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 30668
_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 8.391 3.740 1 T 8.297e+05 0.00e+00 a 0 H.1 HA3.1
2 7.847 3.742 1 T 1.160e+05 0.00e+00 a 0 H.2 HA3.1
3 7.852 4.368 1 T 3.861e+05 0.00e+00 a 0 H.2 HA.2
3 7.852 4.368 1 T 3.861e+05 0.00e+00 a 0 H.2 HA2.1
4 7.846 2.030 1 T 5.080e+05 0.00e+00 a 0 H.2 HB2.2
5 7.848 1.749 1 T 1.877e+05 0.00e+00 a 0 H.2 HB3.2
6 7.846 1.592 1 T 3.385e+05 0.00e+00 a 0 H.2 HG2.2
7 7.729 1.590 1 T 1.781e+05 0.00e+00 a 0 HE.2 HG2.2
8 7.727 2.031 1 T 1.324e+05 0.00e+00 a 0 HE.2 HB2.2
9 8.363 5.617 1 T 5.926e+05 0.00e+00 a 0 H.3 HA.3
10 8.372 4.365 1 T 1.834e+06 0.00e+00 a 0 H.3 HA.2
11 8.369 3.015 1 T 4.738e+05 0.00e+00 a 0 H.3 HB2.3
12 8.370 2.860 1 T 1.409e+05 0.00e+00 a 0 H.3 HB3.3
13 9.213 5.618 1 T 1.361e+06 0.00e+00 a 0 H.4 HA.3
14 9.222 4.859 1 T 8.577e+04 0.00e+00 a 0 H.4 HA.4
15 9.211 4.834 1 T 3.023e+05 0.00e+00 a 0 H.4 HA.4
16 9.214 3.183 1 T 1.763e+05 0.00e+00 a 0 H.4 HB2.4
17 9.213 3.007 1 T 4.804e+05 0.00e+00 a 0 H.4 HB3.4
18 8.678 4.388 1 T 4.147e+05 0.00e+00 a 0 H.5 HA.5
19 8.677 4.831 1 T 1.373e+06 0.00e+00 a 0 H.5 HA.4
20 8.677 1.963 1 T 1.608e+05 0.00e+00 a 0 H.5 HB2.5
21 8.678 1.507 1 T 6.958e+04 0.00e+00 a 0 H.5 HG2.5
22 8.676 1.759 1 T 4.588e+05 0.00e+00 a 0 H.5 HB3.5
22 8.676 1.759 1 T 4.588e+05 0.00e+00 a 0 H.5 HD3.5
23 7.626 4.387 1 T 5.596e+05 0.00e+00 a 0 H.6 HA.5
24 7.622 3.994 1 T 8.240e+04 0.00e+00 a 0 H.6 HB2.6
25 7.622 3.792 1 T 1.531e+05 0.00e+00 a 0 H.6 HB3.6
26 8.252 4.422 1 T 6.657e+05 0.00e+00 a 0 H.7 HA.6
27 8.262 4.656 1 T 1.531e+05 0.00e+00 a 0 H.7 HA.7
28 8.246 4.633 1 T 1.628e+05 0.00e+00 a 0 H.7 HA.7
29 8.255 1.410 1 T 5.832e+04 0.00e+00 a 0 H.7 HG2.7
30 8.253 1.701 1 T 2.753e+05 0.00e+00 a 0 H.7 HD2.7
30 8.253 1.701 1 T 2.753e+05 0.00e+00 a 0 H.7 HB3.7
31 8.253 1.759 1 T 2.735e+05 0.00e+00 a 0 H.7 HB2.7
32 5.117 4.648 1 T 2.152e+05 0.00e+00 a 0 HA.8 HA.7
33 3.636 2.115 1 T 6.862e+04 0.00e+00 a 0 HD2.8 HB3.8
34 3.640 1.985 1 T 3.866e+05 0.00e+00 a 0 HD2.8 HG2.8
35 3.633 1.847 1 T 5.323e+05 0.00e+00 a 0 HD2.8 HG3.8
36 3.524 1.852 1 T 5.589e+05 0.00e+00 a 0 HD3.8 HG3.8
37 3.523 1.976 1 T 6.630e+05 0.00e+00 a 0 HD3.8 HG2.8
38 3.530 2.117 1 T 5.274e+04 0.00e+00 a 0 HD3.8 HB3.8
39 3.531 2.430 1 T 7.437e+04 0.00e+00 a 0 HD3.8 HB2.8
40 3.631 3.523 1 T 7.901e+06 0.00e+00 a 0 HD2.8 HD3.8
41 3.527 3.637 1 T 7.731e+06 0.00e+00 a 0 HD3.8 HD2.8
42 3.815 5.115 1 T 8.724e+05 0.00e+00 a 0 HD2.9 HA.8
43 3.685 5.114 1 T 5.341e+05 0.00e+00 a 0 HD3.9 HA.8
44 3.815 4.449 1 T 1.942e+05 0.00e+00 a 0 HD2.9 HA.9
45 3.816 2.324 1 T 1.001e+05 0.00e+00 a 0 HD2.9 HB2.9
46 3.816 2.114 1 T 8.636e+05 0.00e+00 a 0 HD2.9 HG3.9
47 3.807 1.953 1 T 1.031e+05 0.00e+00 a 0 HD2.9 HB3.9
48 3.685 1.941 1 T 1.333e+05 0.00e+00 a 0 HD3.9 HB3.9
49 3.683 2.112 1 T 8.852e+05 0.00e+00 a 0 HD3.9 HG3.9
50 3.687 2.332 1 T 5.458e+04 0.00e+00 a 0 HD3.9 HB2.9
51 3.810 3.680 1 T 5.626e+06 0.00e+00 a 0 HD2.9 HD3.9
52 3.686 3.816 1 T 6.090e+06 0.00e+00 a 0 HD3.9 HD2.9
53 7.604 4.452 1 T 1.520e+06 0.00e+00 a 0 H.10 HA.9
54 7.611 4.316 1 T 2.418e+05 0.00e+00 a 0 H.10 HA.10
55 7.602 1.687 1 T 2.719e+05 0.00e+00 a 0 H.10 HB.10
56 7.601 1.004 1 T 6.912e+04 0.00e+00 a 0 H.10 HG13.10
57 7.603 0.715 1 T 1.060e+05 0.00e+00 a 0 H.10 QG2.10
58 8.401 4.310 1 T 1.646e+06 0.00e+00 a 0 H.11 HA.10
59 8.396 5.464 1 T 4.661e+05 0.00e+00 a 0 H.11 HA.11
60 8.401 2.900 1 T 4.614e+05 0.00e+00 a 0 H.11 HB3.11
60 8.401 2.900 1 T 4.614e+05 0.00e+00 a 0 H.11 HB2.11
61 8.913 5.465 1 T 1.607e+06 0.00e+00 a 0 H.12 HA.11
62 8.920 4.898 1 T 1.722e+05 0.00e+00 a 0 H.12 HA.12
63 8.914 3.380 1 T 1.454e+05 0.00e+00 a 0 H.12 HB2.12
64 8.913 3.127 1 T 7.623e+05 0.00e+00 a 0 H.12 HB3.12
65 4.052 4.891 1 T 1.429e+06 0.00e+00 a 0 HD2.13 HA.12
65 4.052 4.891 1 T 1.429e+06 0.00e+00 a 0 HD3.13 HA.12
66 4.057 2.485 1 T 7.556e+04 0.00e+00 a 0 HD2.13 HB2.13
66 4.057 2.485 1 T 7.556e+04 0.00e+00 a 0 HD3.13 HB2.13
67 4.050 2.218 1 T 7.560e+05 0.00e+00 a 0 HD2.13 HG2.13
67 4.050 2.218 1 T 7.560e+05 0.00e+00 a 0 HD3.13 HG2.13
68 4.054 2.114 1 T 2.147e+05 0.00e+00 a 0 HD2.13 HG3.13
68 4.054 2.114 1 T 2.147e+05 0.00e+00 a 0 HD3.13 HG3.13
69 4.051 2.057 1 T 2.691e+05 0.00e+00 a 0 HD2.13 HB3.13
69 4.051 2.057 1 T 2.691e+05 0.00e+00 a 0 HD3.13 HB3.13
70 7.786 4.433 1 T 1.365e+05 0.00e+00 a 0 H.14 HA.13
71 7.784 4.540 1 T 4.038e+05 0.00e+00 a 0 H.14 HA.14
72 7.784 3.124 1 T 3.298e+05 0.00e+00 a 0 H.14 HB2.14
73 7.784 2.740 1 T 4.511e+05 0.00e+00 a 0 H.14 HB3.14
74 8.392 4.538 1 T 1.830e+05 0.00e+00 a 0 H.1 HA.14
75 9.213 5.463 1 T 1.594e+05 0.00e+00 a 0 H.4 HA.11
76 8.914 5.618 1 T 1.807e+05 0.00e+00 a 0 H.12 HA.3
78 8.252 3.992 1 T 6.613e+05 0.00e+00 a 0 H.7 HB2.6
79 8.253 3.797 1 T 1.676e+05 0.00e+00 a 0 H.7 HB3.6
80 7.785 4.052 1 T 1.726e+05 0.00e+00 a 0 H.14 HD2.13
80 7.785 4.052 1 T 1.726e+05 0.00e+00 a 0 H.14 HD3.13
81 7.785 3.383 1 T 3.079e+05 0.00e+00 a 0 H.14 HB2.12
82 9.214 2.857 1 T 2.743e+05 0.00e+00 a 0 H.4 HB3.3
83 8.914 2.914 1 T 4.194e+05 0.00e+00 a 0 H.12 HB3.11
83 8.914 2.914 1 T 4.194e+05 0.00e+00 a 0 H.12 HB2.11
84 8.678 3.187 1 T 2.206e+05 0.00e+00 a 0 H.5 HB2.4
85 8.677 3.003 1 T 1.116e+05 0.00e+00 a 0 H.5 HB3.4
86 8.392 3.127 1 T 9.549e+04 0.00e+00 a 0 H.1 HB3.12
87 7.847 3.128 1 T 1.612e+05 0.00e+00 a 0 H.2 HB3.12
88 9.214 7.185 1 T 6.109e+04 0.00e+00 a 0 H.4 QD.4
89 9.213 7.602 1 T 2.004e+05 0.00e+00 a 0 H.4 H.10
90 8.916 7.305 1 T 7.722e+04 0.00e+00 a 0 H.12 QD.12
91 8.913 7.851 1 T 7.238e+04 0.00e+00 a 0 H.12 H.2
92 8.678 7.623 1 T 7.968e+04 0.00e+00 a 0 H.5 H.6
93 9.212 8.678 1 T 6.641e+04 0.00e+00 a 0 H.4 H.5
94 8.392 7.787 1 T 4.558e+05 0.00e+00 a 0 H.1 H.14
95 8.390 7.844 1 T 4.767e+05 0.00e+00 a 0 H.1 H.2
96 7.846 8.389 1 T 5.437e+05 0.00e+00 a 0 H.2 H.1
97 7.785 8.392 1 T 5.403e+05 0.00e+00 a 0 H.14 H.1
98 7.625 8.250 1 T 9.820e+04 0.00e+00 a 0 H.6 H.7
99 7.622 8.676 1 T 9.315e+04 0.00e+00 a 0 H.6 H.5
100 7.467 6.822 1 T 1.457e+05 0.00e+00 a 0 - -
101 7.185 6.814 1 T 1.334e+06 0.00e+00 a 0 QD.4 QE.4
102 8.393 8.916 1 T 7.888e+04 0.00e+00 a 0 H.1 H.12
103 8.676 9.207 1 T 9.967e+04 0.00e+00 a 0 H.5 H.4
104 7.601 9.214 1 T 1.936e+05 0.00e+00 a 0 H.10 H.4
105 7.846 8.912 1 T 8.656e+04 0.00e+00 a 0 H.2 H.12
106 7.306 8.915 1 T 1.202e+05 0.00e+00 a 0 QD.12 H.12
107 7.188 9.215 1 T 8.042e+04 0.00e+00 a 0 QD.4 H.4
108 9.213 1.688 1 T 6.365e+04 0.00e+00 a 0 H.4 HB.10
109 9.213 0.715 1 T 5.934e+04 0.00e+00 a 0 H.4 -
110 8.399 0.716 1 T 1.016e+05 0.00e+00 a 0 H.11 -
111 8.380 2.031 1 T 8.195e+04 0.00e+00 a 0 - HB2.2
112 7.784 2.046 1 T 1.547e+05 0.00e+00 a 0 - -
113 7.305 3.125 1 T 2.516e+05 0.00e+00 a 0 QD.12 HB3.12
114 7.305 3.383 1 T 1.141e+05 0.00e+00 a 0 QD.12 HB2.12
115 7.304 4.052 1 T 1.860e+05 0.00e+00 a 0 QD.12 HD2.13
115 7.304 4.052 1 T 1.860e+05 0.00e+00 a 0 QD.12 HD3.13
116 7.306 4.894 1 T 1.043e+05 0.00e+00 a 0 QD.12 HA.12
117 7.301 5.464 1 T 6.763e+04 0.00e+00 a 0 QD.12 HA.11
118 7.302 5.606 1 T 5.099e+04 0.00e+00 a 0 QD.12 HA.3
119 7.304 2.032 1 T 9.287e+04 0.00e+00 a 0 QD.12 HB2.2
120 7.304 1.747 1 T 5.408e+04 0.00e+00 a 0 QD.12 HB3.2
121 7.304 0.713 1 T 7.147e+04 0.00e+00 a 0 - -
122 7.185 4.828 1 T 1.339e+05 0.00e+00 a 0 QD.4 HA.4
123 7.188 3.189 1 T 2.063e+05 0.00e+00 a 0 QD.4 HB2.4
124 7.186 3.006 1 T 1.589e+05 0.00e+00 a 0 QD.4 HB3.4
125 7.182 3.796 1 T 5.503e+04 0.00e+00 a 0 QD.4 HB3.6
126 6.811 7.181 1 T 1.621e+06 0.00e+00 a 0 - -
127 5.620 5.463 1 T 8.878e+05 0.00e+00 a 0 HA.3 HA.11
128 5.463 5.620 1 T 7.528e+05 0.00e+00 a 0 HA.11 HA.3
129 5.615 2.855 1 T 5.194e+05 0.00e+00 a 0 - -
130 5.597 3.014 1 T 3.176e+05 0.00e+00 a 0 - -
131 5.436 2.922 1 T 2.737e+05 0.00e+00 a 0 - -
132 5.458 2.887 1 T 6.542e+05 0.00e+00 a 0 - -
133 2.908 5.477 1 T 6.809e+05 0.00e+00 a 0 HB3.11 HA.11
133 2.908 5.477 1 T 6.809e+05 0.00e+00 a 0 HB2.11 HA.11
134 3.012 5.610 1 T 1.227e+05 0.00e+00 a 0 HB2.3 HA.3
135 2.868 5.616 1 T 4.418e+05 0.00e+00 a 0 HB3.3 HA.3
136 2.431 5.116 1 T 3.488e+05 0.00e+00 a 0 HB2.8 HA.8
137 3.383 4.900 1 T 3.719e+05 0.00e+00 a 0 HB2.12 HA.12
138 3.130 4.900 1 T 1.961e+05 0.00e+00 a 0 HB3.12 HA.12
139 3.184 4.841 1 T 4.958e+05 0.00e+00 a 0 HB2.4 HA.4
140 3.016 4.846 1 T 1.929e+05 0.00e+00 a 0 HB3.4 HA.4
141 3.144 4.538 1 T 2.547e+05 0.00e+00 a 0 HB2.14 HA.14
142 3.101 4.538 1 T 2.952e+05 0.00e+00 a 0 HB2.14 HA.14
143 2.760 4.537 1 T 2.727e+05 0.00e+00 a 0 HB3.14 HA.14
144 2.717 4.538 1 T 2.491e+05 0.00e+00 a 0 HB3.14 HA.14
145 2.738 3.124 1 T 6.236e+06 0.00e+00 a 0 HB3.14 HB2.14
146 3.121 2.738 1 T 6.138e+06 0.00e+00 a 0 HB2.14 HB3.14
147 2.864 3.014 1 T 1.175e+07 0.00e+00 a 0 HB3.3 HB2.3
148 3.007 2.856 1 T 8.347e+06 0.00e+00 a 0 HB2.3 HB3.3
149 3.747 4.384 1 T 3.301e+06 0.00e+00 a 0 HA3.1 HA2.1
150 3.726 4.383 1 T 3.117e+06 0.00e+00 a 0 HA3.1 HA2.1
151 4.400 3.742 1 T 2.185e+06 0.00e+00 a 0 - -
152 3.797 3.992 1 T 8.290e+06 0.00e+00 a 0 HB3.6 HB2.6
153 3.986 3.793 1 T 8.439e+06 0.00e+00 a 0 HB2.6 HB3.6
154 3.981 4.423 1 T 2.539e+05 0.00e+00 a 0 HB2.6 HA.6
155 3.795 4.427 1 T 4.956e+05 0.00e+00 a 0 HB3.6 HA.6
156 7.603 1.461 1 T 8.730e+04 0.00e+00 a 0 H.10 HG12.10
157 8.678 1.724 1 T 2.640e+05 0.00e+00 a 0 H.5 HD2.5
157 8.678 1.724 1 T 2.640e+05 0.00e+00 a 0 H.5 HD3.5
158 8.252 7.627 1 T 5.720e+04 0.00e+00 a 0 H.7 H.6
160 7.729 3.233 1 T 6.283e+05 0.00e+00 a 0 HE.2 HD2.2
161 7.752 3.179 1 T 1.659e+05 0.00e+00 a 0 HE.2 HD2.2
162 7.702 3.176 1 T 1.166e+05 0.00e+00 a 0 HE.2 HD2.2
163 7.727 3.115 1 T 5.538e+04 0.00e+00 a 0 HE.2 -
164 7.619 3.186 1 T 9.478e+04 0.00e+00 a 0 H.6 HB2.4
165 7.608 3.007 1 T 1.585e+05 0.00e+00 a 0 H.10 HE3.7
165 7.608 3.007 1 T 1.585e+05 0.00e+00 a 0 H.10 HE2.7
166 7.606 2.326 1 T 8.611e+04 0.00e+00 a 0 H.10 HB2.9
167 7.620 1.959 1 T 1.632e+05 0.00e+00 a 0 H.6 -
168 8.369 1.747 1 T 1.631e+05 0.00e+00 a 0 H.3 -
169 8.374 1.591 1 T 9.162e+04 0.00e+00 a 0 H.3 HG2.2
170 7.167 0.717 1 T 1.149e+05 0.00e+00 a 0 QD.4 QG2.10
171 7.128 0.717 1 T 1.096e+05 0.00e+00 a 0 - QG2.10
172 5.629 8.371 1 T 5.057e+05 0.00e+00 a 0 HA.3 H.3
173 5.472 8.402 1 T 4.178e+05 0.00e+00 a 0 HA.11 H.11
174 5.621 8.913 1 T 1.130e+05 0.00e+00 a 0 HA.3 H.12
175 5.465 8.913 1 T 8.684e+05 0.00e+00 a 0 HA.11 H.12
176 5.619 9.213 1 T 8.460e+05 0.00e+00 a 0 HA.3 H.4
177 5.462 9.214 1 T 8.455e+04 0.00e+00 a 0 HA.11 H.4
178 5.116 3.819 1 T 1.401e+05 0.00e+00 a 0 HA.8 HD2.9
179 5.104 2.425 1 T 1.054e+05 0.00e+00 a 0 HA.8 HB2.8
180 5.108 2.119 1 T 5.401e+04 0.00e+00 a 0 HA.8 HB3.8
181 4.904 3.130 1 T 1.249e+05 0.00e+00 a 0 - -
182 3.139 4.051 1 T 2.612e+05 0.00e+00 a 0 HB3.12 HD2.13
182 3.139 4.051 1 T 2.612e+05 0.00e+00 a 0 HB3.12 HD3.13
183 3.395 4.050 1 T 6.220e+05 0.00e+00 a 0 HB2.12 HD2.13
183 3.395 4.050 1 T 6.220e+05 0.00e+00 a 0 HB2.12 HD3.13
184 3.368 4.050 1 T 7.365e+05 0.00e+00 a 0 HB2.12 HD3.13
184 3.368 4.050 1 T 7.365e+05 0.00e+00 a 0 HB2.12 HD2.13
185 4.052 3.382 1 T 8.144e+05 0.00e+00 a 0 HD3.13 HB2.12
185 4.052 3.382 1 T 8.144e+05 0.00e+00 a 0 HD2.13 HB2.12
186 4.051 3.135 1 T 8.026e+04 0.00e+00 a 0 HD3.13 HB3.12
186 4.051 3.135 1 T 8.026e+04 0.00e+00 a 0 HD2.13 HB3.12
187 3.141 3.380 1 T 5.206e+06 0.00e+00 a 0 HB3.12 HB2.12
188 3.369 3.128 1 T 5.907e+06 0.00e+00 a 0 HB2.12 HB3.12
189 3.683 2.427 1 T 9.816e+04 0.00e+00 a 0 HD3.9 HB2.8
190 3.187 4.357 1 T 3.896e+04 0.00e+00 a 0 HD3.2 HA.2
191 3.189 2.032 1 T 4.494e+04 0.00e+00 a 0 HD3.2 HB2.2
192 3.194 1.755 1 T 9.989e+04 0.00e+00 a 0 HD3.2 HB3.2
193 3.220 1.754 1 T 9.993e+04 0.00e+00 a 0 HD2.2 HB3.2
194 3.222 1.594 1 T 5.607e+05 0.00e+00 a 0 HD2.2 HG3.2
194 3.222 1.594 1 T 5.607e+05 0.00e+00 a 0 HD2.2 HG2.2
195 3.183 1.593 1 T 6.158e+05 0.00e+00 a 0 HD3.2 HG3.2
195 3.183 1.593 1 T 6.158e+05 0.00e+00 a 0 HD3.2 HG2.2
196 1.748 3.188 1 T 1.244e+05 0.00e+00 a 0 HB3.2 HD2.2
196 1.748 3.188 1 T 1.244e+05 0.00e+00 a 0 HB3.2 HD3.2
197 1.591 3.199 1 T 8.100e+05 0.00e+00 a 0 HG3.2 HD2.2
197 1.591 3.199 1 T 8.100e+05 0.00e+00 a 0 HG3.2 HD3.2
197 1.591 3.199 1 T 8.100e+05 0.00e+00 a 0 HG2.2 HD2.2
197 1.591 3.199 1 T 8.100e+05 0.00e+00 a 0 HG2.2 HD3.2
198 1.593 4.361 1 T 3.287e+05 0.00e+00 a 0 HG2.2 HA.2
198 1.593 4.361 1 T 3.287e+05 0.00e+00 a 0 HG3.2 HA.2
199 1.751 4.361 1 T 3.126e+05 0.00e+00 a 0 HB3.2 HA.2
200 2.022 4.341 1 T 1.138e+05 0.00e+00 a 0 HB2.2 HA.2
201 1.586 2.028 1 T 1.168e+06 0.00e+00 a 0 HG3.2 HB2.2
201 1.586 2.028 1 T 1.168e+06 0.00e+00 a 0 HG2.2 HB2.2
202 2.042 1.597 1 T 6.071e+05 0.00e+00 a 0 HB2.2 HG3.2
202 2.042 1.597 1 T 6.071e+05 0.00e+00 a 0 HB2.2 HG2.2
203 1.741 1.592 1 T 5.036e+06 0.00e+00 a 0 HB3.2 HG2.2
203 1.741 1.592 1 T 5.036e+06 0.00e+00 a 0 HB3.2 HG3.2
204 1.599 1.746 1 T 6.333e+06 0.00e+00 a 0 HG3.2 HB3.2
204 1.599 1.746 1 T 6.333e+06 0.00e+00 a 0 HG2.2 HB3.2
205 2.021 1.746 1 T 1.131e+06 0.00e+00 a 0 HB2.2 HB3.2
206 3.814 4.646 1 T 1.583e+05 0.00e+00 a 0 HD2.9 HA.7
207 3.852 4.201 1 T 1.230e+05 0.00e+00 a 0 - -
208 3.934 4.174 1 T 7.203e+04 0.00e+00 a 0 - -
209 3.679 4.650 1 T 7.986e+04 0.00e+00 a 0 - -
210 2.487 4.434 1 T 4.939e+05 0.00e+00 a 0 HB2.13 HA.13
211 2.492 4.056 1 T 9.377e+04 0.00e+00 a 0 HB2.13 HD2.13
211 2.492 4.056 1 T 9.377e+04 0.00e+00 a 0 HB2.13 HD3.13
212 2.055 4.053 1 T 3.474e+05 0.00e+00 a 0 HB3.13 HD2.13
212 2.055 4.053 1 T 3.474e+05 0.00e+00 a 0 HB3.13 HD3.13
213 2.111 4.045 1 T 4.207e+05 0.00e+00 a 0 HG3.13 HD3.13
213 2.111 4.045 1 T 4.207e+05 0.00e+00 a 0 HG3.13 HD2.13
214 2.217 4.051 1 T 9.033e+05 0.00e+00 a 0 HG2.13 HD2.13
214 2.217 4.051 1 T 9.033e+05 0.00e+00 a 0 HG2.13 HD3.13
215 2.036 4.434 1 T 1.863e+05 0.00e+00 a 0 HB3.13 HA.13
216 2.111 4.439 1 T 2.149e+05 0.00e+00 a 0 HG3.13 HA.13
217 2.230 4.440 1 T 6.704e+05 0.00e+00 a 0 - -
218 2.493 2.051 1 T 1.702e+06 0.00e+00 a 0 HB2.13 HB3.13
219 2.477 2.207 1 T 3.818e+05 0.00e+00 a 0 HB2.13 HG2.13
220 2.034 2.482 1 T 1.329e+06 0.00e+00 a 0 - -
221 2.123 5.109 1 T 2.822e+05 0.00e+00 a 0 HB3.8 HA.8
222 2.435 3.516 1 T 7.083e+04 0.00e+00 a 0 HB2.8 HD3.8
223 1.852 3.520 1 T 5.151e+05 0.00e+00 a 0 HG3.8 HD3.8
224 1.831 3.638 1 T 3.305e+05 0.00e+00 a 0 HG3.8 HD2.8
225 1.970 3.522 1 T 6.738e+05 0.00e+00 a 0 HG2.8 HD3.8
226 1.976 3.639 1 T 4.523e+05 0.00e+00 a 0 HG2.8 HD2.8
227 2.125 3.523 1 T 8.372e+04 0.00e+00 a 0 HB3.8 HD3.8
228 2.117 3.634 1 T 2.389e+05 0.00e+00 a 0 HB3.8 HD2.8
229 1.834 2.424 1 T 7.367e+05 0.00e+00 a 0 HG3.8 HB2.8
230 1.965 2.426 1 T 4.810e+05 0.00e+00 a 0 HG2.8 HB2.8
231 2.125 2.427 1 T 3.785e+06 0.00e+00 a 0 HB3.8 HB2.8
232 1.857 2.113 1 T 4.671e+05 0.00e+00 a 0 HG3.8 HB3.8
233 1.950 2.110 1 T 2.715e+06 0.00e+00 a 0 HG2.8 HB3.8
234 1.969 1.849 1 T 6.377e+06 0.00e+00 a 0 HG2.8 HG3.8
235 2.109 1.850 1 T 3.056e+05 0.00e+00 a 0 HB3.8 HG3.8
236 2.100 1.946 1 T 2.280e+06 0.00e+00 a 0 HB3.8 HG2.8
237 2.441 1.854 1 T 7.101e+05 0.00e+00 a 0 HB2.8 HG3.8
238 2.442 1.976 1 T 3.449e+05 0.00e+00 a 0 HB2.8 HG2.8
239 2.418 2.118 1 T 2.691e+06 0.00e+00 a 0 HB2.8 HB3.8
240 2.328 4.452 1 T 5.232e+05 0.00e+00 a 0 HB2.9 HA.9
241 1.939 4.449 1 T -1.228e+05 0.00e+00 a 0 HB3.9 HA.9
242 2.114 4.449 1 T 1.981e+05 0.00e+00 a 0 HG3.9 HA.9
243 2.103 3.815 1 T 9.145e+05 0.00e+00 a 0 HG3.9 HD2.9
244 1.949 3.815 1 T 1.882e+05 0.00e+00 a 0 HB3.9 HD2.9
245 2.112 3.690 1 T 7.918e+05 0.00e+00 a 0 HG3.9 HD3.9
246 1.954 3.676 1 T 2.281e+05 0.00e+00 a 0 - -
247 1.942 3.686 1 T 1.894e+05 0.00e+00 a 0 HB3.9 HD3.9
248 2.134 2.325 1 T 1.983e+06 0.00e+00 a 0 HG3.9 HB2.9
249 1.928 2.308 1 T 8.046e+05 0.00e+00 a 0 HB3.9 HB2.9
250 2.314 2.120 1 T 2.309e+06 0.00e+00 a 0 - -
251 2.336 1.952 1 T 5.858e+05 0.00e+00 a 0 HB2.9 HB3.9
252 0.714 4.309 1 T 2.324e+05 0.00e+00 a 0 QG2.10 HA.10
253 0.838 4.315 1 T 1.216e+05 0.00e+00 a 0 QD1.10 HA.10
254 0.998 4.310 1 T 7.966e+04 0.00e+00 a 0 HG13.10 HA.10
255 1.470 4.316 1 T 7.702e+04 0.00e+00 a 0 HG12.10 HA.10
256 1.682 4.313 1 T 1.806e+05 0.00e+00 a 0 HB.10 HA.10
257 0.743 1.685 1 T 1.652e+05 0.00e+00 a 0 QG2.10 HB.10
258 0.691 1.681 1 T 1.429e+05 0.00e+00 a 0 QG2.10 HB.10
259 0.837 1.688 1 T 2.118e+05 0.00e+00 a 0 QD1.10 HB.10
260 0.987 1.683 1 T 2.511e+05 0.00e+00 a 0 HG13.10 HB.10
261 0.713 1.471 1 T 1.940e+05 0.00e+00 a 0 QG2.10 HG12.10
262 0.830 1.461 1 T 2.156e+06 0.00e+00 a 0 QD1.10 HG12.10
263 0.991 1.463 1 T 2.330e+06 0.00e+00 a 0 HG13.10 HG12.10
264 0.841 0.998 1 T 7.255e+06 0.00e+00 a 0 QD1.10 HG13.10
265 0.989 0.836 1 T 5.319e+06 0.00e+00 a 0 HG13.10 QD1.10
266 1.720 0.718 1 T 1.784e+05 0.00e+00 a 0 HB.10 QG2.10
267 1.475 0.836 1 T 1.283e+06 0.00e+00 a 0 HG12.10 QD1.10
268 1.468 1.001 1 T 2.621e+06 0.00e+00 a 0 HG12.10 HG13.10
269 1.689 1.004 1 T 3.379e+05 0.00e+00 a 0 HB.10 HG13.10
270 1.690 0.834 1 T 8.515e+04 0.00e+00 a 0 HB.10 QD1.10
271 1.459 2.243 1 T 3.089e+05 0.00e+00 a 0 - -
272 0.716 7.162 1 T 1.145e+05 0.00e+00 a 0 QG2.10 QD.4
273 0.712 8.406 1 T 1.166e+05 0.00e+00 a 0 QG2.10 H.11
274 0.715 9.836 1 T 4.296e+04 0.00e+00 a 0 - -
275 0.707 3.017 1 T 8.825e+04 0.00e+00 a 0 - -
276 0.714 2.987 1 T 7.411e+04 0.00e+00 a 0 QG2.10 -
277 2.011 1.005 1 T 1.256e+05 0.00e+00 a 0 - HG13.10
278 2.081 0.801 1 T 1.086e+06 0.00e+00 a 0 - -
279 1.282 4.648 1 T 6.011e+04 0.00e+00 a 0 HG3.7 HA.7
280 1.706 2.988 1 T 8.371e+05 0.00e+00 a 0 HD2.7 HE3.7
280 1.706 2.988 1 T 8.371e+05 0.00e+00 a 0 HB3.7 HE3.7
281 1.737 3.031 1 T 9.754e+05 0.00e+00 a 0 HD3.5 HE2.5
281 1.737 3.031 1 T 9.754e+05 0.00e+00 a 0 HD3.5 HE3.5
282 1.760 3.015 1 T 4.605e+05 0.00e+00 a 0 HB2.7 HE2.7
282 1.760 3.015 1 T 4.605e+05 0.00e+00 a 0 HB2.7 HE3.7
283 3.006 1.729 1 T 5.054e+05 0.00e+00 a 0 HE2.7 HB3.7
283 3.006 1.729 1 T 5.054e+05 0.00e+00 a 0 HE3.7 HB3.7
284 1.267 1.768 1 T 1.820e+05 0.00e+00 a 0 HG3.7 HB2.7
285 1.275 1.669 1 T 9.361e+04 0.00e+00 a 0 HG3.7 -
286 1.417 1.690 1 T 2.221e+06 0.00e+00 a 0 - -
287 1.516 1.713 1 T 3.758e+06 0.00e+00 a 0 - -
288 1.706 1.506 1 T 3.224e+06 0.00e+00 a 0 - -
289 1.674 1.410 1 T 2.539e+06 0.00e+00 a 0 - -
290 1.833 1.299 1 T 5.468e+04 0.00e+00 a 0 - -
291 1.790 1.289 1 T 2.361e+05 0.00e+00 a 0 HB2.7 HG3.7
292 1.734 1.290 1 T 2.787e+05 0.00e+00 a 0 HB2.7 HG3.7
293 1.940 4.408 1 T 3.423e+05 0.00e+00 a 0 - -
294 1.760 4.388 1 T 1.522e+05 0.00e+00 a 0 HB3.5 HA.5
295 1.402 3.030 1 T -1.339e+05 0.00e+00 a 0 HG3.5 HE2.5
295 1.402 3.030 1 T -1.339e+05 0.00e+00 a 0 HG3.5 HE3.5
296 1.391 1.961 1 T 4.357e+05 0.00e+00 a 0 HG3.5 HB2.5
297 1.492 1.960 1 T 5.979e+05 0.00e+00 a 0 HG2.5 HB2.5
298 1.983 1.510 1 T 4.297e+05 0.00e+00 a 0 HB2.5 HG2.5
299 1.978 1.399 1 T 2.004e+05 0.00e+00 a 0 HB2.5 HG3.5
300 1.768 1.965 1 T 5.088e+06 0.00e+00 a 0 HB3.5 HB2.5
301 1.954 1.762 1 T 5.458e+06 0.00e+00 a 0 HB2.5 HB3.5
302 1.290 1.404 1 T 5.227e+06 0.00e+00 a 0 HG3.7 HG2.7
303 1.397 1.282 1 T 4.905e+06 0.00e+00 a 0 HG2.7 HG3.7
304 3.017 3.188 1 T 6.587e+06 0.00e+00 a 0 HB3.4 HB2.4
305 3.176 3.008 1 T 6.388e+06 0.00e+00 a 0 HB2.4 HB3.4
;
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 . . 12 ppm . . . 4.7 . . 30668 1
2 . . H 1 H . . 12 ppm . . . 4.7 . . 30668 1
stop_
save_