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 30670
_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 8.398 4.304 1 T 8.594e+05 0.00e+00 a 0 H.1 HA2.1
2 8.403 3.809 1 T 1.594e+06 0.00e+00 a 0 H.1 HA3.1
3 7.937 4.304 1 T 5.855e+05 0.00e+00 a 0 H.2 HA2.1
4 7.939 4.392 1 T 6.505e+05 0.00e+00 a 0 H.2 HA.2
5 7.937 3.809 1 T 3.714e+05 0.00e+00 a 0 H.2 HA3.1
6 7.937 1.916 1 T 1.676e+06 0.00e+00 a 0 H.2 HB2.2
6 7.937 1.916 1 T 1.676e+06 0.00e+00 a 0 H.2 HB3.2
7 8.602 5.263 1 T 4.362e+06 0.00e+00 a 0 H.4 HA.3
8 8.617 4.388 1 T 4.676e+06 0.00e+00 a 0 H.3 HA.2
9 8.614 2.414 1 T 1.365e+06 0.00e+00 a 0 H.3 HB2.3
11 8.617 1.848 1 T 7.362e+05 0.00e+00 a 0 H.3 HB3.3
12 8.602 4.406 1 T 5.037e+06 0.00e+00 a 0 H.4 HA.4
13 8.597 1.492 1 T 1.124e+06 0.00e+00 a 0 H.4 HB2.4
14 8.579 4.598 1 T 1.070e+06 0.00e+00 a 0 H.5 HA.5
15 8.579 2.971 1 T 1.234e+06 0.00e+00 a 0 H.5 HB3.5
16 8.579 4.407 1 T 4.602e+06 0.00e+00 a 0 H.5 HA.4
18 7.326 4.596 1 T 1.310e+06 0.00e+00 a 0 H.6 HA.5
19 7.326 3.633 1 T 3.548e+05 0.00e+00 a 0 H.6 HB3.6
20 8.287 5.005 1 T 6.311e+05 0.00e+00 a 0 H.7 HA.7
21 8.295 4.278 1 T 1.704e+06 0.00e+00 a 0 H.7 HA.6
22 8.295 3.864 1 T 1.782e+06 0.00e+00 a 0 H.7 HB2.6
23 8.295 3.633 1 T 4.211e+05 0.00e+00 a 0 H.7 HB3.6
24 8.295 2.838 1 T 8.116e+05 0.00e+00 a 0 H.7 HB2.7
25 8.295 2.581 1 T 5.035e+05 0.00e+00 a 0 H.7 HB3.7
26 7.348 4.118 1 T 3.482e+05 0.00e+00 a 0 H.10 HA.10
27 7.347 0.846 1 T 1.401e+05 0.00e+00 a 0 H.10 HG13.10
28 7.345 1.406 1 T 5.494e+05 0.00e+00 a 0 H.10 HB.10
29 8.499 5.183 1 T 8.864e+05 0.00e+00 a 0 H.11 HA.11
30 8.497 3.092 1 T 2.591e+05 0.00e+00 a 0 H.11 HB2.11
31 8.497 2.946 1 T 8.133e+05 0.00e+00 a 0 H.11 HB3.11
32 8.497 4.118 1 T 4.213e+06 0.00e+00 a 0 H.11 HA.10
33 8.842 4.933 1 T 4.274e+05 0.00e+00 a 0 H.12 HA.12
34 8.850 3.357 1 T 3.393e+05 0.00e+00 a 0 H.12 HB2.12
35 8.849 2.990 1 T 1.961e+06 0.00e+00 a 0 H.12 HB3.12
36 8.850 5.181 1 T 4.114e+06 0.00e+00 a 0 H.12 HA.11
37 4.057 4.934 1 T 2.204e+06 0.00e+00 a 0 HD3.13 HA.12
38 4.008 4.934 1 T 1.254e+06 0.00e+00 a 0 HD2.13 HA.12
39 4.063 4.414 1 T 2.160e+05 0.00e+00 a 0 - -
40 4.006 4.407 1 T 1.983e+05 0.00e+00 a 0 - -
41 4.054 3.360 1 T 5.744e+05 0.00e+00 a 0 HD3.13 HB2.12
42 4.006 3.360 1 T 1.110e+06 0.00e+00 a 0 HD2.13 HB2.12
43 7.848 4.568 1 T 8.610e+05 0.00e+00 a 0 H.14 HA.14
44 7.851 4.413 1 T 5.891e+05 0.00e+00 a 0 H.14 HA.13
45 7.850 3.181 1 T 2.329e+05 0.00e+00 a 0 H.14 HB2.14
46 7.850 2.868 1 T 9.310e+05 0.00e+00 a 0 H.14 HB3.14
47 7.350 4.261 1 T 3.249e+06 0.00e+00 a 0 H.10 HA.9
48 3.631 4.278 1 T 1.699e+06 0.00e+00 a 0 - -
49 3.828 4.271 1 T 2.704e+06 0.00e+00 a 0 - -
50 3.826 2.101 1 T 2.010e+06 0.00e+00 a 0 HD3.9 HB2.9
50 3.826 2.101 1 T 2.010e+06 0.00e+00 a 0 HD3.9 HG3.9
50 3.826 2.101 1 T 2.010e+06 0.00e+00 a 0 HD3.9 HG2.9
51 3.645 2.117 1 T 1.844e+06 0.00e+00 a 0 HD2.9 HG3.9
52 3.831 3.645 1 T 1.674e+07 0.00e+00 a 0 HD3.9 HD2.9
53 3.648 3.826 1 T 2.159e+07 0.00e+00 a 0 - -
54 3.825 5.068 1 T 2.526e+06 0.00e+00 a 0 HD3.9 HA.8
55 3.646 5.068 1 T 1.548e+06 0.00e+00 a 0 HD2.9 HA.8
56 3.539 1.935 1 T 7.690e+05 0.00e+00 a 0 HD2.8 HG2.8
57 3.455 1.928 1 T 1.397e+06 0.00e+00 a 0 HD3.8 HG2.8
58 3.539 1.776 1 T 1.001e+06 0.00e+00 a 0 HD2.8 HG3.8
59 3.453 1.776 1 T 1.164e+06 0.00e+00 a 0 HD3.8 HG3.8
60 2.397 3.455 1 T 3.027e+05 0.00e+00 a 0 HB2.8 HD3.8
61 1.921 3.544 1 T 7.802e+05 0.00e+00 a 0 HG2.8 HD2.8
62 1.777 3.544 1 T 8.553e+05 0.00e+00 a 0 HG3.8 HD2.8
63 1.925 3.454 1 T 1.450e+06 0.00e+00 a 0 HG2.8 HD3.8
64 1.773 3.452 1 T 1.026e+06 0.00e+00 a 0 HG3.8 HD3.8
65 2.387 5.066 1 T 9.546e+05 0.00e+00 a 0 HB2.8 HA.8
66 2.097 5.068 1 T 9.379e+05 0.00e+00 a 0 HB3.8 HA.8
67 1.919 1.775 1 T 1.555e+07 0.00e+00 a 0 HG2.8 HG3.8
68 1.783 1.927 1 T 1.374e+07 0.00e+00 a 0 - -
69 1.780 2.083 1 T 9.118e+05 0.00e+00 a 0 HG3.8 HB3.8
70 1.925 2.077 1 T 1.436e+06 0.00e+00 a 0 - -
71 4.060 2.182 1 T 5.422e+05 0.00e+00 a 0 HD3.13 HG2.13
72 4.007 2.190 1 T 7.012e+05 0.00e+00 a 0 HD2.13 HG2.13
74 4.018 2.099 1 T 3.839e+05 0.00e+00 a 0 HD2.13 HG3.13
75 2.431 4.053 1 T 1.848e+05 0.00e+00 a 0 HB2.13 HD2.13
75 2.431 4.053 1 T 1.848e+05 0.00e+00 a 0 HB2.13 HD3.13
76 1.993 4.003 1 T 4.508e+05 0.00e+00 a 0 HB3.13 HD2.13
77 1.994 4.059 1 T 3.803e+05 0.00e+00 a 0 HB3.13 HD3.13
79 2.177 4.054 1 T 9.614e+05 0.00e+00 a 0 HG2.13 HD3.13
80 2.185 4.012 1 T 1.078e+06 0.00e+00 a 0 HG2.13 HD2.13
81 2.092 4.057 1 T 8.497e+05 0.00e+00 a 0 HG3.13 HD3.13
82 2.092 4.003 1 T 4.236e+05 0.00e+00 a 0 HG3.13 HD2.13
83 1.988 4.412 1 T 4.240e+05 0.00e+00 a 0 HB3.13 HA.13
84 2.181 4.405 1 T 2.353e+05 0.00e+00 a 0 HG2.13 HA.13
85 2.095 4.408 1 T 3.621e+05 0.00e+00 a 0 HG3.13 HA.13
86 2.429 4.414 1 T 1.180e+06 0.00e+00 a 0 HB2.13 HA.13
87 1.658 3.836 1 T 2.644e+05 0.00e+00 a 0 HB3.9 HD3.9
88 1.658 3.646 1 T 3.925e+05 0.00e+00 a 0 HB3.9 HD2.9
89 2.102 3.643 1 T 1.796e+06 0.00e+00 a 0 HB2.9 HD2.9
90 2.098 3.826 1 T 1.722e+06 0.00e+00 a 0 HG3.9 HD3.9
91 7.353 1.253 1 T 9.065e+04 0.00e+00 a 0 H.10 HG12.10
94 8.849 5.257 1 T 2.820e+05 0.00e+00 a 0 H.12 HA.3
95 8.602 5.179 1 T 2.530e+05 0.00e+00 a 0 H.4 HA.11
96 8.404 4.570 1 T 4.506e+05 0.00e+00 a 0 H.1 HA.14
97 7.850 3.361 1 T 6.699e+05 0.00e+00 a 0 H.14 HB2.12
98 7.851 2.993 1 T 4.858e+05 0.00e+00 a 0 H.14 HB3.12
99 7.937 2.993 1 T 3.761e+05 0.00e+00 a 0 H.2 HB3.12
100 8.498 0.493 1 T 3.395e+05 0.00e+00 a 0 H.11 QG2.10
101 8.849 3.100 1 T 8.416e+05 0.00e+00 a 0 H.12 HB2.11
102 7.229 2.995 1 T 9.833e+05 0.00e+00 a 0 QD.12 HB3.12
103 7.229 3.363 1 T 4.301e+05 0.00e+00 a 0 QD.12 HB2.12
104 7.324 3.267 1 T 2.926e+05 0.00e+00 a 0 QD.5 HB2.5
105 7.439 6.589 1 T 3.953e+07 0.00e+00 a 0 HD21.14 HD22.14
106 7.555 6.854 1 T 2.903e+07 0.00e+00 a 0 HD21.7 HD22.7
107 7.440 3.181 1 T 4.719e+05 0.00e+00 a 0 HD21.14 HB2.14
108 7.440 2.866 1 T 4.781e+05 0.00e+00 a 0 HD21.14 HB3.14
109 6.588 3.181 1 T 2.516e+05 0.00e+00 a 0 HD22.14 HB2.14
110 6.588 2.867 1 T 2.468e+05 0.00e+00 a 0 HD22.14 HB3.14
111 6.851 2.840 1 T 9.117e+04 0.00e+00 a 0 HD22.7 HB2.7
112 7.555 2.838 1 T 2.315e+05 0.00e+00 a 0 HD21.7 HB2.7
113 6.588 1.919 1 T 1.716e+05 0.00e+00 a 0 HD22.14 HB3.2
113 6.588 1.919 1 T 1.716e+05 0.00e+00 a 0 HD22.14 HB2.2
114 7.229 1.909 1 T 2.818e+05 0.00e+00 a 0 QD.12 HB2.2
115 8.849 7.231 1 T 2.729e+05 0.00e+00 a 0 H.12 QD.12
116 8.594 7.345 1 T 4.860e+05 0.00e+00 a 0 H.4 H.10
117 8.404 7.937 1 T 6.744e+05 0.00e+00 a 0 H.1 H.2
118 8.404 7.851 1 T 7.044e+05 0.00e+00 a 0 H.1 H.14
119 7.394 2.946 1 T 1.561e+06 0.00e+00 a 0 - HB3.11
120 7.393 3.097 1 T 3.043e+05 0.00e+00 a 0 - HB2.11
121 7.394 4.124 1 T 2.117e+05 0.00e+00 a 0 - HA.10
122 5.259 2.417 1 T 3.269e+05 0.00e+00 a 0 HA.3 HB2.3
123 5.263 1.850 1 T 3.807e+05 0.00e+00 a 0 HA.3 HB3.3
124 5.263 4.180 1 T 2.831e+05 0.00e+00 a 0 - -
125 7.937 8.406 1 T 1.297e+06 0.00e+00 a 0 H.2 H.1
126 7.851 8.406 1 T 1.260e+06 0.00e+00 a 0 H.14 H.1
128 8.296 7.328 1 T 1.421e+05 0.00e+00 a 0 H.7 H.6
129 8.497 7.394 1 T 1.853e+05 0.00e+00 a 0 H.11 -
130 5.203 3.101 1 T 2.116e+05 0.00e+00 a 0 HA.11 HB2.11
131 5.070 3.829 1 T 2.844e+05 0.00e+00 a 0 HA.8 HD3.9
132 5.056 2.386 1 T 2.496e+05 0.00e+00 a 0 - -
133 4.955 2.993 1 T 2.962e+05 0.00e+00 a 0 HA.12 HB3.12
134 4.485 4.182 1 T 2.780e+06 0.00e+00 a 0 HG2.3 HG3.3
135 4.591 2.969 1 T 3.427e+05 0.00e+00 a 0 HA.5 HB3.5
136 4.180 3.099 1 T 9.032e+05 0.00e+00 a 0 HG3.3 HB2.11
137 4.179 2.414 1 T 4.679e+05 0.00e+00 a 0 HG3.3 HB2.3
138 4.174 1.857 1 T 2.248e+05 0.00e+00 a 0 HG3.3 HB3.3
142 7.851 4.010 1 T 2.925e+05 0.00e+00 a 0 H.14 HD2.13
143 7.851 1.993 1 T 3.262e+05 0.00e+00 a 0 H.14 HB3.13
144 4.116 0.494 1 T 3.288e+05 0.00e+00 a 0 HA.10 QG2.10
145 4.114 0.849 1 T 2.114e+05 0.00e+00 a 0 HA.10 HG13.10
146 4.109 1.408 1 T 5.269e+05 0.00e+00 a 0 HA.10 HB.10
147 4.115 1.257 1 T 1.577e+05 0.00e+00 a 0 HA.10 HG12.10
148 1.446 0.497 1 T 3.607e+05 0.00e+00 a 0 HB.10 QG2.10
149 1.362 0.494 1 T 2.091e+05 0.00e+00 a 0 - QG2.10
150 1.408 0.738 1 T 2.022e+05 0.00e+00 a 0 HB.10 QD1.10
151 1.258 0.848 1 T 4.470e+06 0.00e+00 a 0 HG12.10 HG13.10
152 1.412 4.118 1 T 5.864e+05 0.00e+00 a 0 HB.10 HA.10
153 1.257 4.114 1 T 1.466e+05 0.00e+00 a 0 HG12.10 HA.10
154 0.493 4.117 1 T 5.898e+05 0.00e+00 a 0 QG2.10 HA.10
155 0.735 4.115 1 T 4.343e+05 0.00e+00 a 0 QD1.10 HA.10
156 2.887 1.642 1 T 2.398e+06 0.00e+00 a 0 HE3.2 HD2.2
156 2.887 1.642 1 T 2.398e+06 0.00e+00 a 0 HE3.2 HD3.2
156 2.887 1.642 1 T 2.398e+06 0.00e+00 a 0 HE2.2 HD2.2
156 2.887 1.642 1 T 2.398e+06 0.00e+00 a 0 HE2.2 HD3.2
157 1.921 2.873 1 T 1.463e+05 0.00e+00 a 0 - -
158 1.661 2.906 1 T 2.313e+06 0.00e+00 a 0 - -
159 4.268 2.117 1 T 5.941e+05 0.00e+00 a 0 HA.9 HB2.9
159 4.268 2.117 1 T 5.941e+05 0.00e+00 a 0 HA.9 HG3.9
159 4.268 2.117 1 T 5.941e+05 0.00e+00 a 0 HA.9 HG2.9
160 4.417 2.433 1 T 2.615e+05 0.00e+00 a 0 HA.13 HB2.13
161 4.364 1.917 1 T 1.088e+05 0.00e+00 a 0 - -
163 3.651 2.392 1 T 1.844e+05 0.00e+00 a 0 HD2.9 HB2.8
164 4.284 3.631 1 T 8.420e+05 0.00e+00 a 0 HA.6 HB3.6
166 4.318 3.811 1 T 5.330e+06 0.00e+00 a 0 HA2.1 HA3.1
167 3.536 3.455 1 T 2.395e+07 0.00e+00 a 0 - -
168 3.090 2.946 1 T 2.772e+07 0.00e+00 a 0 HB2.11 HB3.11
169 3.255 2.971 1 T 1.427e+07 0.00e+00 a 0 HB2.5 HB3.5
170 3.170 2.867 1 T 1.676e+07 0.00e+00 a 0 HB2.14 HB3.14
171 2.823 2.584 1 T 1.391e+07 0.00e+00 a 0 HB2.7 HB3.7
172 2.420 1.850 1 T 8.141e+06 0.00e+00 a 0 HB2.3 HB3.3
174 2.376 2.092 1 T 7.482e+06 0.00e+00 a 0 HB2.8 HB3.8
175 2.176 1.995 1 T 3.635e+06 0.00e+00 a 0 HG2.13 HB3.13
176 2.130 1.673 1 T 3.213e+06 0.00e+00 a 0 - HB3.9
178 1.939 1.327 1 T 1.078e+06 0.00e+00 a 0 - -
179 1.624 1.414 1 T 5.859e+06 0.00e+00 a 0 HD2.2 HG2.2
179 1.624 1.414 1 T 5.859e+06 0.00e+00 a 0 HD3.2 HG2.2
180 1.497 0.895 1 T 3.120e+06 0.00e+00 a 0 HG.4 QD2.4
180 1.497 0.895 1 T 3.120e+06 0.00e+00 a 0 HG.4 QD1.4
180 1.497 0.895 1 T 3.120e+06 0.00e+00 a 0 HB2.4 QD2.4
180 1.497 0.895 1 T 3.120e+06 0.00e+00 a 0 HB2.4 QD1.4
181 1.416 0.847 1 T 1.064e+06 0.00e+00 a 0 HB3.4 QD2.4
186 8.849 4.181 1 T 1.855e+05 0.00e+00 a 0 H.12 HG3.3
187 8.616 5.265 1 T 3.157e+06 0.00e+00 a 0 H.3 HA.3
188 8.619 4.482 1 T 2.454e+05 0.00e+00 a 0 H.3 HG2.3
190 8.613 4.181 1 T 1.989e+05 0.00e+00 a 0 H.3 HG3.3
191 8.579 3.264 1 T 4.918e+05 0.00e+00 a 0 H.5 HB2.5
192 8.588 1.418 1 T 5.573e+05 0.00e+00 a 0 H.4 HB3.4
193 8.616 1.904 1 T 5.781e+05 0.00e+00 a 0 H.3 HB3.2
193 8.616 1.904 1 T 5.781e+05 0.00e+00 a 0 H.3 HB2.2
194 7.937 1.412 1 T 1.462e+05 0.00e+00 a 0 H.2 HG2.2
195 8.497 1.405 1 T 2.294e+05 0.00e+00 a 0 H.11 HB.10
196 7.937 1.631 1 T 8.057e+04 0.00e+00 a 0 H.2 HD2.2
196 7.937 1.631 1 T 8.057e+04 0.00e+00 a 0 H.2 HD3.2
197 7.219 0.911 1 T 3.564e+05 0.00e+00 a 0 - -
198 7.220 0.733 1 T 2.188e+05 0.00e+00 a 0 - -
199 7.220 0.496 1 T 3.955e+05 0.00e+00 a 0 - -
200 7.219 1.490 1 T 3.076e+05 0.00e+00 a 0 - -
201 7.228 4.021 1 T 1.702e+05 0.00e+00 a 0 QD.12 HD2.13
202 7.324 3.862 1 T 1.982e+05 0.00e+00 a 0 H.6 HB2.6
203 7.324 4.271 1 T 3.110e+06 0.00e+00 a 0 H.6 HA.6
204 7.354 0.488 1 T 1.095e+05 0.00e+00 a 0 H.10 QG2.10
205 7.332 1.489 1 T 1.394e+05 0.00e+00 a 0 H.6 HG.4
206 7.232 4.930 1 T 2.414e+05 0.00e+00 a 0 QD.12 HA.12
208 7.393 1.665 1 T 1.654e+05 0.00e+00 a 0 - HB3.9
209 4.288 3.879 1 T 2.230e+05 0.00e+00 a 0 - -
210 4.113 0.737 1 T 9.708e+04 0.00e+00 a 0 HA.10 QD1.10
211 4.061 1.999 1 T 1.906e+05 0.00e+00 a 0 HD3.13 HB3.13
212 4.011 1.994 1 T 2.432e+05 0.00e+00 a 0 HD2.13 HB3.13
213 4.078 2.101 1 T 3.323e+05 0.00e+00 a 0 HD3.13 HG3.13
214 4.056 2.431 1 T 1.104e+05 0.00e+00 a 0 HD3.13 HB2.13
215 4.007 2.431 1 T 1.006e+05 0.00e+00 a 0 HD2.13 HB2.13
216 3.827 1.670 1 T 1.011e+05 0.00e+00 a 0 HD3.9 HB3.9
217 3.648 1.666 1 T 2.103e+05 0.00e+00 a 0 HD2.9 HB3.9
218 3.539 2.391 1 T 9.005e+04 0.00e+00 a 0 HD2.8 HB2.8
219 3.454 2.389 1 T 1.384e+05 0.00e+00 a 0 HD3.8 HB2.8
220 1.904 1.420 1 T 3.412e+05 0.00e+00 a 0 HB2.2 HG2.2
220 1.904 1.420 1 T 3.412e+05 0.00e+00 a 0 HB3.2 HG2.2
221 1.253 0.496 1 T 1.293e+05 0.00e+00 a 0 HG12.10 QG2.10
222 1.276 0.737 1 T 3.298e+06 0.00e+00 a 0 - -
223 1.946 1.417 1 T 3.260e+05 0.00e+00 a 0 - -
225 2.439 1.996 1 T 3.836e+06 0.00e+00 a 0 - -
226 8.298 6.195 1 T 2.116e+05 0.00e+00 a 0 H.7 -
227 8.847 7.941 1 T 1.116e+05 0.00e+00 a 0 H.12 H.2
228 7.938 8.610 1 T 1.520e+05 0.00e+00 a 0 H.2 H.3
229 7.936 8.849 1 T 2.359e+05 0.00e+00 a 0 - -
230 7.850 8.848 1 T 9.712e+04 0.00e+00 a 0 H.14 H.12
231 8.403 8.844 1 T 1.588e+05 0.00e+00 a 0 H.1 H.12
232 8.495 8.845 1 T 1.100e+05 0.00e+00 a 0 H.11 H.12
233 7.395 8.495 1 T 6.681e+05 0.00e+00 a 0 - -
234 7.394 8.907 1 T 6.869e+05 0.00e+00 a 0 - -
235 7.341 8.595 1 T 7.262e+05 0.00e+00 a 0 H.10 H.4
236 7.229 8.852 1 T 4.736e+05 0.00e+00 a 0 QD.12 H.12
237 7.495 6.709 1 T 8.378e+05 0.00e+00 a 0 - -
238 7.476 6.863 1 T 3.249e+05 0.00e+00 a 0 - -
239 7.477 6.766 1 T 2.003e+05 0.00e+00 a 0 - -
240 7.596 6.940 1 T 2.905e+06 0.00e+00 a 0 - -
241 7.588 6.895 1 T 4.070e+06 0.00e+00 a 0 - -
242 7.327 8.292 1 T 3.805e+05 0.00e+00 a 0 H.6 H.7
243 6.709 7.496 1 T 8.182e+05 0.00e+00 a 0 - -
244 6.514 7.358 1 T 9.196e+04 0.00e+00 a 0 - -
245 6.942 7.599 1 T 2.676e+06 0.00e+00 a 0 - -
246 6.768 7.481 1 T 1.594e+05 0.00e+00 a 0 - -
247 7.391 5.560 1 T 1.550e+05 0.00e+00 a 0 - -
248 8.241 4.537 1 T 1.679e+05 0.00e+00 a 0 - -
249 8.403 4.409 1 T 2.077e+05 0.00e+00 a 0 H.1 HA.4
250 8.137 4.120 1 T 1.451e+05 0.00e+00 a 0 - -
251 8.064 4.270 1 T 1.574e+05 0.00e+00 a 0 - -
252 7.730 4.355 1 T 1.859e+05 0.00e+00 a 0 - -
253 8.032 4.861 1 T 1.110e+05 0.00e+00 a 0 - -
254 7.396 4.036 1 T 1.921e+05 0.00e+00 a 0 - -
255 8.406 3.179 1 T 1.128e+05 0.00e+00 a 0 H.1 HB2.14
256 8.405 2.992 1 T 1.637e+05 0.00e+00 a 0 H.1 HB3.12
257 7.938 3.179 1 T 8.515e+04 0.00e+00 a 0 H.2 HB2.14
258 7.327 2.962 1 T 1.120e+05 0.00e+00 a 0 H.6 HB3.5
259 6.587 2.987 1 T 9.258e+04 0.00e+00 a 0 HD22.14 HB3.12
260 7.849 2.430 1 T 9.792e+04 0.00e+00 a 0 H.14 HB2.13
261 8.322 2.272 1 T 1.149e+05 0.00e+00 a 0 - -
262 7.346 1.661 1 T 1.668e+05 0.00e+00 a 0 H.10 HB3.9
263 7.214 1.266 1 T 1.047e+05 0.00e+00 a 0 - -
264 7.221 1.701 1 T 1.029e+05 0.00e+00 a 0 - -
265 7.439 1.915 1 T 1.021e+05 0.00e+00 a 0 - -
266 7.396 2.166 1 T 1.681e+05 0.00e+00 a 0 - -
267 7.338 2.109 1 T 2.129e+05 0.00e+00 a 0 - -
268 7.330 2.234 1 T 1.558e+05 0.00e+00 a 0 - -
269 8.241 1.463 1 T 1.045e+05 0.00e+00 a 0 - -
270 8.850 1.908 1 T 1.051e+05 0.00e+00 a 0 - -
271 8.600 0.498 1 T 9.365e+04 0.00e+00 a 0 - -
272 7.391 0.622 1 T 1.244e+05 0.00e+00 a 0 - -
273 5.267 5.175 1 T 3.898e+05 0.00e+00 a 0 - -
274 5.069 4.990 1 T 1.966e+05 0.00e+00 a 0 - -
275 5.182 4.176 1 T 1.204e+05 0.00e+00 a 0 HA.11 HG3.3
276 5.215 2.948 1 T 2.335e+05 0.00e+00 a 0 HA.11 HB3.11
277 5.144 2.941 1 T 1.920e+05 0.00e+00 a 0 - -
278 4.580 3.266 1 T 1.667e+05 0.00e+00 a 0 HA.14 HB2.5
279 4.557 3.181 1 T 1.658e+05 0.00e+00 a 0 HA.14 HB2.14
280 3.822 2.397 1 T 1.362e+05 0.00e+00 a 0 - -
281 4.242 1.664 1 T 1.804e+05 0.00e+00 a 0 - -
282 4.404 0.867 1 T 1.315e+05 0.00e+00 a 0 - -
283 4.264 0.864 1 T 1.102e+05 0.00e+00 a 0 - -
284 4.389 1.489 1 T 1.805e+05 0.00e+00 a 0 - -
285 4.400 1.418 1 T 1.908e+05 0.00e+00 a 0 - -
286 3.370 1.767 1 T 1.459e+05 0.00e+00 a 0 - -
287 4.143 3.958 1 T 6.399e+04 0.00e+00 a 0 - -
288 3.974 4.147 1 T 3.514e+05 0.00e+00 a 0 - -
289 3.974 3.835 1 T 1.212e+06 0.00e+00 a 0 - -
290 3.838 3.984 1 T 1.313e+06 0.00e+00 a 0 HD3.9 HD2.13
291 4.172 4.479 1 T 6.045e+06 0.00e+00 a 0 HG3.3 HG2.3
292 4.180 5.181 1 T 3.636e+05 0.00e+00 a 0 HG3.3 HA.11
293 4.179 5.262 1 T 4.791e+05 0.00e+00 a 0 HG3.3 HA.3
294 3.824 5.008 1 T 4.840e+05 0.00e+00 a 0 - -
295 3.650 5.005 1 T 2.824e+05 0.00e+00 a 0 - -
296 3.773 4.050 1 T 1.476e+05 0.00e+00 a 0 - -
297 3.372 4.010 1 T 1.151e+06 0.00e+00 a 0 HB2.12 HD2.13
298 3.346 4.010 1 T 1.231e+06 0.00e+00 a 0 HB2.12 HD2.13
299 3.359 4.939 1 T 5.830e+05 0.00e+00 a 0 HB2.12 HA.12
300 3.360 2.985 1 T 1.381e+06 0.00e+00 a 0 - -
301 3.264 4.595 1 T 7.194e+05 0.00e+00 a 0 HB2.5 HA.5
302 2.977 4.583 1 T 3.229e+05 0.00e+00 a 0 HB3.5 HA.5
303 3.183 4.574 1 T 6.066e+05 0.00e+00 a 0 HB2.14 HA.14
304 2.865 4.577 1 T 2.567e+05 0.00e+00 a 0 HB3.14 HA.14
305 2.952 4.180 1 T 6.674e+05 0.00e+00 a 0 HB3.11 HG3.3
306 3.097 4.173 1 T 1.022e+06 0.00e+00 a 0 HB2.11 HG3.3
307 3.100 4.479 1 T 1.986e+05 0.00e+00 a 0 HB2.11 HG2.3
308 3.097 5.176 1 T 1.154e+06 0.00e+00 a 0 HB2.11 HA.11
309 2.958 5.184 1 T 3.076e+05 0.00e+00 a 0 HB3.11 HA.11
310 2.952 3.099 1 T 2.195e+07 0.00e+00 a 0 HB3.11 HB2.11
311 2.991 4.936 1 T 4.853e+05 0.00e+00 a 0 HB3.12 HA.12
312 2.951 4.470 1 T 1.554e+05 0.00e+00 a 0 - -
313 2.839 5.007 1 T 1.025e+06 0.00e+00 a 0 HB2.7 HA.7
314 2.579 5.007 1 T -6.632e+04 0.00e+00 a 0 HB3.7 HA.7
315 2.421 5.258 1 T 3.790e+05 0.00e+00 a 0 HB2.3 HA.3
316 2.413 4.477 1 T 9.811e+05 0.00e+00 a 0 HB2.3 HG2.3
317 2.413 4.180 1 T 5.570e+05 0.00e+00 a 0 HB2.3 HG3.3
318 2.382 3.644 1 T 3.116e+05 0.00e+00 a 0 HB2.8 HD2.9
319 1.846 5.267 1 T 6.474e+05 0.00e+00 a 0 HB3.3 HA.3
320 1.921 5.069 1 T 1.162e+05 0.00e+00 a 0 HG2.8 HA.8
321 2.105 4.591 1 T 2.059e+05 0.00e+00 a 0 - HA.5
322 2.112 4.262 1 T 1.044e+06 0.00e+00 a 0 HB2.9 HA.9
323 1.906 4.386 1 T 8.078e+05 0.00e+00 a 0 HB2.2 HA.2
324 1.854 4.479 1 T 4.716e+05 0.00e+00 a 0 - -
325 1.833 4.479 1 T 5.560e+05 0.00e+00 a 0 HB3.3 HG2.3
326 1.847 4.181 1 T 3.026e+05 0.00e+00 a 0 HB3.3 HG3.3
327 1.655 4.256 1 T 3.650e+05 0.00e+00 a 0 HB3.9 HA.9
328 1.488 4.390 1 T 4.039e+05 0.00e+00 a 0 HG.4 HA.4
329 1.415 4.408 1 T 5.800e+05 0.00e+00 a 0 HB3.4 HA.4
330 1.489 3.631 1 T 1.200e+05 0.00e+00 a 0 HG.4 HB3.6
331 1.414 3.630 1 T 1.269e+05 0.00e+00 a 0 HG2.2 HB3.6
332 1.643 3.457 1 T 1.250e+05 0.00e+00 a 0 HD3.2 HD3.8
332 1.643 3.457 1 T 1.250e+05 0.00e+00 a 0 HD2.2 HD3.8
333 1.907 2.989 1 T 2.626e+05 0.00e+00 a 0 HB2.2 HB3.12
333 1.907 2.989 1 T 2.626e+05 0.00e+00 a 0 HB3.2 HB3.12
334 1.638 2.908 1 T -6.638e+05 0.00e+00 a 0 HD3.2 HE2.2
334 1.638 2.908 1 T -6.638e+05 0.00e+00 a 0 HD3.2 HE3.2
334 1.638 2.908 1 T -6.638e+05 0.00e+00 a 0 HD2.2 HE2.2
334 1.638 2.908 1 T -6.638e+05 0.00e+00 a 0 HD2.2 HE3.2
335 0.888 4.404 1 T 2.640e+05 0.00e+00 a 0 - -
336 0.865 4.404 1 T 5.376e+05 0.00e+00 a 0 - -
337 1.151 3.590 1 T 1.255e+05 0.00e+00 a 0 - -
338 2.992 1.909 1 T 2.164e+05 0.00e+00 a 0 HB3.12 HB2.2
339 2.195 2.588 1 T 2.071e+05 0.00e+00 a 0 HG2.13 HB3.7
340 2.420 2.185 1 T 7.281e+05 0.00e+00 a 0 HB2.3 HG2.13
341 2.368 2.262 1 T 6.282e+05 0.00e+00 a 0 - -
342 2.272 2.379 1 T 1.726e+06 0.00e+00 a 0 - -
343 2.188 2.424 1 T 1.392e+06 0.00e+00 a 0 HG2.13 HB2.13
344 2.101 2.388 1 T 9.908e+06 0.00e+00 a 0 HB3.8 HB2.8
345 1.982 2.429 1 T 3.149e+06 0.00e+00 a 0 HB3.13 HB2.13
346 2.000 2.185 1 T 3.357e+06 0.00e+00 a 0 HB3.13 HG2.13
347 1.837 2.411 1 T 9.196e+06 0.00e+00 a 0 HB3.3 HB2.3
348 1.762 2.386 1 T 1.888e+06 0.00e+00 a 0 HG3.8 HB2.8
349 1.918 2.379 1 T 9.287e+05 0.00e+00 a 0 HG2.8 HB2.8
350 2.072 1.773 1 T 4.443e+05 0.00e+00 a 0 HB3.8 HG3.8
351 1.654 2.104 1 T 3.749e+06 0.00e+00 a 0 HB3.9 HG2.9
351 1.654 2.104 1 T 3.749e+06 0.00e+00 a 0 HB3.9 HG3.9
352 1.310 1.914 1 T 1.641e+06 0.00e+00 a 0 HG3.2 HB3.2
353 1.399 1.895 1 T 1.539e+06 0.00e+00 a 0 HG2.2 -
354 1.425 1.640 1 T 7.159e+06 0.00e+00 a 0 HG2.2 HD3.2
354 1.425 1.640 1 T 7.159e+06 0.00e+00 a 0 HG2.2 HD2.2
355 1.336 1.626 1 T 1.119e+06 0.00e+00 a 0 HG3.2 HD3.2
355 1.336 1.626 1 T 1.119e+06 0.00e+00 a 0 HG3.2 HD2.2
356 1.123 1.244 1 T 3.116e+05 0.00e+00 a 0 - -
357 2.197 0.452 1 T 7.177e+05 0.00e+00 a 0 - -
358 2.037 0.935 1 T 1.535e+06 0.00e+00 a 0 - -
359 0.725 1.254 1 T 4.663e+06 0.00e+00 a 0 - -
360 0.660 1.260 1 T 1.500e+05 0.00e+00 a 0 - -
361 0.840 1.254 1 T 3.145e+06 0.00e+00 a 0 - -
362 0.902 1.481 1 T 1.426e+06 0.00e+00 a 0 - -
363 0.859 1.483 1 T 2.382e+06 0.00e+00 a 0 - -
364 0.829 1.403 1 T 1.428e+06 0.00e+00 a 0 - -
365 0.735 1.401 1 T 6.916e+05 0.00e+00 a 0 - -
366 0.386 0.595 1 T 2.962e+05 0.00e+00 a 0 - -
367 0.493 1.257 1 T 3.718e+05 0.00e+00 a 0 - -
368 0.521 1.406 1 T 6.563e+05 0.00e+00 a 0 - -
369 0.468 1.401 1 T 1.273e+05 0.00e+00 a 0 - -
370 0.715 0.963 1 T 3.226e+05 0.00e+00 a 0 - -
371 1.912 6.590 1 T 1.692e+05 0.00e+00 a 0 HB3.2 HD22.14
372 2.882 6.587 1 T 1.336e+05 0.00e+00 a 0 - -
373 2.844 6.586 1 T 1.070e+05 0.00e+00 a 0 - -
374 3.199 6.587 1 T 1.179e+05 0.00e+00 a 0 - -
375 3.161 6.587 1 T 1.994e+05 0.00e+00 a 0 - -
376 2.910 6.658 1 T 1.368e+05 0.00e+00 a 0 - -
377 2.991 6.587 1 T 1.114e+05 0.00e+00 a 0 - -
;
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 12 . . 12 ppm . . . 4.76 . . 30670 1
2 . . H 1 12 . . 12 ppm . . . 4.76 . . 30670 1
stop_
save_