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 30683
_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 3
_Spectral_peak_list.Experiment_name '2D 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 3.664 4.097 1 T 4.827e+06 0.00e+00 a 0 HA3.6 HA2.6
2 4.098 3.661 1 T 2.245e+06 0.00e+00 a 0 HA2.6 HA3.6
3 8.588 3.662 1 T 1.890e+06 0.00e+00 a 0 H.6 HA3.6
4 8.587 4.094 1 T 1.423e+06 0.00e+00 a 0 H.6 HA2.6
5 8.139 3.664 1 T 4.896e+05 0.00e+00 a 0 H.7 HA3.6
6 8.137 4.094 1 T 6.289e+05 0.00e+00 a 0 H.7 HA2.6
7 8.143 4.673 1 T 5.397e+05 0.00e+00 a 0 H.7 HA.7
12 7.828 2.950 1 T 2.146e+05 0.00e+00 a 0 QZ.7 HE3.7
13 7.822 3.045 1 T 2.440e+05 0.00e+00 a 0 QZ.7 HE2.7
14 8.138 1.888 1 T 9.306e+05 0.00e+00 a 0 H.7 HB2.7
15 8.137 1.817 1 T 1.240e+06 0.00e+00 a 0 H.7 HB3.7
16 7.828 1.284 1 T 1.502e+05 0.00e+00 a 0 QZ.7 HG3.7
17 7.829 1.418 1 T 3.528e+05 0.00e+00 a 0 QZ.7 HD3.7
18 8.137 1.292 1 T 2.561e+05 0.00e+00 a 0 H.7 HG3.7
19 8.135 1.419 1 T 4.362e+05 0.00e+00 a 0 H.7 HD3.7
20 3.041 1.296 1 T 2.132e+05 0.00e+00 a 0 HE2.7 HG3.7
23 2.944 1.293 1 T 2.073e+05 0.00e+00 a 0 HE3.7 HG2.7
26 3.041 2.945 1 T 2.031e+07 0.00e+00 a 0 HE2.7 HE3.7
27 2.941 3.039 1 T 1.871e+07 0.00e+00 a 0 HE3.7 HE2.7
28 1.289 3.041 1 T 2.351e+05 0.00e+00 a 0 HG3.7 HE2.7
29 1.290 2.944 1 T 2.395e+05 0.00e+00 a 0 HG2.7 HE3.7
33 1.462 3.040 1 T 3.989e+05 0.00e+00 a 0 HD3.7 HE2.7
34 1.411 3.041 1 T 5.625e+05 0.00e+00 a 0 HD3.7 HE2.7
36 1.472 2.945 1 T 4.073e+05 0.00e+00 a 0 HD2.7 HE3.7
37 1.416 2.946 1 T 6.019e+05 0.00e+00 a 0 HD3.7 HE3.7
38 1.889 4.661 1 T 7.939e+05 0.00e+00 a 0 HB2.7 HA.7
39 1.818 4.661 1 T 9.381e+05 0.00e+00 a 0 HB3.7 HA.7
40 1.480 4.662 1 T 2.023e+05 0.00e+00 a 0 HD2.7 HA.7
41 1.414 4.661 1 T 6.116e+05 0.00e+00 a 0 HD3.7 HA.7
42 1.288 4.661 1 T 3.714e+05 0.00e+00 a 0 HG3.7 HA.7
43 1.199 5.414 1 T 7.563e+05 0.00e+00 a 0 QG2.8 HA.8
43 1.199 5.414 1 T 7.563e+05 0.00e+00 a 0 HG1.8 HA.8
44 1.199 3.977 1 T 3.396e+06 0.00e+00 a 0 QG2.8 HB.8
44 1.199 3.977 1 T 3.396e+06 0.00e+00 a 0 HG1.8 HB.8
45 3.984 5.412 1 T 3.179e+05 0.00e+00 a 0 HB.8 HA.8
46 3.975 1.205 1 T 1.704e+06 0.00e+00 a 0 HB.8 HG1.8
46 3.975 1.205 1 T 1.704e+06 0.00e+00 a 0 HB.8 QG2.8
47 8.660 1.202 1 T 3.057e+05 0.00e+00 a 0 H.8 HG1.8
47 8.660 1.202 1 T 3.057e+05 0.00e+00 a 0 H.8 QG2.8
48 8.655 3.979 1 T 6.965e+05 0.00e+00 a 0 H.8 HB.8
49 8.660 5.414 1 T 1.346e+05 0.00e+00 a 0 H.8 HA.8
50 8.655 4.661 1 T 1.961e+06 0.00e+00 a 0 H.8 HA.7
51 8.656 1.889 1 T 2.178e+05 0.00e+00 a 0 H.8 HB2.7
52 8.655 1.817 1 T 1.939e+05 0.00e+00 a 0 H.8 HB3.7
53 8.655 1.415 1 T 1.804e+05 0.00e+00 a 0 H.8 HD3.7
54 8.656 1.289 1 T 1.434e+05 0.00e+00 a 0 H.8 HG3.7
55 3.308 3.179 1 T 8.844e+06 0.00e+00 a 0 HB2.9 HB3.9
56 3.186 3.296 1 T 9.730e+06 0.00e+00 a 0 HB3.9 HB2.9
57 10.214 7.138 1 T 1.368e+05 0.00e+00 a 0 HE1.9 HH2.9
58 10.215 7.005 1 T 2.633e+06 0.00e+00 a 0 HE1.9 HD1.9
59 10.215 7.384 1 T 1.397e+06 0.00e+00 a 0 HE1.9 HZ2.9
60 9.219 7.470 1 T 1.024e+05 0.00e+00 a 0 H.9 HE3.9
61 9.204 7.382 1 T 5.343e+04 0.00e+00 a 0 H.9 HZ2.9
62 7.050 7.470 1 T 3.367e+06 0.00e+00 a 0 HZ3.9 HE3.9
64 7.054 7.142 1 T 4.146e+06 0.00e+00 a 0 HZ3.9 HH2.9
65 7.137 7.055 1 T 4.145e+06 0.00e+00 a 0 HH2.9 HZ3.9
67 7.469 3.298 1 T 1.496e+06 0.00e+00 a 0 HE3.9 HB2.9
68 7.468 3.181 1 T 9.160e+05 0.00e+00 a 0 HE3.9 HB3.9
69 7.001 3.296 1 T 1.126e+06 0.00e+00 a 0 HD1.9 HB2.9
70 7.001 3.179 1 T 1.852e+06 0.00e+00 a 0 HD1.9 HB3.9
71 7.059 3.300 1 T 1.338e+05 0.00e+00 a 0 HZ3.9 HB2.9
72 7.058 3.177 1 T 9.804e+04 0.00e+00 a 0 HZ3.9 HB3.9
78 9.212 3.181 1 T 1.108e+05 0.00e+00 a 0 H.9 HB3.9
79 9.211 3.300 1 T 7.366e+04 0.00e+00 a 0 H.9 HB2.9
81 9.218 3.979 1 T 4.899e+04 0.00e+00 a 0 H.9 HB.8
82 3.861 2.743 1 T 1.782e+05 0.00e+00 a 0 HA.10 HD2.10
83 8.557 0.585 1 T 6.695e+05 0.00e+00 a 0 H.10 HG3.10
84 8.557 1.390 1 T 1.160e+06 0.00e+00 a 0 H.10 HB2.10
85 8.555 2.740 1 T 1.553e+05 0.00e+00 a 0 H.10 HD2.10
87 8.557 3.296 1 T 6.628e+05 0.00e+00 a 0 H.10 HB2.9
88 8.557 3.180 1 T 9.541e+05 0.00e+00 a 0 H.10 HB3.9
89 8.555 3.862 1 T 5.426e+05 0.00e+00 a 0 H.10 HA.10
90 4.475 1.120 1 T 1.268e+06 0.00e+00 a 0 HA.11 HG1.11
90 4.475 1.120 1 T 1.268e+06 0.00e+00 a 0 HA.11 QG2.11
90 4.475 1.120 1 T 1.268e+06 0.00e+00 a 0 HB.11 HG1.11
90 4.475 1.120 1 T 1.268e+06 0.00e+00 a 0 HB.11 QG2.11
91 1.121 4.459 1 T 4.623e+06 0.00e+00 a 0 QG2.11 HA.11
91 1.121 4.459 1 T 4.623e+06 0.00e+00 a 0 HG1.11 HA.11
92 1.122 4.481 1 T 5.612e+06 0.00e+00 a 0 HG1.11 HB.11
92 1.122 4.481 1 T 5.612e+06 0.00e+00 a 0 QG2.11 HB.11
93 8.358 1.119 1 T 2.042e+06 0.00e+00 a 0 H.11 HG1.11
93 8.358 1.119 1 T 2.042e+06 0.00e+00 a 0 H.11 QG2.11
94 8.360 3.861 1 T 2.249e+06 0.00e+00 a 0 H.11 HA.10
96 8.362 4.460 1 T 1.041e+06 0.00e+00 a 0 H.11 HA.11
97 8.362 4.478 1 T 1.041e+06 0.00e+00 a 0 H.11 HB.11
98 8.882 1.762 1 T 3.350e+05 0.00e+00 a 0 H.12 HB2.12
100 8.881 1.348 1 T 1.014e+05 0.00e+00 a 0 H.12 HG2.12
101 8.880 4.010 1 T 1.540e+05 0.00e+00 a 0 H.12 HA.12
102 8.880 4.458 1 T 4.556e+05 0.00e+00 a 0 H.12 HA.11
103 8.879 4.478 1 T 5.779e+05 0.00e+00 a 0 H.12 HB.11
104 8.045 1.346 1 T 1.620e+05 0.00e+00 a 0 QZ.12 HG2.12
105 8.043 3.133 1 T 1.272e+05 0.00e+00 a 0 QZ.12 HE2.12
106 4.015 3.129 1 T 4.292e+04 0.00e+00 a 0 HA.12 HE3.12
107 1.760 4.012 1 T 1.812e+06 0.00e+00 a 0 HB2.12 HA.12
108 1.476 4.010 1 T 3.419e+05 0.00e+00 a 0 HD3.12 HA.12
109 1.344 4.011 1 T 5.803e+05 0.00e+00 a 0 HG2.12 HA.12
110 1.345 3.134 1 T 5.983e+05 0.00e+00 a 0 HG2.12 HE3.12
111 1.474 1.353 1 T 1.098e+07 0.00e+00 a 0 HD2.12 HG2.12
112 1.350 1.465 1 T 1.027e+07 0.00e+00 a 0 HG3.12 HD2.12
113 4.016 1.753 1 T 1.976e+06 0.00e+00 a 0 HA.12 HB2.12
114 4.013 1.473 1 T 3.147e+05 0.00e+00 a 0 HA.12 HD2.12
115 4.012 1.346 1 T 7.298e+05 0.00e+00 a 0 HA.12 HG3.12
116 8.410 2.464 1 T 1.231e+05 0.00e+00 a 0 H.13 HG2.13
117 8.414 2.378 1 T 1.326e+05 0.00e+00 a 0 H.13 HG3.13
118 8.413 2.026 1 T 6.451e+05 0.00e+00 a 0 H.13 HB3.13
119 8.414 2.054 1 T 6.244e+05 0.00e+00 a 0 H.13 HB2.13
120 8.415 4.158 1 T 3.403e+05 0.00e+00 a 0 H.13 HA.13
121 8.411 4.009 1 T 3.182e+05 0.00e+00 a 0 H.13 HA.12
122 2.469 4.157 1 T 3.582e+05 0.00e+00 a 0 HG2.13 HA.13
123 2.383 4.160 1 T 5.712e+05 0.00e+00 a 0 HG3.13 HA.13
124 2.062 4.159 1 T 1.407e+06 0.00e+00 a 0 HB2.13 HA.13
125 2.024 4.163 1 T 1.097e+06 0.00e+00 a 0 HB3.13 HA.13
126 2.376 2.459 1 T 8.866e+06 0.00e+00 a 0 HG3.13 HG2.13
127 2.465 2.380 1 T 9.646e+06 0.00e+00 a 0 HG2.13 HG3.13
128 2.049 2.462 1 T 1.136e+06 0.00e+00 a 0 HB2.13 HG2.13
129 2.021 2.463 1 T 6.837e+05 0.00e+00 a 0 HB3.13 HG2.13
130 2.053 2.376 1 T 9.666e+05 0.00e+00 a 0 HB2.13 HG3.13
132 2.018 2.377 1 T 1.023e+06 0.00e+00 a 0 HB3.13 HG3.13
133 2.942 4.444 1 T 1.020e+06 0.00e+00 a 0 HB2.14 HA.14
134 2.750 4.442 1 T 1.471e+06 0.00e+00 a 0 HB3.14 HA.14
135 2.747 2.938 1 T 7.686e+06 0.00e+00 a 0 HB3.14 HB2.14
136 7.697 2.940 1 T 2.187e+05 0.00e+00 a 0 H.14 HB2.14
137 7.682 2.751 1 T 1.392e+05 0.00e+00 a 0 H.14 HB3.14
140 7.697 4.446 1 T 1.128e+05 0.00e+00 a 0 H.14 HA.14
141 7.689 4.158 1 T 1.978e+05 0.00e+00 a 0 H.14 HA.13
142 9.456 3.909 1 T 3.912e+05 0.00e+00 a 0 H.5 HA.5
143 8.124 3.182 1 T 1.620e+05 0.00e+00 a 0 QZ.5 HE2.5
144 8.130 1.961 1 T 2.793e+05 0.00e+00 a 0 QZ.5 HB2.5
145 8.130 1.489 1 T 2.310e+05 0.00e+00 a 0 QZ.5 HD3.5
146 8.124 1.364 1 T 1.803e+05 0.00e+00 a 0 QZ.5 HG3.5
147 3.911 1.957 1 T 1.319e+06 0.00e+00 a 0 HA.5 HB2.5
148 3.908 1.836 1 T 9.336e+05 0.00e+00 a 0 HA.5 HB3.5
149 1.960 3.909 1 T 1.100e+06 0.00e+00 a 0 HB2.5 HA.5
150 1.827 3.910 1 T 8.248e+05 0.00e+00 a 0 HB3.5 HA.5
151 1.575 3.910 1 T 1.820e+05 0.00e+00 a 0 - HA.5
154 8.587 3.908 1 T 1.562e+06 0.00e+00 a 0 H.6 HA.5
155 0.898 1.937 1 T 1.031e+06 0.00e+00 a 0 QD1.4 HB.4
156 0.895 1.540 1 T 1.895e+06 0.00e+00 a 0 QD1.4 HG12.4
157 0.893 1.189 1 T 2.961e+06 0.00e+00 a 0 QD1.4 HG13.4
158 0.971 1.934 1 T 3.567e+06 0.00e+00 a 0 QG2.4 HB.4
159 0.970 1.543 1 T 1.335e+06 0.00e+00 a 0 QG2.4 HG12.4
160 1.550 4.323 1 T 3.995e+05 0.00e+00 a 0 HG12.4 HA.4
161 0.971 4.323 1 T 1.568e+06 0.00e+00 a 0 QG2.4 HA.4
162 0.897 4.324 1 T 7.582e+05 0.00e+00 a 0 QD1.4 HA.4
163 1.943 4.326 1 T 6.714e+05 0.00e+00 a 0 HB.4 HA.4
164 9.038 4.325 1 T 5.020e+05 0.00e+00 a 0 H.4 HA.4
166 9.455 4.323 1 T 5.192e+05 0.00e+00 a 0 H.5 HA.4
167 9.037 1.936 1 T 5.865e+05 0.00e+00 a 0 H.4 HB.4
168 9.033 1.543 1 T 2.619e+05 0.00e+00 a 0 H.4 HG12.4
169 9.033 1.193 1 T 7.740e+05 0.00e+00 a 0 H.4 HG13.4
170 9.037 0.975 1 T 4.066e+05 0.00e+00 a 0 H.4 QG2.4
171 9.041 0.900 1 T 1.106e+05 0.00e+00 a 0 H.4 QD1.4
172 2.746 3.861 1 T 3.485e+05 0.00e+00 a 0 HD3.10 HA.10
173 1.058 3.867 1 T 3.635e+06 0.00e+00 a 0 QG2.3 HB.3
173 1.058 3.867 1 T 3.635e+06 0.00e+00 a 0 HG1.3 HB.3
174 8.449 3.871 1 T 1.207e+06 0.00e+00 a 0 H.3 HB.3
175 8.456 5.262 1 T 3.544e+05 0.00e+00 a 0 H.3 HA.3
176 3.880 5.259 1 T 3.056e+05 0.00e+00 a 0 HB.3 HA.3
177 1.057 5.254 1 T 1.173e+06 0.00e+00 a 0 HG1.3 HA.3
177 1.057 5.254 1 T 1.173e+06 0.00e+00 a 0 QG2.3 HA.3
178 1.198 5.261 1 T 2.453e+05 0.00e+00 a 0 HG1.8 HA.3
178 1.198 5.261 1 T 2.453e+05 0.00e+00 a 0 QG2.8 HA.3
179 1.057 5.412 1 T 2.181e+05 0.00e+00 a 0 QG2.3 HA.8
179 1.057 5.412 1 T 2.181e+05 0.00e+00 a 0 HG1.3 HA.8
180 3.868 1.063 1 T 2.329e+06 0.00e+00 a 0 HB.3 QG2.3
180 3.868 1.063 1 T 2.329e+06 0.00e+00 a 0 HB.3 HG1.3
181 8.453 1.061 1 T 7.688e+05 0.00e+00 a 0 H.3 HG1.3
181 8.453 1.061 1 T 7.688e+05 0.00e+00 a 0 H.3 QG2.3
183 1.578 4.535 1 T 1.500e+05 0.00e+00 a 0 HD3.2 HA.2
184 1.180 4.535 1 T 5.325e+05 0.00e+00 a 0 HB2.2 HA.2
185 1.021 4.537 1 T 4.003e+05 0.00e+00 a 0 HB3.2 HA.2
186 9.032 1.116 1 T 8.019e+05 0.00e+00 a 0 H.2 HG3.2
189 9.031 4.539 1 T 5.513e+05 0.00e+00 a 0 H.2 HA.2
190 9.035 3.868 1 T 4.252e+05 0.00e+00 a 0 H.2 HA.10
191 8.452 4.535 1 T 3.598e+06 0.00e+00 a 0 - -
192 10.280 7.219 1 T 2.585e+06 0.00e+00 a 0 HE1.1 HD1.1
193 10.280 7.478 1 T 1.069e+06 0.00e+00 a 0 HE1.1 HZ2.1
194 7.227 7.478 1 T 3.905e+06 0.00e+00 a 0 HH2.1 HZ2.1
195 7.230 7.075 1 T 3.932e+06 0.00e+00 a 0 HH2.1 HZ3.1
196 7.072 7.225 1 T 3.694e+06 0.00e+00 a 0 HZ3.1 HH2.1
197 7.067 7.382 1 T 4.291e+06 0.00e+00 a 0 HZ3.1 HE3.1
198 7.137 7.405 1 T 4.464e+06 0.00e+00 a 0 HH2.9 HZ2.9
199 8.751 3.047 1 T 7.685e+05 0.00e+00 a 0 H.1 HB2.1
200 8.752 2.940 1 T 1.764e+06 0.00e+00 a 0 H.1 HB3.1
201 7.221 3.047 1 T 1.054e+06 0.00e+00 a 0 HH2.1 HB2.1
201 7.221 3.047 1 T 1.054e+06 0.00e+00 a 0 HD1.1 HB2.1
202 7.221 2.939 1 T 1.889e+06 0.00e+00 a 0 HD1.1 HB3.1
202 7.221 2.939 1 T 1.889e+06 0.00e+00 a 0 HH2.1 HB3.1
203 7.382 3.051 1 T 1.740e+06 0.00e+00 a 0 HE3.1 HB2.1
204 7.382 2.941 1 T 9.866e+05 0.00e+00 a 0 HE3.1 HB3.1
205 9.032 3.048 1 T 5.373e+05 0.00e+00 a 0 H.2 -
206 9.035 2.935 1 T 3.093e+05 0.00e+00 a 0 H.2 -
207 7.067 3.046 1 T 1.825e+05 0.00e+00 a 0 - -
208 7.068 2.941 1 T 1.324e+05 0.00e+00 a 0 - -
209 8.752 2.749 1 T 1.960e+05 0.00e+00 a 0 - -
210 8.751 3.466 1 T 2.401e+06 0.00e+00 a 0 - -
211 8.751 3.355 1 T 1.654e+06 0.00e+00 a 0 - -
212 8.749 1.192 1 T 6.964e+04 0.00e+00 a 0 - -
213 8.752 1.119 1 T 1.005e+05 0.00e+00 a 0 - -
214 8.747 3.858 1 T 5.218e+04 0.00e+00 a 0 - -
215 8.754 4.446 1 T 5.488e+04 0.00e+00 a 0 - -
216 10.280 3.047 1 T 5.322e+04 0.00e+00 a 0 - -
217 10.281 2.938 1 T 1.522e+05 0.00e+00 a 0 - -
218 3.872 3.051 1 T 7.595e+04 0.00e+00 a 0 - -
219 3.864 2.935 1 T 8.809e+04 0.00e+00 a 0 - -
220 9.030 3.297 1 T 3.779e+04 0.00e+00 a 0 - -
221 9.034 3.181 1 T 5.810e+04 0.00e+00 a 0 - -
222 9.043 1.820 1 T 8.382e+04 0.00e+00 a 0 - -
223 9.036 1.060 1 T 9.964e+05 0.00e+00 a 0 H.4 -
224 8.451 1.113 1 T 5.831e+05 0.00e+00 a 0 - -
225 7.471 1.116 1 T 2.879e+05 0.00e+00 a 0 - -
226 7.404 1.119 1 T 4.898e+05 0.00e+00 a 0 - -
227 7.270 1.109 1 T 7.387e+04 0.00e+00 a 0 - -
228 7.222 1.114 1 T 1.862e+05 0.00e+00 a 0 - -
229 7.138 1.118 1 T 2.894e+05 0.00e+00 a 0 - -
230 7.059 1.122 1 T 3.351e+05 0.00e+00 a 0 - -
231 7.001 1.120 1 T 6.086e+05 0.00e+00 a 0 - -
232 7.406 1.580 1 T 5.665e+05 0.00e+00 a 0 - -
233 4.531 1.182 1 T 1.795e+05 0.00e+00 a 0 - -
234 4.536 1.115 1 T 2.753e+05 0.00e+00 a 0 - -
235 4.531 1.022 1 T 1.168e+05 0.00e+00 a 0 - -
236 4.321 0.969 1 T 5.782e+05 0.00e+00 a 0 - -
237 4.321 0.899 1 T 2.607e+05 0.00e+00 a 0 - -
238 4.325 1.062 1 T 8.070e+04 0.00e+00 a 0 - -
239 4.321 1.189 1 T 3.715e+05 0.00e+00 a 0 - -
240 4.321 1.542 1 T 2.309e+05 0.00e+00 a 0 - -
241 4.330 1.931 1 T 4.215e+05 0.00e+00 a 0 - -
242 4.156 2.047 1 T 1.631e+06 0.00e+00 a 0 - -
243 4.156 2.460 1 T 2.316e+05 0.00e+00 a 0 - -
244 4.158 2.374 1 T 4.446e+05 0.00e+00 a 0 - -
245 4.448 2.747 1 T 4.231e+05 0.00e+00 a 0 - -
246 3.676 1.058 1 T 3.223e+05 0.00e+00 a 0 - -
247 3.647 1.058 1 T 2.761e+05 0.00e+00 a 0 - -
248 3.860 0.554 1 T 4.997e+05 0.00e+00 a 0 - -
249 3.823 0.485 1 T 3.864e+04 0.00e+00 a 0 - -
250 2.744 0.549 1 T 1.664e+06 0.00e+00 a 0 - -
251 2.939 0.541 1 T 2.864e+05 0.00e+00 a 0 - -
252 2.743 1.105 1 T 1.815e+06 0.00e+00 a 0 - -
262 2.937 3.466 1 T 5.537e+05 0.00e+00 a 0 - -
263 2.752 3.467 1 T 8.442e+05 0.00e+00 a 0 - -
264 2.936 3.353 1 T 4.259e+05 0.00e+00 a 0 - -
265 2.749 3.354 1 T 4.791e+05 0.00e+00 a 0 - -
266 7.688 2.465 1 T 2.686e+05 0.00e+00 a 0 HE22.13 HG2.13
267 7.689 2.375 1 T 4.115e+05 0.00e+00 a 0 HE22.13 HG3.13
268 7.139 1.935 1 T 7.484e+05 0.00e+00 a 0 - -
269 7.056 1.934 1 T 8.656e+05 0.00e+00 a 0 - -
270 7.001 1.935 1 T 4.164e+05 0.00e+00 a 0 - -
271 7.057 1.815 1 T 3.833e+05 0.00e+00 a 0 - -
272 7.469 1.890 1 T 3.289e+05 0.00e+00 a 0 - -
273 7.469 1.810 1 T 2.523e+05 0.00e+00 a 0 - -
274 7.407 0.973 1 T 1.605e+05 0.00e+00 a 0 - -
275 7.138 0.971 1 T 4.503e+05 0.00e+00 a 0 - -
276 7.056 0.970 1 T 3.774e+05 0.00e+00 a 0 - -
277 7.001 0.970 1 T 1.576e+05 0.00e+00 a 0 - -
278 7.407 0.899 1 T 2.605e+05 0.00e+00 a 0 - -
279 7.139 0.899 1 T 5.862e+05 0.00e+00 a 0 - -
280 7.057 0.900 1 T 2.335e+05 0.00e+00 a 0 - -
281 7.001 0.898 1 T 2.200e+05 0.00e+00 a 0 - -
282 7.468 1.286 1 T 6.792e+05 0.00e+00 a 0 - -
283 7.384 1.198 1 T 2.859e+06 0.00e+00 a 0 - -
284 7.224 1.198 1 T 6.407e+05 0.00e+00 a 0 - -
285 7.071 1.199 1 T 1.215e+06 0.00e+00 a 0 - -
286 7.470 1.193 1 T 2.764e+05 0.00e+00 a 0 - -
287 7.139 1.190 1 T 3.709e+05 0.00e+00 a 0 - -
288 7.001 1.191 1 T 1.708e+05 0.00e+00 a 0 - -
289 7.470 1.409 1 T 3.884e+05 0.00e+00 a 0 - -
290 7.138 1.543 1 T 5.993e+05 0.00e+00 a 0 - -
291 7.056 1.542 1 T 3.558e+05 0.00e+00 a 0 - -
292 7.481 2.742 1 T 6.153e+05 0.00e+00 a 0 - -
293 7.379 2.741 1 T 2.709e+05 0.00e+00 a 0 - -
294 7.271 2.745 1 T 1.784e+05 0.00e+00 a 0 - -
295 7.222 2.745 1 T 5.196e+05 0.00e+00 a 0 - -
296 7.382 3.982 1 T 3.167e+05 0.00e+00 a 0 - -
297 7.382 3.861 1 T 3.970e+05 0.00e+00 a 0 - -
298 7.221 3.465 1 T 5.023e+05 0.00e+00 a 0 - -
299 7.219 3.352 1 T 2.445e+05 0.00e+00 a 0 - -
300 10.213 1.120 1 T 7.482e+05 0.00e+00 a 0 - -
301 10.214 4.469 1 T 4.516e+05 0.00e+00 a 0 - -
302 8.138 1.060 1 T 3.127e+05 0.00e+00 a 0 - -
303 8.134 0.971 1 T 1.952e+05 0.00e+00 a 0 - -
304 8.588 1.057 1 T 5.372e+05 0.00e+00 a 0 - -
305 8.360 0.548 1 T 2.906e+05 0.00e+00 a 0 - -
306 8.359 1.389 1 T 2.541e+05 0.00e+00 a 0 - -
307 8.412 1.757 1 T 3.011e+05 0.00e+00 a 0 - -
308 7.830 1.789 1 T 4.128e+05 0.00e+00 a 0 - -
309 8.587 1.956 1 T 5.673e+05 0.00e+00 a 0 - -
310 8.587 1.826 1 T 4.762e+05 0.00e+00 a 0 - -
311 8.450 1.188 1 T 4.532e+05 0.00e+00 a 0 - -
312 8.361 2.937 1 T 4.216e+05 0.00e+00 a 0 - -
313 8.359 2.748 1 T 2.922e+05 0.00e+00 a 0 - -
314 7.273 4.440 1 T 4.093e+05 0.00e+00 a 0 - -
315 7.001 4.469 1 T 8.512e+05 0.00e+00 a 0 - -
316 9.037 5.254 1 T 1.454e+06 0.00e+00 a 0 H.4 HA.3
323 7.688 6.960 1 T 5.760e+06 0.00e+00 a 0 HE22.13 HE21.13
324 7.473 7.053 1 T 3.966e+06 0.00e+00 a 0 - -
325 7.483 7.224 1 T 4.831e+06 0.00e+00 a 0 - -
326 7.383 7.073 1 T 4.028e+06 0.00e+00 a 0 - -
327 7.408 7.133 1 T 5.367e+06 0.00e+00 a 0 - -
329 7.378 7.267 1 T 8.037e+05 0.00e+00 a 0 - -
330 7.381 7.220 1 T 2.500e+05 0.00e+00 a 0 - -
331 10.280 2.743 1 T 3.202e+05 0.00e+00 a 0 - -
332 10.214 1.930 1 T 2.999e+05 0.00e+00 a 0 - -
333 10.214 3.295 1 T 8.637e+04 0.00e+00 a 0 - -
334 10.214 3.179 1 T 1.248e+05 0.00e+00 a 0 - -
335 10.214 1.812 1 T 2.493e+05 0.00e+00 a 0 - -
336 10.214 0.971 1 T 1.345e+05 0.00e+00 a 0 - -
337 10.216 0.901 1 T 1.060e+05 0.00e+00 a 0 - -
338 10.280 0.565 1 T 1.137e+05 0.00e+00 a 0 - -
339 10.213 1.561 1 T 1.556e+05 0.00e+00 a 0 - -
341 10.214 1.418 1 T 1.540e+05 0.00e+00 a 0 - -
342 9.459 0.971 1 T 1.061e+05 0.00e+00 a 0 - -
343 9.467 1.948 1 T 9.807e+04 0.00e+00 a 0 - -
344 9.452 1.945 1 T 9.644e+04 0.00e+00 a 0 - -
345 8.585 4.318 1 T 1.011e+05 0.00e+00 a 0 - -
346 6.960 2.467 1 T 1.111e+05 0.00e+00 a 0 HE21.13 HG2.13
347 6.959 2.375 1 T 1.449e+05 0.00e+00 a 0 HE21.13 HG3.13
348 7.221 0.586 1 T 1.964e+05 0.00e+00 a 0 - -
349 7.072 0.590 1 T 2.147e+05 0.00e+00 a 0 - -
350 7.479 0.570 1 T 1.570e+05 0.00e+00 a 0 - -
351 7.382 0.582 1 T 1.870e+05 0.00e+00 a 0 - -
352 7.223 0.533 1 T 1.870e+05 0.00e+00 a 0 - -
353 9.205 1.200 1 T 1.498e+05 0.00e+00 a 0 - -
354 7.222 1.386 1 T 1.554e+05 0.00e+00 a 0 - -
355 7.059 1.409 1 T 2.778e+05 0.00e+00 a 0 - -
356 7.055 1.292 1 T 1.538e+05 0.00e+00 a 0 - -
357 7.003 1.065 1 T 1.042e+05 0.00e+00 a 0 - -
358 7.000 1.400 1 T 1.417e+05 0.00e+00 a 0 - -
359 7.001 1.281 1 T 8.621e+04 0.00e+00 a 0 - -
360 7.406 1.417 1 T 2.295e+05 0.00e+00 a 0 - -
361 7.388 1.396 1 T 2.200e+05 0.00e+00 a 0 - -
362 7.687 2.041 1 T 1.336e+05 0.00e+00 a 0 - -
363 7.070 2.743 1 T 1.382e+05 0.00e+00 a 0 - -
364 7.074 3.979 1 T 1.372e+05 0.00e+00 a 0 - -
365 7.071 3.865 1 T 1.411e+05 0.00e+00 a 0 - -
366 7.272 4.009 1 T 1.273e+05 0.00e+00 a 0 - -
367 7.222 3.860 1 T 1.889e+05 0.00e+00 a 0 - -
368 7.466 3.979 1 T 7.876e+04 0.00e+00 a 0 - -
369 7.472 3.863 1 T 9.603e+04 0.00e+00 a 0 - -
370 7.061 4.469 1 T 2.167e+05 0.00e+00 a 0 - -
371 9.223 5.416 1 T 2.720e+05 0.00e+00 a 0 - -
372 7.470 5.412 1 T 3.109e+05 0.00e+00 a 0 - -
373 7.381 3.471 1 T 1.499e+05 0.00e+00 a 0 - -
379 8.413 7.689 1 T 1.406e+05 0.00e+00 a 0 H.13 HE22.13
383 7.466 9.278 1 T 1.075e+05 0.00e+00 a 0 - -
384 7.470 9.229 1 T 2.757e+05 0.00e+00 a 0 - -
386 7.386 9.208 1 T 1.373e+05 0.00e+00 a 0 - -
387 7.003 9.216 1 T 1.906e+05 0.00e+00 a 0 - -
388 7.468 9.198 1 T 3.050e+05 0.00e+00 a 0 - -
389 8.748 9.034 1 T 1.439e+05 0.00e+00 a 0 - -
390 8.450 9.032 1 T 2.141e+05 0.00e+00 a 0 - -
391 8.359 9.030 1 T 9.452e+04 0.00e+00 a 0 - -
392 8.137 9.036 1 T 3.286e+05 0.00e+00 a 0 - -
393 7.467 9.031 1 T 1.928e+05 0.00e+00 a 0 - -
394 7.382 9.031 1 T 2.717e+05 0.00e+00 a 0 - -
395 7.218 9.026 1 T 1.066e+05 0.00e+00 a 0 - -
396 7.138 9.030 1 T 8.923e+04 0.00e+00 a 0 - -
397 7.056 9.033 1 T 4.735e+05 0.00e+00 a 0 - -
398 7.002 9.035 1 T 2.532e+05 0.00e+00 a 0 - -
399 7.380 8.748 1 T 2.793e+05 0.00e+00 a 0 - -
400 7.220 8.746 1 T 1.218e+06 0.00e+00 a 0 - -
401 7.472 8.557 1 T 1.376e+05 0.00e+00 a 0 - -
402 7.382 8.557 1 T 1.591e+05 0.00e+00 a 0 - -
403 7.221 8.553 1 T 6.924e+04 0.00e+00 a 0 - -
404 7.073 8.556 1 T 2.584e+05 0.00e+00 a 0 - -
405 7.000 8.556 1 T 2.411e+05 0.00e+00 a 0 - -
406 8.135 8.585 1 T 4.829e+05 0.00e+00 a 0 - -
407 8.358 8.556 1 T 1.521e+05 0.00e+00 a 0 - -
408 8.132 8.654 1 T 1.018e+05 0.00e+00 a 0 - -
409 3.465 4.442 1 T 2.190e+05 0.00e+00 a 0 - -
410 3.350 4.442 1 T 2.613e+05 0.00e+00 a 0 - -
411 2.745 1.390 1 T 1.220e+06 0.00e+00 a 0 - -
412 2.939 1.200 1 T 4.540e+05 0.00e+00 a 0 - -
413 2.883 1.187 1 T 3.323e+05 0.00e+00 a 0 - -
414 2.936 1.109 1 T 5.934e+05 0.00e+00 a 0 - -
415 2.885 1.115 1 T 9.574e+05 0.00e+00 a 0 - -
416 2.887 0.899 1 T 3.615e+05 0.00e+00 a 0 - -
417 3.184 1.200 1 T 1.268e+05 0.00e+00 a 0 - -
418 3.188 1.120 1 T 1.840e+05 0.00e+00 a 0 - -
419 3.177 0.971 1 T 1.731e+05 0.00e+00 a 0 - -
420 3.173 1.354 1 T 5.024e+05 0.00e+00 a 0 - -
421 3.127 1.346 1 T 6.749e+05 0.00e+00 a 0 - -
422 3.181 1.958 1 T 1.949e+05 0.00e+00 a 0 - -
423 3.181 1.826 1 T 1.902e+05 0.00e+00 a 0 - -
424 3.134 1.764 1 T 2.277e+05 0.00e+00 a 0 - -
425 3.043 1.421 1 T 6.651e+05 0.00e+00 a 0 - -
435 2.890 1.579 1 T 1.758e+06 0.00e+00 a 0 - -
436 2.953 1.424 1 T 6.625e+05 0.00e+00 a 0 - -
439 1.388 0.583 1 T 2.162e+06 0.00e+00 a 0 - -
441 1.105 0.537 1 T 2.165e+06 0.00e+00 a 0 - -
442 1.934 0.972 1 T 2.125e+06 0.00e+00 a 0 - -
443 1.950 0.900 1 T 6.213e+05 0.00e+00 a 0 - -
444 1.934 0.899 1 T 7.451e+05 0.00e+00 a 0 - -
445 1.189 1.542 1 T 4.312e+06 0.00e+00 a 0 - -
446 1.332 1.762 1 T 2.223e+06 0.00e+00 a 0 - -
447 1.289 1.411 1 T 5.498e+06 0.00e+00 a 0 - -
448 0.973 1.198 1 T 1.172e+06 0.00e+00 a 0 - -
449 0.899 0.976 1 T 1.069e+04 0.00e+00 a 0 - -
450 0.969 1.453 1 T 1.161e+06 0.00e+00 a 0 - -
451 0.625 1.756 1 T 1.118e+06 0.00e+00 a 0 - -
452 9.033 5.412 1 T 1.818e+05 0.00e+00 a 0 H.4 HA.8
454 7.225 8.365 1 T 5.226e+04 0.00e+00 a 0 - -
455 7.005 8.366 1 T 5.881e+04 0.00e+00 a 0 - -
456 7.380 8.356 1 T 5.954e+04 0.00e+00 a 0 - -
461 3.910 4.323 1 T 2.058e+05 0.00e+00 a 0 - -
462 3.872 4.535 1 T 1.518e+05 0.00e+00 a 0 - -
463 4.013 4.471 1 T 1.172e+05 0.00e+00 a 0 - -
464 3.865 4.472 1 T 7.415e+04 0.00e+00 a 0 - -
465 2.938 3.861 1 T 1.660e+05 0.00e+00 a 0 - -
466 3.055 3.863 1 T 1.196e+05 0.00e+00 a 0 - -
467 0.556 3.860 1 T 3.315e+05 0.00e+00 a 0 - -
468 1.448 3.909 1 T 4.034e+05 0.00e+00 a 0 - -
469 1.355 3.908 1 T 7.174e+05 0.00e+00 a 0 - -
470 1.386 3.863 1 T 4.318e+05 0.00e+00 a 0 - -
471 1.197 3.866 1 T 2.180e+05 0.00e+00 a 0 - -
472 1.121 3.860 1 T 6.368e+05 0.00e+00 a 0 - -
473 1.057 3.659 1 T 4.714e+05 0.00e+00 a 0 - -
474 0.971 3.908 1 T 2.126e+05 0.00e+00 a 0 - -
475 1.057 3.981 1 T 2.018e+05 0.00e+00 a 0 - -
476 1.129 4.009 1 T 8.260e+04 0.00e+00 a 0 - -
477 1.060 4.095 1 T 2.628e+05 0.00e+00 a 0 - -
478 1.057 4.319 1 T 2.699e+05 0.00e+00 a 0 - -
479 1.200 4.324 1 T 5.771e+05 0.00e+00 a 0 - -
480 1.760 4.470 1 T 2.339e+05 0.00e+00 a 0 - -
481 1.761 3.131 1 T 2.328e+05 0.00e+00 a 0 - -
482 1.555 3.181 1 T 4.423e+05 0.00e+00 a 0 - -
483 1.477 3.181 1 T 4.664e+05 0.00e+00 a 0 - -
484 1.457 3.172 1 T 6.583e+05 0.00e+00 a 0 - -
485 1.586 3.162 1 T 4.124e+05 0.00e+00 a 0 - -
486 1.454 3.138 1 T 4.591e+05 0.00e+00 a 0 - -
487 1.488 3.109 1 T 5.508e+05 0.00e+00 a 0 - -
488 1.123 2.886 1 T 7.070e+05 0.00e+00 a 0 - -
489 1.386 2.742 1 T 7.675e+05 0.00e+00 a 0 - -
490 1.111 2.742 1 T 1.075e+06 0.00e+00 a 0 - -
491 0.544 2.744 1 T 7.619e+05 0.00e+00 a 0 - -
492 1.542 2.895 1 T 8.769e+05 0.00e+00 a 0 - -
493 1.589 2.879 1 T 6.570e+05 0.00e+00 a 0 - -
494 1.197 3.051 1 T 7.872e+05 0.00e+00 a 0 - -
495 1.200 2.943 1 T 4.179e+05 0.00e+00 a 0 - -
496 0.972 3.179 1 T 2.600e+05 0.00e+00 a 0 - -
497 0.900 2.888 1 T 3.594e+05 0.00e+00 a 0 - -
498 1.426 1.948 1 T 4.069e+05 0.00e+00 a 0 - -
499 1.344 1.952 1 T 5.391e+05 0.00e+00 a 0 - -
500 1.547 1.933 1 T 7.402e+05 0.00e+00 a 0 - -
501 1.460 1.938 1 T 4.526e+05 0.00e+00 a 0 - -
502 1.190 1.930 1 T 4.486e+05 0.00e+00 a 0 - -
503 1.406 1.885 1 T 7.514e+05 0.00e+00 a 0 - -
504 1.281 1.888 1 T 6.205e+05 0.00e+00 a 0 - -
505 1.573 1.823 1 T 2.074e+05 0.00e+00 a 0 - -
506 1.481 1.819 1 T 9.477e+05 0.00e+00 a 0 - -
507 1.416 1.819 1 T 1.263e+06 0.00e+00 a 0 - -
508 1.343 1.818 1 T 7.689e+05 0.00e+00 a 0 - -
509 1.276 1.819 1 T 6.183e+05 0.00e+00 a 0 - -
510 1.476 1.754 1 T 8.842e+05 0.00e+00 a 0 - -
511 1.351 1.571 1 T 6.628e+05 0.00e+00 a 0 - -
512 1.089 1.577 1 T 9.593e+05 0.00e+00 a 0 - -
513 1.122 1.557 1 T 9.071e+05 0.00e+00 a 0 - -
514 1.110 1.390 1 T 5.753e+05 0.00e+00 a 0 - -
515 1.026 1.094 1 T 5.324e+06 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 H-aliphatic . . 12.0166 ppm . . . 4.688 . . 30683 1
2 . . H 1 H-aliphatic . . 12.0166 ppm . . . 4.688 . . 30683 1
stop_
save_