Content for NMR-STAR saveframe, "spectral_peak_list_2"
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 30386
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '2D PreSat [1H-1H] NOESY buildup series'
_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 .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_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
14 2.728 2.730 1 T 5.146e+05 0.00e+00 a 0 H5".8 H5".8
15 2.728 3.632 1 T 4.429e+05 0.00e+00 a 0 H5".8 H5'.8
16 3.630 2.730 1 T 4.523e+05 0.00e+00 a 0 H5'.8 H5".8
20 3.630 3.630 1 T 5.016e+05 0.00e+00 a 0 H5'.8 H5'.8
21 3.833 2.730 1 T 1.352e+05 0.00e+00 a 0 H4'.8 H5".8
22 2.728 3.836 1 T 2.438e+05 0.00e+00 a 0 H5".8 H4'.8
23 3.834 3.835 1 T 9.167e+05 0.00e+00 a 0 H4'.8 H4'.8
24 5.675 3.795 1 T 8.420e+04 0.00e+00 a 0 H1'.6 H2'.6
25 4.562 3.795 1 T 1.370e+05 0.00e+00 a 0 H3'.6 H2'.6
26 3.794 4.564 1 T 1.178e+05 0.00e+00 a 0 H2'.6 H3'.6
27 3.796 5.677 1 T 1.319e+05 0.00e+00 a 0 H2'.6 H1'.6
28 3.796 3.796 1 T 7.765e+05 0.00e+00 a 0 H2'.6 H2'.6
29 5.677 5.679 1 T 2.298e+06 0.00e+00 a 0 H1'.6 H1'.6
30 4.561 4.562 1 T 2.758e+06 0.00e+00 a 0 H3'.6 H3'.6
31 3.834 3.632 1 T 1.497e+05 0.00e+00 a 0 H4'.8 H5'.8
32 3.630 3.835 1 T 3.005e+05 0.00e+00 a 0 H5'.8 H4'.8
33 4.507 3.633 1 T 7.066e+04 0.00e+00 a 0 H3'.8 H5'.8
34 3.631 4.510 1 T 1.506e+05 0.00e+00 a 0 H5'.8 H3'.8
36 4.510 4.510 1 T 2.869e+06 0.00e+00 a 0 H3'.8 H3'.8
37 3.835 4.509 1 T 1.426e+05 0.00e+00 a 0 H4'.8 H3'.8
38 4.509 3.835 1 T 1.120e+05 0.00e+00 a 0 H3'.8 H4'.8
39 4.126 5.990 1 T 7.808e+04 0.00e+00 a 0 H2'.8 H1'.8
40 5.989 4.125 1 T 4.921e+04 0.00e+00 a 0 H1'.8 H2'.8
41 6.142 7.725 1 T 1.613e+05 0.00e+00 a 0 H5.8 H6.8
42 7.724 6.143 1 T 1.684e+05 0.00e+00 a 0 H6.8 H5.8
46 7.721 7.722 1 T 1.126e+06 0.00e+00 a 0 H6.8 H6.8
47 7.726 5.991 1 T 3.740e+04 0.00e+00 a 0 H6.8 H1'.8
48 5.991 7.725 1 T 2.661e+04 0.00e+00 a 0 H1'.8 H6.8
49 5.991 5.991 1 T 2.193e+06 0.00e+00 a 0 H1'.8 H1'.8
51 4.123 4.124 1 T 9.920e+05 0.00e+00 a 0 H2'.8 H2'.8
52 3.832 5.991 1 T 4.930e+04 0.00e+00 a 0 H4'.8 H1'.8
53 5.990 3.835 1 T 3.568e+04 0.00e+00 a 0 H1'.8 H4'.8
56 7.311 5.373 1 T 2.677e+04 0.00e+00 a 0 H6.5 H1'.5
57 5.369 7.310 1 T 1.945e+04 0.00e+00 a 0 H1'.5 H6.5
58 7.309 7.310 1 T 6.081e+05 0.00e+00 a 0 H6.5 H6.5
59 5.236 7.310 1 T 1.188e+05 0.00e+00 a 0 H5.5 H6.5
60 7.308 5.238 1 T 1.416e+05 0.00e+00 a 0 H6.5 H5.5
61 5.235 5.237 1 T 9.396e+05 0.00e+00 a 0 H5.5 H5.5
66 4.389 5.373 1 T 1.444e+05 0.00e+00 a 0 H2'.5 H1'.5
67 5.371 4.387 1 T 8.991e+04 0.00e+00 a 0 H1'.5 H2'.5
69 5.372 5.373 1 T 1.173e+06 0.00e+00 a 0 H1'.5 H1'.5
71 4.387 4.387 1 T 1.393e+06 0.00e+00 a 0 H2'.5 H2'.5
72 5.371 4.441 1 T 1.786e+04 0.00e+00 a 0 H1'.5 H4'.5
73 4.441 5.374 1 T 8.668e+04 0.00e+00 a 0 H4'.5 H1'.5
74 4.441 4.441 1 T 3.115e+06 0.00e+00 a 0 H4'.5 H4'.5
75 5.368 4.171 1 T 1.275e+04 0.00e+00 a 0 H1'.5 H3'.5
76 4.170 5.373 1 T 3.699e+04 0.00e+00 a 0 H3'.5 H1'.5
77 4.170 4.170 1 T 1.297e+06 0.00e+00 a 0 H3'.5 H3'.5
79 4.387 4.172 1 T 1.469e+05 0.00e+00 a 0 H2'.5 H3'.5
80 4.171 4.387 1 T 1.922e+05 0.00e+00 a 0 H3'.5 H2'.5
81 4.440 4.170 1 T 1.406e+05 0.00e+00 a 0 H4'.5 H3'.5
82 4.170 4.441 1 T 2.952e+05 0.00e+00 a 0 H3'.5 H4'.5
83 7.700 5.554 1 T 2.156e+05 0.00e+00 a 0 H6.14 H5.14
84 5.550 7.700 1 T 1.689e+05 0.00e+00 a 0 H5.14 H6.14
85 7.700 7.700 1 T 1.066e+06 0.00e+00 a 0 H6.14 H6.14
86 5.554 5.554 1 T 1.797e+06 0.00e+00 a 0 H5.14 H5.14
87 7.698 5.775 1 T 3.184e+04 0.00e+00 a 0 H6.14 H1'.14
88 5.773 7.699 1 T 2.288e+04 0.00e+00 a 0 H1'.14 H6.14
89 5.773 5.775 1 T 1.661e+06 0.00e+00 a 0 H1'.14 H1'.14
90 4.036 5.775 1 T 1.693e+05 0.00e+00 a 0 H2'.14 H1'.14
91 5.775 4.038 1 T 1.126e+05 0.00e+00 a 0 H1'.14 H2'.14
92 5.773 4.191 1 T 4.089e+04 0.00e+00 a 0 H1'.14 H3'.14
93 4.038 4.038 1 T 2.387e+06 0.00e+00 a 0 H2'.14 H2'.14
94 4.189 5.775 1 T 9.382e+04 0.00e+00 a 0 H3'.14 H1'.14
96 4.191 4.191 1 T 2.437e+06 0.00e+00 a 0 H3'.14 H3'.14
98 5.776 4.503 1 T 4.109e+03 0.00e+00 a 0 H1'.14 H5'.14
99 4.500 5.773 1 T 1.469e+04 0.00e+00 a 0 H5'.14 H1'.14
100 4.500 4.500 1 T 1.150e+06 0.00e+00 a 0 H5'.14 H5'.14
101 8.356 8.358 1 T 1.277e+06 0.00e+00 a 0 H8.10 H8.10
102 5.670 8.358 1 T 3.703e+04 0.00e+00 a 0 H3'.9 H8.10
103 8.357 5.673 1 T 2.687e+04 0.00e+00 a 0 H8.10 H3'.9
104 8.356 4.459 1 T 3.949e+04 0.00e+00 a 0 H8.10 H1'.10
105 8.356 4.298 1 T 8.908e+04 0.00e+00 a 0 H8.10 H3'.10
106 4.297 8.358 1 T 1.718e+05 0.00e+00 a 0 H3'.10 H8.10
107 4.460 8.358 1 T 7.545e+04 0.00e+00 a 0 H1'.10 H8.10
108 4.460 4.460 1 T 3.117e+06 0.00e+00 a 0 H1'.10 H1'.10
109 4.297 4.297 1 T 1.034e+06 0.00e+00 a 0 H3'.10 H3'.10
110 7.892 7.893 1 T 1.536e+06 0.00e+00 a 0 H8.9 H8.9
112 8.356 4.536 1 T 9.337e+04 0.00e+00 a 0 H8.10 H5".10
113 4.534 8.358 1 T 1.952e+05 0.00e+00 a 0 H5".10 H8.10
114 4.536 4.536 1 T 1.837e+06 0.00e+00 a 0 H5".10 H5".10
115 8.357 4.417 1 T 1.527e+04 0.00e+00 a 0 H8.10 H4'.10
116 4.417 8.358 1 T 5.017e+04 0.00e+00 a 0 H4'.10 H8.10
117 4.417 4.417 1 T 1.825e+06 0.00e+00 a 0 H4'.10 H4'.10
119 5.994 7.893 1 T 3.147e+05 0.00e+00 a 0 H1'.9 H8.9
120 7.892 5.997 1 T 3.447e+05 0.00e+00 a 0 H8.9 H1'.9
121 5.997 5.997 1 T 2.600e+06 0.00e+00 a 0 H1'.9 H1'.9
122 7.891 2.730 1 T 6.466e+03 0.00e+00 a 0 H8.9 H5".8
123 7.889 3.633 1 T 4.602e+03 0.00e+00 a 0 H8.9 H5'.8
124 3.630 7.893 1 T 1.164e+04 0.00e+00 a 0 H5'.8 H8.9
125 2.729 7.893 1 T 1.376e+04 0.00e+00 a 0 H5".8 H8.9
126 7.892 3.836 1 T 4.974e+03 0.00e+00 a 0 H8.9 H4'.8
127 3.833 7.893 1 T 6.870e+03 0.00e+00 a 0 H4'.8 H8.9
128 7.892 4.846 1 T 8.162e+03 0.00e+00 a 0 H8.9 H2'.9
129 4.848 7.895 1 T 3.599e+03 0.00e+00 a 0 H2'.9 H8.9
130 5.672 4.846 1 T 3.826e+04 0.00e+00 a 0 H3'.9 H2'.9
131 4.842 5.676 1 T 1.795e+04 0.00e+00 a 0 H2'.9 H3'.9
132 5.672 5.672 1 T 2.136e+06 0.00e+00 a 0 H3'.9 H3'.9
134 5.670 7.894 1 T 9.529e+03 0.00e+00 a 0 H3'.9 H8.9
135 7.893 5.671 1 T 4.443e+03 0.00e+00 a 0 H8.9 H3'.9
137 5.672 5.997 1 T 4.842e+04 0.00e+00 a 0 H3'.9 H1'.9
138 5.997 5.673 1 T 1.197e+04 0.00e+00 a 0 H1'.9 H3'.9
139 8.356 5.180 1 T 6.017e+03 0.00e+00 a 0 H8.10 H5.11
140 8.356 4.846 1 T 3.841e+03 0.00e+00 a 0 H8.10 H2'.9
141 5.178 7.825 1 T 1.246e+05 0.00e+00 a 0 H5.11 H6.11
142 7.825 5.181 1 T 1.469e+05 0.00e+00 a 0 H6.11 H5.11
143 7.825 7.825 1 T 6.441e+05 0.00e+00 a 0 H6.11 H6.11
144 5.178 5.180 1 T 9.195e+05 0.00e+00 a 0 H5.11 H5.11
145 5.179 8.358 1 T 4.857e+03 0.00e+00 a 0 H5.11 H8.10
146 8.355 7.825 1 T 3.761e+03 0.00e+00 a 0 H8.10 H6.11
147 7.827 8.357 1 T 8.353e+03 0.00e+00 a 0 H6.11 H8.10
148 5.885 8.050 1 T 1.562e+05 0.00e+00 a 0 H5.7 H6.7
149 8.049 8.050 1 T 9.395e+05 0.00e+00 a 0 H6.7 H6.7
150 8.049 5.888 1 T 1.668e+05 0.00e+00 a 0 H6.7 H5.7
151 5.885 5.887 1 T 1.288e+06 0.00e+00 a 0 H5.7 H5.7
152 8.050 6.129 1 T 2.675e+04 0.00e+00 a 0 H6.7 H1'.7
153 6.129 8.050 1 T 2.688e+04 0.00e+00 a 0 H1'.7 H6.7
154 4.684 8.050 1 T 1.133e+05 0.00e+00 a 0 H2'.7 H6.7
155 8.051 4.685 1 T 1.425e+05 0.00e+00 a 0 H6.7 H2'.7
156 6.129 6.129 1 T 1.363e+06 0.00e+00 a 0 H1'.7 H1'.7
157 4.684 4.684 1 T 6.178e+05 0.00e+00 a 0 H2'.7 H2'.7
159 8.049 5.674 1 T 3.492e+03 0.00e+00 a 0 H6.7 H1'.6
161 5.674 8.050 1 T 5.378e+03 0.00e+00 a 0 H1'.6 H6.7
162 8.050 4.381 1 T 1.548e+04 0.00e+00 a 0 H6.7 H3'.7
163 8.049 4.262 1 T 1.139e+04 0.00e+00 a 0 H6.7 H5'.7
164 8.048 3.796 1 T 1.037e+04 0.00e+00 a 0 H6.7 H2'.6
165 3.795 8.050 1 T 1.006e+04 0.00e+00 a 0 H2'.6 H6.7
166 4.262 8.050 1 T 2.520e+04 0.00e+00 a 0 H5'.7 H6.7
167 4.262 4.262 1 T 6.120e+05 0.00e+00 a 0 H5'.7 H5'.7
168 4.380 8.050 1 T 2.056e+04 0.00e+00 a 0 H3'.7 H6.7
169 4.381 4.381 1 T 1.467e+06 0.00e+00 a 0 H3'.7 H3'.7
170 6.133 4.687 1 T 3.489e+04 0.00e+00 a 0 H1'.7 H2'.7
171 4.683 6.130 1 T 3.411e+04 0.00e+00 a 0 H2'.7 H1'.7
172 6.133 4.509 1 T 5.467e+04 0.00e+00 a 0 H1'.7 H4'.7
173 4.509 6.134 1 T 5.322e+04 0.00e+00 a 0 H4'.7 H1'.7
174 4.509 4.509 1 T 2.869e+06 0.00e+00 a 0 H4'.7 H4'.7
175 4.846 4.846 1 T 2.560e+05 0.00e+00 a 0 H2'.9 H2'.9
176 8.082 8.083 1 T 2.243e+06 0.00e+00 a 0 H8.4 H8.4
177 5.347 7.739 1 T 1.147e+05 0.00e+00 a 0 H5.3 H6.3
178 7.739 7.739 1 T 7.151e+05 0.00e+00 a 0 H6.3 H6.3
179 7.739 5.350 1 T 1.304e+05 0.00e+00 a 0 H6.3 H5.3
180 5.350 5.350 1 T 8.749e+05 0.00e+00 a 0 H5.3 H5.3
181 5.562 7.739 1 T 1.364e+04 0.00e+00 a 0 H1'.3 H6.3
182 7.740 5.562 1 T 6.202e+04 0.00e+00 a 0 H6.3 H1'.3
183 5.562 5.562 1 T 2.018e+06 0.00e+00 a 0 H1'.3 H1'.3
184 8.084 7.311 1 T 5.058e+03 0.00e+00 a 0 H8.4 H6.5
185 7.312 8.086 1 T 1.191e+04 0.00e+00 a 0 H6.5 H8.4
186 8.083 7.740 1 T 1.066e+04 0.00e+00 a 0 H8.4 H6.3
188 8.085 6.004 1 T 1.598e+04 0.00e+00 a 0 H8.4 H1'.4
189 6.002 8.087 1 T 1.544e+04 0.00e+00 a 0 H1'.4 H8.4
191 6.003 4.650 1 T 6.494e+04 0.00e+00 a 0 H1'.4 H2'.4
192 4.648 6.004 1 T 8.909e+04 0.00e+00 a 0 H2'.4 H1'.4
193 6.002 4.670 1 T 9.012e+03 0.00e+00 a 0 H1'.4 H3'.4
194 4.670 6.002 1 T 7.217e+04 0.00e+00 a 0 H3'.4 H1'.4
195 5.681 7.780 1 T 1.417e+05 0.00e+00 a 0 H5.6 H6.6
196 7.777 5.682 1 T 1.667e+05 0.00e+00 a 0 H6.6 H5.6
197 7.779 7.779 1 T 6.599e+05 0.00e+00 a 0 H6.6 H6.6
198 5.681 5.681 1 T 2.298e+06 0.00e+00 a 0 H5.6 H5.6
199 7.313 7.780 1 T 1.060e+04 0.00e+00 a 0 H6.5 H6.6
200 7.778 7.311 1 T 8.643e+03 0.00e+00 a 0 H6.6 H6.5
201 7.449 7.451 1 T 1.055e+06 0.00e+00 a 0 H2.4 H2.4
202 5.304 7.712 1 T 1.259e+05 0.00e+00 a 0 H5.13 H6.13
203 7.710 5.307 1 T 1.533e+05 0.00e+00 a 0 H6.13 H5.13
204 7.710 7.710 1 T 1.054e+06 0.00e+00 a 0 H6.13 H6.13
205 5.305 5.307 1 T 9.607e+05 0.00e+00 a 0 H5.13 H5.13
206 7.638 7.639 1 T 9.463e+05 0.00e+00 a 0 H8.2 H8.2
207 7.311 6.004 1 T 1.207e+04 0.00e+00 a 0 H6.5 H1'.4
208 6.002 7.310 1 T 7.722e+03 0.00e+00 a 0 H1'.4 H6.5
209 5.683 7.310 1 T 1.019e+04 0.00e+00 a 0 H5.6 H6.5
210 7.309 5.683 1 T 1.112e+04 0.00e+00 a 0 H6.5 H5.6
211 4.651 7.310 1 T 1.032e+05 0.00e+00 a 0 H2'.4 H6.5
212 4.651 4.651 1 T 9.024e+05 0.00e+00 a 0 H2'.4 H2'.4
213 7.309 4.650 1 T 1.275e+05 0.00e+00 a 0 H6.5 H2'.4
214 7.309 4.671 1 T 2.356e+04 0.00e+00 a 0 H6.5 H3'.4
215 4.670 7.310 1 T 8.785e+04 0.00e+00 a 0 H3'.4 H6.5
216 4.670 4.670 1 T 3.142e+05 0.00e+00 a 0 H3'.4 H3'.4
217 4.170 7.310 1 T 1.125e+05 0.00e+00 a 0 H3'.5 H6.5
218 7.309 4.173 1 T 7.143e+04 0.00e+00 a 0 H6.5 H3'.5
219 7.311 4.472 1 T 1.782e+04 0.00e+00 a 0 H6.5 H5'.5
220 7.310 4.439 1 T 1.033e+04 0.00e+00 a 0 H6.5 H4'.5
221 7.309 4.387 1 T 2.063e+04 0.00e+00 a 0 H6.5 H2'.5
222 4.387 7.310 1 T 3.104e+04 0.00e+00 a 0 H2'.5 H6.5
223 4.440 7.309 1 T 3.932e+04 0.00e+00 a 0 H4'.5 H6.5
224 7.310 4.053 1 T 2.586e+04 0.00e+00 a 0 H6.5 H5".5
225 4.053 4.053 1 T 2.141e+06 0.00e+00 a 0 H5".5 H5".5
226 4.054 7.310 1 T 5.280e+04 0.00e+00 a 0 H5".5 H6.5
227 4.472 4.472 1 T 1.700e+06 0.00e+00 a 0 H5'.5 H5'.5
228 4.053 4.470 1 T 4.065e+05 0.00e+00 a 0 H5".5 H5'.5
229 4.473 4.054 1 T 7.696e+05 0.00e+00 a 0 H5'.5 H5".5
230 4.472 7.311 1 T 4.469e+04 0.00e+00 a 0 H5'.5 H6.5
232 7.638 4.948 1 T 1.131e+05 0.00e+00 a 0 H8.2 H2'.1
233 8.079 4.948 1 T 2.977e+04 0.00e+00 a 0 H8.1 H2'.1
234 8.078 7.640 1 T 7.983e+03 0.00e+00 a 0 H8.1 H8.2
235 5.804 4.948 1 T 6.533e+04 0.00e+00 a 0 H1'.1 H2'.1
236 4.946 5.806 1 T 5.722e+04 0.00e+00 a 0 H2'.1 H1'.1
237 5.804 5.806 1 T 1.259e+06 0.00e+00 a 0 H1'.1 H1'.1
238 4.946 4.948 1 T 3.459e+05 0.00e+00 a 0 H2'.1 H2'.1
239 4.418 4.947 1 T 2.182e+04 0.00e+00 a 0 H4'.1 H2'.1
240 4.416 5.806 1 T 4.574e+04 0.00e+00 a 0 H4'.1 H1'.1
241 4.423 4.846 1 T 5.638e+04 0.00e+00 a 0 H4'.10 H2'.9
242 4.844 4.415 1 T 6.412e+03 0.00e+00 a 0 H2'.9 H4'.10
243 4.640 4.948 1 T 8.979e+04 0.00e+00 a 0 H3'.1 H2'.1
244 4.946 4.645 1 T 4.412e+04 0.00e+00 a 0 H2'.1 H3'.1
245 5.868 7.451 1 T 2.721e+04 0.00e+00 a 0 H1'.12 H2.4
246 7.448 5.871 1 T 2.067e+04 0.00e+00 a 0 H2.4 H1'.12
247 5.871 5.871 1 T 1.351e+06 0.00e+00 a 0 H1'.12 H1'.12
248 5.868 7.809 1 T 1.926e+04 0.00e+00 a 0 H1'.12 H8.12
249 7.809 5.871 1 T 2.202e+04 0.00e+00 a 0 H8.12 H1'.12
250 7.809 7.811 1 T 8.763e+05 0.00e+00 a 0 H8.12 H8.12
252 7.809 4.692 1 T 1.400e+05 0.00e+00 a 0 H8.12 H2'.11
253 5.583 4.692 1 T 5.645e+04 0.00e+00 a 0 H1'.11 H2'.11
255 4.692 7.809 1 T 1.093e+05 0.00e+00 a 0 H2'.11 H8.12
256 4.692 4.692 1 T 6.591e+05 0.00e+00 a 0 H2'.11 H2'.11
257 4.689 5.585 1 T 5.272e+04 0.00e+00 a 0 H2'.11 H1'.11
258 5.582 5.583 1 T 9.195e+05 0.00e+00 a 0 H1'.11 H1'.11
259 5.584 7.823 1 T 1.422e+04 0.00e+00 a 0 H1'.11 H6.11
262 7.825 5.584 1 T 3.067e+04 0.00e+00 a 0 H6.11 H1'.11
265 2.728 5.994 1 T 1.690e+04 0.00e+00 a 0 H5".8 H1'.8
266 5.991 2.730 1 T 6.612e+03 0.00e+00 a 0 H1'.8 H5".8
267 2.727 6.139 1 T 6.629e+03 0.00e+00 a 0 H5".8 H5.8
268 6.136 2.728 1 T 4.561e+03 0.00e+00 a 0 H5.8 H5".8
269 7.724 2.730 1 T 1.939e+04 0.00e+00 a 0 H6.8 H5".8
270 2.728 7.725 1 T 3.272e+04 0.00e+00 a 0 H5".8 H6.8
271 4.506 2.730 1 T 3.986e+04 0.00e+00 a 0 H3'.8 H5".8
272 2.728 4.510 1 T 7.829e+04 0.00e+00 a 0 H5".8 H3'.8
273 2.727 4.445 1 T 2.872e+04 0.00e+00 a 0 H5".8 H5'.9
274 4.445 2.728 1 T 2.060e+04 0.00e+00 a 0 H5'.9 H5".8
275 4.445 4.445 1 T 3.161e+06 0.00e+00 a 0 H5'.9 H5'.9
276 5.993 4.445 1 T 4.080e+04 0.00e+00 a 0 H1'.9 H4'.9
277 4.445 5.996 1 T 8.590e+04 0.00e+00 a 0 H4'.9 H1'.9
278 4.844 5.997 1 T 1.603e+04 0.00e+00 a 0 H2'.9 H1'.9
279 5.994 4.845 1 T 2.564e+04 0.00e+00 a 0 H1'.9 H2'.9
280 5.804 8.081 1 T 2.677e+04 0.00e+00 a 0 H1'.1 H8.1
281 8.079 5.806 1 T 3.317e+04 0.00e+00 a 0 H8.1 H1'.1
282 7.448 5.373 1 T 3.422e+04 0.00e+00 a 0 H2.4 H1'.5
283 5.371 7.451 1 T 4.189e+04 0.00e+00 a 0 H1'.5 H2.4
284 5.560 8.087 1 T 1.454e+04 0.00e+00 a 0 H1'.3 H8.4
285 8.085 5.561 1 T 1.673e+04 0.00e+00 a 0 H8.4 H1'.3
286 5.558 4.564 1 T 9.159e+04 0.00e+00 a 0 H1'.3 H2'.3
287 8.085 4.600 1 T 3.153e+04 0.00e+00 a 0 H8.4 H5'.4
288 4.601 8.086 1 T 1.406e+05 0.00e+00 a 0 H5'.4 H8.4
289 4.599 4.603 1 T 1.223e+06 0.00e+00 a 0 H5'.4 H5'.4
290 8.086 4.185 1 T 2.119e+04 0.00e+00 a 0 H8.4 H5".4
291 4.185 4.185 1 T 2.241e+06 0.00e+00 a 0 H5".4 H5".4
292 4.182 8.087 1 T 4.269e+04 0.00e+00 a 0 H5".4 H8.4
293 4.185 4.601 1 T 2.460e+05 0.00e+00 a 0 H5".4 H5'.4
294 4.600 4.186 1 T 2.468e+05 0.00e+00 a 0 H5'.4 H5".4
295 8.085 4.564 1 T 1.677e+05 0.00e+00 a 0 H8.4 H2'.3
296 4.564 8.086 1 T 2.217e+05 0.00e+00 a 0 H2'.3 H8.4
297 4.564 4.564 1 T 2.758e+06 0.00e+00 a 0 H2'.3 H2'.3
298 4.565 5.561 1 T 1.294e+05 0.00e+00 a 0 H2'.3 H1'.3
299 6.142 4.565 1 T 1.812e+04 0.00e+00 a 0 H5.8 H3'.6
300 4.565 6.142 1 T 2.653e+04 0.00e+00 a 0 H3'.6 H5.8
302 8.086 5.238 1 T 7.753e+03 0.00e+00 a 0 H8.4 H5.5
303 5.681 5.238 1 T 1.942e+04 0.00e+00 a 0 H5.6 H5.5
304 5.237 5.681 1 T 3.484e+04 0.00e+00 a 0 H5.5 H5.6
305 5.237 8.087 1 T 7.940e+03 0.00e+00 a 0 H5.5 H8.4
306 4.946 8.082 1 T 1.862e+04 0.00e+00 a 0 H2'.1 H8.1
307 8.083 4.651 1 T 4.766e+04 0.00e+00 a 0 H8.4 H2'.4
308 4.650 8.085 1 T 9.598e+04 0.00e+00 a 0 H2'.4 H8.4
309 8.082 4.670 1 T 4.290e+04 0.00e+00 a 0 H8.4 H3'.4
311 8.082 4.535 1 T 9.568e+03 0.00e+00 a 0 H8.4 H4'.4
312 6.002 4.534 1 T 1.452e+04 0.00e+00 a 0 H1'.4 H4'.4
313 4.539 6.003 1 T 5.969e+04 0.00e+00 a 0 H4'.4 H1'.4
314 4.534 4.534 1 T 1.837e+06 0.00e+00 a 0 H4'.4 H4'.4
317 8.050 4.509 1 T 1.160e+04 0.00e+00 a 0 H6.7 H4'.7
319 4.509 8.050 1 T 2.058e+04 0.00e+00 a 0 H4'.7 H6.7
321 8.054 4.054 1 T 2.561e+04 0.00e+00 a 0 H6.7 H5".7
322 4.054 4.054 1 T 2.141e+06 0.00e+00 a 0 H5".7 H5".7
323 4.054 8.050 1 T 4.350e+04 0.00e+00 a 0 H5".7 H6.7
326 6.141 4.053 1 T 1.237e+05 0.00e+00 a 0 H5.8 H5".7
328 4.057 6.143 1 T 2.190e+05 0.00e+00 a 0 H5".7 H5.8
329 6.141 4.125 1 T 2.186e+04 0.00e+00 a 0 H5.8 H2'.8
330 4.125 6.141 1 T 4.475e+04 0.00e+00 a 0 H2'.8 H5.8
331 6.140 4.263 1 T 3.932e+04 0.00e+00 a 0 H5.8 H5'.7
332 4.261 6.142 1 T 6.898e+04 0.00e+00 a 0 H5'.7 H5.8
334 6.142 6.142 1 T 1.435e+06 0.00e+00 a 0 H5.8 H5.8
335 3.794 6.143 1 T 9.352e+04 0.00e+00 a 0 H2'.6 H5.8
336 6.142 3.795 1 T 1.332e+05 0.00e+00 a 0 H5.8 H2'.6
337 8.080 3.971 1 T 3.672e+04 0.00e+00 a 0 H8.1 H5".1
338 7.824 4.457 1 T 1.809e+05 0.00e+00 a 0 H6.11 H2'.10
339 4.454 7.826 1 T 1.957e+05 0.00e+00 a 0 H2'.10 H6.11
341 7.825 4.294 1 T 3.644e+04 0.00e+00 a 0 H6.11 H3'.10
342 4.294 7.825 1 T 6.218e+04 0.00e+00 a 0 H3'.10 H6.11
348 7.825 4.608 1 T 8.571e+04 0.00e+00 a 0 H6.11 H3'.11
349 4.608 7.825 1 T 7.083e+04 0.00e+00 a 0 H3'.11 H6.11
350 7.825 4.692 1 T 9.598e+04 0.00e+00 a 0 H6.11 H2'.11
351 4.692 7.825 1 T 8.777e+03 0.00e+00 a 0 H2'.11 H6.11
352 4.167 7.810 1 T 4.346e+04 0.00e+00 a 0 H5".12 H8.12
353 7.810 4.167 1 T 3.603e+04 0.00e+00 a 0 H8.12 H5".12
354 4.166 4.167 1 T 1.085e+06 0.00e+00 a 0 H5".12 H5".12
357 7.809 4.608 1 T 9.526e+04 0.00e+00 a 0 H8.12 H3'.11
358 4.608 7.809 1 T 9.612e+04 0.00e+00 a 0 H3'.11 H8.12
359 7.778 4.387 1 T 1.408e+05 0.00e+00 a 0 H6.6 H2'.5
360 4.385 7.779 1 T 1.434e+05 0.00e+00 a 0 H2'.5 H6.6
361 7.778 4.170 1 T 5.401e+04 0.00e+00 a 0 H6.6 H3'.5
362 4.169 7.780 1 T 6.450e+04 0.00e+00 a 0 H3'.5 H6.6
363 4.559 7.780 1 T 1.091e+05 0.00e+00 a 0 H3'.6 H6.6
364 7.779 4.558 1 T 1.244e+05 0.00e+00 a 0 H6.6 H3'.6
365 3.794 7.779 1 T 2.355e+04 0.00e+00 a 0 H2'.6 H6.6
366 7.779 3.794 1 T 2.943e+04 0.00e+00 a 0 H6.6 H2'.6
373 5.926 4.571 1 T 8.338e+04 0.00e+00 a 0 H1'.2 H2'.2
374 4.571 4.572 1 T 1.507e+06 0.00e+00 a 0 H2'.2 H2'.2
375 4.568 5.931 1 T 1.231e+05 0.00e+00 a 0 H2'.2 H1'.2
377 5.929 5.931 1 T 1.182e+06 0.00e+00 a 0 H1'.2 H1'.2
379 4.571 7.740 1 T 1.689e+05 0.00e+00 a 0 H2'.2 H6.3
380 7.744 4.605 1 T 8.333e+04 0.00e+00 a 0 H6.3 H3'.3
381 5.870 7.713 1 T 1.442e+04 0.00e+00 a 0 H1'.12 H6.13
382 7.712 5.871 1 T 2.050e+04 0.00e+00 a 0 H6.13 H1'.12
383 7.705 5.515 1 T 4.561e+04 0.00e+00 a 0 H6.13 H1'.13
384 7.707 4.429 1 T 2.916e+04 0.00e+00 a 0 H6.13 H5'.13
385 7.708 4.461 1 T 1.252e+05 0.00e+00 a 0 H6.13 H3'.13
386 7.700 4.280 1 T 2.427e+05 0.00e+00 a 0 H6.14 H2'.13
387 7.698 4.195 1 T 1.329e+05 0.00e+00 a 0 H6.14 H3'.14
388 5.518 4.280 1 T 1.121e+05 0.00e+00 a 0 H1'.13 H2'.13
389 5.513 5.515 1 T 1.340e+06 0.00e+00 a 0 H1'.13 H1'.13
390 4.278 5.515 1 T 1.536e+05 0.00e+00 a 0 H2'.13 H1'.13
392 4.280 4.280 1 T 1.368e+06 0.00e+00 a 0 H2'.13 H2'.13
393 4.277 7.700 1 T 2.023e+05 0.00e+00 a 0 H2'.13 H6.14
394 5.515 7.705 1 T 7.646e+04 0.00e+00 a 0 H1'.13 H6.13
396 5.518 4.461 1 T 2.211e+04 0.00e+00 a 0 H1'.13 H3'.13
397 4.461 5.515 1 T 6.331e+04 0.00e+00 a 0 H3'.13 H1'.13
398 4.461 4.461 1 T 3.117e+06 0.00e+00 a 0 H3'.13 H3'.13
399 5.773 4.279 1 T 8.651e+03 0.00e+00 a 0 H1'.14 H2'.13
400 4.279 5.773 1 T 1.928e+04 0.00e+00 a 0 H2'.13 H1'.14
402 7.446 6.004 1 T 4.778e+03 0.00e+00 a 0 H2.4 H1'.4
403 6.000 7.452 1 T 5.328e+03 0.00e+00 a 0 H1'.4 H2.4
404 7.639 5.931 1 T 2.289e+04 0.00e+00 a 0 H8.2 H1'.2
405 7.737 5.931 1 T 1.608e+04 0.00e+00 a 0 H6.3 H1'.2
407 5.931 7.737 1 T 1.122e+04 0.00e+00 a 0 H1'.2 H6.3
409 7.638 5.806 1 T 2.043e+04 0.00e+00 a 0 H8.2 H1'.1
410 7.642 4.644 1 T 3.353e+04 0.00e+00 a 0 H8.2 H3'.1
414 4.237 5.931 1 T 9.005e+03 0.00e+00 a 0 H5".2 H1'.2
415 4.945 5.931 1 T 9.084e+03 0.00e+00 a 0 H2'.1 H1'.2
416 4.946 7.639 1 T 9.873e+04 0.00e+00 a 0 H2'.1 H8.2
417 5.804 7.639 1 T 2.277e+04 0.00e+00 a 0 H1'.1 H8.2
418 5.928 7.639 1 T 1.821e+04 0.00e+00 a 0 H1'.2 H8.2
420 5.885 4.688 1 T 2.486e+04 0.00e+00 a 0 H5.7 H2'.7
421 4.689 5.885 1 T 1.423e+04 0.00e+00 a 0 H2'.7 H5.7
422 4.380 5.887 1 T 4.775e+04 0.00e+00 a 0 H4'.6 H5.7
423 5.885 4.381 1 T 3.692e+04 0.00e+00 a 0 H5.7 H4'.6
424 5.931 4.238 1 T 2.181e+03 0.00e+00 a 0 H1'.2 H5".2
426 3.794 5.886 1 T 2.812e+03 0.00e+00 a 0 H2'.6 H5.7
427 4.050 2.729 1 T 1.961e+04 0.00e+00 a 0 H5".7 H5".8
428 2.727 4.049 1 T 3.404e+04 0.00e+00 a 0 H5".8 H5".7
430 4.124 2.729 1 T 1.373e+04 0.00e+00 a 0 H2'.8 H5".8
431 2.728 4.125 1 T 2.342e+04 0.00e+00 a 0 H5".8 H2'.8
433 2.726 4.223 1 T 6.627e+03 0.00e+00 a 0 H5".8 H5".9
434 4.223 2.729 1 T 3.395e+03 0.00e+00 a 0 H5".9 H5".8
435 4.223 4.223 1 T 6.629e+05 0.00e+00 a 0 H5".9 H5".9
436 2.727 4.685 1 T 5.795e+03 0.00e+00 a 0 H5".8 H2'.7
437 4.684 2.730 1 T 5.657e+02 0.00e+00 a 0 H2'.7 H5".8
438 4.453 5.180 1 T 3.987e+04 0.00e+00 a 0 H2'.10 H5.11
439 4.293 5.180 1 T 3.857e+04 0.00e+00 a 0 H3'.10 H5.11
440 5.179 4.458 1 T 2.268e+04 0.00e+00 a 0 H5.11 H2'.10
441 5.179 4.293 1 T 1.564e+04 0.00e+00 a 0 H5.11 H3'.10
442 4.654 5.237 1 T 2.745e+04 0.00e+00 a 0 H2'.4 H5.5
443 5.237 4.651 1 T 1.893e+04 0.00e+00 a 0 H5.5 H2'.4
444 4.942 4.414 1 T 1.075e+03 0.00e+00 a 0 H2'.1 H4'.1
448 5.548 5.303 1 T 1.845e+04 0.00e+00 a 0 H5.14 H5.13
450 8.079 8.079 1 T 1.475e+06 0.00e+00 a 0 H8.1 H8.1
452 4.417 3.971 1 T 1.021e+05 0.00e+00 a 0 H4'.1 H5".1
453 4.642 3.970 1 T 2.321e+04 0.00e+00 a 0 H3'.1 H5".1
454 3.970 4.947 1 T 1.859e+04 0.00e+00 a 0 H5".1 H2'.1
455 4.947 3.965 1 T 1.105e+03 0.00e+00 a 0 H2'.1 H5".1
456 3.971 3.972 1 T 8.432e+05 0.00e+00 a 0 H5".1 H5".1
457 5.804 3.970 1 T 1.969e+03 0.00e+00 a 0 H1'.1 H5".1
458 3.970 5.806 1 T 1.726e+04 0.00e+00 a 0 H5".1 H1'.1
459 3.970 8.082 1 T 1.191e+05 0.00e+00 a 0 H5".1 H8.1
460 3.974 4.420 1 T 2.313e+05 0.00e+00 a 0 H5".1 H4'.1
461 4.070 3.971 1 T 5.824e+05 0.00e+00 a 0 H5'.1 H5".1
462 3.973 4.070 1 T 7.284e+05 0.00e+00 a 0 H5".1 H5'.1
464 4.608 4.608 1 T 1.166e+06 0.00e+00 a 0 H3'.11 H3'.11
465 5.569 4.607 1 T 2.031e+04 0.00e+00 a 0 H1'.11 H3'.11
467 4.605 4.605 1 T 1.223e+06 0.00e+00 a 0 H4'.2 H4'.2
468 4.604 7.740 1 T 1.640e+05 0.00e+00 a 0 H3'.3 H6.3
469 4.605 5.931 1 T 6.656e+04 0.00e+00 a 0 H4'.2 H1'.2
470 5.931 4.605 1 T 1.875e+03 0.00e+00 a 0 H1'.2 H4'.2
471 7.785 5.374 1 T 1.121e+04 0.00e+00 a 0 H6.6 H1'.5
472 5.376 7.779 1 T 8.545e+03 0.00e+00 a 0 H1'.5 H6.6
473 5.304 7.810 1 T 9.309e+03 0.00e+00 a 0 H5.13 H8.12
474 7.810 5.307 1 T 1.473e+04 0.00e+00 a 0 H8.12 H5.13
475 5.345 7.640 1 T 7.817e+03 0.00e+00 a 0 H5.3 H8.2
476 7.639 5.350 1 T 1.822e+04 0.00e+00 a 0 H8.2 H5.3
477 4.647 7.639 1 T 6.648e+04 0.00e+00 a 0 H3'.1 H8.2
478 4.688 7.639 1 T 4.622e+04 0.00e+00 a 0 H3'.2 H8.2
479 4.235 7.639 1 T 3.909e+04 0.00e+00 a 0 H5".2 H8.2
480 7.637 4.237 1 T 2.006e+04 0.00e+00 a 0 H8.2 H5".2
481 4.641 5.805 1 T 2.359e+04 0.00e+00 a 0 H3'.1 H1'.1
482 5.808 4.645 1 T 1.402e+04 0.00e+00 a 0 H1'.1 H3'.1
483 4.644 4.645 1 T 9.628e+05 0.00e+00 a 0 H3'.1 H3'.1
484 8.081 4.419 1 T 9.463e+03 0.00e+00 a 0 H8.1 H4'.1
485 4.068 8.082 1 T 6.957e+04 0.00e+00 a 0 H5'.1 H8.1
486 5.802 4.419 1 T 1.905e+04 0.00e+00 a 0 H1'.1 H4'.1
487 4.419 8.082 1 T 2.636e+04 0.00e+00 a 0 H4'.1 H8.1
488 4.046 5.806 1 T 2.602e+04 0.00e+00 a 0 H5'.1 H1'.1
490 4.458 7.710 1 T 1.539e+05 0.00e+00 a 0 H3'.13 H6.13
491 7.720 4.509 1 T 6.509e+04 0.00e+00 a 0 H6.8 H4'.7
492 4.509 7.725 1 T 6.872e+04 0.00e+00 a 0 H4'.7 H6.8
493 4.084 7.825 1 T 2.803e+04 0.00e+00 a 0 H5".11 H6.11
495 7.825 4.084 1 T 1.510e+04 0.00e+00 a 0 H6.11 H5".11
496 4.084 4.084 1 T 1.532e+06 0.00e+00 a 0 H5".11 H5".11
497 4.439 7.893 1 T 1.496e+04 0.00e+00 a 0 H4'.9 H8.9
498 4.442 5.674 1 T 2.181e+05 0.00e+00 a 0 H4'.9 H3'.9
499 5.670 4.445 1 T 1.662e+05 0.00e+00 a 0 H3'.9 H4'.9
500 7.893 4.439 1 T 4.030e+03 0.00e+00 a 0 H8.9 H4'.9
501 5.675 4.564 1 T 2.300e+04 0.00e+00 a 0 H5.6 H3'.6
502 5.677 4.385 1 T 4.376e+04 0.00e+00 a 0 H1'.6 H4'.6
503 4.385 5.677 1 T 1.247e+05 0.00e+00 a 0 H4'.6 H1'.6
504 5.670 4.223 1 T 6.411e+04 0.00e+00 a 0 H3'.9 H5".9
505 4.217 5.674 1 T 1.012e+05 0.00e+00 a 0 H5".9 H3'.9
506 4.277 5.554 1 T 3.916e+04 0.00e+00 a 0 H2'.13 H5.14
507 4.193 5.555 1 T 3.489e+04 0.00e+00 a 0 H3'.14 H5.14
508 5.551 4.195 1 T 1.150e+04 0.00e+00 a 0 H5.14 H3'.14
509 5.554 4.280 1 T 5.563e+04 0.00e+00 a 0 H5.14 H2'.13
510 5.682 4.173 1 T 1.967e+04 0.00e+00 a 0 H5.6 H3'.5
511 4.173 5.682 1 T 6.169e+04 0.00e+00 a 0 H3'.5 H5.6
512 4.564 5.680 1 T 5.305e+04 0.00e+00 a 0 H3'.6 H5.6
513 5.671 3.836 1 T 1.941e+04 0.00e+00 a 0 H3'.9 H4'.8
514 3.836 5.671 1 T 3.255e+04 0.00e+00 a 0 H4'.8 H3'.9
515 4.170 5.238 1 T 1.959e+04 0.00e+00 a 0 H3'.5 H5.5
516 5.239 4.172 1 T 6.330e+03 0.00e+00 a 0 H5.5 H3'.5
517 7.724 3.835 1 T 1.342e+04 0.00e+00 a 0 H6.8 H4'.8
518 3.836 7.723 1 T 2.491e+04 0.00e+00 a 0 H4'.8 H6.8
519 7.724 3.796 1 T 3.160e+04 0.00e+00 a 0 H6.8 H2'.6
520 3.796 7.724 1 T 3.024e+04 0.00e+00 a 0 H2'.6 H6.8
521 7.724 3.633 1 T 1.493e+04 0.00e+00 a 0 H6.8 H5'.8
522 3.631 7.725 1 T 2.764e+04 0.00e+00 a 0 H5'.8 H6.8
523 5.992 3.634 1 T 6.977e+03 0.00e+00 a 0 H1'.8 H5'.8
524 3.630 5.993 1 T 1.965e+04 0.00e+00 a 0 H5'.8 H1'.8
525 4.120 3.632 1 T 1.896e+04 0.00e+00 a 0 H2'.8 H5'.8
527 3.630 4.125 1 T 3.821e+04 0.00e+00 a 0 H5'.8 H2'.8
528 4.215 3.632 1 T 5.992e+03 0.00e+00 a 0 H5".9 H5'.8
529 3.631 4.222 1 T 1.328e+04 0.00e+00 a 0 H5'.8 H5".9
530 7.722 4.049 1 T 2.213e+05 0.00e+00 a 0 H6.8 H5".7
532 4.049 7.725 1 T 2.538e+05 0.00e+00 a 0 H5".7 H6.8
533 7.724 4.125 1 T 2.034e+05 0.00e+00 a 0 H6.8 H2'.8
535 4.125 7.725 1 T 2.315e+05 0.00e+00 a 0 H2'.8 H6.8
536 7.724 4.262 1 T 1.015e+04 0.00e+00 a 0 H6.8 H5'.7
537 4.262 7.724 1 T 2.167e+04 0.00e+00 a 0 H5'.7 H6.8
538 4.195 7.699 1 T 2.157e+05 0.00e+00 a 0 H3'.14 H6.14
539 4.220 3.835 1 T 6.561e+04 0.00e+00 a 0 H5".9 H4'.8
540 3.834 4.223 1 T 5.558e+04 0.00e+00 a 0 H4'.8 H5".9
541 3.833 4.445 1 T 1.957e+05 0.00e+00 a 0 H4'.8 H5'.9
542 4.448 3.835 1 T 2.159e+05 0.00e+00 a 0 H5'.9 H4'.8
543 4.444 4.223 1 T 5.790e+05 0.00e+00 a 0 H5'.9 H5".9
544 4.220 4.445 1 T 7.353e+05 0.00e+00 a 0 H5".9 H5'.9
546 4.584 4.237 1 T 2.919e+05 0.00e+00 a 0 H4'.2 H5".2
548 5.871 4.557 1 T 9.417e+04 0.00e+00 a 0 H1'.12 H2'.12
554 7.707 4.638 1 T 3.464e+04 0.00e+00 a 0 H6.13 H3'.12
555 4.638 7.707 1 T 2.891e+04 0.00e+00 a 0 H3'.12 H6.13
556 4.638 4.638 1 T 7.884e+05 0.00e+00 a 0 H3'.12 H3'.12
559 7.808 4.638 1 T 3.681e+04 0.00e+00 a 0 H8.12 H3'.12
560 4.638 7.809 1 T 1.033e+05 0.00e+00 a 0 H3'.12 H8.12
562 4.442 5.586 1 T 5.419e+04 0.00e+00 a 0 H4'.11 H1'.11
563 4.453 4.453 1 T 3.311e+06 0.00e+00 a 0 H2'.10 H2'.10
564 4.442 4.442 1 T 3.161e+06 0.00e+00 a 0 H4'.11 H4'.11
565 5.586 4.442 1 T 3.088e+04 0.00e+00 a 0 H1'.11 H4'.11
566 4.607 5.586 1 T 2.675e+04 0.00e+00 a 0 H3'.11 H1'.11
567 5.918 4.948 1 T 8.128e+03 0.00e+00 a 0 H1'.2 H2'.1
568 5.990 4.511 1 T 1.568e+04 0.00e+00 a 0 H1'.8 H3'.8
569 4.511 5.991 1 T 3.414e+04 0.00e+00 a 0 H3'.8 H1'.8
570 4.166 5.872 1 T 1.259e+04 0.00e+00 a 0 H5".12 H1'.12
571 5.867 4.168 1 T 3.255e+03 0.00e+00 a 0 H1'.12 H5".12
572 5.992 4.222 1 T 9.874e+03 0.00e+00 a 0 H1'.9 H5".9
573 4.212 5.996 1 T 2.781e+04 0.00e+00 a 0 H5".9 H1'.9
574 3.971 4.645 1 T 8.150e+04 0.00e+00 a 0 H5".1 H3'.1
575 5.347 4.688 1 T 1.107e+04 0.00e+00 a 0 H5.3 H3'.2
576 4.682 5.349 1 T 1.568e+04 0.00e+00 a 0 H3'.2 H5.3
577 4.580 5.350 1 T 3.826e+04 0.00e+00 a 0 H2'.2 H5.3
578 5.343 4.570 1 T 2.426e+04 0.00e+00 a 0 H5.3 H2'.2
579 5.868 4.529 1 T 2.030e+04 0.00e+00 a 0 H1'.12 H5'.12
580 5.860 4.638 1 T 1.309e+04 0.00e+00 a 0 H1'.12 H3'.12
581 4.638 5.871 1 T 2.966e+04 0.00e+00 a 0 H3'.12 H1'.12
582 4.235 4.948 1 T 1.896e+04 0.00e+00 a 0 H5".2 H2'.1
583 4.534 4.299 1 T 2.998e+05 0.00e+00 a 0 H5".10 H3'.10
584 4.299 4.535 1 T 3.222e+05 0.00e+00 a 0 H3'.10 H5".10
585 4.054 4.509 1 T 9.969e+05 0.00e+00 a 0 H5".7 H4'.7
586 4.509 4.053 1 T 6.660e+05 0.00e+00 a 0 H4'.7 H5".7
587 4.680 4.049 1 T 6.636e+04 0.00e+00 a 0 H2'.7 H5".7
588 4.049 4.685 1 T 1.123e+05 0.00e+00 a 0 H5".7 H2'.7
589 4.240 4.686 1 T 4.259e+04 0.00e+00 a 0 H5".2 H3'.2
590 4.688 4.240 1 T 2.359e+04 0.00e+00 a 0 H3'.2 H5".2
591 4.065 4.646 1 T 8.055e+04 0.00e+00 a 0 H5'.1 H3'.1
592 4.506 4.384 1 T 2.270e+05 0.00e+00 a 0 H4'.7 H3'.7
593 4.382 4.497 1 T 1.431e+05 0.00e+00 a 0 H3'.7 H4'.7
595 4.259 4.062 1 T 4.578e+05 0.00e+00 a 0 H5'.7 H5".7
596 4.061 4.264 1 T 4.702e+05 0.00e+00 a 0 H5".7 H5'.7
597 4.128 3.835 1 T 3.411e+04 0.00e+00 a 0 H2'.8 H4'.8
598 3.832 4.124 1 T 3.958e+04 0.00e+00 a 0 H4'.8 H2'.8
599 4.074 4.431 1 T 4.152e+05 0.00e+00 a 0 H5".13 H5'.13
600 5.518 4.429 1 T 2.154e+04 0.00e+00 a 0 H1'.13 H5'.13
601 4.074 4.075 1 T 1.587e+06 0.00e+00 a 0 H5".13 H5".13
602 7.708 4.075 1 T 2.278e+04 0.00e+00 a 0 H6.13 H5".13
604 4.045 7.699 1 T 9.332e+04 0.00e+00 a 0 H2'.14 H6.14
605 4.075 7.708 1 T 7.940e+04 0.00e+00 a 0 H5".13 H6.13
606 7.699 4.045 1 T 1.808e+05 0.00e+00 a 0 H6.14 H2'.14
608 4.240 4.240 1 T 4.768e+05 0.00e+00 a 0 H5".2 H5".2
612 7.644 4.599 1 T 1.972e+04 0.00e+00 a 0 H8.2 H4'.2
614 4.599 7.639 1 T 5.757e+04 0.00e+00 a 0 H4'.2 H8.2
615 4.429 7.711 1 T 1.170e+05 0.00e+00 a 0 H5'.13 H6.13
616 4.429 5.515 1 T 6.680e+04 0.00e+00 a 0 H5'.13 H1'.13
617 4.429 4.429 1 T 2.411e+06 0.00e+00 a 0 H5'.13 H5'.13
618 4.430 4.074 1 T 2.638e+05 0.00e+00 a 0 H5'.13 H5".13
619 4.555 7.712 1 T 1.808e+05 0.00e+00 a 0 H2'.12 H6.13
621 7.712 4.558 1 T 2.124e+05 0.00e+00 a 0 H6.13 H2'.12
622 5.309 4.559 1 T 2.450e+04 0.00e+00 a 0 H5.13 H2'.12
623 4.558 5.307 1 T 3.543e+04 0.00e+00 a 0 H2'.12 H5.13
624 4.558 4.558 1 T 2.655e+06 0.00e+00 a 0 H2'.12 H2'.12
627 4.557 5.871 1 T 1.396e+05 0.00e+00 a 0 H2'.12 H1'.12
629 4.530 4.530 1 T 1.840e+06 0.00e+00 a 0 H5'.12 H5'.12
630 4.529 4.166 1 T 3.770e+05 0.00e+00 a 0 H5'.12 H5".12
631 4.166 4.530 1 T 2.641e+05 0.00e+00 a 0 H5".12 H5'.12
632 4.474 5.560 1 T 6.585e+04 0.00e+00 a 0 H4'.3 H1'.3
633 4.047 5.555 1 T 2.015e+04 0.00e+00 a 0 H2'.14 H5.14
634 5.556 4.036 1 T 5.493e+03 0.00e+00 a 0 H5.14 H2'.14
635 4.626 5.307 1 T 2.400e+04 0.00e+00 a 0 H3'.12 H5.13
636 5.303 4.638 1 T 1.317e+04 0.00e+00 a 0 H5.13 H3'.12
637 4.457 5.307 1 T 2.159e+04 0.00e+00 a 0 H3'.13 H5.13
638 5.311 4.459 1 T 4.089e+03 0.00e+00 a 0 H5.13 H3'.13
639 4.281 5.307 1 T 7.139e+03 0.00e+00 a 0 H2'.13 H5.13
640 5.315 4.279 1 T 1.532e+03 0.00e+00 a 0 H5.13 H2'.13
641 4.164 5.306 1 T 5.148e+03 0.00e+00 a 0 H5".12 H5.13
642 4.086 5.307 1 T 6.484e+03 0.00e+00 a 0 H5".13 H5.13
643 4.052 5.237 1 T 8.401e+03 0.00e+00 a 0 H5".5 H5.5
644 4.945 4.238 1 T 5.983e+03 0.00e+00 a 0 H2'.1 H5".2
645 4.066 4.947 1 T 1.508e+04 0.00e+00 a 0 H5'.1 H2'.1
646 4.066 4.066 1 T 1.929e+06 0.00e+00 a 0 H5'.1 H5'.1
647 8.082 4.068 1 T 2.691e+04 0.00e+00 a 0 H8.1 H5'.1
648 7.722 4.688 1 T 5.368e+04 0.00e+00 a 0 H6.8 H2'.7
649 4.688 7.722 1 T 1.567e+04 0.00e+00 a 0 H2'.7 H6.8
652 5.905 3.793 1 T 3.552e+03 0.00e+00 a 0 H5.7 H2'.6
653 4.064 5.373 1 T 1.815e+04 0.00e+00 a 0 H5".5 H1'.5
654 4.649 5.373 1 T 1.870e+04 0.00e+00 a 0 H2'.4 H1'.5
655 5.367 4.650 1 T 1.327e+04 0.00e+00 a 0 H1'.5 H2'.4
656 4.077 5.514 1 T 1.678e+04 0.00e+00 a 0 H5".13 H1'.13
657 4.552 5.515 1 T 2.804e+04 0.00e+00 a 0 H2'.12 H1'.13
658 5.515 4.558 1 T 3.179e+04 0.00e+00 a 0 H1'.13 H2'.12
659 5.669 4.301 1 T 5.222e+03 0.00e+00 a 0 H3'.9 H3'.10
660 4.086 5.586 1 T 9.996e+03 0.00e+00 a 0 H5".11 H1'.11
661 5.677 4.106 1 T 2.850e+03 0.00e+00 a 0 H1'.6 H5".6
662 4.106 4.107 1 T 5.601e+05 0.00e+00 a 0 H5".6 H5".6
663 5.886 4.104 1 T 5.936e+03 0.00e+00 a 0 H5.7 H5".6
664 4.096 5.886 1 T 1.377e+04 0.00e+00 a 0 H5".6 H5.7
665 4.105 5.677 1 T 2.831e+04 0.00e+00 a 0 H5".6 H1'.6
668 5.806 4.046 1 T 5.850e+04 0.00e+00 a 0 H1'.1 H5'.1
669 3.638 6.140 1 T 1.021e+04 0.00e+00 a 0 H5'.8 H5.8
670 6.131 3.634 1 T 2.282e+03 0.00e+00 a 0 H5.8 H5'.8
671 4.047 4.192 1 T 5.034e+05 0.00e+00 a 0 H2'.14 H3'.14
672 4.189 4.044 1 T 3.866e+05 0.00e+00 a 0 H3'.14 H2'.14
673 4.551 4.087 1 T 5.277e+05 0.00e+00 a 0 H5'.11 H5".11
674 4.085 4.539 1 T 3.790e+05 0.00e+00 a 0 H5".11 H5'.11
675 4.540 4.540 1 T 1.541e+06 0.00e+00 a 0 H5'.11 H5'.11
676 4.435 4.085 1 T 3.805e+05 0.00e+00 a 0 H4'.11 H5".11
677 4.237 4.595 1 T 3.204e+05 0.00e+00 a 0 H5".2 H4'.2
679 4.605 4.605 1 T 1.166e+06 0.00e+00 a 0 H3'.3 H3'.3
680 4.381 4.382 1 T 1.467e+06 0.00e+00 a 0 H4'.6 H4'.6
681 4.474 4.474 1 T 1.302e+06 0.00e+00 a 0 H4'.3 H4'.3
682 5.560 4.475 1 T 2.390e+04 0.00e+00 a 0 H1'.3 H4'.3
683 5.348 4.606 1 T 6.693e+03 0.00e+00 a 0 H5.3 H3'.3
684 4.605 5.348 1 T 2.907e+04 0.00e+00 a 0 H3'.3 H5.3
685 5.180 4.608 1 T 6.082e+03 0.00e+00 a 0 H5.11 H3'.11
686 4.600 5.179 1 T 1.489e+04 0.00e+00 a 0 H3'.11 H5.11
687 4.457 5.237 1 T 7.905e+03 0.00e+00 a 0 H4'.5 H5.5
688 4.392 5.237 1 T 7.294e+03 0.00e+00 a 0 H2'.5 H5.5
689 4.946 4.595 1 T 7.002e+03 0.00e+00 a 0 H2'.1 H4'.2
691 4.427 7.638 1 T 1.041e+04 0.00e+00 a 0 H4'.1 H8.2
692 8.082 4.480 1 T 3.706e+03 0.00e+00 a 0 H8.4 H4'.3
693 4.682 4.682 1 T 6.178e+05 0.00e+00 a 0 H5'.3 H5'.3
694 6.002 6.002 1 T 2.117e+06 0.00e+00 a 0 H1'.4 H1'.4
695 7.739 4.563 1 T 1.981e+05 0.00e+00 a 0 H6.3 H2'.3
696 4.563 7.740 1 T 1.689e+05 0.00e+00 a 0 H2'.3 H6.3
697 7.740 4.572 1 T 2.210e+05 0.00e+00 a 0 H6.3 H2'.2
698 4.074 7.639 1 T 8.207e+03 0.00e+00 a 0 H5'.1 H8.2
699 3.971 7.639 1 T 8.208e+03 0.00e+00 a 0 H5".1 H8.2
700 7.645 3.970 1 T 1.461e+03 0.00e+00 a 0 H8.2 H5".1
701 7.639 4.074 1 T 3.129e+03 0.00e+00 a 0 H8.2 H5'.1
702 7.639 4.427 1 T 5.422e+03 0.00e+00 a 0 H8.2 H4'.1
703 5.579 7.450 1 T 3.655e+03 0.00e+00 a 0 H1'.11 H2.4
704 7.451 5.584 1 T 1.717e+03 0.00e+00 a 0 H2.4 H1'.11
705 4.647 7.451 1 T 5.193e+03 0.00e+00 a 0 H2'.4 H2.4
707 4.393 7.451 1 T 5.016e+03 0.00e+00 a 0 H2'.5 H2.4
708 4.174 7.449 1 T 2.433e+03 0.00e+00 a 0 H3'.5 H2.4
709 7.451 4.649 1 T 4.886e+03 0.00e+00 a 0 H2.4 H2'.4
710 7.447 4.390 1 T 2.544e+03 0.00e+00 a 0 H2.4 H2'.5
711 7.451 4.173 1 T 1.706e+03 0.00e+00 a 0 H2.4 H3'.5
714 4.645 4.065 1 T 2.706e+04 0.00e+00 a 0 H3'.1 H5'.1
715 3.632 4.444 1 T 4.990e+04 0.00e+00 a 0 H5'.8 H5'.9
716 4.442 4.442 1 T 3.161e+06 0.00e+00 a 0 H4'.9 H4'.9
718 7.638 4.571 1 T 3.866e+04 0.00e+00 a 0 H8.2 H2'.2
719 4.571 7.638 1 T 4.705e+04 0.00e+00 a 0 H2'.2 H8.2
720 7.809 5.582 1 T 3.524e+04 0.00e+00 a 0 H8.12 H1'.11
721 5.582 7.809 1 T 1.363e+04 0.00e+00 a 0 H1'.11 H8.12
722 7.825 4.540 1 T 2.273e+04 0.00e+00 a 0 H6.11 H5'.11
723 4.540 7.825 1 T 4.538e+04 0.00e+00 a 0 H5'.11 H6.11
724 4.536 8.086 1 T 1.585e+05 0.00e+00 a 0 H4'.4 H8.4
725 4.670 8.085 1 T 7.899e+04 0.00e+00 a 0 H3'.4 H8.4
726 4.688 4.688 1 T 6.591e+05 0.00e+00 a 0 H3'.2 H3'.2
727 7.641 4.688 1 T 3.968e+04 0.00e+00 a 0 H8.2 H3'.2
730 5.933 4.686 1 T 1.498e+04 0.00e+00 a 0 H1'.2 H3'.2
731 4.687 5.931 1 T 1.597e+04 0.00e+00 a 0 H3'.2 H1'.2
732 8.080 4.644 1 T 4.429e+04 0.00e+00 a 0 H8.1 H3'.1
733 4.644 8.081 1 T 9.177e+04 0.00e+00 a 0 H3'.1 H8.1
737 4.414 4.414 1 T 1.825e+06 0.00e+00 a 0 H4'.1 H4'.1
738 4.167 4.561 1 T 3.876e+05 0.00e+00 a 0 H5".12 H2'.12
739 4.563 4.167 1 T 4.217e+05 0.00e+00 a 0 H2'.12 H5".12
741 3.797 4.686 1 T 1.629e+04 0.00e+00 a 0 H2'.6 H2'.7
742 4.673 3.795 1 T 1.343e+04 0.00e+00 a 0 H2'.7 H2'.6
744 4.052 3.632 1 T 1.428e+04 0.00e+00 a 0 H5".7 H5'.8
745 3.635 4.049 1 T 4.577e+04 0.00e+00 a 0 H5'.8 H5".7
;
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 . . 20161.290 Hz . . . 4.773 . . 30386 2
2 . . H 1 H . . 19970.045 Hz . . . 4.773 . . 30386 2
stop_
save_