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 30380
_Spectral_peak_list.ID 1
_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.Experiment_ID 1
_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 3
_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 7.343 4.315 1 T 4.835e+06 0.00e+00 a 0 H.4 HA.4
2 7.343 3.797 1 T 1.260e+06 0.00e+00 a 0 H.4 HB2.4
4 7.348 3.682 1 T 1.925e+06 0.00e+00 a 0 H.4 HB3.4
5 3.795 4.315 1 T 4.289e+06 0.00e+00 a 0 HB2.4 HA.4
6 3.693 4.315 1 T 3.843e+06 0.00e+00 a 0 HB3.4 HA.4
7 3.680 3.797 1 T 8.894e+07 0.00e+00 a 0 HB3.4 HB2.4
8 8.153 3.797 1 T 5.121e+06 0.00e+00 a 0 H.5 HB2.4
9 8.153 3.678 1 T 1.417e+06 0.00e+00 a 0 H.5 HB3.4
10 8.148 4.310 1 T 8.772e+06 0.00e+00 a 0 H.5 HA.4
11 10.081 7.206 1 T 6.288e+06 0.00e+00 a 0 HE1.13 HD1.13
12 10.081 7.418 1 T 1.282e+06 0.00e+00 a 0 HE1.13 HZ2.13
13 7.210 3.345 1 T 1.658e+06 0.00e+00 a 0 HD1.13 HB2.13
14 7.210 3.248 1 T 2.157e+06 0.00e+00 a 0 HD1.13 HB3.13
15 7.210 4.645 1 T 1.102e+06 0.00e+00 a 0 HD1.13 HA.13
16 3.347 4.645 1 T 3.426e+06 0.00e+00 a 0 HB2.13 HA.13
18 3.258 4.645 1 T 2.988e+06 0.00e+00 a 0 HB3.13 HA.13
19 3.263 3.354 1 T 1.265e+08 0.00e+00 a 0 HB3.13 HB2.13
20 7.639 4.640 1 T 1.247e+06 0.00e+00 a 0 HE3.13 HA.13
21 7.639 3.349 1 T 1.315e+06 0.00e+00 a 0 HE3.13 HB2.13
22 7.639 3.252 1 T 1.659e+06 0.00e+00 a 0 HE3.13 HB3.13
23 8.166 4.649 1 T 5.939e+06 0.00e+00 a 0 H.14 HA.13
24 8.175 3.349 1 T 3.498e+06 0.00e+00 a 0 H.14 HB2.13
25 8.166 3.261 1 T 1.457e+06 0.00e+00 a 0 H.14 HB3.13
26 8.165 4.176 1 T 6.810e+06 0.00e+00 a 0 H.14 HA.14
27 8.170 1.757 1 T 3.100e+06 0.00e+00 a 0 H.14 HB2.14
28 8.174 1.647 1 T 3.449e+06 0.00e+00 a 0 H.14 HB3.14
29 8.170 1.496 1 T 1.843e+06 0.00e+00 a 0 H.14 HG3.14
30 1.758 4.176 1 T 5.910e+06 0.00e+00 a 0 HB2.14 HA.14
31 1.643 4.176 1 T 2.367e+05 0.00e+00 a 0 HB3.14 HA.14
32 1.488 4.176 1 T 2.514e+06 0.00e+00 a 0 HG3.14 HA.14
33 1.749 3.048 1 T 1.144e+06 0.00e+00 a 0 HB2.14 HD2.14
34 1.638 3.040 1 T 7.593e+05 0.00e+00 a 0 HB3.14 HD2.14
35 1.488 3.040 1 T 7.888e+06 0.00e+00 a 0 HG2.14 HD2.14
36 1.647 1.748 1 T 6.437e+07 0.00e+00 a 0 HB3.14 HB2.14
37 1.492 1.748 1 T 2.517e+07 0.00e+00 a 0 HG2.14 HB2.14
38 1.492 1.638 1 T 4.309e+07 0.00e+00 a 0 HG3.14 HB3.14
39 1.716 4.211 1 T 2.306e+06 0.00e+00 a 0 HB.5 HA.5
40 1.362 4.207 1 T 1.710e+06 0.00e+00 a 0 HG12.5 HA.5
41 0.964 4.207 1 T 1.460e+06 0.00e+00 a 0 HG13.5 HA.5
42 0.754 4.206 1 T 7.815e+06 0.00e+00 a 0 QD1.5 HA.5
44 7.837 3.950 1 T 2.968e+06 0.00e+00 a 0 H.12 HA.12
45 7.837 1.270 1 T 1.375e+06 0.00e+00 a 0 H.12 HB2.12
46 7.837 0.801 1 T 3.529e+06 0.00e+00 a 0 H.12 HB3.12
47 7.833 0.606 1 T 1.013e+06 0.00e+00 a 0 H.12 HG2.12
48 7.842 0.456 1 T 1.324e+06 0.00e+00 a 0 H.12 HG3.12
49 7.912 3.956 1 T 3.511e+06 0.00e+00 a 0 H.13 HA.12
50 7.912 4.646 1 T 2.825e+06 0.00e+00 a 0 H.13 HA.13
51 2.706 3.957 1 T 3.928e+05 0.00e+00 a 0 HD3.12 HA.12
52 1.264 3.962 1 T 2.746e+06 0.00e+00 a 0 HB2.12 HA.12
53 0.782 3.953 1 T 2.463e+06 0.00e+00 a 0 HB3.12 HA.12
54 0.601 3.953 1 T 1.412e+06 0.00e+00 a 0 HG2.12 HA.12
55 0.460 3.953 1 T 7.504e+05 0.00e+00 a 0 HG3.12 HA.12
56 1.251 2.701 1 T 5.100e+05 0.00e+00 a 0 HB2.12 HD2.12
57 0.796 2.701 1 T 8.233e+05 0.00e+00 a 0 HB3.12 HD3.12
58 0.588 2.701 1 T 1.678e+06 0.00e+00 a 0 HG2.12 HD3.12
59 0.455 2.706 1 T 1.508e+06 0.00e+00 a 0 HG3.12 HD3.12
60 0.610 1.264 1 T 3.893e+06 0.00e+00 a 0 HG2.12 HB2.12
61 0.460 1.264 1 T -3.339e+06 0.00e+00 a 0 - -
62 0.606 0.795 1 T 1.800e+07 0.00e+00 a 0 HG2.12 HB3.12
63 0.455 0.795 1 T -2.256e+05 0.00e+00 a 0 HG3.12 HB3.12
64 0.460 0.596 1 T 4.036e+07 0.00e+00 a 0 HG3.12 HG2.12
65 8.147 0.756 1 T 8.918e+05 0.00e+00 a 0 H.5 QD1.5
66 8.147 0.968 1 T 6.283e+05 0.00e+00 a 0 H.5 HG13.5
67 8.147 1.370 1 T 1.238e+06 0.00e+00 a 0 H.5 HG12.5
68 8.147 1.702 1 T 4.959e+06 0.00e+00 a 0 H.5 HB.5
69 8.143 4.209 1 T 1.667e+06 0.00e+00 a 0 H.5 HA.5
70 8.533 5.152 1 T 2.655e+06 0.00e+00 a 0 H.1 HA.1
71 8.535 3.030 1 T 7.152e+06 0.00e+00 a 0 H.1 HB2.1
72 8.535 2.809 1 T 1.834e+06 0.00e+00 a 0 H.1 HB3.1
73 8.535 4.174 1 T 1.595e+07 0.00e+00 a 0 H.1 HA.14
74 3.025 5.159 1 T 1.834e+06 0.00e+00 a 0 HB2.1 HA.1
75 2.799 5.157 1 T 4.931e+06 0.00e+00 a 0 HB3.1 HA.1
76 4.167 5.149 1 T 9.823e+05 0.00e+00 a 0 - -
77 2.807 3.030 1 T 7.039e+07 0.00e+00 a 0 HB3.1 HB2.1
78 8.537 1.761 1 T 1.030e+06 0.00e+00 a 0 H.1 HB2.14
79 8.540 1.650 1 T 7.585e+05 0.00e+00 a 0 H.1 HB3.14
81 8.540 1.491 1 T 7.768e+05 0.00e+00 a 0 H.1 HG3.14
82 8.579 4.413 1 T 1.973e+06 0.00e+00 a 0 H.2 HB.2
83 8.579 4.270 1 T 3.405e+06 0.00e+00 a 0 H.2 HA.2
84 8.584 1.309 1 T 5.685e+06 0.00e+00 a 0 H.2 QG2.2
85 8.579 5.153 1 T 1.691e+07 0.00e+00 a 0 H.2 HA.1
86 8.581 3.036 1 T 6.680e+05 0.00e+00 a 0 H.2 HB2.1
87 8.579 2.800 1 T 3.627e+06 0.00e+00 a 0 H.2 HB3.1
88 8.394 4.442 1 T 7.017e+06 0.00e+00 a 0 H.3 HA.3
89 8.394 4.411 1 T 7.721e+06 0.00e+00 a 0 H.3 HB.2
90 8.389 4.268 1 T 1.434e+07 0.00e+00 a 0 H.3 HA.2
91 8.393 1.301 1 T 8.773e+06 0.00e+00 a 0 H.3 QB.3
92 8.394 1.314 1 T 8.840e+06 0.00e+00 a 0 H.3 QG2.2
93 4.263 4.411 1 T 6.706e+06 0.00e+00 a 0 HA.2 HB.2
94 1.308 4.274 1 T 5.798e+06 0.00e+00 a 0 QG2.2 HA.2
95 1.315 4.405 1 T 1.202e+07 0.00e+00 a 0 QG2.2 HB.2
96 1.297 4.451 1 T 9.031e+06 0.00e+00 a 0 QB.3 HA.3
97 7.343 4.444 1 T 4.665e+06 0.00e+00 a 0 H.4 HA.3
98 7.346 1.305 1 T 1.209e+06 0.00e+00 a 0 H.4 QB.3
99 2.369 5.013 1 T 4.846e+06 0.00e+00 a 0 HB2.6 HA.6
100 1.945 5.013 1 T 2.537e+06 0.00e+00 a 0 HB3.6 HA.6
101 1.874 5.013 1 T 7.476e+05 0.00e+00 a 0 HG2.6 HA.6
102 1.765 5.010 1 T 6.352e+05 0.00e+00 a 0 HG3.6 HA.6
103 2.380 3.535 1 T 6.635e+05 0.00e+00 a 0 HB2.6 HD2.6
104 2.376 3.436 1 T 1.297e+06 0.00e+00 a 0 HB2.6 HD3.6
105 1.941 3.538 1 T 9.843e+05 0.00e+00 a 0 HB3.6 HD2.6
106 1.945 3.439 1 T 7.061e+05 0.00e+00 a 0 HB3.6 HD3.6
107 1.864 3.432 1 T 5.833e+06 0.00e+00 a 0 HG2.6 HD3.6
108 1.768 3.436 1 T 3.555e+06 0.00e+00 a 0 HG3.6 HD3.6
109 1.871 3.535 1 T 3.427e+06 0.00e+00 a 0 HG2.6 HD2.6
110 1.754 3.531 1 T 3.459e+06 0.00e+00 a 0 HG3.6 HD2.6
111 3.441 3.538 1 T 6.450e+07 0.00e+00 a 0 HD3.6 HD2.6
112 3.728 4.182 1 T 2.347e+06 0.00e+00 a 0 HD2.7 HA.7
113 3.618 4.178 1 T 1.045e+06 0.00e+00 a 0 HD3.7 HA.7
114 2.352 4.178 1 T 4.608e+06 0.00e+00 a 0 HB2.7 HA.7
115 2.033 4.185 1 T 1.011e+06 0.00e+00 a 0 HG2.7 HA.7
116 1.779 4.178 1 T 4.628e+06 0.00e+00 a 0 HB3.7 HA.7
117 1.782 3.733 1 T 7.638e+05 0.00e+00 a 0 HB3.7 HD2.7
118 1.782 3.616 1 T 1.616e+06 0.00e+00 a 0 HB3.7 HD3.7
119 2.037 3.612 1 T 4.637e+06 0.00e+00 a 0 HG2.7 HD3.7
120 2.037 3.729 1 T 5.944e+06 0.00e+00 a 0 HG2.7 HD2.7
121 2.355 3.729 1 T 1.526e+06 0.00e+00 a 0 HB2.7 HD2.7
122 2.362 3.620 1 T 1.782e+06 0.00e+00 a 0 HB2.7 HD3.7
123 3.537 5.010 1 T 3.273e+05 0.00e+00 a 0 HD2.6 HA.6
124 3.445 5.020 1 T 5.772e+05 0.00e+00 a 0 HD3.6 HA.6
125 3.728 5.013 1 T 9.933e+06 0.00e+00 a 0 HD2.7 HA.6
126 3.618 5.017 1 T 6.878e+06 0.00e+00 a 0 HD3.7 HA.6
127 3.614 3.743 1 T 4.797e+07 0.00e+00 a 0 HD3.7 HD2.7
128 7.834 1.848 1 T 4.613e+06 0.00e+00 a 0 H.8 HB.8
129 7.834 1.350 1 T 1.769e+06 0.00e+00 a 0 H.8 HG12.8
130 7.837 1.042 1 T 1.361e+06 0.00e+00 a 0 H.8 HG13.8
131 7.837 0.685 1 T 9.491e+05 0.00e+00 a 0 H.8 QD1.8
132 7.834 4.194 1 T 9.820e+06 0.00e+00 a 0 H.8 HA.8
133 1.852 4.194 1 T 2.177e+06 0.00e+00 a 0 HB.8 HA.8
134 1.042 4.187 1 T 1.556e+06 0.00e+00 a 0 HG13.8 HA.8
135 0.682 4.190 1 T 4.632e+06 0.00e+00 a 0 QD1.8 HA.8
136 1.338 4.192 1 T 1.741e+06 0.00e+00 a 0 HG12.8 HA.8
137 7.832 4.177 1 T 1.294e+07 0.00e+00 a 0 H.8 HA.7
138 7.838 1.779 1 T 1.178e+06 0.00e+00 a 0 H.8 HB3.7
139 7.838 2.357 1 T 7.911e+05 0.00e+00 a 0 H.8 HB2.7
140 8.772 0.688 1 T 2.426e+06 0.00e+00 a 0 H.9 QD1.8
141 8.769 1.041 1 T 2.623e+05 0.00e+00 a 0 H.9 HG13.8
142 8.772 1.354 1 T 2.079e+05 0.00e+00 a 0 H.9 HG12.8
143 8.769 1.845 1 T 4.716e+05 0.00e+00 a 0 H.9 HB.8
144 8.769 4.194 1 T 1.832e+07 0.00e+00 a 0 H.9 HA.8
145 8.772 2.877 1 T 6.244e+06 0.00e+00 a 0 H.9 HB3.9
146 8.772 4.934 1 T 1.771e+06 0.00e+00 a 0 H.9 HA.9
147 2.873 4.937 1 T 8.431e+06 0.00e+00 a 0 HB3.9 HA.9
149 8.668 4.745 1 T 6.530e+04 0.00e+00 a 0 H.10 HA.10
150 8.668 2.992 1 T 4.547e+06 0.00e+00 a 0 H.10 HB3.10
151 8.665 3.148 1 T 2.382e+06 0.00e+00 a 0 H.10 HB2.10
152 7.082 3.151 1 T 9.477e+05 0.00e+00 a 0 HD2.10 HB2.10
153 7.079 2.990 1 T 1.606e+06 0.00e+00 a 0 HD2.10 HB3.10
154 8.662 4.934 1 T 1.455e+07 0.00e+00 a 0 H.10 HA.9
155 8.665 2.880 1 T 4.783e+06 0.00e+00 a 0 H.10 HB3.9
156 3.141 4.748 1 T 1.722e+06 0.00e+00 a 0 HB2.10 HA.10
157 2.992 4.748 1 T 1.281e+06 0.00e+00 a 0 HB3.10 HA.10
158 3.003 3.148 1 T 7.998e+07 0.00e+00 a 0 HB3.10 HB2.10
159 5.156 4.937 1 T 7.405e+06 0.00e+00 a 0 HA.1 HA.9
160 4.930 5.154 1 T 1.491e+06 0.00e+00 a 0 HA.9 HA.1
162 5.009 3.732 1 T 4.034e+06 0.00e+00 a 0 HA.6 HD2.7
163 5.007 3.616 1 T 2.086e+06 0.00e+00 a 0 HA.6 HD3.7
164 8.457 4.322 1 T 3.779e+06 0.00e+00 a 0 H.11 HA.11
165 8.460 2.998 1 T 8.847e+06 0.00e+00 a 0 H.11 HB2.11
166 8.457 2.886 1 T 6.223e+06 0.00e+00 a 0 H.11 HB3.11
167 8.460 4.737 1 T 8.252e+06 0.00e+00 a 0 H.11 HA.10
168 8.463 3.154 1 T 1.139e+06 0.00e+00 a 0 H.11 HB2.10
169 8.457 2.984 1 T 1.934e+06 0.00e+00 a 0 H.11 HB3.10 #6.934e+06
170 7.255 3.001 1 T 5.435e+05 0.00e+00 a 0 QE.11 HB2.11
171 7.252 2.883 1 T 9.787e+05 0.00e+00 a 0 QE.11 HB3.11
172 7.119 2.877 1 T 7.272e+06 0.00e+00 a 0 QD.11 HB3.11
173 7.117 2.996 1 T 5.677e+06 0.00e+00 a 0 QD.11 HB2.11
174 7.252 4.316 1 T 7.092e+05 0.00e+00 a 0 QE.11 HA.11
175 7.117 4.316 1 T 5.312e+06 0.00e+00 a 0 QD.11 HA.11
176 7.249 7.120 1 T 6.402e+07 0.00e+00 a 0 QE.11 QD.11
177 2.995 4.318 1 T 8.700e+06 0.00e+00 a 0 HB2.11 HA.11
178 2.873 4.318 1 T -6.795e+05 0.00e+00 a 0 HB3.11 HA.11
179 2.887 3.000 1 T 1.010e+08 0.00e+00 a 0 HB3.11 HB2.11
180 7.840 4.316 1 T 1.221e+07 0.00e+00 a 0 H.12 HA.11
181 7.645 4.308 1 T 4.481e+05 0.00e+00 a 0 HE3.13 HA.11
182 7.843 2.875 1 T 1.037e+06 0.00e+00 a 0 H.12 HB3.11
183 7.837 2.999 1 T 9.030e+05 0.00e+00 a 0 H.12 HB2.11
184 7.346 2.361 1 T 4.194e+05 0.00e+00 a 0 H.4 HB2.7
185 7.343 4.178 1 T 1.860e+06 0.00e+00 a 0 H.4 HA.7
186 8.576 2.358 1 T 2.618e+05 0.00e+00 a 0 H.2 HB2.7
187 7.086 1.653 1 T 6.134e+05 0.00e+00 a 0 HD2.10 HB3.14
188 7.084 1.758 1 T 3.631e+05 0.00e+00 a 0 HD2.10 HB2.14
189 7.909 3.255 1 T 5.205e+06 0.00e+00 a 0 H.13 HB3.13
190 7.911 3.344 1 T 2.122e+06 0.00e+00 a 0 H.13 HB2.13
191 7.914 3.002 1 T 1.889e+05 0.00e+00 a 0 H.13 HB2.11
192 7.909 2.885 1 T 6.995e+05 0.00e+00 a 0 H.13 HB3.11
193 7.407 7.163 1 T 5.047e+06 0.00e+00 a 0 HZ2.13 HH2.13
194 7.163 7.084 1 T -3.020e+06 0.00e+00 a 0 HH2.13 HZ3.13
195 7.642 7.087 1 T -2.543e+06 0.00e+00 a 0 HE3.13 HZ3.13
196 8.579 7.839 1 T 2.779e+06 0.00e+00 a 0 H.2 H.8
197 8.394 7.346 1 T 1.838e+06 0.00e+00 a 0 H.3 H.4
198 8.772 7.835 1 T 4.213e+05 0.00e+00 a 0 H.9 H.8
199 8.536 8.186 1 T 3.727e+05 0.00e+00 a 0 H.1 H.14
201 8.462 7.841 1 T 3.424e+05 0.00e+00 a 0 H.11 H.12
206 8.670 3.257 1 T 4.675e+05 0.00e+00 a 0 H.10 HB3.13
207 8.672 3.341 1 T 2.030e+05 0.00e+00 a 0 H.10 HB2.13
208 7.912 4.314 1 T 7.088e+05 0.00e+00 a 0 H.13 HA.11
209 8.578 4.935 1 T 1.373e+06 0.00e+00 a 0 H.2 HA.9
210 8.533 4.939 1 T 3.277e+05 0.00e+00 a 0 H.1 HA.9
211 8.666 5.155 1 T 7.789e+05 0.00e+00 a 0 H.10 HA.1
212 8.580 1.845 1 T 8.060e+05 0.00e+00 a 0 H.2 HB.8
213 8.576 0.690 1 T 3.370e+05 0.00e+00 a 0 H.2 QD1.8
214 8.668 1.649 1 T 5.185e+05 0.00e+00 a 0 H.10 HB3.14
215 8.662 1.752 1 T 2.339e+05 0.00e+00 a 0 H.10 HB2.14
216 7.918 1.267 1 T 7.043e+05 0.00e+00 a 0 H.13 HB2.12
217 7.912 0.800 1 T 7.305e+05 0.00e+00 a 0 H.13 HB3.12
218 7.914 0.610 1 T 2.841e+05 0.00e+00 a 0 H.13 HG2.12
219 7.905 0.459 1 T 2.097e+05 0.00e+00 a 0 H.13 HG3.12
221 2.034 5.011 1 T 5.470e+05 0.00e+00 a 0 HG3.7 HA.6
222 1.943 4.202 1 T 5.120e+05 0.00e+00 a 0 - HA.5
223 1.943 3.618 1 T 2.811e+06 0.00e+00 a 0 HB3.6 HD3.7
224 1.939 3.728 1 T 6.911e+05 0.00e+00 a 0 HB3.6 HD2.7
225 5.008 4.212 1 T 4.710e+06 0.00e+00 a 0 - -
227 4.206 5.012 1 T 1.276e+07 0.00e+00 a 0 HA.5 HA.6
228 3.147 3.259 1 T 8.074e+06 0.00e+00 a 0 HB2.10 HB3.13
230 3.003 3.253 1 T 2.230e+06 0.00e+00 a 0 HB3.10 HB3.13
231 8.174 4.738 1 T 3.681e+05 0.00e+00 a 0 H.14 -
232 8.660 7.912 1 T 1.377e+05 0.00e+00 a 0 H.10 H.13
;
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 . . 100.00 ppm . . . 4.76 . . 30380 1
2 . . N 15 HN . . 35.00 ppm . . . 4.76 . . 30380 1
2 . . H 1 H . . 11.9705 ppm . . . 4.76 . . 30380 1
stop_
save_