e+06 0.00e+00 - 0 47 43 0
# HB3/HD K3
436 1.739 7.701 0 U 1.933e+02 0.00e+00 - 0 47 158 0
# HB3/HZ K3
437 1.739 3.161 0 U 1.003e+02 0.00e+00 - 0 47 42 0
# HB3/HE K3
438 1.739 1.739 0 U -5.401e+06 0.00e+00 - 0 47 47 0
# HB3/HB3 K3
439 1.739 8.358 0 U 2.463e+03 0.00e+00 - 0 47 1 0
# HB3/H K3
440 1.739 1.792 0 U 1.432e+04 0.00e+00 - 0 47 46 0
# HB3/HB2 K3
441 4.266 7.915 0 U 3.758e+02 0.00e+00 - 0 30 19 0
# HA/H S9
442 4.266 7.825 0 U 4.029e+02 0.00e+00 - 0 30 13 0
# HA S9/H F10
443 4.266 3.812 0 U -3.966e+03 0.00e+00 - 0 30 31 0
# HA/HB S9
444 4.266 4.266 0 U 4.129e+04 0.00e+00 - 0 30 30 0
# HA/HA S9
445 7.289 9.026 0 U -1.797e+01 0.00e+00 - 0 136 21 0
# HE/H F2
446 7.289 7.211 0 U 5.902e+03 0.00e+00 - 0 136 139 0
# HE/HZ F2
447 7.289 3.155 0 U 9.730e+02 0.00e+00 - 0 136 84 0
# HE/HB3 F2
448 7.289 3.119 0 U 4.775e+02 0.00e+00 - 0 136 83 0
# HE/HB2 F2
449 7.289 7.324 0 U -1.117e+05 0.00e+00 - 0 136 137 0
# HE/HD F2
450 7.289 4.639 0 U 8.961e+01 0.00e+00 - 0 136 82 0
# HE/HA F2
451 7.289 7.289 0 U 4.304e+05 0.00e+00 - 0 136 136 0
# HE/HE F2
452 1.718 0.963 0 U 6.701e+03 0.00e+00 - 0 37 85 0
# HB2/HD1 L11
453 1.718 4.282 0 U 5.568e+03 0.00e+00 - 0 37 33 0
# HB2/HA L11
454 1.718 7.672 0 U 8.747e+03 0.00e+00 - 0 37 17 0
# HB2/H L11
455 1.718 1.718 0 U 2.129e+07 0.00e+00 - 0 37 37 0
# HB2/HB2 L11
456 1.718 1.682 0 U -5.797e+05 0.00e+00 - 0 37 156 0
# HB2/HB3 L11
457 1.718 0.916 0 U 4.694e+03 0.00e+00 - 0 37 86 0
# HB2/HD2 L11
458 1.718 1.642 0 U 2.508e+05 0.00e+00 - 0 37 35 0
# HB2/HG L11
459 7.989 1.667 0 U 8.766e+03 0.00e+00 - 0 15 78 0
# H/HD K8
460 7.989 1.749 0 U 4.996e+03 0.00e+00 - 0 15 77 0
# H/HB K8
461 7.989 3.305 0 U 5.510e+03 0.00e+00 - 0 15 32 0
# H K8/HB W7
462 7.989 2.922 0 U 3.005e+02 0.00e+00 - 0 15 75 0
# H/HE K8
463 7.989 4.017 0 U 7.419e+03 0.00e+00 - 0 15 74 0
# H/HA K8
464 7.989 7.687 0 U 6.115e+02 0.00e+00 - 0 15 157 0
# H/HZ K8
465 7.989 7.989 0 U 2.550e+05 0.00e+00 - 0 15 15 0
# H/H K8
466 7.989 1.198 0 U 5.539e+03 0.00e+00 - 0 15 80 0
# H/HG K8
467 7.989 4.454 0 U 5.892e+03 0.00e+00 - 0 15 29 0
# H K8/HA W7
468 3.022 1.882 0 U 4.044e+02 0.00e+00 - 0 124 123 0
# HE/HB K1
469 3.022 4.023 0 U -4.592e+02 0.00e+00 - 0 124 122 0
# HE/HA K1
470 3.022 1.415 0 U 1.083e+03 0.00e+00 - 0 124 126 0
# HE/HG K1
471 3.022 1.728 0 U 8.447e+03 0.00e+00 - 0 124 125 0
# HE/HD K1
472 3.022 3.022 0 U 2.978e+05 0.00e+00 - 0 124 124 0
# HE/HE K1
473 8.358 1.431 0 U 3.058e+03 0.00e+00 - 0 1 45 0
# H/HG3 K3
474 8.358 1.363 0 U 1.910e+03 0.00e+00 - 0 1 44 0
# H/HG2 K3
475 8.358 3.155 0 U -3.493e+03 0.00e+00 - 0 1 84 0
# H K3/HB3 F2
476 8.358 4.240 0 U 5.934e+03 0.00e+00 - 0 1 41 0
# H/HA K3
477 8.358 1.727 0 U 2.842e+03 0.00e+00 - 0 1 43 0
# H/HD K3
478 8.358 3.119 0 U 1.519e+03 0.00e+00 - 0 1 83 0
# H K3/HB2 F2
479 8.358 7.701 0 U 1.959e+02 0.00e+00 - 0 1 158 0
# H/HZ K3
480 8.358 8.097 0 U 4.136e+03 0.00e+00 - 0 1 7 0
# H K3/H K4
481 8.358 3.161 0 U 5.768e+03 0.00e+00 - 0 1 42 0
# H/HE K3
482 8.358 4.639 0 U 1.678e+04 0.00e+00 - 0 1 82 0
# H K3/HA F2
483 8.358 1.739 0 U 4.282e+03 0.00e+00 - 0 1 47 0
# H/HB3 K3
484 8.358 8.358 0 U 3.305e+05 0.00e+00 - 0 1 1 0
# H/H K3
485 8.358 1.792 0 U 3.184e+03 0.00e+00 - 0 1 46 0
# H/HB2 K3
486 0.838 0.873 0 U -1.128e+06 0.00e+00 - 0 151 150 0
# HD1/HG2 I6
487 0.838 1.189 0 U 6.085e+03 0.00e+00 - 0 151 155 0
# HD1/HG13 I6
488 0.838 8.170 0 U 1.468e+03 0.00e+00 - 0 151 3 0
# HD1/H I6
489 0.838 1.454 0 U 3.204e+03 0.00e+00 - 0 151 153 0
# HD1/HG12 I6
490 0.838 4.152 0 U 4.226e+03 0.00e+00 - 0 151 38 0
# HD1/HA I6
491 0.838 1.938 0 U 6.146e+03 0.00e+00 - 0 151 103 0
# HD1/HB I6
492 0.838 0.838 0 U 2.850e+06 0.00e+00 - 0 151 151 0
# HD1/HD1 I6
493 10.610 6.981 0 U 0.000e+00 0.00e+00 - 0 23 149 0
# HE1/HZ3 W7
494 10.610 7.517 0 U 0.000e+00 0.00e+00 - 0 23 143 0
# HE1/HE3 W7
495 10.610 3.305 0 U 0.000e+00 0.00e+00 - 0 23 32 0
# HE1/HB W7
496 10.610 7.136 0 U 0.000e+00 0.00e+00 - 0 23 147 0
# HE1/HH2 W7
497 10.610 7.485 0 U 0.000e+00 0.00e+00 - 0 23 141 0
# HE1/HZ2 W7
498 10.610 10.610 0 U 0.000e+00 0.00e+00 - 0 23 23 0
# HE1/HE1 W7
499 10.610 4.454 0 U 0.000e+00 0.00e+00 - 0 23 29 0
# HE1/HA W7
500 10.610 7.366 0 U 0.000e+00 0.00e+00 - 0 23 145 0
# HE1/HD1 W7
501 10.610 7.947 0 U 0.000e+00 0.00e+00 - 0 23 5 0
# HE1/H W7
502 4.530 7.246 0 U -2.193e+01 0.00e+00 - 0 26 128 0
# HA/HZ F10
503 4.530 7.825 0 U 2.399e+02 0.00e+00 - 0 26 13 0
# HA/H F10
504 4.530 7.349 0 U -2.429e+03 0.00e+00 - 0 26 132 0
# HA/HD F10
505 4.530 7.672 0 U -3.494e+01 0.00e+00 - 0 26 17 0
# HA F10/H L11
506 4.530 3.154 0 U -3.315e+03 0.00e+00 - 0 26 28 0
# HA/HB F10
507 4.530 7.347 0 U 2.348e+03 0.00e+00 - 0 26 130 0
# HA/HE F10
508 4.530 4.530 0 U 1.858e+03 0.00e+00 - 0 26 26 0
# HA/HA F10
509 0.637 0.863 0 U 2.122e+04 0.00e+00 - 0 70 69 0
# HG2/HG1 V5
510 0.637 8.033 0 U 2.441e+03 0.00e+00 - 0 70 9 0
# HG2/H V5
511 0.637 1.876 0 U 2.567e+02 0.00e+00 - 0 70 68 0
# HG2/HB V5
512 0.637 8.170 0 U 3.702e+03 0.00e+00 - 0 70 3 0
# HG2 V5/H I6
513 0.637 3.960 0 U 8.200e+03 0.00e+00 - 0 70 67 0
# HG2/HA V5
514 0.637 0.637 0 U 1.339e+06 0.00e+00 - 0 70 70 0
# HG2/HG2 V5
515 1.198 7.915 0 U 7.189e+02 0.00e+00 - 0 80 19 0
# HG K8/H S9
516 1.198 1.667 0 U -6.844e+03 0.00e+00 - 0 80 78 0
# HG/HD K8
517 1.198 1.749 0 U -4.091e+03 0.00e+00 - 0 80 77 0
# HG/HB K8
518 1.198 2.922 0 U 4.222e+03 0.00e+00 - 0 80 75 0
# HG/HE K8
519 1.198 4.017 0 U 3.622e+03 0.00e+00 - 0 80 74 0
# HG/HA K8
520 1.198 7.687 0 U 1.273e+02 0.00e+00 - 0 80 157 0
# HG/HZ K8
521 1.198 7.989 0 U 2.255e+03 0.00e+00 - 0 80 15 0
# HG/H K8
522 1.198 1.198 0 U 1.811e+06 0.00e+00 - 0 80 80 0
# HG/HG K8
523 1.682 0.963 0 U 7.679e+03 0.00e+00 - 0 156 85 0
# HB3/HD1 L11
524 1.682 4.282 0 U 4.152e+03 0.00e+00 - 0 156 33 0
# HB3/HA L11
525 1.682 7.672 0 U 4.177e+03 0.00e+00 - 0 156 17 0
# HB3/H L11
526 1.682 1.718 0 U 3.417e+04 0.00e+00 - 0 156 37 0
# HB3/HB2 L11
527 1.682 1.682 0 U 1.096e+06 0.00e+00 - 0 156 156 0
# HB3/HB3 L11
528 1.682 0.916 0 U 1.205e+04 0.00e+00 - 0 156 86 0
# HB3/HD2 L11
529 1.682 1.642 0 U -2.079e+05 0.00e+00 - 0 156 35 0
# HB3/HG L11
530 1.792 1.431 0 U -5.348e+02 0.00e+00 - 0 46 45 0
# HB2/HG3 K3
531 1.792 1.363 0 U -8.016e+03 0.00e+00 - 0 46 44 0
# HB2/HG2 K3
532 1.792 4.240 0 U 3.339e+03 0.00e+00 - 0 46 41 0
# HB2/HA K3
533 1.792 1.727 0 U 4.907e+04 0.00e+00 - 0 46 43 0
# HB2/HD K3
534 1.792 7.701 0 U -3.300e+01 0.00e+00 - 0 46 158 0
# HB2/HZ K3
535 1.792 3.161 0 U 8.640e+01 0.00e+00 - 0 46 42 0
# HB2/HE K3
536 1.792 1.739 0 U 3.921e+04 0.00e+00 - 0 46 47 0
# HB2/HB3 K3
537 1.792 8.358 0 U 2.597e+03 0.00e+00 - 0 46 1 0
# HB2/H K3
538 1.792 1.792 0 U 3.859e+05 0.00e+00 - 0 46 46 0
# HB2/HB2 K3
539 4.454 6.981 0 U -1.435e+01 0.00e+00 - 0 29 149 0
# HA/HZ3 W7
540 4.454 7.517 0 U 6.850e+01 0.00e+00 - 0 29 143 0
# HA/HE3 W7
541 4.454 3.305 0 U -4.498e+02 0.00e+00 - 0 29 32 0
# HA/HB W7
542 4.454 7.136 0 U -4.107e+01 0.00e+00 - 0 29 147 0
# HA/HH2 W7
543 4.454 7.485 0 U 6.969e+01 0.00e+00 - 0 29 141 0
# HA/HZ2 W7
544 4.454 7.989 0 U 5.713e+00 0.00e+00 - 0 29 15 0
# HA W7/H K8
545 4.454 10.610 0 U 0.000e+00 0.00e+00 - 0 29 23 0
# HA/HE1 W7
546 4.454 4.454 0 U 3.927e+03 0.00e+00 - 0 29 29 0
# HA/HA W7
547 4.454 7.366 0 U -8.652e+01 0.00e+00 - 0 29 145 0
# HA/HD1 W7
548 4.454 7.947 0 U 2.281e+01 0.00e+00 - 0 29 5 0
# HA/H W7
549 0.916 0.963 0 U -4.557e+05 0.00e+00 - 0 86 85 0
# HD2/HD1 L11
550 0.916 4.282 0 U 1.359e+04 0.00e+00 - 0 86 33 0
# HD2/HA L11
551 0.916 7.672 0 U 1.936e+03 0.00e+00 - 0 86 17 0
# HD2/H L11
552 0.916 1.718 0 U 1.466e+02 0.00e+00 - 0 86 37 0
# HD2/HB2 L11
553 0.916 1.682 0 U 2.005e+04 0.00e+00 - 0 86 156 0
# HD2/HB3 L11
554 0.916 0.916 0 U 2.523e+06 0.00e+00 - 0 86 86 0
# HD2/HD2 L11
555 0.916 1.642 0 U 4.896e+03 0.00e+00 - 0 86 35 0
# HD2/HG L11
556 7.366 6.981 0 U 5.568e+02 0.00e+00 - 0 145 149 0
# HD1/HZ3 W7
557 7.366 7.517 0 U -1.574e+03 0.00e+00 - 0 145 143 0
# HD1/HE3 W7
558 7.366 3.305 0 U 1.142e+04 0.00e+00 - 0 145 32 0
# HD1/HB W7
559 7.366 7.136 0 U 9.051e+02 0.00e+00 - 0 145 147 0
# HD1/HH2 W7
560 7.366 7.485 0 U 3.313e+03 0.00e+00 - 0 145 141 0
# HD1/HZ2 W7
561 7.366 10.610 0 U 0.000e+00 0.00e+00 - 0 145 23 0
# HD1/HE1 W7
562 7.366 4.454 0 U 3.574e+03 0.00e+00 - 0 145 29 0
# HD1/HA W7
563 7.366 7.366 0 U 9.631e+05 0.00e+00 - 0 145 145 0
# HD1/HD1 W7
564 7.366 7.947 0 U 7.999e+03 0.00e+00 - 0 145 5 0
# HD1/H W7
565 1.642 0.963 0 U 5.851e+03 0.00e+00 - 0 35 85 0
# HG/HD1 L11
566 1.642 4.282 0 U 2.828e+03 0.00e+00 - 0 35 33 0
# HG/HA L11
567 1.642 7.672 0 U 3.384e+03 0.00e+00 - 0 35 17 0
# HG/H L11
568 1.642 1.718 0 U 1.187e+05 0.00e+00 - 0 35 37 0
# HG/HB2 L11
569 1.642 1.682 0 U -6.056e+04 0.00e+00 - 0 35 156 0
# HG/HB3 L11
570 1.642 0.916 0 U 6.310e+03 0.00e+00 - 0 35 86 0
# HG/HD2 L11
571 1.642 1.642 0 U 6.715e+05 0.00e+00 - 0 35 35 0
# HG/HG L11
572 7.947 0.873 0 U 4.560e+03 0.00e+00 - 0 5 150 0
# H W7/HG2 I6
573 7.947 6.981 0 U 5.053e+01 0.00e+00 - 0 5 149 0
# H/HZ3 W7
574 7.947 8.170 0 U 4.792e+03 0.00e+00 - 0 5 3 0
# H W7/H I6
575 7.947 7.517 0 U -5.811e+02 0.00e+00 - 0 5 143 0
# H/HE3 W7
576 7.947 3.305 0 U 1.235e+04 0.00e+00 - 0 5 32 0
# H/HB W7
577 7.947 7.136 0 U 1.545e+02 0.00e+00 - 0 5 147 0
# H/HH2 W7
578 7.947 4.152 0 U 1.793e+04 0.00e+00 - 0 5 38 0
# H W7/HA I6
579 7.947 1.938 0 U 3.816e+03 0.00e+00 - 0 5 103 0
# H W7/HB I6
580 7.947 7.485 0 U 1.848e+03 0.00e+00 - 0 5 141 0
# H/HZ2 W7
581 7.947 10.610 0 U 0.000e+00 0.00e+00 - 0 5 23 0
# H/HE1 W7
582 7.947 4.454 0 U 7.182e+03 0.00e+00 - 0 5 29 0
# H/HA W7
583 7.947 7.366 0 U 4.809e+03 0.00e+00 - 0 5 145 0
# H/HD1 W7
584 7.947 7.947 0 U 2.511e+05 0.00e+00 - 0 5 5 0
# H/H W7
;
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 . . 8169.935 Hz . . . 4.7 . . 34406 1
2 . . H 1 H . . 8169.935 Hz . . . 4.7 . . 34406 1
stop_
save_