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 30669
_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 8.476 4.440 1 T 7.362e+05 0.00e+00 a 0 H.1 HA2.1
2 8.477 3.720 1 T 1.094e+06 0.00e+00 a 0 H.1 HA3.1
3 7.936 4.395 1 T 5.205e+05 0.00e+00 a 0 H.2 HA.2
4 7.934 4.435 1 T 3.205e+05 0.00e+00 a 0 H.2 HA2.1
5 7.935 2.021 1 T 9.258e+05 0.00e+00 a 0 H.2 HB2.2
6 7.935 1.862 1 T 3.919e+05 0.00e+00 a 0 H.2 HB3.2
7 7.935 1.634 1 T 3.931e+05 0.00e+00 a 0 H.2 HG2.2
8 7.679 2.021 1 T 1.623e+05 0.00e+00 a 0 HE.2 HB2.2
9 7.679 1.606 1 T 1.157e+05 0.00e+00 a 0 HE.2 HG3.2
10 7.678 3.163 1 T 6.710e+05 0.00e+00 a 0 HE.2 HD3.2
11 8.778 5.694 1 T 3.007e+06 0.00e+00 a 0 H.4 HA.3
12 8.758 4.387 1 T 2.587e+06 0.00e+00 a 0 H.3 HA.2
13 8.752 4.535 1 T 1.423e+05 0.00e+00 a 0 H.3 HG2.3
14 8.760 2.637 1 T 7.127e+05 0.00e+00 a 0 H.3 HB2.3
15 8.779 2.243 1 T 6.673e+05 0.00e+00 a 0 H.4 HB3.3
16 8.781 4.483 1 T 6.128e+05 0.00e+00 a 0 H.4 HB.4
16 8.781 4.483 1 T 6.128e+05 0.00e+00 a 0 H.4 HA.4
17 8.781 1.297 1 T 6.558e+05 0.00e+00 a 0 H.4 QG2.4
18 8.557 4.487 1 T 3.472e+06 0.00e+00 a 0 H.5 HB.4
19 8.557 2.040 1 T 1.842e+05 0.00e+00 a 0 H.5 HB2.5
20 8.557 1.648 1 T 8.257e+05 0.00e+00 a 0 H.5 HB3.5
21 7.212 4.348 1 T 6.031e+05 0.00e+00 a 0 H.6 HA.6
22 7.214 3.736 1 T 2.506e+05 0.00e+00 a 0 H.6 HB3.6
23 7.213 4.499 1 T 6.518e+05 0.00e+00 a 0 H.6 HA.5
24 8.232 4.276 1 T 3.476e+05 0.00e+00 a 0 H.7 HA.7
25 8.244 4.347 1 T 1.408e+06 0.00e+00 a 0 H.7 HA.6
26 8.244 3.883 1 T 9.845e+05 0.00e+00 a 0 H.7 HB2.6
27 8.244 3.742 1 T 2.542e+05 0.00e+00 a 0 H.7 HB3.6
28 8.244 1.777 1 T 8.111e+05 0.00e+00 a 0 H.7 HB.7
29 8.243 1.434 1 T 1.958e+05 0.00e+00 a 0 H.7 HG12.7
30 8.242 0.823 1 T 1.435e+05 0.00e+00 a 0 H.7 QD1.7
30 8.242 0.823 1 T 1.435e+05 0.00e+00 a 0 H.7 QG2.7
31 5.082 4.276 1 T 2.722e+05 0.00e+00 a 0 HA.8 HA.7
32 4.275 5.081 1 T 8.060e+05 0.00e+00 a 0 HA.7 HA.8
33 3.525 5.078 1 T 1.482e+05 0.00e+00 a 0 - -
34 2.439 5.080 1 T 6.467e+05 0.00e+00 a 0 - HA.8
36 2.014 5.084 1 T 4.300e+05 0.00e+00 a 0 - HA.8
37 3.524 1.944 1 T 9.958e+05 0.00e+00 a 0 HD3.8 HG2.8
38 3.528 1.799 1 T 9.226e+05 0.00e+00 a 0 HD2.8 HG3.8
39 3.751 5.081 1 T 1.523e+06 0.00e+00 a 0 HD2.9 HA.8
40 3.689 5.081 1 T 1.254e+06 0.00e+00 a 0 HD3.9 HA.8
41 3.754 4.029 1 T 3.378e+05 0.00e+00 a 0 - -
42 3.691 4.026 1 T 1.186e+05 0.00e+00 a 0 - -
43 3.687 1.482 1 T 1.469e+05 0.00e+00 a 0 HD3.9 HB3.9
44 4.026 1.473 1 T 3.340e+05 0.00e+00 a 0 HA.9 HB3.9
45 4.030 2.223 1 T 1.039e+06 0.00e+00 a 0 HA.9 HB2.9
46 4.033 2.111 1 T 1.421e+05 0.00e+00 a 0 HA.9 HG2.9
47 3.758 2.222 1 T 1.954e+05 0.00e+00 a 0 HD2.9 HB2.9
48 3.687 2.219 1 T 1.407e+05 0.00e+00 a 0 HD3.9 HB2.9
49 3.755 2.113 1 T 1.583e+06 0.00e+00 a 0 HD2.9 HG2.9
50 3.689 2.111 1 T 1.579e+06 0.00e+00 a 0 HD3.9 HG2.9
51 7.306 4.320 1 T 7.308e+05 0.00e+00 a 0 H.10 HA.10
52 7.304 4.031 1 T 2.458e+06 0.00e+00 a 0 H.10 HA.9
54 7.304 1.462 1 T 8.890e+05 0.00e+00 a 0 H.10 HB3.10
55 8.605 5.417 1 T 7.462e+05 0.00e+00 a 0 H.11 HA.11
56 8.598 4.317 1 T 2.208e+06 0.00e+00 a 0 H.11 HA.10
57 8.601 3.157 1 T 1.232e+05 0.00e+00 a 0 H.11 HB2.11
58 8.598 2.971 1 T 4.858e+05 0.00e+00 a 0 H.11 HB3.11
61 8.902 5.414 1 T 2.594e+06 0.00e+00 a 0 H.12 HA.11
62 8.903 3.406 1 T 1.995e+05 0.00e+00 a 0 H.12 HB2.12
63 8.902 2.963 1 T 1.271e+06 0.00e+00 a 0 H.12 HB3.12
64 8.902 3.163 1 T 6.258e+05 0.00e+00 a 0 H.12 HB2.11
65 8.902 5.695 1 T 2.375e+05 0.00e+00 a 0 H.12 HA.3
66 8.779 5.415 1 T 1.913e+05 0.00e+00 a 0 H.4 HA.11
67 4.079 4.420 1 T 2.115e+05 0.00e+00 a 0 HD3.13 HA.13
68 4.077 2.216 1 T 8.419e+05 0.00e+00 a 0 HD2.13 HG2.13
69 4.086 2.104 1 T 5.422e+05 0.00e+00 a 0 HD2.13 HG3.13
70 4.076 2.025 1 T 2.784e+05 0.00e+00 a 0 HD2.13 HB3.13
71 2.468 4.093 1 T 1.745e+05 0.00e+00 a 0 - -
72 2.468 4.417 1 T 8.275e+05 0.00e+00 a 0 HB2.13 HA.13
73 2.102 4.418 1 T 1.946e+05 0.00e+00 a 0 - -
74 2.212 4.409 1 T 1.690e+05 0.00e+00 a 0 HG2.13 HA.13
75 2.216 4.077 1 T 1.236e+06 0.00e+00 a 0 HG2.13 HD2.13
76 2.111 4.080 1 T 6.423e+05 0.00e+00 a 0 - -
77 2.030 4.077 1 T 5.543e+05 0.00e+00 a 0 HB3.13 HD2.13
78 4.078 4.954 1 T 2.155e+06 0.00e+00 a 0 HD3.13 HA.12
79 7.821 4.533 1 T 5.908e+05 0.00e+00 a 0 H.14 HA.14
80 7.821 4.418 1 T 1.872e+05 0.00e+00 a 0 H.14 HA.13
81 7.821 4.074 1 T 2.861e+05 0.00e+00 a 0 H.14 HD2.13
82 7.821 3.127 1 T 1.602e+05 0.00e+00 a 0 H.14 HB2.14
83 7.822 2.736 1 T 6.779e+05 0.00e+00 a 0 H.14 HB3.14
84 1.648 8.558 1 T 4.577e+05 0.00e+00 a 0 - -
85 7.219 2.963 1 T 8.129e+05 0.00e+00 a 0 QD.12 HB3.12
86 7.219 3.407 1 T 5.205e+05 0.00e+00 a 0 QD.12 HB2.12
87 7.219 4.953 1 T 2.545e+05 0.00e+00 a 0 QD.12 HA.12
88 7.178 2.964 1 T 1.178e+05 0.00e+00 a 0 QE.12 HB3.12
89 7.420 3.157 1 T 2.463e+05 0.00e+00 a 0 - HB2.11
90 7.420 2.970 1 T 1.054e+06 0.00e+00 a 0 - HB3.11
91 7.419 4.314 1 T 2.029e+05 0.00e+00 a 0 - HA.10
92 7.421 1.481 1 T 7.911e+04 0.00e+00 a 0 - -
93 7.420 8.601 1 T 4.404e+05 0.00e+00 a 0 - H.11
94 7.420 8.831 1 T 3.570e+05 0.00e+00 a 0 - -
95 8.902 4.954 1 T 2.105e+05 0.00e+00 a 0 H.12 HA.12
96 8.557 4.517 1 T 1.656e+06 0.00e+00 a 0 H.5 HA.5
97 8.477 4.534 1 T 2.368e+05 0.00e+00 a 0 H.1 HG2.3
98 8.901 4.309 1 T 1.564e+05 0.00e+00 a 0 H.12 HG3.3
99 7.212 3.878 1 T 7.962e+04 0.00e+00 a 0 H.6 HB2.6
100 7.936 3.718 1 T 1.637e+05 0.00e+00 a 0 H.2 HA3.1
101 7.821 3.407 1 T 4.367e+05 0.00e+00 a 0 H.14 HB2.12
102 7.821 2.962 1 T 3.418e+05 0.00e+00 a 0 H.14 HB3.12
103 7.934 3.145 1 T 8.230e+04 0.00e+00 a 0 H.2 HD3.2
104 7.934 2.963 1 T 2.534e+05 0.00e+00 a 0 H.2 HB3.12
105 8.558 1.503 1 T 9.063e+04 0.00e+00 a 0 H.5 HG2.5
106 8.598 1.458 1 T 3.606e+05 0.00e+00 a 0 H.11 HB2.10
107 8.557 1.298 1 T 1.292e+05 0.00e+00 a 0 H.5 QG2.4
108 8.782 1.466 1 T 1.498e+05 0.00e+00 a 0 H.4 HB2.10
109 8.759 1.859 1 T 2.505e+05 0.00e+00 a 0 H.3 HB3.2
110 8.759 2.019 1 T 9.584e+04 0.00e+00 a 0 H.3 HB2.2
111 8.759 1.621 1 T 1.183e+05 0.00e+00 a 0 H.3 HG2.2
112 7.821 2.026 1 T 2.722e+05 0.00e+00 a 0 H.14 HB3.13
113 8.243 1.044 1 T 9.847e+04 0.00e+00 a 0 H.7 HG13.7
114 7.303 2.226 1 T 1.854e+05 0.00e+00 a 0 H.10 HB2.9
115 7.217 2.022 1 T 2.466e+05 0.00e+00 a 0 QD.12 -
116 7.217 1.858 1 T 1.581e+05 0.00e+00 a 0 QD.12 HB3.2
117 7.214 1.294 1 T 2.503e+05 0.00e+00 a 0 H.6 QG2.4
118 7.172 1.296 1 T 4.534e+05 0.00e+00 a 0 - -
119 7.305 1.292 1 T 1.464e+05 0.00e+00 a 0 H.10 QG2.4
121 8.903 7.217 1 T 2.901e+05 0.00e+00 a 0 H.12 H.6
122 8.781 7.305 1 T 5.466e+05 0.00e+00 a 0 H.4 H.10
123 8.557 7.215 1 T 3.948e+05 0.00e+00 a 0 H.5 H.6
124 8.598 7.420 1 T 1.354e+05 0.00e+00 a 0 H.11 -
125 8.477 7.936 1 T 6.307e+05 0.00e+00 a 0 H.1 H.2
126 8.478 7.822 1 T 6.689e+05 0.00e+00 a 0 H.1 H.14
127 5.695 5.414 1 T 1.361e+06 0.00e+00 a 0 HA.3 HA.11
128 5.694 4.528 1 T 8.631e+04 0.00e+00 a 0 HA.3 HG2.3
129 5.694 4.309 1 T 5.083e+05 0.00e+00 a 0 HA.3 HG3.3
130 5.693 3.163 1 T 1.202e+05 0.00e+00 a 0 HA.3 -
131 5.695 2.641 1 T 3.743e+05 0.00e+00 a 0 HA.3 HB2.3
132 5.694 2.244 1 T 6.921e+05 0.00e+00 a 0 HA.3 HB3.3
133 5.413 4.310 1 T 2.877e+05 0.00e+00 a 0 HA.11 HG3.3
134 5.391 2.969 1 T 2.594e+05 0.00e+00 a 0 HA.11 HB3.11
135 5.412 3.189 1 T 2.603e+05 0.00e+00 a 0 - -
136 5.439 3.161 1 T 3.101e+05 0.00e+00 a 0 HA.11 HB2.11
137 5.384 3.161 1 T 1.814e+05 0.00e+00 a 0 - -
138 5.413 3.138 1 T 2.274e+05 0.00e+00 a 0 - -
139 5.083 3.751 1 T 2.432e+05 0.00e+00 a 0 HA.8 HD2.9
140 5.081 3.697 1 T 1.509e+05 0.00e+00 a 0 HA.8 HD3.9
141 5.069 2.436 1 T 1.658e+05 0.00e+00 a 0 HA.8 HB2.8
142 5.077 2.018 1 T 7.307e+04 0.00e+00 a 0 HA.8 HB3.8
143 4.539 4.307 1 T 1.555e+06 0.00e+00 a 0 HG2.3 HG3.3
144 4.542 2.640 1 T 8.386e+04 0.00e+00 a 0 HG2.3 HB2.3
145 4.481 1.299 1 T 2.657e+05 0.00e+00 a 0 HB.4 QG2.4
145 4.481 1.299 1 T 2.657e+05 0.00e+00 a 0 HA.4 QG2.4
146 4.418 2.470 1 T 2.539e+05 0.00e+00 a 0 HA.13 HB2.13
147 4.414 2.027 1 T 1.365e+05 0.00e+00 a 0 HA.13 HB3.13
148 4.087 2.465 1 T 1.038e+05 0.00e+00 a 0 HD3.13 HB2.13
149 3.759 1.476 1 T 1.062e+05 0.00e+00 a 0 HD2.9 HB3.9
150 4.354 3.883 1 T 2.492e+05 0.00e+00 a 0 HA.6 HB2.6
151 4.356 3.740 1 T 3.515e+05 0.00e+00 a 0 HA.6 HB3.6
152 4.456 3.720 1 T 1.799e+06 0.00e+00 a 0 HA2.1 HA3.1
153 4.311 3.163 1 T 3.862e+05 0.00e+00 a 0 - -
154 4.303 2.638 1 T 1.340e+05 0.00e+00 a 0 HG3.3 HB2.3
155 4.314 2.246 1 T 1.194e+05 0.00e+00 a 0 HG3.3 HB3.3
156 4.274 0.820 1 T 3.864e+05 0.00e+00 a 0 HA.7 QG2.7
156 4.274 0.820 1 T 3.864e+05 0.00e+00 a 0 HA.7 QD1.7
157 4.308 1.458 1 T 4.348e+05 0.00e+00 a 0 HA.10 HB2.10
158 4.274 1.041 1 T 1.320e+05 0.00e+00 a 0 HA.7 HG13.7
159 4.076 3.407 1 T 1.121e+06 0.00e+00 a 0 HD3.13 HB2.12
160 3.685 2.439 1 T 1.478e+05 0.00e+00 a 0 HD3.9 HB2.8
161 3.685 2.013 1 T 3.313e+05 0.00e+00 a 0 HD3.9 HB3.8
162 3.536 2.440 1 T 1.082e+05 0.00e+00 a 0 HD2.8 HB2.8
164 3.169 1.861 1 T 1.427e+05 0.00e+00 a 0 HD3.2 HB3.2
165 3.167 1.619 1 T 8.677e+05 0.00e+00 a 0 HD3.2 HG3.2
166 3.029 1.257 1 T 4.183e+05 0.00e+00 a 0 HD3.10 HG3.10
167 2.995 1.686 1 T 7.282e+05 0.00e+00 a 0 - -
168 3.151 2.971 1 T 1.287e+07 0.00e+00 a 0 HB2.11 HB3.11
173 3.130 2.736 1 T -7.380e+06 0.00e+00 a 0 HB2.14 HB3.14
174 2.637 2.245 1 T 4.018e+06 0.00e+00 a 0 HB2.3 HB3.3
175 1.446 1.256 1 T 4.142e+06 0.00e+00 a 0 HB2.10 HG3.10
176 1.364 1.252 1 T 6.067e+06 0.00e+00 a 0 HG2.10 HG3.10
177 1.031 0.826 1 T 6.778e+06 0.00e+00 a 0 HG13.7 QD1.7
177 1.031 0.826 1 T 6.778e+06 0.00e+00 a 0 HG13.7 QG2.7
178 1.441 0.826 1 T 2.118e+06 0.00e+00 a 0 HG12.7 QD1.7
179 1.774 0.821 1 T 1.519e+03 0.00e+00 a 0 HB.7 QG2.7
179 1.774 0.821 1 T 1.519e+03 0.00e+00 a 0 HB.7 QD1.7
180 1.644 1.414 1 T 2.669e+06 0.00e+00 a 0 - -
181 1.682 1.504 1 T 3.807e+06 0.00e+00 a 0 HD2.5 HG2.5
182 2.218 1.486 1 T 1.681e+06 0.00e+00 a 0 HB2.9 HB3.9
183 2.212 2.107 1 T 1.834e+07 0.00e+00 a 0 HB2.9 HG3.9
184 1.848 1.636 1 T 4.725e+06 0.00e+00 a 0 HB3.2 HG2.2
185 1.937 1.799 1 T 9.297e+06 0.00e+00 a 0 HG2.8 HG3.8
186 2.009 1.859 1 T 7.077e+06 0.00e+00 a 0 HB2.2 HB3.2
187 2.120 1.489 1 T 1.394e+06 0.00e+00 a 0 HG2.9 HB3.9
188 3.412 2.964 1 T 5.092e+05 0.00e+00 a 0 HB2.12 HB3.12
189 3.876 3.741 1 T 9.080e+06 0.00e+00 a 0 HB2.6 HB3.6
190 7.167 1.457 1 T 1.522e+05 0.00e+00 a 0 - -
191 7.177 3.405 1 T 7.462e+04 0.00e+00 a 0 - -
193 7.935 8.478 1 T 9.283e+05 0.00e+00 a 0 - -
194 7.822 8.480 1 T 9.112e+05 0.00e+00 a 0 - -
195 7.305 8.782 1 T 6.010e+05 0.00e+00 a 0 - -
196 7.307 8.597 1 T 1.054e+05 0.00e+00 a 0 - -
197 8.902 7.937 1 T 7.272e+04 0.00e+00 a 0 - -
199 5.413 5.694 1 T 9.177e+05 0.00e+00 a 0 HA.11 HA.3
200 5.414 8.903 1 T 1.133e+06 0.00e+00 a 0 HA.11 H.12
201 5.403 8.598 1 T 5.673e+05 0.00e+00 a 0 HA.11 H.11
202 5.694 8.904 1 T 1.637e+05 0.00e+00 a 0 HA.3 H.12
203 5.691 8.779 1 T 1.851e+06 0.00e+00 a 0 HA.3 H.4
204 5.417 8.776 1 T 6.936e+04 0.00e+00 a 0 HA.11 H.4
205 4.976 2.962 1 T 1.644e+05 0.00e+00 a 0 - -
206 4.947 4.078 1 T 1.173e+05 0.00e+00 a 0 - -
207 5.166 3.742 1 T 6.417e+04 0.00e+00 a 0 - -
208 8.479 2.966 1 T 7.792e+04 0.00e+00 a 0 - -
209 7.680 1.862 1 T 6.116e+04 0.00e+00 a 0 - -
210 8.268 6.287 1 T 1.484e+05 0.00e+00 a 0 - -
211 4.305 4.534 1 T 1.990e+06 0.00e+00 a 0 HG3.3 HG2.3
212 3.875 4.349 1 T 8.634e+05 0.00e+00 a 0 HB2.6 HA.6
213 3.132 4.532 1 T 5.050e+05 0.00e+00 a 0 HB2.14 HA.14
214 2.736 4.532 1 T 3.366e+05 0.00e+00 a 0 HB3.14 HA.14
215 3.407 4.076 1 T 1.186e+06 0.00e+00 a 0 HB2.12 HD2.13
216 3.406 4.957 1 T 4.831e+05 0.00e+00 a 0 HB2.12 HA.12
217 3.733 4.440 1 T 3.701e+06 0.00e+00 a 0 - -
218 3.699 4.439 1 T 3.776e+06 0.00e+00 a 0 - -
219 3.714 4.436 1 T 3.998e+06 0.00e+00 a 0 HA3.1 HA2.1
220 3.748 4.350 1 T 8.070e+05 0.00e+00 a 0 HB3.6 HA.6
221 3.750 4.273 1 T 5.026e+05 0.00e+00 a 0 - -
222 3.172 4.308 1 T 8.278e+05 0.00e+00 a 0 - -
223 3.148 4.309 1 T 9.381e+05 0.00e+00 a 0 - -
225 2.978 4.310 1 T 4.003e+05 0.00e+00 a 0 HB3.11 HG3.3
226 2.640 4.311 1 T 2.873e+05 0.00e+00 a 0 HB2.3 HG3.3
227 3.160 5.409 1 T 2.964e+05 0.00e+00 a 0 HB2.11 HA.11
228 2.980 5.413 1 T 5.295e+05 0.00e+00 a 0 HB3.11 HA.11
229 2.260 4.531 1 T 3.541e+05 0.00e+00 a 0 - -
230 2.222 4.535 1 T 3.933e+05 0.00e+00 a 0 - -
231 2.038 4.519 1 T 4.643e+05 0.00e+00 a 0 HB2.5 HA.5
232 2.634 4.537 1 T 6.112e+05 0.00e+00 a 0 HB2.3 HG2.3
233 2.012 4.397 1 T 4.668e+05 0.00e+00 a 0 - -
234 1.858 4.385 1 T 3.344e+05 0.00e+00 a 0 - -
235 1.457 4.316 1 T 7.717e+05 0.00e+00 a 0 HB2.10 HA.10
236 1.296 4.484 1 T 2.465e+06 0.00e+00 a 0 QG2.4 -
237 0.820 4.276 1 T 1.251e+06 0.00e+00 a 0 - HA.7
238 0.817 5.080 1 T 8.075e+05 0.00e+00 a 0 - HA.8
239 2.245 5.693 1 T 5.067e+05 0.00e+00 a 0 HB3.3 HA.3
240 2.630 5.693 1 T 2.798e+05 0.00e+00 a 0 HB2.3 HA.3
242 2.257 4.308 1 T 2.733e+05 0.00e+00 a 0 - -
243 2.224 4.307 1 T 3.115e+05 0.00e+00 a 0 - -
244 2.244 4.309 1 T 2.947e+05 0.00e+00 a 0 HB3.3 HG3.3
245 1.939 3.534 1 T 1.284e+06 0.00e+00 a 0 HG2.8 HD3.8
246 1.801 3.542 1 T 9.547e+05 0.00e+00 a 0 HG3.8 HD2.8
247 2.107 3.700 1 T 1.297e+06 0.00e+00 a 0 - -
248 2.109 3.756 1 T 1.775e+06 0.00e+00 a 0 - -
249 2.021 3.683 1 T 4.337e+05 0.00e+00 a 0 - -
250 1.610 3.161 1 T 6.509e+05 0.00e+00 a 0 HG2.2 HD3.2
251 1.720 3.024 1 T 5.950e+05 0.00e+00 a 0 - -
252 2.977 3.161 1 T 9.992e+06 0.00e+00 a 0 HB3.11 HB2.11
253 2.965 3.415 1 T 1.074e+06 0.00e+00 a 0 HB3.12 HB2.12
254 2.734 3.130 1 T -6.962e+06 0.00e+00 a 0 HB3.14 HB2.14
255 2.252 2.635 1 T 3.790e+06 0.00e+00 a 0 HB3.3 HB2.3
256 2.235 2.633 1 T 4.262e+06 0.00e+00 a 0 HB3.3 HB2.3
257 2.214 2.463 1 T 7.364e+05 0.00e+00 a 0 HG2.13 HB2.13
258 2.098 2.465 1 T 8.528e+05 0.00e+00 a 0 HG3.13 HB2.13
259 2.008 2.444 1 T 5.128e+06 0.00e+00 a 0 HB3.8 HB2.8
260 1.933 2.434 1 T 9.626e+05 0.00e+00 a 0 HG2.8 HB2.8
261 1.787 2.432 1 T 8.371e+05 0.00e+00 a 0 HG3.8 HB2.8
262 1.867 2.019 1 T 8.169e+06 0.00e+00 a 0 HB3.2 HB2.2
263 1.806 1.941 1 T 7.898e+06 0.00e+00 a 0 HG3.8 HG2.8
264 1.652 2.019 1 T 1.341e+06 0.00e+00 a 0 HB3.5 -
265 2.054 1.655 1 T 1.358e+06 0.00e+00 a 0 - -
266 1.650 1.859 1 T 4.204e+06 0.00e+00 a 0 - -
267 1.513 1.689 1 T 5.625e+06 0.00e+00 a 0 - -
268 1.423 1.667 1 T 3.647e+06 0.00e+00 a 0 - -
269 1.038 1.489 1 T 5.625e+05 0.00e+00 a 0 - -
270 1.084 1.430 1 T 1.468e+05 0.00e+00 a 0 - -
271 0.999 1.427 1 T 1.958e+05 0.00e+00 a 0 - -
272 1.038 1.386 1 T 1.090e+06 0.00e+00 a 0 - -
273 1.432 1.093 1 T 6.294e+05 0.00e+00 a 0 - -
274 1.474 1.045 1 T 2.154e+05 0.00e+00 a 0 - -
275 1.397 1.043 1 T 6.073e+05 0.00e+00 a 0 - -
276 1.432 0.988 1 T 7.024e+05 0.00e+00 a 0 - -
277 1.264 1.451 1 T 4.826e+06 0.00e+00 a 0 HG3.10 HB2.10
278 1.297 1.586 1 T 4.607e+05 0.00e+00 a 0 - -
279 1.296 1.548 1 T 5.178e+05 0.00e+00 a 0 - -
280 0.830 1.040 1 T 1.010e+07 0.00e+00 a 0 - -
281 0.822 1.431 1 T 3.344e+06 0.00e+00 a 0 - -
282 0.839 1.776 1 T 5.041e+05 0.00e+00 a 0 - -
283 0.796 1.770 1 T 3.552e+05 0.00e+00 a 0 - -
284 2.035 0.939 1 T 1.115e+06 0.00e+00 a 0 - -
285 2.054 0.888 1 T 6.193e+05 0.00e+00 a 0 - -
286 2.447 1.804 1 T 5.975e+05 0.00e+00 a 0 - -
287 2.464 2.024 1 T 3.798e+06 0.00e+00 a 0 - -
288 4.030 7.305 1 T 2.103e+06 0.00e+00 a 0 HA.9 H.10
289 3.875 8.245 1 T 7.206e+05 0.00e+00 a 0 HB2.6 H.7
290 3.743 8.245 1 T 4.576e+05 0.00e+00 a 0 HB3.6 H.7
291 4.346 8.246 1 T 3.593e+05 0.00e+00 a 0 HA.6 H.7
292 4.315 8.599 1 T 5.718e+05 0.00e+00 a 0 HA.10 H.11
293 4.384 8.759 1 T 4.261e+05 0.00e+00 a 0 HA.2 H.3
294 2.959 7.219 1 T 4.414e+05 0.00e+00 a 0 HB3.12 QD.12
295 3.420 7.218 1 T 2.508e+05 0.00e+00 a 0 HB2.12 QD.12
296 3.394 7.219 1 T 2.262e+05 0.00e+00 a 0 - -
297 3.419 7.823 1 T 2.254e+05 0.00e+00 a 0 HB2.12 H.14
298 3.394 7.823 1 T 2.214e+05 0.00e+00 a 0 - -
299 1.295 7.174 1 T 5.312e+05 0.00e+00 a 0 QG2.4 QE.12
300 1.295 8.559 1 T 2.294e+05 0.00e+00 a 0 - -
301 2.031 8.108 1 T 1.974e+05 0.00e+00 a 0 - -
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . 12 ppm . . . 4.7 . . 30669 1
2 . . H 1 H . . 12 ppm . . . 4.7 . . 30669 1
stop_
save_