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 31092
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 2
#INAME 1 H
#INAME 2 H
#CYANAFORMAT HH
1 2.445 3.754 1 T 3.790e+05 0.00e+00 a 0 HB3.11 HD3.11
2 3.498 1.799 1 T 3.797e+05 0.00e+00 a 0 HD2.11 HB2.11
3 3.002 4.441 1 T 4.094e+06 0.00e+00 a 0 HB2.19 HA.19
4 3.221 4.441 1 T 1.745e+06 0.00e+00 a 0 HB3.19 HA.19
5 7.192 3.219 1 T 2.891e+06 0.00e+00 a 0 QD.19 HB3.19
6 7.192 3.002 1 T 2.782e+06 0.00e+00 a 0 QD.19 HB2.19
7 7.192 4.442 1 T 3.358e+06 0.00e+00 a 0 QD.19 HA.19
8 8.047 7.184 1 T 4.528e+05 0.00e+00 a 0 H.20 QD.19
9 8.646 1.439 1 T 3.715e+05 0.00e+00 a 0 H.13 HG2.13
10 8.646 1.919 1 T 2.269e+06 0.00e+00 a 0 H.13 HB2.13
11 8.646 2.001 1 T 1.959e+06 0.00e+00 a 0 H.13 HB3.13
12 1.863 8.647 1 T 3.495e+05 0.00e+00 a 0 HD3.13 H.13
13 2.960 2.835 1 T 1.772e+07 0.00e+00 a 0 HB3.3 HB2.3
14 2.828 3.000 1 T 9.233e+06 0.00e+00 a 0 HB2.14 HB3.14
15 2.853 2.949 1 T 2.131e+07 0.00e+00 a 0 HB2.17 HB3.17
16 8.302 4.498 1 T 3.199e+06 0.00e+00 a 0 H.17 HA.17
17 8.054 4.451 1 T 3.364e+06 0.00e+00 a 0 H.10 HA.10
18 7.828 1.569 1 T 5.529e+05 0.00e+00 a 0 H.5 HG.5
19 8.409 0.922 1 T 9.207e+05 0.00e+00 a 0 H.16 QD2.16
20 8.046 1.277 1 T 1.661e+06 0.00e+00 a 0 H.2 HG12.2
21 8.046 1.585 1 T 9.982e+05 0.00e+00 a 0 H.2 HG13.2
22 8.491 1.983 1 T 1.725e+06 0.00e+00 a 0 H.3 HB.2
23 2.723 2.214 1 T 2.582e+06 0.00e+00 a 0 HG2.15 HG3.15
24 2.723 2.202 1 T 1.830e+06 0.00e+00 a 0 HG2.15 HB2.15
25 2.723 7.913 1 T 8.594e+05 0.00e+00 a 0 HG2.15 H.15
26 2.927 7.654 1 T 5.372e+05 0.00e+00 a 0 HE3.18 H.18
27 1.864 2.001 1 T 2.786e+06 0.00e+00 a 0 HD3.13 HB3.13
28 1.862 3.882 1 T 1.753e+06 0.00e+00 a 0 HD3.13 HA.13
29 3.499 3.752 1 T 3.790e+06 0.00e+00 a 0 HD2.11 HD3.11
30 2.042 3.753 1 T 1.406e+06 0.00e+00 a 0 HG2.11 HD3.11
31 2.231 3.753 1 T 1.831e+06 0.00e+00 a 0 HG3.11 HD3.11
32 2.231 3.499 1 T 1.108e+06 0.00e+00 a 0 HG3.11 HD2.11
33 2.445 3.499 1 T 5.694e+05 0.00e+00 a 0 HB3.11 HD2.11
34 1.800 2.042 1 T 1.843e+06 0.00e+00 a 0 HB2.11 HG2.11
35 1.798 2.445 1 T 5.130e+06 0.00e+00 a 0 HB2.11 HB3.11
36 2.042 2.232 1 T 6.284e+06 0.00e+00 a 0 HG2.11 HG3.11
37 2.042 2.445 1 T 1.867e+06 0.00e+00 a 0 HG2.11 HB3.11
38 2.232 1.800 1 T 1.560e+06 0.00e+00 a 0 HG3.11 HB2.11
39 2.232 2.445 1 T 1.526e+06 0.00e+00 a 0 HG3.11 HB3.11
40 3.497 2.043 1 T 1.208e+06 0.00e+00 a 0 HD2.11 HG2.11
41 6.836 7.193 1 T 2.080e+07 0.00e+00 a 0 QE.19 QD.19
42 3.002 3.220 1 T 6.403e+06 0.00e+00 a 0 HB2.19 HB3.19
43 7.820 3.219 1 T 2.171e+06 0.00e+00 a 0 H.19 HB3.19
44 7.820 3.002 1 T 2.437e+06 0.00e+00 a 0 H.19 HB2.19
45 7.820 4.442 1 T 1.925e+06 0.00e+00 a 0 H.19 HA.19
46 2.388 4.181 1 T 1.031e+06 0.00e+00 a 0 HG2.20 HA.20
47 2.498 4.181 1 T 5.280e+05 0.00e+00 a 0 HG3.20 HA.20
48 8.047 4.181 1 T 2.721e+06 0.00e+00 a 0 H.20 HA.20
49 8.047 2.388 1 T 4.292e+05 0.00e+00 a 0 H.20 HG2.20
50 8.047 2.047 1 T 2.260e+06 0.00e+00 a 0 H.20 HB2.20
51 8.047 2.143 1 T 9.634e+05 0.00e+00 a 0 H.20 HB3.20
52 2.046 4.182 1 T 1.542e+06 0.00e+00 a 0 HB2.20 HA.20
53 2.143 4.181 1 T 1.599e+06 0.00e+00 a 0 HB3.20 HA.20
54 2.388 2.498 1 T 7.113e+06 0.00e+00 a 0 HG2.20 HG3.20
55 2.143 2.388 1 T 1.846e+06 0.00e+00 a 0 HB3.20 HG2.20
56 2.143 2.498 1 T 1.454e+06 0.00e+00 a 0 HB3.20 HG3.20
57 2.046 2.388 1 T 1.570e+06 0.00e+00 a 0 HB2.20 HG2.20
58 2.046 2.498 1 T 1.491e+06 0.00e+00 a 0 HB2.20 HG3.20
59 1.439 3.882 1 T 9.791e+05 0.00e+00 a 0 HG2.13 HA.13
60 1.642 3.882 1 T 9.159e+05 0.00e+00 a 0 HG3.13 HA.13
61 1.750 3.882 1 T 1.238e+06 0.00e+00 a 0 HD2.13 HA.13
62 2.000 3.882 1 T 1.574e+06 0.00e+00 a 0 HB3.13 HA.13
63 1.440 2.986 1 T 7.687e+05 0.00e+00 a 0 HG2.13 HE2.13
64 1.642 2.986 1 T 1.844e+06 0.00e+00 a 0 HG3.13 HE3.13
65 1.749 2.986 1 T 1.191e+06 0.00e+00 a 0 HD2.13 HE2.13
66 1.864 2.986 1 T 4.864e+05 0.00e+00 a 0 HD3.13 HE3.13
67 1.919 2.986 1 T 3.260e+05 0.00e+00 a 0 HB2.13 HE3.13
68 2.000 2.986 1 T 5.934e+05 0.00e+00 a 0 HB3.13 HE2.13
69 8.646 3.881 1 T 1.523e+06 0.00e+00 a 0 H.13 HA.13
70 3.882 1.919 1 T 1.560e+06 0.00e+00 a 0 HA.13 HB2.13
71 2.001 1.919 1 T 9.876e+06 0.00e+00 a 0 HB3.13 HB2.13
72 1.918 1.750 1 T 2.007e+06 0.00e+00 a 0 HB2.13 HD2.13
73 1.749 1.642 1 T 8.276e+06 0.00e+00 a 0 HD2.13 HG3.13
74 1.749 1.863 1 T 1.319e+07 0.00e+00 a 0 HD2.13 HD3.13
75 1.749 2.000 1 T 1.669e+06 0.00e+00 a 0 HD2.13 HB3.13
76 1.641 1.863 1 T 3.148e+06 0.00e+00 a 0 HG3.13 HD3.13
77 1.641 1.919 1 T 2.392e+06 0.00e+00 a 0 HG3.13 HB2.13
78 1.641 2.000 1 T 2.096e+06 0.00e+00 a 0 HG3.13 HB3.13
79 1.439 1.642 1 T 7.266e+06 0.00e+00 a 0 HG2.13 HG3.13
80 1.439 1.750 1 T 2.194e+06 0.00e+00 a 0 HG2.13 HD2.13
81 1.439 1.863 1 T 1.569e+06 0.00e+00 a 0 HG2.13 HD3.13
82 1.439 1.919 1 T 1.136e+06 0.00e+00 a 0 HG2.13 HB2.13
83 1.439 2.000 1 T 1.139e+06 0.00e+00 a 0 HG2.13 HB3.13
84 8.491 2.835 1 T 2.506e+06 0.00e+00 a 0 H.3 HB2.3
85 8.491 2.960 1 T 2.003e+06 0.00e+00 a 0 H.3 HB3.3
86 2.999 8.470 1 T 1.658e+06 0.00e+00 a 0 HB3.14 H.14
87 8.471 2.827 1 T 1.884e+06 0.00e+00 a 0 H.14 HB2.14
88 8.303 2.853 1 T 2.259e+06 0.00e+00 a 0 H.17 HB2.17
89 8.302 2.949 1 T 3.213e+06 0.00e+00 a 0 H.17 HB3.17
90 1.315 7.526 1 T 1.439e+05 0.00e+00 a 0 HG13.8 H.8
91 1.313 4.258 1 T 1.050e+06 0.00e+00 a 0 HG13.8 HA.8
92 2.050 4.258 1 T 1.885e+06 0.00e+00 a 0 HB.8 HA.8
93 7.526 4.258 1 T 1.497e+06 0.00e+00 a 0 H.8 HA.8
94 7.526 2.049 1 T 2.120e+06 0.00e+00 a 0 H.8 HB.8
95 1.315 2.050 1 T 1.265e+06 0.00e+00 a 0 HG12.8 HB.8
96 0.940 2.050 1 T 6.012e+06 0.00e+00 a 0 QG2.8 HB.8
97 0.940 1.315 1 T 4.350e+06 0.00e+00 a 0 QG2.8 HG12.8
98 1.252 4.088 1 T 4.995e+06 0.00e+00 a 0 QG2.10 HB.10
99 1.252 4.451 1 T 5.817e+06 0.00e+00 a 0 QG2.10 HA.10
100 8.054 4.089 1 T 3.770e+06 0.00e+00 a 0 H.10 HB.10
101 1.699 4.181 1 T 1.879e+06 0.00e+00 a 0 HB2.5 HA.5
102 1.873 4.181 1 T 2.909e+06 0.00e+00 a 0 HB3.5 HA.5
103 7.828 1.699 1 T 2.704e+06 0.00e+00 a 0 H.5 HB2.5
104 7.828 1.873 1 T 2.930e+06 0.00e+00 a 0 H.5 HB3.5
105 7.828 4.181 1 T 3.029e+06 0.00e+00 a 0 H.5 HA.5
106 1.569 1.699 1 T 2.718e+06 0.00e+00 a 0 HG.5 HB2.5
107 1.569 1.873 1 T 7.585e+05 0.00e+00 a 0 HG.5 HB3.5
108 1.874 1.699 1 T 9.412e+06 0.00e+00 a 0 HB3.5 HB2.5
109 0.922 4.159 1 T 6.726e+06 0.00e+00 a 0 QD2.16 HA.16
110 1.757 4.160 1 T 2.170e+06 0.00e+00 a 0 HB2.16 HA.16
111 1.861 4.160 1 T 2.969e+06 0.00e+00 a 0 HB3.16 HA.16
112 8.409 4.160 1 T 1.685e+06 0.00e+00 a 0 H.16 HA.16
113 8.409 1.861 1 T 3.511e+06 0.00e+00 a 0 H.16 HB3.16
114 8.409 1.756 1 T 1.341e+06 0.00e+00 a 0 H.16 HB2.16
115 0.921 1.756 1 T 5.709e+06 0.00e+00 a 0 QD1.16 HB2.16
116 0.921 1.861 1 T 6.642e+06 0.00e+00 a 0 QD2.16 HB3.16
117 1.861 1.756 1 T 1.284e+07 0.00e+00 a 0 HB3.16 HB2.16
118 2.227 3.958 1 T 2.388e+06 0.00e+00 a 0 HB.4 HA.4
119 0.997 3.956 1 T 2.340e+06 0.00e+00 a 0 QG1.4 HA.4
120 1.051 3.957 1 T 3.306e+06 0.00e+00 a 0 QG2.4 HA.4
121 2.228 1.052 1 T 5.276e+06 0.00e+00 a 0 HB.4 QG2.4
122 2.228 0.996 1 T 5.982e+06 0.00e+00 a 0 HB.4 QG1.4
123 8.125 1.052 1 T 2.760e+06 0.00e+00 a 0 H.4 QG2.4
124 8.126 3.958 1 T 1.894e+06 0.00e+00 a 0 H.4 HA.4
125 2.232 3.706 1 T 2.083e+06 0.00e+00 a 0 HB.9 HA.9
126 1.019 3.706 1 T 3.232e+06 0.00e+00 a 0 QG1.9 HA.9
127 1.099 3.706 1 T 3.507e+06 0.00e+00 a 0 QG2.9 HA.9
128 7.838 3.707 1 T 1.737e+06 0.00e+00 a 0 H.9 HA.9
129 7.838 1.099 1 T 2.915e+06 0.00e+00 a 0 H.9 QG2.9
130 1.098 1.019 1 T 2.058e+07 0.00e+00 a 0 QG2.9 QG1.9
131 1.020 2.233 1 T 8.206e+06 0.00e+00 a 0 QG1.9 HB.9
132 1.099 2.233 1 T 5.138e+06 0.00e+00 a 0 QG2.9 HB.9
133 7.200 2.081 1 T 1.891e+06 0.00e+00 a 0 H.12 HB.12
134 7.212 3.672 1 T 1.673e+06 0.00e+00 a 0 H.12 HA.12
135 2.082 3.674 1 T 1.729e+06 0.00e+00 a 0 HB.12 HA.12
136 1.983 4.210 1 T 2.011e+06 0.00e+00 a 0 HB.2 HA.2
137 1.014 4.210 1 T 3.110e+06 0.00e+00 a 0 QG2.2 HA.2
138 8.048 4.211 1 T 2.613e+06 0.00e+00 a 0 H.2 HA.2
139 8.049 1.012 1 T 2.409e+06 0.00e+00 a 0 H.2 QG2.2
140 1.983 1.278 1 T 3.854e+04 0.00e+00 a 0 HB.2 HG12.2
141 1.586 1.983 1 T 2.004e+06 0.00e+00 a 0 HG13.2 HB.2
142 1.277 1.015 1 T 6.986e+05 0.00e+00 a 0 HG12.2 QG2.2
143 1.277 1.585 1 T 7.083e+06 0.00e+00 a 0 HG12.2 HG13.2
144 1.014 4.071 1 T 1.842e+06 0.00e+00 a 0 QG2.1 HA.1
145 1.614 4.071 1 T 9.245e+05 0.00e+00 a 0 HG12.1 HA.1
146 1.614 1.307 1 T 9.624e+06 0.00e+00 a 0 HG12.1 HG13.1
147 1.308 4.072 1 T 1.688e+06 0.00e+00 a 0 HG13.1 HA.1
148 1.996 4.072 1 T 1.801e+06 0.00e+00 a 0 HB.1 HA.1
149 2.201 4.199 1 T 1.662e+06 0.00e+00 a 0 HB2.15 HA.15
150 2.215 4.199 1 T 2.018e+06 0.00e+00 a 0 HG3.15 HA.15
151 2.274 4.199 1 T 2.711e+06 0.00e+00 a 0 HB3.15 HA.15
152 2.724 2.275 1 T 5.673e+06 0.00e+00 a 0 HG2.15 HB3.15
153 7.913 2.275 1 T 2.572e+06 0.00e+00 a 0 H.15 HB3.15
154 7.914 2.214 1 T 2.148e+06 0.00e+00 a 0 H.15 HG3.15
155 7.913 4.199 1 T 1.678e+06 0.00e+00 a 0 H.15 HA.15
156 1.281 4.261 1 T 5.267e+06 0.00e+00 a 0 QG2.6 HB.6
157 1.281 4.051 1 T 3.635e+06 0.00e+00 a 0 QG2.6 HA.6
158 7.976 4.261 1 T 2.577e+06 0.00e+00 a 0 H.6 HB.6
159 7.976 4.051 1 T 3.006e+06 0.00e+00 a 0 H.6 HA.6
160 4.051 4.261 1 T 2.263e+06 0.00e+00 a 0 HA.6 HB.6
161 1.249 7.654 1 T 2.749e+05 0.00e+00 a 0 HG2.18 H.18
162 1.651 7.654 1 T 3.977e+05 0.00e+00 a 0 HD3.18 H.18
163 1.250 4.049 1 T 2.513e+06 0.00e+00 a 0 HG2.18 HA.18
164 1.445 4.049 1 T 7.635e+05 0.00e+00 a 0 HG3.18 HA.18
165 1.815 4.049 1 T 2.380e+06 0.00e+00 a 0 HB3.18 HA.18
166 7.654 1.815 1 T 3.364e+06 0.00e+00 a 0 H.18 HB3.18
167 7.655 4.049 1 T 2.250e+06 0.00e+00 a 0 H.18 HA.18
168 1.651 1.814 1 T 4.142e+06 0.00e+00 a 0 HD2.18 HB3.18
169 1.445 1.651 1 T 6.881e+06 0.00e+00 a 0 HG3.18 HD3.18
170 1.445 1.814 1 T 2.023e+06 0.00e+00 a 0 HG3.18 HB2.18
171 1.250 1.819 1 T 1.826e+06 0.00e+00 a 0 HG2.18 HB2.18
172 1.250 1.651 1 T 3.955e+06 0.00e+00 a 0 HG2.18 HD2.18
173 1.250 1.445 1 T 4.687e+06 0.00e+00 a 0 HG2.18 HG3.18
174 1.250 2.926 1 T 8.296e+05 0.00e+00 a 0 HG2.18 HE3.18
175 1.445 2.926 1 T 7.724e+05 0.00e+00 a 0 HG3.18 HE2.18
176 1.650 2.926 1 T 2.793e+06 0.00e+00 a 0 HD3.18 HE3.18
177 1.814 2.926 1 T 5.435e+05 0.00e+00 a 0 HB3.18 HE2.18
178 0.892 3.672 1 T 3.598e+06 0.00e+00 a 0 QG2.12 HA.12
179 1.614 1.996 1 T 3.364e+06 0.00e+00 a 0 HG12.1 HB.1
180 1.308 1.996 1 T 1.898e+06 0.00e+00 a 0 HG13.1 HB.1
181 1.012 1.996 1 T 4.486e+06 0.00e+00 a 0 QG2.1 HB.1
182 1.013 1.614 1 T 3.326e+06 0.00e+00 a 0 QG2.1 HG12.1
183 1.013 1.308 1 T 4.942e+06 0.00e+00 a 0 QG2.1 HG13.1
184 1.015 1.984 1 T 6.343e+06 0.00e+00 a 0 QG2.2 HB.2
185 1.014 1.585 1 T 4.551e+06 0.00e+00 a 0 QG2.2 HG13.2
186 3.972 4.422 1 T 1.477e+06 0.00e+00 a 0 HB2.7 HA.7
187 4.423 3.972 1 T 4.060e+05 0.00e+00 a 0 HA.7 HB3.7
188 8.004 3.972 1 T 2.624e+06 0.00e+00 a 0 H.7 HB3.7
189 8.006 4.422 1 T 2.310e+06 0.00e+00 a 0 H.7 HA.7
190 1.800 3.753 1 T 4.631e+05 0.00e+00 a 0 HB2.11 HD3.11
191 2.082 0.892 1 T 5.169e+06 0.00e+00 a 0 HB.12 QG2.12
192 1.303 0.892 1 T 3.433e+06 0.00e+00 a 0 HG13.12 QG2.12
193 1.302 2.082 1 T 1.177e+06 0.00e+00 a 0 HG13.12 HB.12
194 2.828 4.476 1 T 3.673e+06 0.00e+00 a 0 HB2.14 HA.14
195 2.200 2.275 1 T 1.409e+07 0.00e+00 a 0 HB2.15 HB3.15
196 1.651 4.049 1 T 8.365e+05 0.00e+00 a 0 HD3.18 HA.18
197 2.046 2.143 1 T 9.258e+06 0.00e+00 a 0 HB2.20 HB3.20
198 8.492 4.630 1 T 2.427e+06 0.00e+00 a 0 H.3 HA.3
199 7.827 3.957 1 T 1.273e+06 0.00e+00 a 0 H.5 HA.4
200 7.526 4.422 1 T 8.613e+05 0.00e+00 a 0 H.8 HA.7
201 7.838 4.257 1 T 1.131e+06 0.00e+00 a 0 H.9 HA.8
202 8.056 3.706 1 T 1.102e+06 0.00e+00 a 0 H.10 HA.9
203 8.646 3.672 1 T 7.305e+05 0.00e+00 a 0 H.13 HA.12
204 8.470 3.881 1 T 7.069e+05 0.00e+00 a 0 H.14 HA.13
205 7.913 4.475 1 T 1.112e+06 0.00e+00 a 0 H.15 HA.14
206 8.410 4.200 1 T 1.151e+06 0.00e+00 a 0 H.16 HA.15
207 8.302 4.160 1 T 1.237e+06 0.00e+00 a 0 H.17 HA.16
208 7.654 4.497 1 T 1.066e+06 0.00e+00 a 0 H.18 HA.17
209 7.819 4.048 1 T 1.462e+06 0.00e+00 a 0 H.19 HA.18
210 8.046 8.491 1 T 8.487e+05 0.00e+00 a 0 H.2 H.3
211 8.493 8.126 1 T 1.204e+06 0.00e+00 a 0 H.3 H.4
212 7.827 8.126 1 T 2.115e+06 0.00e+00 a 0 H.5 H.4
213 7.827 7.975 1 T 3.443e+06 0.00e+00 a 0 H.5 H.6
214 7.976 8.005 1 T 2.043e+07 0.00e+00 a 0 H.6 H.7
215 7.525 8.004 1 T 2.119e+06 0.00e+00 a 0 H.8 H.7
216 7.525 7.838 1 T 2.647e+06 0.00e+00 a 0 H.8 H.9
217 7.838 8.056 1 T 2.612e+06 0.00e+00 a 0 H.9 H.10
218 8.646 7.211 1 T 1.433e+06 0.00e+00 a 0 H.13 H.12
219 8.471 8.647 1 T 1.727e+06 0.00e+00 a 0 H.14 H.13
220 7.914 8.470 1 T 1.773e+06 0.00e+00 a 0 H.15 H.14
221 7.914 8.410 1 T 2.256e+06 0.00e+00 a 0 H.15 H.16
222 8.302 8.410 1 T 2.829e+06 0.00e+00 a 0 H.17 H.16
223 8.302 7.654 1 T 1.701e+06 0.00e+00 a 0 H.17 H.18
224 7.654 7.819 1 T 2.379e+06 0.00e+00 a 0 H.18 H.19
225 7.818 8.047 1 T 2.727e+06 0.00e+00 a 0 H.19 H.20
226 8.126 2.835 1 T 7.761e+05 0.00e+00 a 0 H.4 HB2.3
227 8.126 2.959 1 T 6.768e+05 0.00e+00 a 0 H.4 HB3.3
228 7.976 1.873 1 T 1.221e+06 0.00e+00 a 0 H.6 HB3.5
229 8.004 4.261 1 T 1.672e+06 0.00e+00 a 0 H.7 HB.6
230 7.526 3.973 1 T 8.523e+05 0.00e+00 a 0 H.8 HB3.7
231 2.050 7.838 1 T 1.226e+06 0.00e+00 a 0 HB.8 H.9
232 8.055 2.231 1 T 1.257e+06 0.00e+00 a 0 H.10 HB.9
233 1.799 7.212 1 T 6.808e+05 0.00e+00 a 0 HB2.11 H.12
234 8.646 2.082 1 T 1.884e+06 0.00e+00 a 0 H.13 HB.12
235 8.470 1.919 1 T 1.149e+06 0.00e+00 a 0 H.14 HB2.13
236 7.913 2.828 1 T 8.553e+05 0.00e+00 a 0 H.15 HB2.14
237 7.913 2.999 1 T 1.051e+06 0.00e+00 a 0 H.15 HB3.14
238 8.410 2.200 1 T 8.305e+05 0.00e+00 a 0 H.16 HB2.15
239 8.410 2.275 1 T 1.073e+06 0.00e+00 a 0 H.16 HB3.15
240 8.302 1.757 1 T 1.242e+06 0.00e+00 a 0 H.17 HB2.16
241 8.302 1.861 1 T 1.994e+06 0.00e+00 a 0 H.17 HB3.16
242 7.654 2.949 1 T 1.005e+06 0.00e+00 a 0 H.18 HB3.17
243 2.853 7.654 1 T 1.009e+06 0.00e+00 a 0 HB2.17 H.18
244 7.819 1.815 1 T 1.766e+06 0.00e+00 a 0 H.19 HB2.18
245 8.046 3.002 1 T 6.772e+05 0.00e+00 a 0 H.20 HB2.19
246 8.046 3.220 1 T 8.299e+05 0.00e+00 a 0 H.20 HB3.19
247 7.976 4.630 1 T 4.647e+05 0.00e+00 a 0 H.6 HA.3
248 8.004 3.958 1 T 2.313e+06 0.00e+00 a 0 H.7 HA.4
249 7.526 4.181 1 T 5.128e+05 0.00e+00 a 0 H.8 HA.5
250 7.838 4.050 1 T 1.083e+06 0.00e+00 a 0 H.9 HA.6
251 7.212 3.706 1 T 8.680e+05 0.00e+00 a 0 H.12 HA.9
252 8.470 4.476 1 T 2.826e+06 0.00e+00 a 0 H.14 HA.14
253 7.913 3.673 1 T 7.105e+05 0.00e+00 a 0 H.15 HA.12
254 8.411 3.881 1 T 8.113e+05 0.00e+00 a 0 H.16 HA.13
255 8.302 4.476 1 T 2.130e+06 0.00e+00 a 0 H.17 HA.14
256 7.654 4.198 1 T 8.658e+05 0.00e+00 a 0 H.18 HA.15
257 7.819 4.161 1 T 2.296e+06 0.00e+00 a 0 H.19 HA.16
258 8.047 4.497 1 T 1.327e+06 0.00e+00 a 0 H.20 HA.17
259 2.228 4.072 1 T 8.301e+05 0.00e+00 a 0 HB.4 HA.1
260 1.873 4.210 1 T 1.965e+06 0.00e+00 a 0 HB3.5 HA.2
261 1.699 4.210 1 T 1.487e+06 0.00e+00 a 0 HB2.5 HA.2
262 2.231 4.050 1 T 1.005e+06 0.00e+00 a 0 HB.9 HA.6
263 4.089 4.423 1 T 5.087e+05 0.00e+00 a 0 HB.10 HA.7
264 2.082 3.706 1 T 1.759e+06 0.00e+00 a 0 HB.12 HA.9
265 2.275 3.673 1 T 1.094e+06 0.00e+00 a 0 HB3.15 HA.12
266 2.949 4.475 1 T 2.212e+06 0.00e+00 a 0 HB3.17 HA.14
267 2.852 4.475 1 T 4.219e+06 0.00e+00 a 0 HB2.17 HA.14
268 1.815 4.198 1 T 1.148e+06 0.00e+00 a 0 HB2.18 HA.15
269 3.221 4.160 1 T 6.333e+05 0.00e+00 a 0 HB3.19 HA.16
270 3.002 4.160 1 T 8.386e+05 0.00e+00 a 0 HB2.19 HA.16
271 2.046 4.497 1 T 8.009e+05 0.00e+00 a 0 HB2.20 HA.17
272 7.828 4.071 1 T 1.059e+06 0.00e+00 a 0 H.5 HA.1
273 7.526 3.958 1 T 7.601e+05 0.00e+00 a 0 H.8 HA.4
274 4.051 8.054 1 T 8.482e+05 0.00e+00 a 0 HA.6 H.10
275 8.647 3.706 1 T 5.668e+05 0.00e+00 a 0 H.13 HA.9
276 7.913 4.453 1 T 1.072e+06 0.00e+00 a 0 H.15 HA.11
277 8.302 3.881 1 T 6.047e+05 0.00e+00 a 0 H.17 HA.13
278 7.654 4.475 1 T 1.005e+06 0.00e+00 a 0 H.18 HA.14
279 4.199 7.819 1 T 6.572e+05 0.00e+00 a 0 HA.15 H.19
280 4.160 8.047 1 T 4.945e+05 0.00e+00 a 0 HA.16 H.20
281 8.046 8.126 1 T 1.971e+06 0.00e+00 a 0 H.2 H.4
282 7.976 8.126 1 T 9.820e+05 0.00e+00 a 0 H.6 H.4
283 8.004 7.827 1 T 1.305e+06 0.00e+00 a 0 H.7 H.5
284 7.976 7.525 1 T 5.633e+05 0.00e+00 a 0 H.6 H.8
285 7.526 8.056 1 T 7.089e+05 0.00e+00 a 0 H.8 H.10
286 7.913 8.301 1 T 5.261e+05 0.00e+00 a 0 H.15 H.17
287 7.654 8.046 1 T 5.224e+05 0.00e+00 a 0 H.18 H.20
288 7.826 4.629 1 T 5.103e+05 0.00e+00 a 0 H.5 HA.3
289 7.976 3.956 1 T 9.810e+05 0.00e+00 a 0 H.6 HA.4
290 8.004 4.181 1 T 9.749e+05 0.00e+00 a 0 H.7 HA.5
291 7.526 4.050 1 T 8.416e+05 0.00e+00 a 0 H.8 HA.6
292 8.410 4.475 1 T 5.547e+05 0.00e+00 a 0 H.16 HA.14
293 7.654 4.160 1 T 7.389e+05 0.00e+00 a 0 H.18 HA.16
294 7.820 4.497 1 T 7.395e+05 0.00e+00 a 0 H.19 HA.17
295 3.763 8.055 1 T 8.954e+05 0.00e+00 a 0 HD3.11 H.10
296 3.500 8.055 1 T 7.832e+05 0.00e+00 a 0 HD2.11 H.10
297 2.444 4.453 1 T 2.585e+06 0.00e+00 a 0 HB3.11 HA.11
298 1.800 4.451 1 T 1.695e+06 0.00e+00 a 0 HB2.11 HA.11
299 1.569 4.180 1 T 5.772e+05 0.00e+00 a 0 HG.5 HA.5
300 2.960 4.630 1 T 1.716e+06 0.00e+00 a 0 HB3.3 HA.3
301 2.835 4.630 1 T 1.363e+06 0.00e+00 a 0 HB2.3 HA.3
302 2.949 4.497 1 T 2.547e+06 0.00e+00 a 0 HB3.17 HA.17
303 2.852 4.497 1 T 4.112e+06 0.00e+00 a 0 HB2.17 HA.17
304 3.000 4.475 1 T 3.635e+06 0.00e+00 a 0 HB3.14 HA.14
305 4.088 4.452 1 T 6.670e+05 0.00e+00 a 0 HB.10 HA.10
306 3.882 0.908 1 T 8.501e+05 0.00e+00 a 0 HA.13 QG2.12
307 8.646 0.889 1 T 1.030e+06 0.00e+00 a 0 H.13 QG2.12
308 7.654 1.446 1 T 1.094e+06 0.00e+00 a 0 H.18 HG3.18
309 7.839 2.230 1 T 3.630e+06 0.00e+00 a 0 H.9 HB.9
310 8.126 2.228 1 T 2.296e+06 0.00e+00 a 0 H.4 HB.4
311 7.020 4.181 1 T 5.205e+05 0.00e+00 a 0 H'.21 HA.20
312 6.963 4.180 1 T 4.501e+05 0.00e+00 a 0 H.21 HA.20
313 8.046 7.022 1 T 6.473e+05 0.00e+00 a 0 H.20 H'.21
314 7.022 6.963 1 T 2.137e+07 0.00e+00 a 0 H'.21 H.21
315 7.575 2.832 1 T 1.479e+06 0.00e+00 a 0 HD21.14 HB2.14
316 6.820 2.832 1 T 6.387e+05 0.00e+00 a 0 HD22.14 HB2.14
317 6.819 4.450 1 T 9.921e+05 0.00e+00 a 0 HD22.14 HA.10
318 7.576 4.450 1 T 1.262e+06 0.00e+00 a 0 HD21.14 HA.10
319 7.576 1.249 1 T 1.005e+06 0.00e+00 a 0 HD21.14 QG2.10
320 6.819 1.249 1 T 1.802e+06 0.00e+00 a 0 HD22.14 QG2.10
321 6.819 7.575 1 T 1.460e+07 0.00e+00 a 0 HD22.14 HD21.14
322 7.625 2.960 1 T 1.211e+06 0.00e+00 a 0 HD22.3 HB3.3
323 7.626 6.868 1 T 2.031e+07 0.00e+00 a 0 HD22.3 HD21.3
324 7.271 2.384 1 T 8.091e+05 0.00e+00 a 0 HE21.20 HG2.20
325 7.271 2.493 1 T 4.863e+05 0.00e+00 a 0 HE21.20 HG3.20
326 6.757 2.385 1 T 3.350e+05 0.00e+00 a 0 HE22.20 HG2.20
327 6.754 7.270 1 T 1.904e+07 0.00e+00 a 0 HE22.20 HE21.20
328 0.943 1.569 1 T 3.503e+06 0.00e+00 a 0 QD1.5 HG.5
329 0.942 1.873 1 T 5.127e+06 0.00e+00 a 0 QD1.5 HB3.5
330 1.699 0.943 1 T 2.772e+06 0.00e+00 a 0 HB2.5 QD2.5
331 0.942 4.181 1 T 2.836e+06 0.00e+00 a 0 QD1.5 HA.5
;
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' 15.00 ppm . . . 4.698 . . 31092 1
2 . . H 1 H . 'not observed' 15.00 ppm . . . 4.698 . . 31092 1
stop_
save_