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 30386
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D WaterGate [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
1 13.734 13.736 1 T -1.861e+07 0.00e+00 a 0 H3.11 H3.11
2 13.481 13.482 1 T -1.828e+07 0.00e+00 a 0 H1.10 H1.10
3 13.371 13.373 1 T -1.848e+07 0.00e+00 a 0 H1.2 H1.2
4 12.635 12.637 1 T -1.964e+07 0.00e+00 a 0 H1.12 H1.12
5 9.930 9.930 1 T -4.038e+06 0.00e+00 a 0 H1.9 H1.9
6 12.634 13.373 1 T -3.520e+05 0.00e+00 a 0 H1.12 H1.2
7 13.369 12.637 1 T -4.075e+05 0.00e+00 a 0 H1.2 H1.12
10 13.735 12.635 1 T -9.748e+04 0.00e+00 a 0 H3.11 H1.12
11 12.645 13.739 1 T -7.939e+04 0.00e+00 a 0 H1.12 H3.11
12 8.749 8.745 1 T -2.334e+05 0.00e+00 a 0 H21.10 H21.10
14 9.923 13.482 1 T -3.212e+04 0.00e+00 a 0 H1.9 H1.10
15 7.452 13.736 1 T -1.504e+06 0.00e+00 a 0 H2.4 H3.11
16 6.456 13.736 1 T -5.818e+05 0.00e+00 a 0 H62.4 H3.11
17 8.749 13.482 1 T -1.497e+06 0.00e+00 a 0 H21.10 H1.10
18 8.557 13.482 1 T -1.986e+06 0.00e+00 a 0 H41.5 H1.10
19 7.047 13.482 1 T -9.844e+05 0.00e+00 a 0 H42.5 H1.10
20 6.496 13.482 1 T -1.597e+06 0.00e+00 a 0 H22.10 H1.10
25 8.640 8.643 1 T -9.904e+06 0.00e+00 a 0 H41.3 H41.3
26 8.598 8.600 1 T -1.282e+07 0.00e+00 a 0 H41.13 H41.13
27 8.555 8.557 1 T -1.328e+07 0.00e+00 a 0 H41.5 H41.5
28 8.457 8.458 1 T -3.231e+06 0.00e+00 a 0 H41.14 H41.14
29 8.351 8.354 1 T -2.778e+07 0.00e+00 a 0 H8.10 H8.10
31 8.044 8.046 1 T -2.089e+07 0.00e+00 a 0 H6.7 H6.7
32 7.897 7.898 1 T -3.059e+07 0.00e+00 a 0 H8.9 H8.9
33 7.808 7.808 1 T -4.423e+07 0.00e+00 a 0 H8.12 H8.12
34 7.771 7.772 1 T -1.825e+07 0.00e+00 a 0 H6.6 H6.6
37 7.641 7.643 1 T -3.244e+07 0.00e+00 a 0 H8.2 H8.2
38 7.019 8.457 1 T -3.961e+06 0.00e+00 a 0 H42.14 H41.14
39 7.045 8.557 1 T -1.001e+07 0.00e+00 a 0 H42.5 H41.5
40 6.957 8.600 1 T -1.181e+07 0.00e+00 a 0 H42.13 H41.13
41 6.936 8.643 1 T -9.627e+06 0.00e+00 a 0 H42.3 H41.3
42 8.553 7.051 1 T -1.046e+07 0.00e+00 a 0 H41.5 H42.5
43 8.457 7.022 1 T -4.730e+06 0.00e+00 a 0 H41.14 H42.14
44 8.596 6.962 1 T -1.149e+07 0.00e+00 a 0 H41.13 H42.13
46 8.637 6.938 1 T -1.112e+07 0.00e+00 a 0 H41.3 H42.3
49 7.048 7.051 1 T -1.150e+07 0.00e+00 a 0 H42.5 H42.5
50 7.021 7.022 1 T -6.231e+06 0.00e+00 a 0 H42.14 H42.14
51 6.960 6.961 1 T -1.149e+07 0.00e+00 a 0 H42.13 H42.13
52 6.937 6.938 1 T -1.162e+07 0.00e+00 a 0 H42.3 H42.3
57 5.320 5.359 1 T -1.425e+07 0.00e+00 a 0 H5.3 H5.3
61 8.353 5.672 1 T -6.149e+05 0.00e+00 a 0 H8.10 H3'.9
62 5.331 8.643 1 T -1.029e+06 0.00e+00 a 0 H5.3 H41.3
63 5.280 8.600 1 T -1.014e+06 0.00e+00 a 0 H5.13 H41.13
64 5.198 8.556 1 T -9.165e+05 0.00e+00 a 0 H5.5 H41.5
65 8.635 5.359 1 T -1.998e+06 0.00e+00 a 0 H41.3 H5.3
66 8.591 5.313 1 T -1.756e+06 0.00e+00 a 0 H41.13 H5.13
67 8.548 5.247 1 T -9.604e+05 0.00e+00 a 0 H41.5 H5.5
68 5.272 5.313 1 T -1.635e+07 0.00e+00 a 0 H5.13 H5.13
71 5.193 5.247 1 T -1.279e+07 0.00e+00 a 0 H5.5 H5.5
72 8.214 8.208 1 T -2.653e+05 0.00e+00 a 0 H61.4 H61.4
73 7.452 7.453 1 T -3.865e+07 0.00e+00 a 0 H2.4 H2.4
74 7.301 7.304 1 T -1.722e+07 0.00e+00 a 0 H6.5 H6.5
81 6.124 6.130 1 T -3.767e+07 0.00e+00 a 0 H1'.7 H1'.7
82 6.141 6.142 1 T -2.693e+07 0.00e+00 a 0 H5.8 H5.8
87 8.259 13.736 1 T -4.909e+05 0.00e+00 a 0 H61.4 H3.11
88 12.635 8.643 1 T -1.600e+06 0.00e+00 a 0 H1.12 H41.3
89 13.371 8.600 1 T -1.821e+06 0.00e+00 a 0 H1.2 H41.13
90 13.481 8.556 1 T -1.739e+06 0.00e+00 a 0 H1.10 H41.5
91 13.734 7.453 1 T -3.801e+06 0.00e+00 a 0 H3.11 H2.4
92 13.481 7.051 1 T -9.614e+05 0.00e+00 a 0 H1.10 H42.5
93 13.371 6.962 1 T -1.218e+06 0.00e+00 a 0 H1.2 H42.13
94 12.635 6.938 1 T -1.240e+06 0.00e+00 a 0 H1.12 H42.3
95 13.480 5.673 1 T -6.531e+05 0.00e+00 a 0 H1.10 H1'.6
97 5.681 9.930 1 T -3.759e+05 0.00e+00 a 0 H1'.6 H1.9
98 6.498 6.496 1 T -2.358e+05 0.00e+00 a 0 H22.10 H22.10
99 13.476 6.496 1 T -1.005e+05 0.00e+00 a 0 H1.10 H22.10
103 7.453 12.637 1 T -2.641e+05 0.00e+00 a 0 H2.4 H1.12
110 12.635 7.454 1 T -1.691e+05 0.00e+00 a 0 H1.12 H2.4
111 12.642 7.731 1 T -5.276e+04 0.00e+00 a 0 H1.12 H6.3
112 13.731 7.808 1 T -1.706e+05 0.00e+00 a 0 H3.11 H6.11
113 8.575 13.737 1 T -1.875e+05 0.00e+00 a 0 H41.5 H3.11
114 7.806 13.735 1 T -1.647e+05 0.00e+00 a 0 H6.11 H3.11
115 7.031 13.735 1 T -1.435e+05 0.00e+00 a 0 H42.5 H3.11
116 13.730 8.555 1 T -1.482e+05 0.00e+00 a 0 H3.11 H41.5
117 13.738 7.049 1 T -1.195e+05 0.00e+00 a 0 H3.11 H42.5
119 13.730 6.935 1 T -7.512e+04 0.00e+00 a 0 H3.11 H42.3
120 5.888 13.740 1 T -9.271e+04 0.00e+00 a 0 H1'.12 H3.11
121 5.600 13.735 1 T -1.068e+05 0.00e+00 a 0 H1'.11 H3.11
122 5.132 13.735 1 T -9.703e+04 0.00e+00 a 0 H5.11 H3.11
123 4.747 13.735 1 T -9.036e+04 0.00e+00 a 0 H2'.11 H3.11
124 13.734 5.870 1 T -1.308e+05 0.00e+00 a 0 H3.11 H1'.12
125 13.740 5.581 1 T -2.199e+05 0.00e+00 a 0 H3.11 H1'.11
126 5.593 5.584 1 T -3.627e+07 0.00e+00 a 0 H1'.11 H1'.11
131 13.733 5.376 1 T -1.748e+05 0.00e+00 a 0 H3.11 H1'.5
132 13.725 5.190 1 T -1.168e+05 0.00e+00 a 0 H3.11 H5.11
133 5.355 13.734 1 T -5.239e+04 0.00e+00 a 0 H1'.5 H3.11
134 5.126 5.190 1 T -8.403e+06 0.00e+00 a 0 H5.11 H5.11
138 7.778 13.481 1 T -1.004e+05 0.00e+00 a 0 H6.6 H1.10
139 7.453 13.483 1 T -1.142e+05 0.00e+00 a 0 H2.4 H1.10
142 5.674 13.482 1 T -5.228e+05 0.00e+00 a 0 H1'.6 H1.10
143 5.175 13.482 1 T -8.907e+04 0.00e+00 a 0 H5.5 H1.10
144 4.492 13.483 1 T -9.473e+04 0.00e+00 a 0 H1'.10 H1.10
147 13.484 8.749 1 T -8.834e+04 0.00e+00 a 0 H1.10 H21.10
148 13.480 7.771 1 T -3.823e+04 0.00e+00 a 0 H1.10 H6.6
154 13.476 7.453 1 T -1.838e+05 0.00e+00 a 0 H1.10 H2.4
155 13.459 7.300 1 T -2.535e+04 0.00e+00 a 0 H1.10 H6.5
158 13.731 8.642 1 T -7.699e+04 0.00e+00 a 0 H3.11 H41.3
160 6.304 7.165 1 T -2.466e+06 0.00e+00 a 0 H42.8 H41.8
161 6.136 7.165 1 T -1.384e+06 0.00e+00 a 0 H5.8 H41.8
162 7.163 6.306 1 T -2.103e+06 0.00e+00 a 0 H41.8 H42.8
163 7.163 6.142 1 T -2.924e+06 0.00e+00 a 0 H41.8 H5.8
164 7.163 7.165 1 T -5.085e+06 0.00e+00 a 0 H41.8 H41.8
165 6.304 6.307 1 T -1.125e+06 0.00e+00 a 0 H42.8 H42.8
166 6.692 9.931 1 T -2.062e+05 0.00e+00 a 0 HO2'.6 H1.9
167 4.513 9.931 1 T -1.441e+05 0.00e+00 a 0 H1'.10 H1.9
168 3.793 9.930 1 T -2.179e+05 0.00e+00 a 0 H2'.6 H1.9
169 9.929 5.673 1 T -7.541e+05 0.00e+00 a 0 H1.9 H1'.6
172 9.935 6.141 1 T -6.974e+04 0.00e+00 a 0 H1.9 H5.8
173 9.929 6.697 1 T -1.823e+05 0.00e+00 a 0 H1.9 HO2'.6
174 9.931 7.719 1 T -1.149e+05 0.00e+00 a 0 H1.9 H6.8
176 9.924 8.352 1 T -1.049e+05 0.00e+00 a 0 H1.9 H8.10
178 6.693 6.697 1 T -2.915e+06 0.00e+00 a 0 HO2'.6 HO2'.6
179 6.136 6.697 1 T -2.080e+05 0.00e+00 a 0 H5.8 HO2'.6
180 6.696 6.143 1 T -1.817e+05 0.00e+00 a 0 HO2'.6 H5.8
181 5.680 6.697 1 T -1.391e+06 0.00e+00 a 0 H1'.6 HO2'.6
182 6.692 5.673 1 T -3.819e+06 0.00e+00 a 0 HO2'.6 H1'.6
189 4.748 6.697 1 T -2.708e+05 0.00e+00 a 0 H2'.7 HO2'.6
190 6.497 8.748 1 T -2.186e+05 0.00e+00 a 0 H22.10 H21.10
191 8.744 6.495 1 T -2.247e+05 0.00e+00 a 0 H21.10 H22.10
192 3.790 6.697 1 T -1.705e+06 0.00e+00 a 0 H2'.6 HO2'.6
193 8.047 6.697 1 T -2.628e+05 0.00e+00 a 0 H6.7 HO2'.6
194 6.694 8.046 1 T -5.361e+05 0.00e+00 a 0 HO2'.6 H6.7
196 6.693 3.798 1 T -3.274e+06 0.00e+00 a 0 HO2'.6 H2'.6
197 3.795 3.798 1 T -2.718e+07 0.00e+00 a 0 H2'.6 H2'.6
198 3.793 7.165 1 T -3.326e+05 0.00e+00 a 0 H2'.6 H41.8
199 7.162 3.797 1 T -9.327e+05 0.00e+00 a 0 H41.8 H2'.6
212 5.937 5.936 1 T -4.332e+07 0.00e+00 a 0 H1'.2 H1'.2
214 6.139 6.306 1 T -3.148e+05 0.00e+00 a 0 H5.8 H42.8
215 6.332 6.142 1 T -7.528e+05 0.00e+00 a 0 H42.8 H5.8
221 13.477 5.582 1 T -2.753e+05 0.00e+00 a 0 H1.10 H1'.11
224 5.351 5.377 1 T -3.366e+07 0.00e+00 a 0 H1'.5 H1'.5
235 9.934 4.458 1 T -3.376e+04 0.00e+00 a 0 H1.9 H1'.10
236 5.377 13.482 1 T -2.758e+04 0.00e+00 a 0 H1'.5 H1.10
240 13.482 5.377 1 T -1.055e+05 0.00e+00 a 0 H1.10 H1'.5
243 8.547 7.304 1 T -9.626e+04 0.00e+00 a 0 H41.5 H6.5
250 5.826 5.822 1 T -4.014e+07 0.00e+00 a 0 H1'.1 H1'.1
258 5.553 7.022 1 T -1.123e+06 0.00e+00 a 0 H5.14 H42.14
260 7.696 7.019 1 T -2.112e+05 0.00e+00 a 0 H6.14 H42.14
261 7.019 7.696 1 T -6.907e+05 0.00e+00 a 0 H42.14 H6.14
264 7.725 6.938 1 T -2.712e+05 0.00e+00 a 0 H6.3 H42.3
265 6.932 7.728 1 T -4.284e+05 0.00e+00 a 0 H42.3 H6.3
267 7.741 7.163 1 T -2.882e+05 0.00e+00 a 0 H6.8 H41.8
274 8.456 5.551 1 T -2.064e+06 0.00e+00 a 0 H41.14 H5.14
277 7.018 5.552 1 T -3.446e+06 0.00e+00 a 0 H42.14 H5.14
278 5.196 7.051 1 T -1.591e+06 0.00e+00 a 0 H5.5 H42.5
279 7.051 5.247 1 T -1.659e+06 0.00e+00 a 0 H42.5 H5.5
280 5.277 6.961 1 T -1.424e+06 0.00e+00 a 0 H5.13 H42.13
281 6.965 5.313 1 T -2.303e+06 0.00e+00 a 0 H42.13 H5.13
282 5.328 6.937 1 T -1.590e+06 0.00e+00 a 0 H5.3 H42.3
283 6.938 5.359 1 T -2.759e+06 0.00e+00 a 0 H42.3 H5.3
325 3.824 3.829 1 T -1.749e+07 0.00e+00 a 0 H4'.8 H4'.8
331 4.610 7.165 1 T -5.138e+05 0.00e+00 a 0 H3'.6 H41.8
334 5.782 5.777 1 T -4.235e+07 0.00e+00 a 0 H1'.14 H1'.14
340 5.513 5.513 1 T -4.019e+07 0.00e+00 a 0 H1'.13 H1'.13
342 2.724 2.723 1 T -7.807e+06 0.00e+00 a 0 H5".8 H5".8
352 9.929 2.724 1 T -4.450e+04 0.00e+00 a 0 H1.9 H5".8
379 5.553 8.458 1 T -6.184e+05 0.00e+00 a 0 H5.14 H41.14
386 7.167 7.720 1 T -4.718e+05 0.00e+00 a 0 H41.8 H6.8
388 7.318 7.052 1 T -1.474e+05 0.00e+00 a 0 H6.5 H42.5
390 7.052 7.303 1 T -3.761e+05 0.00e+00 a 0 H42.5 H6.5
395 12.632 5.513 1 T -2.803e+05 0.00e+00 a 0 H1.12 H1'.13
397 12.624 5.358 1 T -2.129e+05 0.00e+00 a 0 H1.12 H5.3
398 13.375 5.313 1 T -1.954e+05 0.00e+00 a 0 H1.2 H5.13
399 5.286 13.372 1 T -1.283e+05 0.00e+00 a 0 H5.13 H1.2
400 5.553 13.373 1 T -2.874e+05 0.00e+00 a 0 H5.14 H1.2
401 13.371 5.558 1 T -3.300e+05 0.00e+00 a 0 H1.2 H5.14
403 13.371 5.777 1 T -2.454e+05 0.00e+00 a 0 H1.2 H1'.14
404 5.786 13.372 1 T -1.751e+05 0.00e+00 a 0 H1'.14 H1.2
405 13.371 6.939 1 T -2.274e+05 0.00e+00 a 0 H1.2 H42.3
407 13.375 7.021 1 T -1.068e+05 0.00e+00 a 0 H1.2 H42.14
409 13.370 7.690 1 T -9.860e+04 0.00e+00 a 0 H1.2 H6.13
410 7.691 13.371 1 T -3.270e+05 0.00e+00 a 0 H6.13 H1.2
411 13.372 8.457 1 T -9.359e+04 0.00e+00 a 0 H1.2 H41.14
414 13.373 8.644 1 T -1.671e+05 0.00e+00 a 0 H1.2 H41.3
416 12.635 8.601 1 T -2.038e+05 0.00e+00 a 0 H1.12 H41.13
419 12.635 6.961 1 T -1.328e+05 0.00e+00 a 0 H1.12 H42.13
421 13.476 5.247 1 T -1.293e+05 0.00e+00 a 0 H1.10 H5.5
423 13.383 5.511 1 T -9.673e+04 0.00e+00 a 0 H1.2 H1'.13
425 12.630 5.560 1 T -1.040e+05 0.00e+00 a 0 H1.12 H1'.3
426 12.604 5.313 1 T -8.614e+04 0.00e+00 a 0 H1.12 H5.13
429 9.927 5.987 1 T -2.067e+05 0.00e+00 a 0 H1.9 H1'.8
431 9.939 7.774 1 T -4.528e+04 0.00e+00 a 0 H1.9 H6.6
436 9.929 3.797 1 T -4.406e+05 0.00e+00 a 0 H1.9 H2'.6
442 4.782 9.926 1 T -7.877e+04 0.00e+00 a 0 H2'.7 H1.9
447 5.672 8.746 1 T -5.372e+04 0.00e+00 a 0 H1'.6 H21.10
458 4.046 6.696 1 T -1.799e+04 0.00e+00 a 0 H5".7 HO2'.6
476 7.694 7.696 1 T -3.640e+07 0.00e+00 a 0 H6.14 H6.14
477 7.724 7.724 1 T -3.013e+07 0.00e+00 a 0 H6.3 H6.3
479 7.163 7.772 1 T -4.927e+05 0.00e+00 a 0 H41.8 H6.6
481 8.091 8.093 1 T -4.419e+07 0.00e+00 a 0 H21.12 H21.12
492 8.589 7.700 1 T -2.282e+05 0.00e+00 a 0 H41.13 H6.13
493 8.627 7.729 1 T -1.645e+05 0.00e+00 a 0 H41.3 H6.3
494 7.700 7.700 1 T -3.640e+07 0.00e+00 a 0 H6.13 H6.13
495 8.459 7.695 1 T -2.138e+05 0.00e+00 a 0 H41.14 H6.14
501 7.463 6.007 1 T -2.162e+05 0.00e+00 a 0 H2.4 H1'.4
505 8.083 8.083 1 T -2.155e+07 0.00e+00 a 0 H8.4 H8.4
520 8.637 12.637 1 T -2.015e+06 0.00e+00 a 0 H41.3 H1.12
521 6.938 12.637 1 T -1.620e+06 0.00e+00 a 0 H42.3 H1.12
523 8.599 13.373 1 T -2.029e+06 0.00e+00 a 0 H41.13 H1.2
524 8.436 13.373 1 T -2.453e+05 0.00e+00 a 0 H41.14 H1.2
525 6.961 13.373 1 T -1.682e+06 0.00e+00 a 0 H42.13 H1.2
529 7.277 13.483 1 T -4.370e+04 0.00e+00 a 0 H6.5 H1.10
531 8.643 13.373 1 T -1.589e+06 0.00e+00 a 0 H41.3 H1.2
532 6.943 13.738 1 T -1.096e+05 0.00e+00 a 0 H42.3 H3.11
536 9.924 4.053 1 T -1.316e+05 0.00e+00 a 0 H1.9 H5".7
537 3.999 3.982 1 T -1.584e+07 0.00e+00 a 0 H5".1 H5".1
538 12.633 6.007 1 T -3.358e+05 0.00e+00 a 0 H1.12 H22.12
539 6.003 12.637 1 T -4.708e+05 0.00e+00 a 0 H22.12 H1.12
543 5.677 8.354 1 T -1.132e+06 0.00e+00 a 0 H3'.9 H8.10
544 7.696 5.313 1 T -2.045e+06 0.00e+00 a 0 H6.13 H5.13
545 7.813 5.190 1 T -1.797e+06 0.00e+00 a 0 H6.11 H5.11
546 5.129 7.812 1 T -3.100e+06 0.00e+00 a 0 H5.11 H6.11
547 5.331 7.729 1 T -2.652e+06 0.00e+00 a 0 H5.3 H6.3
548 5.275 7.700 1 T -2.897e+06 0.00e+00 a 0 H5.13 H6.13
549 5.550 7.694 1 T -4.567e+06 0.00e+00 a 0 H5.14 H6.14
550 5.689 7.772 1 T -3.759e+06 0.00e+00 a 0 H5.6 H6.6
551 5.589 7.809 1 T -1.148e+06 0.00e+00 a 0 H1'.11 H8.12
552 5.870 7.807 1 T -9.101e+05 0.00e+00 a 0 H1'.12 H8.12
555 6.138 7.718 1 T -3.192e+06 0.00e+00 a 0 H5.8 H6.8
556 5.992 7.898 1 T -6.143e+06 0.00e+00 a 0 H1'.9 H8.9
557 5.891 8.048 1 T -2.326e+06 0.00e+00 a 0 H5.7 H6.7
558 6.002 8.087 1 T -7.750e+05 0.00e+00 a 0 H1'.4 H8.4
559 5.822 8.095 1 T -7.675e+05 0.00e+00 a 0 H1'.1 H8.1
560 5.562 8.088 1 T -6.948e+05 0.00e+00 a 0 H1'.3 H8.4
561 6.123 8.046 1 T -6.059e+05 0.00e+00 a 0 H1'.7 H6.7
562 7.690 5.777 1 T -7.689e+05 0.00e+00 a 0 H6.14 H1'.14
563 5.777 7.695 1 T -8.027e+05 0.00e+00 a 0 H1'.14 H6.14
564 5.873 7.699 1 T -7.500e+05 0.00e+00 a 0 H1'.12 H6.13
565 7.699 5.871 1 T -4.561e+05 0.00e+00 a 0 H6.13 H1'.12
566 7.803 5.871 1 T -6.265e+05 0.00e+00 a 0 H8.12 H1'.12
567 5.937 7.643 1 T -6.518e+05 0.00e+00 a 0 H1'.2 H8.2
568 7.643 5.937 1 T -7.586e+05 0.00e+00 a 0 H8.2 H1'.2
569 7.725 5.937 1 T -5.889e+05 0.00e+00 a 0 H6.3 H1'.2
570 5.936 7.725 1 T -8.091e+05 0.00e+00 a 0 H1'.2 H6.3
571 7.718 5.989 1 T -4.808e+05 0.00e+00 a 0 H6.8 H1'.8
572 5.989 7.718 1 T -6.646e+05 0.00e+00 a 0 H1'.8 H6.8
573 7.718 6.142 1 T -2.726e+06 0.00e+00 a 0 H6.8 H5.8
574 8.043 6.127 1 T -5.605e+05 0.00e+00 a 0 H6.7 H1'.7
575 8.087 6.007 1 T -6.310e+05 0.00e+00 a 0 H8.4 H1'.4
576 8.044 5.888 1 T -3.163e+06 0.00e+00 a 0 H6.7 H5.7
577 8.094 5.822 1 T -6.199e+05 0.00e+00 a 0 H8.1 H1'.1
579 7.769 5.682 1 T -3.838e+06 0.00e+00 a 0 H6.6 H5.6
580 7.896 5.996 1 T -5.527e+06 0.00e+00 a 0 H8.9 H1'.9
582 7.640 5.822 1 T -6.650e+05 0.00e+00 a 0 H8.2 H1'.1
583 7.452 5.871 1 T -7.426e+05 0.00e+00 a 0 H2.4 H1'.12
584 7.303 6.007 1 T -3.706e+05 0.00e+00 a 0 H6.5 H1'.4
586 7.301 5.248 1 T -1.592e+06 0.00e+00 a 0 H6.5 H5.5
587 7.724 5.358 1 T -3.005e+06 0.00e+00 a 0 H6.3 H5.3
588 8.083 7.303 1 T -1.825e+05 0.00e+00 a 0 H8.4 H6.5
589 7.312 8.088 1 T -3.432e+05 0.00e+00 a 0 H6.5 H8.4
590 8.073 7.731 1 T -2.942e+05 0.00e+00 a 0 H8.4 H6.3
592 8.062 5.673 1 T -3.022e+05 0.00e+00 a 0 H6.7 H1'.6
593 8.083 5.560 1 T -6.759e+05 0.00e+00 a 0 H8.4 H1'.3
595 7.694 5.552 1 T -4.174e+06 0.00e+00 a 0 H6.14 H5.14
596 7.699 5.513 1 T -1.138e+06 0.00e+00 a 0 H6.13 H1'.13
597 7.812 7.812 1 T -3.419e+07 0.00e+00 a 0 H6.11 H6.11
598 7.809 5.583 1 T -1.207e+06 0.00e+00 a 0 H8.12 H1'.11
599 7.454 5.378 1 T -7.122e+05 0.00e+00 a 0 H2.4 H1'.5
600 7.303 5.379 1 T -3.446e+05 0.00e+00 a 0 H6.5 H1'.5
601 8.044 3.797 1 T -2.558e+05 0.00e+00 a 0 H6.7 H2'.6
602 8.093 3.984 1 T -6.190e+05 0.00e+00 a 0 H8.1 H5".1
603 7.717 2.722 1 T -2.988e+05 0.00e+00 a 0 H6.8 H5".8
604 5.983 2.722 1 T -2.014e+05 0.00e+00 a 0 H1'.8 H5".8
605 7.898 2.720 1 T -8.573e+04 0.00e+00 a 0 H8.9 H5".8
606 6.127 2.720 1 T -1.121e+05 0.00e+00 a 0 H5.8 H5".8
607 4.551 2.722 1 T -6.156e+05 0.00e+00 a 0 H3'.8 H5".8
608 4.067 2.724 1 T -2.398e+05 0.00e+00 a 0 H5".7 H5".8
609 3.819 2.722 1 T -1.607e+06 0.00e+00 a 0 H4'.8 H5".8
610 3.633 2.722 1 T -5.704e+06 0.00e+00 a 0 H5'.8 H5".8
612 2.724 3.632 1 T -5.909e+06 0.00e+00 a 0 H5".8 H5'.8
613 2.724 3.829 1 T -3.556e+06 0.00e+00 a 0 H5".8 H4'.8
614 2.721 4.043 1 T -3.177e+05 0.00e+00 a 0 H5".8 H5".7
615 2.730 5.992 1 T -2.150e+05 0.00e+00 a 0 H5".8 H1'.8
616 2.725 7.718 1 T -4.208e+05 0.00e+00 a 0 H5".8 H6.8
617 2.726 7.899 1 T -2.106e+05 0.00e+00 a 0 H5".8 H8.9
618 8.352 4.285 1 T -6.453e+05 0.00e+00 a 0 H8.10 H3'.10
619 8.080 4.183 1 T -6.655e+05 0.00e+00 a 0 H8.4 H5".4
620 8.090 4.089 1 T -5.625e+05 0.00e+00 a 0 H8.1 H5'.1
621 8.046 4.050 1 T -8.660e+05 0.00e+00 a 0 H6.7 H5".7
622 7.776 4.379 1 T -5.839e+05 0.00e+00 a 0 H6.6 H2'.5
623 7.692 4.273 1 T -2.298e+06 0.00e+00 a 0 H6.14 H2'.13
624 7.684 4.195 1 T -1.362e+06 0.00e+00 a 0 H6.14 H3'.14
625 7.772 4.163 1 T -1.714e+06 0.00e+00 a 0 H6.6 H3'.5
626 7.717 4.124 1 T -3.111e+06 0.00e+00 a 0 H6.8 H2'.8
627 7.725 4.086 1 T -1.073e+06 0.00e+00 a 0 H6.13 H5".13
628 7.713 4.045 1 T -5.022e+06 0.00e+00 a 0 H6.8 H5".7
630 7.301 4.164 1 T -1.726e+06 0.00e+00 a 0 H6.5 H3'.5
631 7.298 4.054 1 T -1.094e+06 0.00e+00 a 0 H6.5 H5".5
632 7.172 4.053 1 T -6.522e+05 0.00e+00 a 0 H41.8 H5".7
634 7.771 3.797 1 T -7.732e+05 0.00e+00 a 0 H6.6 H2'.6
635 7.741 3.797 1 T -7.898e+05 0.00e+00 a 0 H6.8 H2'.6
636 4.060 7.163 1 T -8.256e+04 0.00e+00 a 0 H5".7 H41.8
639 6.684 4.052 1 T -8.147e+05 0.00e+00 a 0 HO2'.6 H5".7
640 6.137 3.797 1 T -2.322e+06 0.00e+00 a 0 H5.8 H2'.6
641 5.986 3.829 1 T -1.226e+06 0.00e+00 a 0 H1'.8 H4'.8
642 5.680 3.797 1 T -2.817e+06 0.00e+00 a 0 H1'.6 H2'.6
643 6.135 4.050 1 T -3.229e+06 0.00e+00 a 0 H5.8 H5".7
644 5.782 4.039 1 T -2.641e+06 0.00e+00 a 0 H1'.14 H2'.14
645 5.983 4.122 1 T -1.026e+06 0.00e+00 a 0 H1'.8 H2'.8
646 5.673 4.221 1 T -1.400e+06 0.00e+00 a 0 H3'.9 H5".9
647 5.520 4.273 1 T -2.119e+06 0.00e+00 a 0 H1'.13 H2'.13
648 5.980 3.633 1 T -2.505e+05 0.00e+00 a 0 H1'.8 H5'.8
649 5.677 3.830 1 T -6.501e+05 0.00e+00 a 0 H3'.9 H4'.8
650 4.557 3.632 1 T -1.315e+06 0.00e+00 a 0 H3'.8 H5'.8
651 3.645 3.633 1 T -9.118e+06 0.00e+00 a 0 H5'.8 H5'.8
652 4.514 3.829 1 T -4.256e+06 0.00e+00 a 0 H3'.8 H4'.8
653 4.606 3.798 1 T -2.869e+06 0.00e+00 a 0 H3'.6 H2'.6
654 4.435 5.378 1 T -3.184e+06 0.00e+00 a 0 H2'.5 H1'.5
655 4.624 5.560 1 T -3.107e+06 0.00e+00 a 0 H2'.3 H1'.3
656 4.480 5.669 1 T -3.516e+06 0.00e+00 a 0 H4'.9 H3'.9
657 4.294 5.513 1 T -2.387e+06 0.00e+00 a 0 H2'.13 H1'.13
658 4.029 5.777 1 T -2.797e+06 0.00e+00 a 0 H2'.14 H1'.14
659 3.791 5.673 1 T -2.793e+06 0.00e+00 a 0 H2'.6 H1'.6
660 4.612 5.871 1 T -2.614e+06 0.00e+00 a 0 H2'.12 H1'.12
661 4.638 5.936 1 T -2.462e+06 0.00e+00 a 0 H2'.2 H1'.2
662 4.705 6.006 1 T -1.898e+06 0.00e+00 a 0 H2'.4 H1'.4
663 4.051 6.141 1 T -3.092e+06 0.00e+00 a 0 H5".7 H5.8
664 3.790 6.142 1 T -2.179e+06 0.00e+00 a 0 H2'.6 H5.8
665 4.497 5.993 1 T -1.217e+06 0.00e+00 a 0 H4'.9 H1'.9
666 4.891 5.822 1 T -1.289e+06 0.00e+00 a 0 H2'.1 H1'.1
667 4.744 5.584 1 T -1.017e+06 0.00e+00 a 0 H2'.11 H1'.11
670 4.483 5.514 1 T -1.144e+06 0.00e+00 a 0 H3'.13 H1'.13
671 4.210 5.777 1 T -1.134e+06 0.00e+00 a 0 H3'.14 H1'.14
672 4.124 5.987 1 T -8.532e+05 0.00e+00 a 0 H2'.8 H1'.8
673 4.413 5.889 1 T -7.453e+05 0.00e+00 a 0 H4'.6 H5.7
674 4.728 5.822 1 T -6.106e+05 0.00e+00 a 0 H3'.1 H1'.1
675 4.748 6.128 1 T -6.363e+05 0.00e+00 a 0 H2'.7 H1'.7
676 5.196 7.304 1 T -2.359e+06 0.00e+00 a 0 H5.5 H6.5
677 4.713 7.304 1 T -2.352e+06 0.00e+00 a 0 H2'.4 H6.5
679 4.163 7.304 1 T -1.703e+06 0.00e+00 a 0 H3'.5 H6.5
680 5.351 7.453 1 T -1.073e+06 0.00e+00 a 0 H1'.5 H2.4
681 6.004 7.304 1 T -2.716e+05 0.00e+00 a 0 H1'.4 H6.5
683 4.716 7.453 1 T -2.000e+05 0.00e+00 a 0 H2'.4 H2.4
684 5.872 7.453 1 T -7.989e+05 0.00e+00 a 0 H1'.12 H2.4
685 4.890 7.643 1 T -2.861e+06 0.00e+00 a 0 H2'.1 H8.2
686 4.725 7.643 1 T -2.418e+06 0.00e+00 a 0 H3'.2 H8.2
687 4.613 7.699 1 T -4.861e+06 0.00e+00 a 0 H2'.12 H6.13
688 4.644 7.729 1 T -4.786e+06 0.00e+00 a 0 H2'.2 H6.3
689 4.601 7.772 1 T -2.786e+06 0.00e+00 a 0 H3'.6 H6.6
690 4.506 7.817 1 T -2.732e+06 0.00e+00 a 0 H2'.10 H6.11
691 4.724 7.808 1 T -4.678e+06 0.00e+00 a 0 H2'.11 H8.12
692 4.417 7.772 1 T -2.087e+06 0.00e+00 a 0 H2'.5 H6.6
693 4.264 7.693 1 T -3.829e+06 0.00e+00 a 0 H2'.13 H6.14
694 4.077 7.718 1 T -5.235e+06 0.00e+00 a 0 H5".7 H6.8
695 3.983 8.099 1 T -1.786e+06 0.00e+00 a 0 H5".1 H8.1
696 4.643 8.087 1 T -5.125e+06 0.00e+00 a 0 H2'.3 H8.4
697 4.747 8.046 1 T -1.586e+06 0.00e+00 a 0 H2'.7 H6.7
698 4.578 8.354 1 T -3.830e+06 0.00e+00 a 0 H5".10 H8.10
699 4.313 8.354 1 T -1.668e+06 0.00e+00 a 0 H3'.10 H8.10
700 8.093 8.093 1 T -4.419e+07 0.00e+00 a 0 H8.1 H8.1
701 7.720 7.720 1 T -2.954e+07 0.00e+00 a 0 H6.8 H6.8
702 6.006 6.006 1 T -3.999e+07 0.00e+00 a 0 H1'.4 H1'.4
703 5.992 5.993 1 T -5.216e+07 0.00e+00 a 0 H1'.9 H1'.9
704 5.987 5.987 1 T -3.977e+07 0.00e+00 a 0 H1'.8 H1'.8
705 5.873 5.872 1 T -4.222e+07 0.00e+00 a 0 H1'.12 H1'.12
706 5.888 5.888 1 T -2.024e+07 0.00e+00 a 0 H5.7 H5.7
707 5.673 5.672 1 T -6.643e+07 0.00e+00 a 0 H1'.6 H1'.6
708 5.668 5.668 1 T -5.604e+07 0.00e+00 a 0 H3'.9 H3'.9
709 5.682 5.682 1 T -5.247e+07 0.00e+00 a 0 H5.6 H5.6
710 5.560 5.560 1 T -6.103e+07 0.00e+00 a 0 H1'.3 H1'.3
711 5.551 5.551 1 T -5.687e+07 0.00e+00 a 0 H5.14 H5.14
713 4.311 4.285 1 T -5.901e+06 0.00e+00 a 0 H3'.10 H3'.10
715 4.039 4.038 1 T -6.642e+07 0.00e+00 a 0 H2'.14 H2'.14
716 4.045 4.045 1 T -6.931e+07 0.00e+00 a 0 H5".7 H5".7
717 4.122 4.122 1 T -1.663e+07 0.00e+00 a 0 H2'.8 H2'.8
718 4.267 4.220 1 T -6.024e+06 0.00e+00 a 0 H5".9 H5".9
719 4.054 4.054 1 T -4.314e+07 0.00e+00 a 0 H5".5 H5".5
720 4.089 4.089 1 T -3.816e+07 0.00e+00 a 0 H5'.1 H5'.1
722 4.207 4.183 1 T -3.353e+07 0.00e+00 a 0 H5".4 H5".4
723 4.195 4.195 1 T -1.946e+07 0.00e+00 a 0 H3'.14 H3'.14
724 4.162 4.162 1 T -3.384e+07 0.00e+00 a 0 H3'.5 H3'.5
725 4.086 4.086 1 T -3.816e+07 0.00e+00 a 0 H5".13 H5".13
726 4.435 4.378 1 T -8.841e+06 0.00e+00 a 0 H2'.5 H2'.5
727 4.293 4.273 1 T -1.702e+07 0.00e+00 a 0 H2'.13 H2'.13
728 4.484 4.427 1 T -8.999e+06 0.00e+00 a 0 H3'.13 H3'.13
729 4.480 4.427 1 T -8.999e+06 0.00e+00 a 0 H4'.9 H4'.9
732 8.747 5.673 1 T -1.273e+06 0.00e+00 a 0 H21.10 H1'.6
733 8.747 5.583 1 T -8.804e+05 0.00e+00 a 0 H21.10 H1'.11
734 5.585 8.749 1 T -2.353e+04 0.00e+00 a 0 H1'.11 H21.10
735 6.154 9.930 1 T -7.659e+05 0.00e+00 a 0 H5.8 H1.9
;
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 1
2 . . H 1 H . . 20000.000 Hz . . . 4.773 . . 30386 1
stop_
save_