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 34705
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY'
_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 8.442 8.442 0 U 0.000e+00 0.00e+00 - 0 5 5 0
# H/H N10
2 8.442 2.982 0 U 0.000e+00 0.00e+00 - 0 5 22 0
# H/HB3 N10
3 8.442 2.785 0 U 0.000e+00 0.00e+00 - 0 5 21 0
# H/HB2 N10
4 8.442 4.496 0 U 0.000e+00 0.00e+00 - 0 5 6 0
# H/HA N10
5 2.982 8.442 0 U 0.000e+00 0.00e+00 - 0 22 5 0
# HB3/H N10
6 2.982 2.982 0 U 0.000e+00 0.00e+00 - 0 22 22 0
# HB3/HB3 N10
7 2.982 2.785 0 U 0.000e+00 0.00e+00 - 0 22 21 0
# HB3/HB2 N10
8 2.982 4.496 0 U 0.000e+00 0.00e+00 - 0 22 6 0
# HB3/HA N10
9 1.041 1.041 0 U 0.000e+00 0.00e+00 - 0 75 75 0
# HG2/HG2 I8
10 1.041 1.335 0 U 0.000e+00 0.00e+00 - 0 75 37 0
# HG2/HG13 I8
11 1.041 1.022 0 U 0.000e+00 0.00e+00 - 0 75 56 0
# HG2/HD1 I8
12 1.041 3.926 0 U 0.000e+00 0.00e+00 - 0 75 20 0
# HG2/HA I8
13 1.041 1.962 0 U 0.000e+00 0.00e+00 - 0 75 36 0
# HG2/HG12 I8
14 1.041 7.896 0 U 0.000e+00 0.00e+00 - 0 75 19 0
# HG2/H I8
15 1.041 2.069 0 U 0.000e+00 0.00e+00 - 0 75 35 0
# HG2/HB I8
16 3.158 3.158 0 U 0.000e+00 0.00e+00 - 0 46 46 0
# HD/HD R3
17 3.158 4.182 0 U 0.000e+00 0.00e+00 - 0 46 4 0
# HD/HA R3
18 3.158 1.898 0 U 0.000e+00 0.00e+00 - 0 46 49 0
# HD/HB R3
19 3.158 8.810 0 U 0.000e+00 0.00e+00 - 0 46 3 0
# HD/H R3
20 3.158 1.630 0 U 0.000e+00 0.00e+00 - 0 46 48 0
# HD/HG2 R3
21 3.158 7.507 0 U 0.000e+00 0.00e+00 - 0 46 102 0
# HD/HE R3
22 3.158 1.517 0 U 0.000e+00 0.00e+00 - 0 46 47 0
# HD/HG3 R3
23 6.559 6.559 0 U 0.000e+00 0.00e+00 - 0 112 112 0
# HE/HE Y11
24 6.559 6.593 0 U 0.000e+00 0.00e+00 - 0 112 113 0
# HE/HD Y11
25 3.263 3.263 0 U 0.000e+00 0.00e+00 - 0 80 80 0
# HB3/HB3 W4
26 3.263 4.392 0 U 0.000e+00 0.00e+00 - 0 80 8 0
# HB3/HA W4
27 3.263 8.270 0 U 0.000e+00 0.00e+00 - 0 80 7 0
# HB3/H W4
28 3.263 3.399 0 U 0.000e+00 0.00e+00 - 0 80 42 0
# HB3/HB2 W4
29 8.239 8.239 0 U 0.000e+00 0.00e+00 - 0 9 9 0
# H/H F9
30 8.239 3.265 0 U 0.000e+00 0.00e+00 - 0 9 23 0
# H/HB F9
31 8.239 4.423 0 U 0.000e+00 0.00e+00 - 0 9 10 0
# H/HA F9
32 3.319 3.319 0 U 0.000e+00 0.00e+00 - 0 27 27 0
# HB2/HB2 F12
33 3.319 4.339 0 U 0.000e+00 0.00e+00 - 0 27 12 0
# HB2/HA F12
34 3.319 7.766 0 U 0.000e+00 0.00e+00 - 0 27 11 0
# HB2/H F12
35 3.319 2.911 0 U 0.000e+00 0.00e+00 - 0 27 28 0
# HB2/HB3 F12
36 1.062 1.062 0 U 0.000e+00 0.00e+00 - 0 52 52 0
# HG2/HG2 R5
37 1.062 1.394 0 U 0.000e+00 0.00e+00 - 0 52 60 0
# HG2/HB3 R5
38 1.062 3.693 0 U 0.000e+00 0.00e+00 - 0 52 45 0
# HG2/HA R5
39 1.062 3.018 0 U 0.000e+00 0.00e+00 - 0 52 104 0
# HG2/HD3 R5
40 1.062 7.603 0 U 0.000e+00 0.00e+00 - 0 52 44 0
# HG2/H R5
41 1.062 7.479 0 U 0.000e+00 0.00e+00 - 0 52 103 0
# HG2/HE R5
42 1.062 1.628 0 U 0.000e+00 0.00e+00 - 0 52 55 0
# HG2/HB2 R5
43 1.062 3.054 0 U 0.000e+00 0.00e+00 - 0 52 88 0
# HG2/HD2 R5
44 1.062 1.088 0 U 0.000e+00 0.00e+00 - 0 52 87 0
# HG2/HG3 R5
45 4.182 4.182 0 U 0.000e+00 0.00e+00 - 0 16 16 0
# HA/HA Y11
46 4.182 2.953 0 U 0.000e+00 0.00e+00 - 0 16 26 0
# HA/HB3 Y11
47 4.182 7.881 0 U 0.000e+00 0.00e+00 - 0 16 15 0
# HA/H Y11
48 4.182 2.766 0 U 0.000e+00 0.00e+00 - 0 16 24 0
# HA/HB2 Y11
49 1.659 1.659 0 U 0.000e+00 0.00e+00 - 0 68 68 0
# HB3/HB3 L7
50 1.659 4.173 0 U 0.000e+00 0.00e+00 - 0 68 14 0
# HB3/HA L7
51 1.659 1.843 0 U 0.000e+00 0.00e+00 - 0 68 74 0
# HB3/HG L7
52 1.659 1.994 0 U 0.000e+00 0.00e+00 - 0 68 65 0
# HB3/HB2 L7
53 1.659 7.901 0 U 0.000e+00 0.00e+00 - 0 68 13 0
# HB3/H L7
54 1.659 0.940 0 U 0.000e+00 0.00e+00 - 0 68 73 0
# HB3/HD2 L7
55 1.659 0.969 0 U 0.000e+00 0.00e+00 - 0 68 64 0
# HB3/HD1 L7
56 7.144 7.144 0 U 0.000e+00 0.00e+00 - 0 85 85 0
# HH2/HH2 W4
57 7.144 7.579 0 U 0.000e+00 0.00e+00 - 0 85 84 0
# HH2/HZ2 W4
58 7.144 7.402 0 U 0.000e+00 0.00e+00 - 0 85 82 0
# HH2/HE3 W4
59 7.144 6.950 0 U 0.000e+00 0.00e+00 - 0 85 86 0
# HH2/HZ3 W4
60 7.355 7.355 0 U 0.000e+00 0.00e+00 - 0 105 105 0
# HD/HD F9
61 7.355 7.310 0 U 0.000e+00 0.00e+00 - 0 105 106 0
# HD/HE F9
62 4.173 1.659 0 U 0.000e+00 0.00e+00 - 0 14 68 0
# HA/HB3 L7
63 4.173 4.173 0 U 0.000e+00 0.00e+00 - 0 14 14 0
# HA/HA L7
64 4.173 1.843 0 U 0.000e+00 0.00e+00 - 0 14 74 0
# HA/HG L7
65 4.173 1.994 0 U 0.000e+00 0.00e+00 - 0 14 65 0
# HA/HB2 L7
66 4.173 7.901 0 U 0.000e+00 0.00e+00 - 0 14 13 0
# HA/H L7
67 4.173 0.940 0 U 0.000e+00 0.00e+00 - 0 14 73 0
# HA/HD2 L7
68 4.173 0.969 0 U 0.000e+00 0.00e+00 - 0 14 64 0
# HA/HD1 L7
69 1.642 1.642 0 U 0.000e+00 0.00e+00 - 0 40 40 0
# HB3/HB3 K2
70 1.642 1.505 0 U 0.000e+00 0.00e+00 - 0 40 93 0
# HB3/HD3 K2
71 1.642 4.373 0 U 0.000e+00 0.00e+00 - 0 40 2 0
# HB3/HA K2
72 1.642 2.995 0 U 0.000e+00 0.00e+00 - 0 40 92 0
# HB3/HE K2
73 1.642 8.999 0 U 0.000e+00 0.00e+00 - 0 40 1 0
# HB3/H K2
74 1.642 1.464 0 U 0.000e+00 0.00e+00 - 0 40 90 0
# HB3/HG2 K2
75 1.642 1.413 0 U 0.000e+00 0.00e+00 - 0 40 89 0
# HB3/HG3 K2
76 1.642 1.730 0 U 0.000e+00 0.00e+00 - 0 40 41 0
# HB3/HB2 K2
77 1.642 1.557 0 U 0.000e+00 0.00e+00 - 0 40 165 0
# HB3/HD2 K2
78 1.394 1.062 0 U 0.000e+00 0.00e+00 - 0 60 52 0
# HB3/HG2 R5
79 1.394 1.394 0 U 0.000e+00 0.00e+00 - 0 60 60 0
# HB3/HB3 R5
80 1.394 3.693 0 U 0.000e+00 0.00e+00 - 0 60 45 0
# HB3/HA R5
81 1.394 3.018 0 U 0.000e+00 0.00e+00 - 0 60 104 0
# HB3/HD3 R5
82 1.394 7.603 0 U 0.000e+00 0.00e+00 - 0 60 44 0
# HB3/H R5
83 1.394 7.479 0 U 0.000e+00 0.00e+00 - 0 60 103 0
# HB3/HE R5
84 1.394 1.628 0 U 0.000e+00 0.00e+00 - 0 60 55 0
# HB3/HB2 R5
85 1.394 3.054 0 U 0.000e+00 0.00e+00 - 0 60 88 0
# HB3/HD2 R5
86 1.394 1.088 0 U 0.000e+00 0.00e+00 - 0 60 87 0
# HB3/HG3 R5
87 2.785 8.442 0 U 0.000e+00 0.00e+00 - 0 21 5 0
# HB2/H N10
88 2.785 2.982 0 U 0.000e+00 0.00e+00 - 0 21 22 0
# HB2/HB3 N10
89 2.785 2.785 0 U 0.000e+00 0.00e+00 - 0 21 21 0
# HB2/HB2 N10
90 2.785 4.496 0 U 0.000e+00 0.00e+00 - 0 21 6 0
# HB2/HA N10
91 1.843 1.659 0 U 0.000e+00 0.00e+00 - 0 74 68 0
# HG/HB3 L7
92 1.843 4.173 0 U 0.000e+00 0.00e+00 - 0 74 14 0
# HG/HA L7
93 1.843 1.843 0 U 0.000e+00 0.00e+00 - 0 74 74 0
# HG/HG L7
94 1.843 1.994 0 U 0.000e+00 0.00e+00 - 0 74 65 0
# HG/HB2 L7
95 1.843 7.901 0 U 0.000e+00 0.00e+00 - 0 74 13 0
# HG/H L7
96 1.843 0.940 0 U 0.000e+00 0.00e+00 - 0 74 73 0
# HG/HD2 L7
97 1.843 0.969 0 U 0.000e+00 0.00e+00 - 0 74 64 0
# HG/HD1 L7
98 3.693 1.062 0 U 0.000e+00 0.00e+00 - 0 45 52 0
# HA/HG2 R5
99 3.693 1.394 0 U 0.000e+00 0.00e+00 - 0 45 60 0
# HA/HB3 R5
100 3.693 3.693 0 U 0.000e+00 0.00e+00 - 0 45 45 0
# HA/HA R5
101 3.693 3.018 0 U 0.000e+00 0.00e+00 - 0 45 104 0
# HA/HD3 R5
102 3.693 7.603 0 U 0.000e+00 0.00e+00 - 0 45 44 0
# HA/H R5
103 3.693 7.479 0 U 0.000e+00 0.00e+00 - 0 45 103 0
# HA/HE R5
104 3.693 1.628 0 U 0.000e+00 0.00e+00 - 0 45 55 0
# HA/HB2 R5
105 3.693 3.054 0 U 0.000e+00 0.00e+00 - 0 45 88 0
# HA/HD2 R5
106 3.693 1.088 0 U 0.000e+00 0.00e+00 - 0 45 87 0
# HA/HG3 R5
107 1.994 1.659 0 U 0.000e+00 0.00e+00 - 0 65 68 0
# HB2/HB3 L7
108 1.994 4.173 0 U 0.000e+00 0.00e+00 - 0 65 14 0
# HB2/HA L7
109 1.994 1.843 0 U 0.000e+00 0.00e+00 - 0 65 74 0
# HB2/HG L7
110 1.994 1.994 0 U 0.000e+00 0.00e+00 - 0 65 65 0
# HB2/HB2 L7
111 1.994 7.901 0 U 0.000e+00 0.00e+00 - 0 65 13 0
# HB2/H L7
112 1.994 0.940 0 U 0.000e+00 0.00e+00 - 0 65 73 0
# HB2/HD2 L7
113 1.994 0.969 0 U 0.000e+00 0.00e+00 - 0 65 64 0
# HB2/HD1 L7
114 4.392 3.263 0 U 0.000e+00 0.00e+00 - 0 8 80 0
# HA/HB3 W4
115 4.392 4.392 0 U 0.000e+00 0.00e+00 - 0 8 8 0
# HA/HA W4
116 4.392 8.270 0 U 0.000e+00 0.00e+00 - 0 8 7 0
# HA/H W4
117 4.392 3.399 0 U 0.000e+00 0.00e+00 - 0 8 42 0
# HA/HB2 W4
118 2.953 4.182 0 U 0.000e+00 0.00e+00 - 0 26 16 0
# HB3/HA Y11
119 2.953 2.953 0 U 0.000e+00 0.00e+00 - 0 26 26 0
# HB3/HB3 Y11
120 2.953 7.881 0 U 0.000e+00 0.00e+00 - 0 26 15 0
# HB3/H Y11
121 2.953 2.766 0 U 0.000e+00 0.00e+00 - 0 26 24 0
# HB3/HB2 Y11
122 3.242 3.242 0 U 0.000e+00 0.00e+00 - 0 51 51 0
# HD/HD R6
123 3.242 1.882 0 U 0.000e+00 0.00e+00 - 0 51 63 0
# HD/HB3 R6
124 3.242 4.084 0 U 0.000e+00 0.00e+00 - 0 51 18 0
# HD/HA R6
125 3.242 1.946 0 U 0.000e+00 0.00e+00 - 0 51 62 0
# HD/HB2 R6
126 3.242 7.473 0 U 0.000e+00 0.00e+00 - 0 51 101 0
# HD/HE R6
127 3.242 7.535 0 U 0.000e+00 0.00e+00 - 0 51 17 0
# HD/H R6
128 3.242 1.689 0 U 0.000e+00 0.00e+00 - 0 51 61 0
# HD/HG R6
129 7.881 4.182 0 U 0.000e+00 0.00e+00 - 0 15 16 0
# H/HA Y11
130 7.881 2.953 0 U 0.000e+00 0.00e+00 - 0 15 26 0
# H/HB3 Y11
131 7.881 7.881 0 U 0.000e+00 0.00e+00 - 0 15 15 0
# H/H Y11
132 7.881 2.766 0 U 0.000e+00 0.00e+00 - 0 15 24 0
# H/HB2 Y11
133 7.579 7.144 0 U 0.000e+00 0.00e+00 - 0 84 85 0
# HZ2/HH2 W4
134 7.579 7.579 0 U 0.000e+00 0.00e+00 - 0 84 84 0
# HZ2/HZ2 W4
135 7.579 7.402 0 U 0.000e+00 0.00e+00 - 0 84 82 0
# HZ2/HE3 W4
136 7.579 6.950 0 U 0.000e+00 0.00e+00 - 0 84 86 0
# HZ2/HZ3 W4
137 3.018 1.062 0 U 0.000e+00 0.00e+00 - 0 104 52 0
# HD3/HG2 R5
138 3.018 1.394 0 U 0.000e+00 0.00e+00 - 0 104 60 0
# HD3/HB3 R5
139 3.018 3.693 0 U 0.000e+00 0.00e+00 - 0 104 45 0
# HD3/HA R5
140 3.018 3.018 0 U 0.000e+00 0.00e+00 - 0 104 104 0
# HD3/HD3 R5
141 3.018 7.603 0 U 0.000e+00 0.00e+00 - 0 104 44 0
# HD3/H R5
142 3.018 7.479 0 U 0.000e+00 0.00e+00 - 0 104 103 0
# HD3/HE R5
143 3.018 1.628 0 U 0.000e+00 0.00e+00 - 0 104 55 0
# HD3/HB2 R5
144 3.018 3.054 0 U 0.000e+00 0.00e+00 - 0 104 88 0
# HD3/HD2 R5
145 3.018 1.088 0 U 0.000e+00 0.00e+00 - 0 104 87 0
# HD3/HG3 R5
146 7.901 1.659 0 U 0.000e+00 0.00e+00 - 0 13 68 0
# H/HB3 L7
147 7.901 4.173 0 U 0.000e+00 0.00e+00 - 0 13 14 0
# H/HA L7
148 7.901 1.843 0 U 0.000e+00 0.00e+00 - 0 13 74 0
# H/HG L7
149 7.901 1.994 0 U 0.000e+00 0.00e+00 - 0 13 65 0
# H/HB2 L7
150 7.901 7.901 0 U 0.000e+00 0.00e+00 - 0 13 13 0
# H/H L7
151 7.901 0.940 0 U 0.000e+00 0.00e+00 - 0 13 73 0
# H/HD2 L7
152 7.901 0.969 0 U 0.000e+00 0.00e+00 - 0 13 64 0
# H/HD1 L7
153 1.335 1.041 0 U 0.000e+00 0.00e+00 - 0 37 75 0
# HG13/HG2 I8
154 1.335 1.335 0 U 0.000e+00 0.00e+00 - 0 37 37 0
# HG13/HG13 I8
155 1.335 1.022 0 U 0.000e+00 0.00e+00 - 0 37 56 0
# HG13/HD1 I8
156 1.335 3.926 0 U 0.000e+00 0.00e+00 - 0 37 20 0
# HG13/HA I8
157 1.335 1.962 0 U 0.000e+00 0.00e+00 - 0 37 36 0
# HG13/HG12 I8
158 1.335 7.896 0 U 0.000e+00 0.00e+00 - 0 37 19 0
# HG13/H I8
159 1.335 2.069 0 U 0.000e+00 0.00e+00 - 0 37 35 0
# HG13/HB I8
160 1.022 1.041 0 U 0.000e+00 0.00e+00 - 0 56 75 0
# HD1/HG2 I8
161 1.022 1.335 0 U 0.000e+00 0.00e+00 - 0 56 37 0
# HD1/HG13 I8
162 1.022 1.022 0 U 0.000e+00 0.00e+00 - 0 56 56 0
# HD1/HD1 I8
163 1.022 3.926 0 U 0.000e+00 0.00e+00 - 0 56 20 0
# HD1/HA I8
164 1.022 1.962 0 U 0.000e+00 0.00e+00 - 0 56 36 0
# HD1/HG12 I8
165 1.022 7.896 0 U 0.000e+00 0.00e+00 - 0 56 19 0
# HD1/H I8
166 1.022 2.069 0 U 0.000e+00 0.00e+00 - 0 56 35 0
# HD1/HB I8
167 4.182 3.158 0 U 0.000e+00 0.00e+00 - 0 4 46 0
# HA/HD R3
168 4.182 4.182 0 U 0.000e+00 0.00e+00 - 0 4 4 0
# HA/HA R3
169 4.182 1.898 0 U 0.000e+00 0.00e+00 - 0 4 49 0
# HA/HB R3
170 4.182 8.810 0 U 0.000e+00 0.00e+00 - 0 4 3 0
# HA/H R3
171 4.182 1.630 0 U 0.000e+00 0.00e+00 - 0 4 48 0
# HA/HG2 R3
172 4.182 7.507 0 U 0.000e+00 0.00e+00 - 0 4 102 0
# HA/HE R3
173 4.182 1.517 0 U 0.000e+00 0.00e+00 - 0 4 47 0
# HA/HG3 R3
174 3.926 1.041 0 U 0.000e+00 0.00e+00 - 0 20 75 0
# HA/HG2 I8
175 3.926 1.335 0 U 0.000e+00 0.00e+00 - 0 20 37 0
# HA/HG13 I8
176 3.926 1.022 0 U 0.000e+00 0.00e+00 - 0 20 56 0
# HA/HD1 I8
177 3.926 3.926 0 U 0.000e+00 0.00e+00 - 0 20 20 0
# HA/HA I8
178 3.926 1.962 0 U 0.000e+00 0.00e+00 - 0 20 36 0
# HA/HG12 I8
179 3.926 7.896 0 U 0.000e+00 0.00e+00 - 0 20 19 0
# HA/H I8
180 3.926 2.069 0 U 0.000e+00 0.00e+00 - 0 20 35 0
# HA/HB I8
181 0.940 1.659 0 U 0.000e+00 0.00e+00 - 0 73 68 0
# HD2/HB3 L7
182 0.940 4.173 0 U 0.000e+00 0.00e+00 - 0 73 14 0
# HD2/HA L7
183 0.940 1.843 0 U 0.000e+00 0.00e+00 - 0 73 74 0
# HD2/HG L7
184 0.940 1.994 0 U 0.000e+00 0.00e+00 - 0 73 65 0
# HD2/HB2 L7
185 0.940 7.901 0 U 0.000e+00 0.00e+00 - 0 73 13 0
# HD2/H L7
186 0.940 0.940 0 U 0.000e+00 0.00e+00 - 0 73 73 0
# HD2/HD2 L7
187 0.940 0.969 0 U 0.000e+00 0.00e+00 - 0 73 64 0
# HD2/HD1 L7
188 1.505 1.642 0 U 0.000e+00 0.00e+00 - 0 93 40 0
# HD3/HB3 K2
189 1.505 1.505 0 U 0.000e+00 0.00e+00 - 0 93 93 0
# HD3/HD3 K2
190 1.505 4.373 0 U 0.000e+00 0.00e+00 - 0 93 2 0
# HD3/HA K2
191 1.505 2.995 0 U 0.000e+00 0.00e+00 - 0 93 92 0
# HD3/HE K2
192 1.505 8.999 0 U 0.000e+00 0.00e+00 - 0 93 1 0
# HD3/H K2
193 1.505 1.464 0 U 0.000e+00 0.00e+00 - 0 93 90 0
# HD3/HG2 K2
194 1.505 1.413 0 U 0.000e+00 0.00e+00 - 0 93 89 0
# HD3/HG3 K2
195 1.505 1.730 0 U 0.000e+00 0.00e+00 - 0 93 41 0
# HD3/HB2 K2
196 1.505 1.557 0 U 0.000e+00 0.00e+00 - 0 93 165 0
# HD3/HD2 K2
197 7.603 1.062 0 U 0.000e+00 0.00e+00 - 0 44 52 0
# H/HG2 R5
198 7.603 1.394 0 U 0.000e+00 0.00e+00 - 0 44 60 0
# H/HB3 R5
199 7.603 3.693 0 U 0.000e+00 0.00e+00 - 0 44 45 0
# H/HA R5
200 7.603 3.018 0 U 0.000e+00 0.00e+00 - 0 44 104 0
# H/HD3 R5
201 7.603 7.603 0 U 0.000e+00 0.00e+00 - 0 44 44 0
# H/H R5
202 7.603 7.479 0 U 0.000e+00 0.00e+00 - 0 44 103 0
# H/HE R5
203 7.603 1.628 0 U 0.000e+00 0.00e+00 - 0 44 55 0
# H/HB2 R5
204 7.603 3.054 0 U 0.000e+00 0.00e+00 - 0 44 88 0
# H/HD2 R5
205 7.603 1.088 0 U 0.000e+00 0.00e+00 - 0 44 87 0
# H/HG3 R5
206 0.969 1.659 0 U 0.000e+00 0.00e+00 - 0 64 68 0
# HD1/HB3 L7
207 0.969 4.173 0 U 0.000e+00 0.00e+00 - 0 64 14 0
# HD1/HA L7
208 0.969 1.843 0 U 0.000e+00 0.00e+00 - 0 64 74 0
# HD1/HG L7
209 0.969 1.994 0 U 0.000e+00 0.00e+00 - 0 64 65 0
# HD1/HB2 L7
210 0.969 7.901 0 U 0.000e+00 0.00e+00 - 0 64 13 0
# HD1/H L7
211 0.969 0.940 0 U 0.000e+00 0.00e+00 - 0 64 73 0
# HD1/HD2 L7
212 0.969 0.969 0 U 0.000e+00 0.00e+00 - 0 64 64 0
# HD1/HD1 L7
213 7.086 7.086 0 U 0.000e+00 0.00e+00 - 0 126 126 0
# H2/H2 X13
214 7.086 7.253 0 U 0.000e+00 0.00e+00 - 0 126 125 0
# H2/H1 X13
215 7.186 7.186 0 U 0.000e+00 0.00e+00 - 0 78 78 0
# HZ/HZ F12
216 7.186 7.313 0 U 0.000e+00 0.00e+00 - 0 78 77 0
# HZ/HE F12
217 7.186 7.525 0 U 0.000e+00 0.00e+00 - 0 78 76 0
# HZ/HD F12
218 8.270 3.263 0 U 0.000e+00 0.00e+00 - 0 7 80 0
# H/HB3 W4
219 8.270 4.392 0 U 0.000e+00 0.00e+00 - 0 7 8 0
# H/HA W4
220 8.270 8.270 0 U 0.000e+00 0.00e+00 - 0 7 7 0
# H/H W4
221 8.270 3.399 0 U 0.000e+00 0.00e+00 - 0 7 42 0
# H/HB2 W4
222 2.766 4.182 0 U 0.000e+00 0.00e+00 - 0 24 16 0
# HB2/HA Y11
223 2.766 2.953 0 U 0.000e+00 0.00e+00 - 0 24 26 0
# HB2/HB3 Y11
224 2.766 7.881 0 U 0.000e+00 0.00e+00 - 0 24 15 0
# HB2/H Y11
225 2.766 2.766 0 U 0.000e+00 0.00e+00 - 0 24 24 0
# HB2/HB2 Y11
226 1.898 3.158 0 U 0.000e+00 0.00e+00 - 0 49 46 0
# HB/HD R3
227 1.898 4.182 0 U 0.000e+00 0.00e+00 - 0 49 4 0
# HB/HA R3
228 1.898 1.898 0 U 0.000e+00 0.00e+00 - 0 49 49 0
# HB/HB R3
229 1.898 8.810 0 U 0.000e+00 0.00e+00 - 0 49 3 0
# HB/H R3
230 1.898 1.630 0 U 0.000e+00 0.00e+00 - 0 49 48 0
# HB/HG2 R3
231 1.898 7.507 0 U 0.000e+00 0.00e+00 - 0 49 102 0
# HB/HE R3
232 1.898 1.517 0 U 0.000e+00 0.00e+00 - 0 49 47 0
# HB/HG3 R3
233 4.373 1.642 0 U 0.000e+00 0.00e+00 - 0 2 40 0
# HA/HB3 K2
234 4.373 1.505 0 U 0.000e+00 0.00e+00 - 0 2 93 0
# HA/HD3 K2
235 4.373 4.373 0 U 0.000e+00 0.00e+00 - 0 2 2 0
# HA/HA K2
236 4.373 2.995 0 U 0.000e+00 0.00e+00 - 0 2 92 0
# HA/HE K2
237 4.373 8.999 0 U 0.000e+00 0.00e+00 - 0 2 1 0
# HA/H K2
238 4.373 1.464 0 U 0.000e+00 0.00e+00 - 0 2 90 0
# HA/HG2 K2
239 4.373 1.413 0 U 0.000e+00 0.00e+00 - 0 2 89 0
# HA/HG3 K2
240 4.373 1.730 0 U 0.000e+00 0.00e+00 - 0 2 41 0
# HA/HB2 K2
241 4.373 1.557 0 U 0.000e+00 0.00e+00 - 0 2 165 0
# HA/HD2 K2
242 10.844 10.844 0 U 0.000e+00 0.00e+00 - 0 83 83 0
# HE1/HE1 W4
243 10.844 7.440 0 U 0.000e+00 0.00e+00 - 0 83 81 0
# HE1/HD1 W4
244 7.479 1.062 0 U 0.000e+00 0.00e+00 - 0 103 52 0
# HE/HG2 R5
245 7.479 1.394 0 U 0.000e+00 0.00e+00 - 0 103 60 0
# HE/HB3 R5
246 7.479 3.693 0 U 0.000e+00 0.00e+00 - 0 103 45 0
# HE/HA R5
247 7.479 3.018 0 U 0.000e+00 0.00e+00 - 0 103 104 0
# HE/HD3 R5
248 7.479 7.603 0 U 0.000e+00 0.00e+00 - 0 103 44 0
# HE/H R5
249 7.479 7.479 0 U 0.000e+00 0.00e+00 - 0 103 103 0
# HE/HE R5
250 7.479 1.628 0 U 0.000e+00 0.00e+00 - 0 103 55 0
# HE/HB2 R5
251 7.479 3.054 0 U 0.000e+00 0.00e+00 - 0 103 88 0
# HE/HD2 R5
252 7.479 1.088 0 U 0.000e+00 0.00e+00 - 0 103 87 0
# HE/HG3 R5
253 4.339 3.319 0 U 0.000e+00 0.00e+00 - 0 12 27 0
# HA/HB2 F12
254 4.339 4.339 0 U 0.000e+00 0.00e+00 - 0 12 12 0
# HA/HA F12
255 4.339 7.766 0 U 0.000e+00 0.00e+00 - 0 12 11 0
# HA/H F12
256 4.339 2.911 0 U 0.000e+00 0.00e+00 - 0 12 28 0
# HA/HB3 F12
257 1.962 1.041 0 U 0.000e+00 0.00e+00 - 0 36 75 0
# HG12/HG2 I8
258 1.962 1.335 0 U 0.000e+00 0.00e+00 - 0 36 37 0
# HG12/HG13 I8
259 1.962 1.022 0 U 0.000e+00 0.00e+00 - 0 36 56 0
# HG12/HD1 I8
260 1.962 3.926 0 U 0.000e+00 0.00e+00 - 0 36 20 0
# HG12/HA I8
261 1.962 1.962 0 U 0.000e+00 0.00e+00 - 0 36 36 0
# HG12/HG12 I8
262 1.962 7.896 0 U 0.000e+00 0.00e+00 - 0 36 19 0
# HG12/H I8
263 1.962 2.069 0 U 0.000e+00 0.00e+00 - 0 36 35 0
# HG12/HB I8
264 1.628 1.062 0 U 0.000e+00 0.00e+00 - 0 55 52 0
# HB2/HG2 R5
265 1.628 1.394 0 U 0.000e+00 0.00e+00 - 0 55 60 0
# HB2/HB3 R5
266 1.628 3.693 0 U 0.000e+00 0.00e+00 - 0 55 45 0
# HB2/HA R5
267 1.628 3.018 0 U 0.000e+00 0.00e+00 - 0 55 104 0
# HB2/HD3 R5
268 1.628 7.603 0 U 0.000e+00 0.00e+00 - 0 55 44 0
# HB2/H R5
269 1.628 7.479 0 U 0.000e+00 0.00e+00 - 0 55 103 0
# HB2/HE R5
270 1.628 1.628 0 U 0.000e+00 0.00e+00 - 0 55 55 0
# HB2/HB2 R5
271 1.628 3.054 0 U 0.000e+00 0.00e+00 - 0 55 88 0
# HB2/HD2 R5
272 1.628 1.088 0 U 0.000e+00 0.00e+00 - 0 55 87 0
# HB2/HG3 R5
273 8.810 3.158 0 U 0.000e+00 0.00e+00 - 0 3 46 0
# H/HD R3
274 8.810 4.182 0 U 0.000e+00 0.00e+00 - 0 3 4 0
# H/HA R3
275 8.810 1.898 0 U 0.000e+00 0.00e+00 - 0 3 49 0
# H/HB R3
276 8.810 8.810 0 U 0.000e+00 0.00e+00 - 0 3 3 0
# H/H R3
277 8.810 1.630 0 U 0.000e+00 0.00e+00 - 0 3 48 0
# H/HG2 R3
278 8.810 7.507 0 U 0.000e+00 0.00e+00 - 0 3 102 0
# H/HE R3
279 8.810 1.517 0 U 0.000e+00 0.00e+00 - 0 3 47 0
# H/HG3 R3
280 7.896 1.041 0 U 0.000e+00 0.00e+00 - 0 19 75 0
# H/HG2 I8
281 7.896 1.335 0 U 0.000e+00 0.00e+00 - 0 19 37 0
# H/HG13 I8
282 7.896 1.022 0 U 0.000e+00 0.00e+00 - 0 19 56 0
# H/HD1 I8
283 7.896 3.926 0 U 0.000e+00 0.00e+00 - 0 19 20 0
# H/HA I8
284 7.896 1.962 0 U 0.000e+00 0.00e+00 - 0 19 36 0
# H/HG12 I8
285 7.896 7.896 0 U 0.000e+00 0.00e+00 - 0 19 19 0
# H/H I8
286 7.896 2.069 0 U 0.000e+00 0.00e+00 - 0 19 35 0
# H/HB I8
287 2.269 2.269 0 U 0.000e+00 0.00e+00 - 0 72 72 0
# HG/HG E1
288 2.269 2.075 0 U 0.000e+00 0.00e+00 - 0 72 71 0
# HG/HB E1
289 2.269 4.073 0 U 0.000e+00 0.00e+00 - 0 72 69 0
# HG/HA E1
290 2.995 1.642 0 U 0.000e+00 0.00e+00 - 0 92 40 0
# HE/HB3 K2
291 2.995 1.505 0 U 0.000e+00 0.00e+00 - 0 92 93 0
# HE/HD3 K2
292 2.995 4.373 0 U 0.000e+00 0.00e+00 - 0 92 2 0
# HE/HA K2
293 2.995 2.995 0 U 0.000e+00 0.00e+00 - 0 92 92 0
# HE/HE K2
294 2.995 8.999 0 U 0.000e+00 0.00e+00 - 0 92 1 0
# HE/H K2
295 2.995 1.464 0 U 0.000e+00 0.00e+00 - 0 92 90 0
# HE/HG2 K2
296 2.995 1.413 0 U 0.000e+00 0.00e+00 - 0 92 89 0
# HE/HG3 K2
297 2.995 1.730 0 U 0.000e+00 0.00e+00 - 0 92 41 0
# HE/HB2 K2
298 2.995 1.557 0 U 0.000e+00 0.00e+00 - 0 92 165 0
# HE/HD2 K2
299 3.054 1.062 0 U 0.000e+00 0.00e+00 - 0 88 52 0
# HD2/HG2 R5
300 3.054 1.394 0 U 0.000e+00 0.00e+00 - 0 88 60 0
# HD2/HB3 R5
301 3.054 3.693 0 U 0.000e+00 0.00e+00 - 0 88 45 0
# HD2/HA R5
302 3.054 3.018 0 U 0.000e+00 0.00e+00 - 0 88 104 0
# HD2/HD3 R5
303 3.054 7.603 0 U 0.000e+00 0.00e+00 - 0 88 44 0
# HD2/H R5
304 3.054 7.479 0 U 0.000e+00 0.00e+00 - 0 88 103 0
# HD2/HE R5
305 3.054 1.628 0 U 0.000e+00 0.00e+00 - 0 88 55 0
# HD2/HB2 R5
306 3.054 3.054 0 U 0.000e+00 0.00e+00 - 0 88 88 0
# HD2/HD2 R5
307 3.054 1.088 0 U 0.000e+00 0.00e+00 - 0 88 87 0
# HD2/HG3 R5
308 6.882 6.882 0 U 0.000e+00 0.00e+00 - 0 108 108 0
# HD22/HD22 N10
309 6.882 7.528 0 U 0.000e+00 0.00e+00 - 0 108 107 0
# HD22/HD21 N10
310 1.882 3.242 0 U 0.000e+00 0.00e+00 - 0 63 51 0
# HB3/HD R6
311 1.882 1.882 0 U 0.000e+00 0.00e+00 - 0 63 63 0
# HB3/HB3 R6
312 1.882 4.084 0 U 0.000e+00 0.00e+00 - 0 63 18 0
# HB3/HA R6
313 1.882 1.946 0 U 0.000e+00 0.00e+00 - 0 63 62 0
# HB3/HB2 R6
314 1.882 7.473 0 U 0.000e+00 0.00e+00 - 0 63 101 0
# HB3/HE R6
315 1.882 7.535 0 U 0.000e+00 0.00e+00 - 0 63 17 0
# HB3/H R6
316 1.882 1.689 0 U 0.000e+00 0.00e+00 - 0 63 61 0
# HB3/HG R6
317 7.253 7.086 0 U 0.000e+00 0.00e+00 - 0 125 126 0
# H1/H2 X13
318 7.253 7.253 0 U 0.000e+00 0.00e+00 - 0 125 125 0
# H1/H1 X13
319 7.313 7.186 0 U 0.000e+00 0.00e+00 - 0 77 78 0
# HE/HZ F12
320 7.313 7.313 0 U 0.000e+00 0.00e+00 - 0 77 77 0
# HE/HE F12
321 7.313 7.525 0 U 0.000e+00 0.00e+00 - 0 77 76 0
# HE/HD F12
322 3.265 8.239 0 U 0.000e+00 0.00e+00 - 0 23 9 0
# HB/H F9
323 3.265 3.265 0 U 0.000e+00 0.00e+00 - 0 23 23 0
# HB/HB F9
324 3.265 4.423 0 U 0.000e+00 0.00e+00 - 0 23 10 0
# HB/HA F9
325 1.630 3.158 0 U 0.000e+00 0.00e+00 - 0 48 46 0
# HG2/HD R3
326 1.630 4.182 0 U 0.000e+00 0.00e+00 - 0 48 4 0
# HG2/HA R3
327 1.630 1.898 0 U 0.000e+00 0.00e+00 - 0 48 49 0
# HG2/HB R3
328 1.630 8.810 0 U 0.000e+00 0.00e+00 - 0 48 3 0
# HG2/H R3
329 1.630 1.630 0 U 0.000e+00 0.00e+00 - 0 48 48 0
# HG2/HG2 R3
330 1.630 7.507 0 U 0.000e+00 0.00e+00 - 0 48 102 0
# HG2/HE R3
331 1.630 1.517 0 U 0.000e+00 0.00e+00 - 0 48 47 0
# HG2/HG3 R3
332 7.402 7.144 0 U 0.000e+00 0.00e+00 - 0 82 85 0
# HE3/HH2 W4
333 7.402 7.579 0 U 0.000e+00 0.00e+00 - 0 82 84 0
# HE3/HZ2 W4
334 7.402 7.402 0 U 0.000e+00 0.00e+00 - 0 82 82 0
# HE3/HE3 W4
335 7.402 6.950 0 U 0.000e+00 0.00e+00 - 0 82 86 0
# HE3/HZ3 W4
336 7.507 3.158 0 U 0.000e+00 0.00e+00 - 0 102 46 0
# HE/HD R3
337 7.507 4.182 0 U 0.000e+00 0.00e+00 - 0 102 4 0
# HE/HA R3
338 7.507 1.898 0 U 0.000e+00 0.00e+00 - 0 102 49 0
# HE/HB R3
339 7.507 8.810 0 U 0.000e+00 0.00e+00 - 0 102 3 0
# HE/H R3
340 7.507 1.630 0 U 0.000e+00 0.00e+00 - 0 102 48 0
# HE/HG2 R3
341 7.507 7.507 0 U 0.000e+00 0.00e+00 - 0 102 102 0
# HE/HE R3
342 7.507 1.517 0 U 0.000e+00 0.00e+00 - 0 102 47 0
# HE/HG3 R3
343 7.766 3.319 0 U 0.000e+00 0.00e+00 - 0 11 27 0
# H/HB2 F12
344 7.766 4.339 0 U 0.000e+00 0.00e+00 - 0 11 12 0
# H/HA F12
345 7.766 7.766 0 U 0.000e+00 0.00e+00 - 0 11 11 0
# H/H F12
346 7.766 2.911 0 U 0.000e+00 0.00e+00 - 0 11 28 0
# H/HB3 F12
347 2.069 1.041 0 U 0.000e+00 0.00e+00 - 0 35 75 0
# HB/HG2 I8
348 2.069 1.335 0 U 0.000e+00 0.00e+00 - 0 35 37 0
# HB/HG13 I8
349 2.069 1.022 0 U 0.000e+00 0.00e+00 - 0 35 56 0
# HB/HD1 I8
350 2.069 3.926 0 U 0.000e+00 0.00e+00 - 0 35 20 0
# HB/HA I8
351 2.069 1.962 0 U 0.000e+00 0.00e+00 - 0 35 36 0
# HB/HG12 I8
352 2.069 7.896 0 U 0.000e+00 0.00e+00 - 0 35 19 0
# HB/H I8
353 2.069 2.069 0 U 0.000e+00 0.00e+00 - 0 35 35 0
# HB/HB I8
354 4.084 3.242 0 U 0.000e+00 0.00e+00 - 0 18 51 0
# HA/HD R6
355 4.084 1.882 0 U 0.000e+00 0.00e+00 - 0 18 63 0
# HA/HB3 R6
356 4.084 4.084 0 U 0.000e+00 0.00e+00 - 0 18 18 0
# HA/HA R6
357 4.084 1.946 0 U 0.000e+00 0.00e+00 - 0 18 62 0
# HA/HB2 R6
358 4.084 7.473 0 U 0.000e+00 0.00e+00 - 0 18 101 0
# HA/HE R6
359 4.084 7.535 0 U 0.000e+00 0.00e+00 - 0 18 17 0
# HA/H R6
360 4.084 1.689 0 U 0.000e+00 0.00e+00 - 0 18 61 0
# HA/HG R6
361 8.999 1.642 0 U 0.000e+00 0.00e+00 - 0 1 40 0
# H/HB3 K2
362 8.999 1.505 0 U 0.000e+00 0.00e+00 - 0 1 93 0
# H/HD3 K2
363 8.999 4.373 0 U 0.000e+00 0.00e+00 - 0 1 2 0
# H/HA K2
364 8.999 2.995 0 U 0.000e+00 0.00e+00 - 0 1 92 0
# H/HE K2
365 8.999 8.999 0 U 0.000e+00 0.00e+00 - 0 1 1 0
# H/H K2
366 8.999 1.464 0 U 0.000e+00 0.00e+00 - 0 1 90 0
# H/HG2 K2
367 8.999 1.413 0 U 0.000e+00 0.00e+00 - 0 1 89 0
# H/HG3 K2
368 8.999 1.730 0 U 0.000e+00 0.00e+00 - 0 1 41 0
# H/HB2 K2
369 8.999 1.557 0 U 0.000e+00 0.00e+00 - 0 1 165 0
# H/HD2 K2
370 2.075 2.269 0 U 0.000e+00 0.00e+00 - 0 71 72 0
# HB/HG E1
371 2.075 2.075 0 U 0.000e+00 0.00e+00 - 0 71 71 0
# HB/HB E1
372 2.075 4.073 0 U 0.000e+00 0.00e+00 - 0 71 69 0
# HB/HA E1
373 1.464 1.642 0 U 0.000e+00 0.00e+00 - 0 90 40 0
# HG2/HB3 K2
374 1.464 1.505 0 U 0.000e+00 0.00e+00 - 0 90 93 0
# HG2/HD3 K2
375 1.464 4.373 0 U 0.000e+00 0.00e+00 - 0 90 2 0
# HG2/HA K2
376 1.464 2.995 0 U 0.000e+00 0.00e+00 - 0 90 92 0
# HG2/HE K2
377 1.464 8.999 0 U 0.000e+00 0.00e+00 - 0 90 1 0
# HG2/H K2
378 1.464 1.464 0 U 0.000e+00 0.00e+00 - 0 90 90 0
# HG2/HG2 K2
379 1.464 1.413 0 U 0.000e+00 0.00e+00 - 0 90 89 0
# HG2/HG3 K2
380 1.464 1.730 0 U 0.000e+00 0.00e+00 - 0 90 41 0
# HG2/HB2 K2
381 1.464 1.557 0 U 0.000e+00 0.00e+00 - 0 90 165 0
# HG2/HD2 K2
382 1.088 1.062 0 U 0.000e+00 0.00e+00 - 0 87 52 0
# HG3/HG2 R5
383 1.088 1.394 0 U 0.000e+00 0.00e+00 - 0 87 60 0
# HG3/HB3 R5
384 1.088 3.693 0 U 0.000e+00 0.00e+00 - 0 87 45 0
# HG3/HA R5
385 1.088 3.018 0 U 0.000e+00 0.00e+00 - 0 87 104 0
# HG3/HD3 R5
386 1.088 7.603 0 U 0.000e+00 0.00e+00 - 0 87 44 0
# HG3/H R5
387 1.088 7.479 0 U 0.000e+00 0.00e+00 - 0 87 103 0
# HG3/HE R5
388 1.088 1.628 0 U 0.000e+00 0.00e+00 - 0 87 55 0
# HG3/HB2 R5
389 1.088 3.054 0 U 0.000e+00 0.00e+00 - 0 87 88 0
# HG3/HD2 R5
390 1.088 1.088 0 U 0.000e+00 0.00e+00 - 0 87 87 0
# HG3/HG3 R5
391 7.528 6.882 0 U 0.000e+00 0.00e+00 - 0 107 108 0
# HD21/HD22 N10
392 7.528 7.528 0 U 0.000e+00 0.00e+00 - 0 107 107 0
# HD21/HD21 N10
393 3.399 3.263 0 U 0.000e+00 0.00e+00 - 0 42 80 0
# HB2/HB3 W4
394 3.399 4.392 0 U 0.000e+00 0.00e+00 - 0 42 8 0
# HB2/HA W4
395 3.399 8.270 0 U 0.000e+00 0.00e+00 - 0 42 7 0
# HB2/H W4
396 3.399 3.399 0 U 0.000e+00 0.00e+00 - 0 42 42 0
# HB2/HB2 W4
397 1.946 3.242 0 U 0.000e+00 0.00e+00 - 0 62 51 0
# HB2/HD R6
398 1.946 1.882 0 U 0.000e+00 0.00e+00 - 0 62 63 0
# HB2/HB3 R6
399 1.946 4.084 0 U 0.000e+00 0.00e+00 - 0 62 18 0
# HB2/HA R6
400 1.946 1.946 0 U 0.000e+00 0.00e+00 - 0 62 62 0
# HB2/HB2 R6
401 1.946 7.473 0 U 0.000e+00 0.00e+00 - 0 62 101 0
# HB2/HE R6
402 1.946 7.535 0 U 0.000e+00 0.00e+00 - 0 62 17 0
# HB2/H R6
403 1.946 1.689 0 U 0.000e+00 0.00e+00 - 0 62 61 0
# HB2/HG R6
404 4.496 8.442 0 U 0.000e+00 0.00e+00 - 0 6 5 0
# HA/H N10
405 4.496 2.982 0 U 0.000e+00 0.00e+00 - 0 6 22 0
# HA/HB3 N10
406 4.496 2.785 0 U 0.000e+00 0.00e+00 - 0 6 21 0
# HA/HB2 N10
407 4.496 4.496 0 U 0.000e+00 0.00e+00 - 0 6 6 0
# HA/HA N10
408 7.525 7.186 0 U 0.000e+00 0.00e+00 - 0 76 78 0
# HD/HZ F12
409 7.525 7.313 0 U 0.000e+00 0.00e+00 - 0 76 77 0
# HD/HE F12
410 7.525 7.525 0 U 0.000e+00 0.00e+00 - 0 76 76 0
# HD/HD F12
411 1.517 3.158 0 U 0.000e+00 0.00e+00 - 0 47 46 0
# HG3/HD R3
412 1.517 4.182 0 U 0.000e+00 0.00e+00 - 0 47 4 0
# HG3/HA R3
413 1.517 1.898 0 U 0.000e+00 0.00e+00 - 0 47 49 0
# HG3/HB R3
414 1.517 8.810 0 U 0.000e+00 0.00e+00 - 0 47 3 0
# HG3/H R3
415 1.517 1.630 0 U 0.000e+00 0.00e+00 - 0 47 48 0
# HG3/HG2 R3
416 1.517 7.507 0 U 0.000e+00 0.00e+00 - 0 47 102 0
# HG3/HE R3
417 1.517 1.517 0 U 0.000e+00 0.00e+00 - 0 47 47 0
# HG3/HG3 R3
418 6.593 6.559 0 U 0.000e+00 0.00e+00 - 0 113 112 0
# HD/HE Y11
419 6.593 6.593 0 U 0.000e+00 0.00e+00 - 0 113 113 0
# HD/HD Y11
420 7.440 10.844 0 U 0.000e+00 0.00e+00 - 0 81 83 0
# HD1/HE1 W4
421 7.440 7.440 0 U 0.000e+00 0.00e+00 - 0 81 81 0
# HD1/HD1 W4
422 7.473 3.242 0 U 0.000e+00 0.00e+00 - 0 101 51 0
# HE/HD R6
423 7.473 1.882 0 U 0.000e+00 0.00e+00 - 0 101 63 0
# HE/HB3 R6
424 7.473 4.084 0 U 0.000e+00 0.00e+00 - 0 101 18 0
# HE/HA R6
425 7.473 1.946 0 U 0.000e+00 0.00e+00 - 0 101 62 0
# HE/HB2 R6
426 7.473 7.473 0 U 0.000e+00 0.00e+00 - 0 101 101 0
# HE/HE R6
427 7.473 7.535 0 U 0.000e+00 0.00e+00 - 0 101 17 0
# HE/H R6
428 7.473 1.689 0 U 0.000e+00 0.00e+00 - 0 101 61 0
# HE/HG R6
429 4.423 8.239 0 U 0.000e+00 0.00e+00 - 0 10 9 0
# HA/H F9
430 4.423 3.265 0 U 0.000e+00 0.00e+00 - 0 10 23 0
# HA/HB F9
431 4.423 4.423 0 U 0.000e+00 0.00e+00 - 0 10 10 0
# HA/HA F9
432 2.911 3.319 0 U 0.000e+00 0.00e+00 - 0 28 27 0
# HB3/HB2 F12
433 2.911 4.339 0 U 0.000e+00 0.00e+00 - 0 28 12 0
# HB3/HA F12
434 2.911 7.766 0 U 0.000e+00 0.00e+00 - 0 28 11 0
# HB3/H F12
435 2.911 2.911 0 U 0.000e+00 0.00e+00 - 0 28 28 0
# HB3/HB3 F12
436 7.535 3.242 0 U 0.000e+00 0.00e+00 - 0 17 51 0
# H/HD R6
437 7.535 1.882 0 U 0.000e+00 0.00e+00 - 0 17 63 0
# H/HB3 R6
438 7.535 4.084 0 U 0.000e+00 0.00e+00 - 0 17 18 0
# H/HA R6
439 7.535 1.946 0 U 0.000e+00 0.00e+00 - 0 17 62 0
# H/HB2 R6
440 7.535 7.473 0 U 0.000e+00 0.00e+00 - 0 17 101 0
# H/HE R6
441 7.535 7.535 0 U 0.000e+00 0.00e+00 - 0 17 17 0
# H/H R6
442 7.535 1.689 0 U 0.000e+00 0.00e+00 - 0 17 61 0
# H/HG R6
443 4.073 2.269 0 U 0.000e+00 0.00e+00 - 0 69 72 0
# HA/HG E1
444 4.073 2.075 0 U 0.000e+00 0.00e+00 - 0 69 71 0
# HA/HB E1
445 4.073 4.073 0 U 0.000e+00 0.00e+00 - 0 69 69 0
# HA/HA E1
446 1.413 1.642 0 U 0.000e+00 0.00e+00 - 0 89 40 0
# HG3/HB3 K2
447 1.413 1.505 0 U 0.000e+00 0.00e+00 - 0 89 93 0
# HG3/HD3 K2
448 1.413 4.373 0 U 0.000e+00 0.00e+00 - 0 89 2 0
# HG3/HA K2
449 1.413 2.995 0 U 0.000e+00 0.00e+00 - 0 89 92 0
# HG3/HE K2
450 1.413 8.999 0 U 0.000e+00 0.00e+00 - 0 89 1 0
# HG3/H K2
451 1.413 1.464 0 U 0.000e+00 0.00e+00 - 0 89 90 0
# HG3/HG2 K2
452 1.413 1.413 0 U 0.000e+00 0.00e+00 - 0 89 89 0
# HG3/HG3 K2
453 1.413 1.730 0 U 0.000e+00 0.00e+00 - 0 89 41 0
# HG3/HB2 K2
454 1.413 1.557 0 U 0.000e+00 0.00e+00 - 0 89 165 0
# HG3/HD2 K2
455 6.950 7.144 0 U 0.000e+00 0.00e+00 - 0 86 85 0
# HZ3/HH2 W4
456 6.950 7.579 0 U 0.000e+00 0.00e+00 - 0 86 84 0
# HZ3/HZ2 W4
457 6.950 7.402 0 U 0.000e+00 0.00e+00 - 0 86 82 0
# HZ3/HE3 W4
458 6.950 6.950 0 U 0.000e+00 0.00e+00 - 0 86 86 0
# HZ3/HZ3 W4
459 7.310 7.355 0 U 0.000e+00 0.00e+00 - 0 106 105 0
# HE/HD F9
460 7.310 7.310 0 U 0.000e+00 0.00e+00 - 0 106 106 0
# HE/HE F9
461 1.730 1.642 0 U 0.000e+00 0.00e+00 - 0 41 40 0
# HB2/HB3 K2
462 1.730 1.505 0 U 0.000e+00 0.00e+00 - 0 41 93 0
# HB2/HD3 K2
463 1.730 4.373 0 U 0.000e+00 0.00e+00 - 0 41 2 0
# HB2/HA K2
464 1.730 2.995 0 U 0.000e+00 0.00e+00 - 0 41 92 0
# HB2/HE K2
465 1.730 8.999 0 U 0.000e+00 0.00e+00 - 0 41 1 0
# HB2/H K2
466 1.730 1.464 0 U 0.000e+00 0.00e+00 - 0 41 90 0
# HB2/HG2 K2
467 1.730 1.413 0 U 0.000e+00 0.00e+00 - 0 41 89 0
# HB2/HG3 K2
468 1.730 1.730 0 U 0.000e+00 0.00e+00 - 0 41 41 0
# HB2/HB2 K2
469 1.730 1.557 0 U 0.000e+00 0.00e+00 - 0 41 165 0
# HB2/HD2 K2
470 1.689 3.242 0 U 0.000e+00 0.00e+00 - 0 61 51 0
# HG/HD R6
471 1.689 1.882 0 U 0.000e+00 0.00e+00 - 0 61 63 0
# HG/HB3 R6
472 1.689 4.084 0 U 0.000e+00 0.00e+00 - 0 61 18 0
# HG/HA R6
473 1.689 1.946 0 U 0.000e+00 0.00e+00 - 0 61 62 0
# HG/HB2 R6
474 1.689 7.473 0 U 0.000e+00 0.00e+00 - 0 61 101 0
# HG/HE R6
475 1.689 7.535 0 U 0.000e+00 0.00e+00 - 0 61 17 0
# HG/H R6
476 1.689 1.689 0 U 0.000e+00 0.00e+00 - 0 61 61 0
# HG/HG R6
477 1.557 1.642 0 U 0.000e+00 0.00e+00 - 0 165 40 0
# HD2/HB3 K2
478 1.557 1.505 0 U 0.000e+00 0.00e+00 - 0 165 93 0
# HD2/HD3 K2
479 1.557 4.373 0 U 0.000e+00 0.00e+00 - 0 165 2 0
# HD2/HA K2
480 1.557 2.995 0 U 0.000e+00 0.00e+00 - 0 165 92 0
# HD2/HE K2
481 1.557 8.999 0 U 0.000e+00 0.00e+00 - 0 165 1 0
# HD2/H K2
482 1.557 1.464 0 U 0.000e+00 0.00e+00 - 0 165 90 0
# HD2/HG2 K2
483 1.557 1.413 0 U 0.000e+00 0.00e+00 - 0 165 89 0
# HD2/HG3 K2
484 1.557 1.730 0 U 0.000e+00 0.00e+00 - 0 165 41 0
# HD2/HB2 K2
485 1.557 1.557 0 U 0.000e+00 0.00e+00 - 0 165 165 0
# HD2/HD2 K2
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . 'not observed' 12 ppm . . . 4.7 . . 34705 1
2 . . H 1 H . 'not observed' 10.6 ppm . . . 4.7 . . 34705 1
stop_
save_