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 30994
_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 4.289 3.808 1 T 5.783e+09 0.00e+00 a 0 HA.5 HD2.5
2 4.292 3.642 1 T 7.556e+09 0.00e+00 a 0 HA.5 HD3.5
3 4.284 2.138 1 T 3.007e+10 0.00e+00 a 0 HA.5 HB2.5
4 4.282 2.010 1 T 6.011e+09 0.00e+00 a 0 HA.5 HB3.5
5 4.287 1.883 1 T 7.808e+09 0.00e+00 a 0 HA.5 HG2.5
6 4.283 1.799 1 T 1.400e+10 0.00e+00 a 0 HA.5 HG3.5
7 8.438 4.189 1 T 2.450e+10 0.00e+00 a 0 H.6 HA.6
8 8.436 3.685 1 T 8.727e+09 0.00e+00 a 0 H.6 HB2.6
9 8.437 3.611 1 T 1.146e+10 0.00e+00 a 0 H.6 HB3.6
11 7.787 4.612 1 T 1.294e+10 0.00e+00 a 0 H.7 HA.7
12 7.787 2.656 1 T 7.590e+09 0.00e+00 a 0 H.7 HB2.7
13 7.781 2.291 1 T 1.571e+10 0.00e+00 a 0 H.7 HB3.7
15 7.966 4.425 1 T 1.484e+10 0.00e+00 a 0 H.1 HA.1
16 7.962 2.347 1 T 4.524e+10 0.00e+00 a 0 H.1 HB2.1
17 7.963 2.288 1 T 2.133e+10 0.00e+00 a 0 H.1 HB3.1
20 7.244 6.835 1 T 3.374e+11 0.00e+00 a 0 HD21.1 HD22.1
21 6.836 7.239 1 T 3.805e+11 0.00e+00 a 0 HD22.1 HD21.1
25 8.444 8.011 1 T 1.151e+10 0.00e+00 a 0 H.2 H.1
26 8.469 4.068 1 T 1.365e+10 0.00e+00 a 0 H.2 HA.2
27 8.473 2.931 1 T 9.973e+09 0.00e+00 a 0 H.2 HB3.2
28 8.469 2.768 1 T 2.040e+10 0.00e+00 a 0 H.2 HB2.2
29 8.034 4.436 1 T 1.353e+10 0.00e+00 a 0 H.3 HA.3
30 8.029 2.530 1 T 1.634e+10 0.00e+00 a 0 H.3 HB2.3
31 8.032 2.541 1 T 1.664e+10 0.00e+00 a 0 H.3 HB3.3
32 7.217 6.819 1 T 3.489e+11 0.00e+00 a 0 HD21.3 HD22.3
33 6.827 7.228 1 T 4.073e+11 0.00e+00 a 0 HD22.3 HD21.3
38 7.011 6.661 1 T 6.151e+10 0.00e+00 a 0 HD1.2 HE1.2
39 6.659 7.017 1 T 5.260e+10 0.00e+00 a 0 HE1.2 HD1.2
45 7.122 4.434 1 T 2.938e+10 0.00e+00 a 0 H.4 HA.4
46 7.122 2.136 1 T 1.342e+10 0.00e+00 a 0 H.4 HG3.4
47 7.125 2.136 1 T 1.292e+10 0.00e+00 a 0 H.4 HG2.4
48 7.123 1.924 1 T 1.224e+10 0.00e+00 a 0 H.4 HB2.4
49 7.130 1.795 1 T 2.232e+10 0.00e+00 a 0 H.4 HB3.4
50 4.069 8.472 1 T 1.246e+10 0.00e+00 a 0 HA.2 H.2
51 2.928 8.472 1 T 5.766e+09 0.00e+00 a 0 HB3.2 H.2
52 2.770 8.472 1 T 1.072e+10 0.00e+00 a 0 HB2.2 H.2
53 4.190 8.439 1 T 2.263e+10 0.00e+00 a 0 HA.6 H.6
54 4.437 8.027 1 T 1.891e+10 0.00e+00 a 0 HA.3 H.3
55 2.551 8.030 1 T 1.073e+10 0.00e+00 a 0 HB3.3 H.3
56 2.529 8.026 1 T 1.783e+10 0.00e+00 a 0 HB2.3 H.3
57 4.431 7.965 1 T 1.545e+10 0.00e+00 a 0 HA.1 H.1
58 2.349 7.963 1 T 3.490e+10 0.00e+00 a 0 HB2.1 H.1
59 2.259 7.963 1 T 1.636e+10 0.00e+00 a 0 HB3.1 H.1
60 4.610 7.782 1 T 1.500e+10 0.00e+00 a 0 HA.7 H.7
61 2.642 7.783 1 T 6.518e+09 0.00e+00 a 0 HB2.7 H.7
62 2.294 7.784 1 T 7.677e+09 0.00e+00 a 0 HB3.7 H.7
64 4.437 7.126 1 T 2.752e+10 0.00e+00 a 0 HA.4 H.4
65 2.133 7.128 1 T 1.095e+10 0.00e+00 a 0 HG2.4 H.4
66 1.923 7.128 1 T 9.874e+09 0.00e+00 a 0 HB2.4 H.4
67 1.804 7.129 1 T 1.160e+10 0.00e+00 a 0 HB3.4 H.4
72 1.440 7.088 1 T 8.879e+09 0.00e+00 a 0 HG1.8 HN.8
73 1.208 7.088 1 T 8.686e+09 0.00e+00 a 0 HD1.8 HN.8
74 2.260 7.243 1 T 7.267e+09 0.00e+00 a 0 HB3.1 HD21.1
75 4.617 2.655 1 T 2.151e+10 0.00e+00 a 0 HA.7 HB2.7
76 4.612 2.289 1 T 1.400e+10 0.00e+00 a 0 HA.7 HB3.7
77 4.066 2.934 1 T 2.213e+10 0.00e+00 a 0 HA.2 HB3.2
78 4.065 2.770 1 T 2.036e+10 0.00e+00 a 0 HA.2 HB2.2
79 4.428 2.342 1 T 1.626e+10 0.00e+00 a 0 HA.1 HB2.1
80 4.426 2.256 1 T 1.705e+10 0.00e+00 a 0 HA.1 HB3.1
81 4.437 2.132 1 T 1.407e+10 0.00e+00 a 0 HA.4 HG2.4
82 4.432 1.922 1 T 1.515e+10 0.00e+00 a 0 HA.4 HB2.4
83 4.427 1.793 1 T 1.303e+10 0.00e+00 a 0 HA.4 HB3.4
84 4.440 2.529 1 T 3.680e+10 0.00e+00 a 0 HA.3 HB2.3
85 4.189 3.689 1 T 2.277e+10 0.00e+00 a 0 HA.6 HB2.6
86 4.189 3.614 1 T 1.581e+10 0.00e+00 a 0 HA.6 HB3.6
87 4.441 2.538 1 T 3.585e+10 0.00e+00 a 0 HA.3 HB3.3
88 2.641 4.614 1 T 1.197e+10 0.00e+00 a 0 HB2.7 HA.7
89 2.290 4.613 1 T 4.887e+09 0.00e+00 a 0 HB3.7 HA.7
90 2.524 4.437 1 T 2.384e+10 0.00e+00 a 0 HB3.3 HA.3
91 2.528 4.438 1 T 2.302e+10 0.00e+00 a 0 HB2.3 HA.3
92 2.340 4.426 1 T 1.424e+10 0.00e+00 a 0 HB2.1 HA.1
93 2.263 4.426 1 T 1.380e+10 0.00e+00 a 0 HB3.1 HA.1
94 2.131 4.435 1 T 1.328e+10 0.00e+00 a 0 HG2.4 HA.4
95 1.918 4.433 1 T 1.226e+10 0.00e+00 a 0 HB2.4 HA.4
96 1.804 4.434 1 T 1.175e+10 0.00e+00 a 0 HB3.4 HA.4
97 2.141 4.286 1 T 2.049e+10 0.00e+00 a 0 HB2.5 HA.5
98 2.000 4.289 1 T 7.941e+09 0.00e+00 a 0 HB3.5 HA.5
99 1.874 4.286 1 T 1.004e+10 0.00e+00 a 0 HG2.5 HA.5
100 1.806 4.285 1 T 9.190e+09 0.00e+00 a 0 HG3.5 HA.5
101 2.929 4.069 1 T 8.998e+09 0.00e+00 a 0 HB3.2 HA.2
102 2.763 4.067 1 T 8.875e+09 0.00e+00 a 0 HB2.2 HA.2
103 2.134 3.808 1 T 7.476e+09 0.00e+00 a 0 HB2.5 HD2.5
104 1.992 3.808 1 T 1.325e+10 0.00e+00 a 0 HB3.5 HD2.5
105 1.878 3.809 1 T 1.461e+10 0.00e+00 a 0 HG2.5 HD2.5
106 1.807 3.809 1 T 8.043e+09 0.00e+00 a 0 HG3.5 HD2.5
107 2.130 3.642 1 T 8.872e+09 0.00e+00 a 0 HB2.5 HD3.5
108 1.997 3.645 1 T 1.652e+10 0.00e+00 a 0 HB3.5 HD3.5
109 1.879 3.646 1 T 1.520e+10 0.00e+00 a 0 HG2.5 HD3.5
110 1.806 3.645 1 T 1.348e+10 0.00e+00 a 0 HG3.5 HD3.5
111 2.139 1.995 1 T 4.499e+10 0.00e+00 a 0 HB2.5 HB3.5
112 2.134 1.879 1 T 3.301e+10 0.00e+00 a 0 HB2.5 HG2.5
113 1.992 1.876 1 T 1.413e+11 0.00e+00 a 0 HB3.5 HG2.5
114 2.132 1.795 1 T 9.064e+10 0.00e+00 a 0 HB2.5 HG3.5
115 2.121 1.796 1 T 7.559e+10 0.00e+00 a 0 HG2.4 HB3.4
116 1.997 1.795 1 T 4.975e+10 0.00e+00 a 0 HB3.5 HG3.5
117 1.931 2.136 1 T 6.119e+10 0.00e+00 a 0 HB2.4 HG3.4
118 1.873 2.139 1 T 3.504e+10 0.00e+00 a 0 HG2.5 HB2.5
119 1.994 2.136 1 T 4.684e+10 0.00e+00 a 0 HB3.5 HB2.5
120 1.802 2.135 1 T 7.576e+10 0.00e+00 a 0 HG3.5 HB2.5
121 2.133 1.927 1 T 5.869e+10 0.00e+00 a 0 HG3.4 HB2.4
122 1.796 1.996 1 T 3.710e+10 0.00e+00 a 0 HG3.5 HB3.5
123 1.879 1.993 1 T 1.364e+11 0.00e+00 a 0 HG2.5 HB3.5
124 1.908 1.796 1 T 1.021e+11 0.00e+00 a 0 HG2.5 HG3.5
125 1.803 1.920 1 T 1.097e+11 0.00e+00 a 0 HG3.5 HG2.5
126 8.442 4.284 1 T 5.354e+10 0.00e+00 a 0 H.6 HA.5
127 8.444 7.785 1 T 1.289e+10 0.00e+00 a 0 H.6 H.7
128 7.777 4.189 1 T 2.542e+10 0.00e+00 a 0 H.7 HA.6
131 7.246 2.346 1 T 5.708e+09 0.00e+00 a 0 HD21.1 HB2.1
132 7.248 2.254 1 T 6.589e+09 0.00e+00 a 0 HD21.1 HB3.1
133 6.837 2.344 1 T 5.759e+09 0.00e+00 a 0 HD22.1 HB2.1
134 6.836 2.247 1 T 6.275e+09 0.00e+00 a 0 HD22.1 HB3.1
135 8.468 7.964 1 T 8.589e+09 0.00e+00 a 0 H.2 H.1
136 7.226 2.531 1 T 5.638e+09 0.00e+00 a 0 HD21.3 HB2.3
137 6.824 2.539 1 T 8.597e+09 0.00e+00 a 0 HD22.3 HB3.3
138 8.030 2.764 1 T 4.388e+09 0.00e+00 a 0 H.3 HB2.2
139 8.022 2.932 1 T 3.614e+09 0.00e+00 a 0 H.3 HB3.2
140 8.475 2.348 1 T 4.117e+09 0.00e+00 a 0 H.2 HB2.1
141 8.467 2.246 1 T 4.182e+09 0.00e+00 a 0 H.2 HB3.1
142 7.015 2.771 1 T 8.534e+09 0.00e+00 a 0 HD1.2 HB2.2
143 7.013 2.933 1 T 1.108e+10 0.00e+00 a 0 HD1.2 HB3.2
144 7.016 4.070 1 T 5.664e+09 0.00e+00 a 0 HD1.2 HA.2
145 8.472 4.427 1 T 3.592e+10 0.00e+00 a 0 H.2 HA.1
146 7.021 4.433 1 T 4.220e+09 0.00e+00 a 0 HD1.2 HA.1
147 8.470 8.032 1 T 1.570e+10 0.00e+00 a 0 H.2 H.3
148 8.027 8.466 1 T 1.508e+10 0.00e+00 a 0 H.3 H.2
149 7.964 8.468 1 T 7.652e+09 0.00e+00 a 0 H.1 H.2
150 7.776 8.443 1 T 1.099e+10 0.00e+00 a 0 H.7 H.6
151 8.032 7.128 1 T 1.937e+10 0.00e+00 a 0 H.3 H.4
154 8.034 4.072 1 T 9.603e+09 0.00e+00 a 0 H.3 HA.2
155 7.126 2.530 1 T 6.207e+09 0.00e+00 a 0 H.4 HB2.3
156 8.445 2.139 1 T 6.891e+09 0.00e+00 a 0 H.6 HB2.5
157 8.436 1.800 1 T 6.776e+09 0.00e+00 a 0 H.6 HG3.5
159 4.435 3.808 1 T 4.329e+10 0.00e+00 a 0 HA.4 HD2.5
160 4.434 3.644 1 T 3.535e+10 0.00e+00 a 0 HA.4 HD3.5
161 2.929 2.766 1 T 9.268e+10 0.00e+00 a 0 HB3.2 HB2.2
162 2.766 2.933 1 T 1.135e+11 0.00e+00 a 0 HB2.2 HB3.2
163 7.208 6.758 1 T 3.592e+11 0.00e+00 a 0 HD22.6 HD21.6
164 6.755 7.207 1 T 3.331e+11 0.00e+00 a 0 HD21.6 HD22.6
165 7.089 3.943 1 T 1.367e+10 0.00e+00 a 0 HN.8 HB.8
174 4.188 7.781 1 T 2.982e+10 0.00e+00 a 0 HA.6 H.7
181 4.071 8.032 1 T 8.354e+09 0.00e+00 a 0 HA.2 H.3
182 7.127 8.029 1 T 2.808e+10 0.00e+00 a 0 H.4 H.3
184 7.204 2.654 1 T 4.559e+09 0.00e+00 a 0 HD22.6 HB2.7
185 7.206 2.284 1 T 5.561e+09 0.00e+00 a 0 HD22.6 HB3.7
189 4.285 8.440 1 T 5.802e+10 0.00e+00 a 0 HA.5 H.6
191 4.426 8.471 1 T 4.075e+10 0.00e+00 a 0 HA.1 H.2
193 7.091 2.305 1 T 1.697e+10 0.00e+00 a 0 HN.8 HA2.8
194 7.091 2.347 1 T 1.223e+10 0.00e+00 a 0 HN.8 HA1.8
195 7.090 1.436 1 T 1.029e+10 0.00e+00 a 0 HN.8 HG1.8
196 7.089 1.394 1 T 1.317e+10 0.00e+00 a 0 HN.8 HG2.8
197 7.088 1.230 1 T 5.942e+09 0.00e+00 a 0 HN.8 HD1.8
198 7.091 2.655 1 T 6.054e+09 0.00e+00 a 0 HN.8 HB2.7
199 7.961 1.434 1 T 5.474e+09 0.00e+00 a 0 H.1 HG1.8
200 7.091 4.612 1 T 1.363e+10 0.00e+00 a 0 HN.8 HA.7
201 7.962 3.943 1 T 3.263e+10 0.00e+00 a 0 H.1 HB.8
202 7.783 7.091 1 T 2.093e+10 0.00e+00 a 0 H.7 HN.8
203 7.962 7.091 1 T 7.969e+09 0.00e+00 a 0 H.1 HN.8
204 3.941 2.348 1 T 8.458e+09 0.00e+00 a 0 HB.8 HA1.8
205 3.942 2.309 1 T 6.886e+09 0.00e+00 a 0 HB.8 HA2.8
206 2.349 1.437 1 T 1.784e+10 0.00e+00 a 0 HA1.8 HG1.8
207 2.350 1.397 1 T 1.549e+10 0.00e+00 a 0 HA1.8 HG2.8
208 2.313 1.437 1 T 1.401e+10 0.00e+00 a 0 HA2.8 HG1.8
209 2.313 1.394 1 T 1.034e+10 0.00e+00 a 0 HA2.8 HG2.8
212 1.432 2.349 1 T 1.024e+10 0.00e+00 a 0 HG1.8 HA1.8
213 1.399 2.349 1 T 9.989e+09 0.00e+00 a 0 HG2.8 HA1.8
214 1.393 2.306 1 T 8.283e+09 0.00e+00 a 0 HG2.8 HA2.8
215 1.434 2.305 1 T 8.903e+09 0.00e+00 a 0 HG1.8 HA2.8
216 2.348 3.943 1 T 2.281e+10 0.00e+00 a 0 HA1.8 HB.8
217 2.308 3.943 1 T 1.606e+10 0.00e+00 a 0 HA2.8 HB.8
218 1.395 3.944 1 T 7.187e+09 0.00e+00 a 0 HG2.8 HB.8
219 1.436 3.944 1 T 8.707e+09 0.00e+00 a 0 HG1.8 HB.8
220 1.394 7.091 1 T 8.973e+09 0.00e+00 a 0 HG2.8 HN.8
221 2.350 7.090 1 T 1.550e+10 0.00e+00 a 0 HA1.8 HN.8
222 2.305 7.090 1 T 1.385e+10 0.00e+00 a 0 HA2.8 HN.8
223 3.943 7.088 1 T 5.170e+09 0.00e+00 a 0 HB.8 HN.8
224 4.611 7.089 1 T 2.159e+10 0.00e+00 a 0 HA.7 HN.8
225 3.943 7.961 1 T 8.947e+09 0.00e+00 a 0 HB.8 H.1
226 7.088 7.783 1 T 2.076e+10 0.00e+00 a 0 HN.8 H.7
227 7.088 7.958 1 T 6.241e+09 0.00e+00 a 0 HN.8 H.1
228 2.655 2.290 1 T 3.040e+10 0.00e+00 a 0 HB2.7 HB3.7
229 2.288 2.654 1 T 5.310e+10 0.00e+00 a 0 HB3.7 HB2.7
;
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
2 . . C 13 CA . . 6132.234 ppm . . . 4.76 . . 30994 1
stop_
save_