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 30671
_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 8.386 4.426 1 T 6.164e+05 0.00e+00 a 0 H.1 HA2.1
2 8.390 3.739 1 T 1.135e+06 0.00e+00 a 0 H.1 HA3.1
3 7.866 4.267 1 T 4.303e+05 0.00e+00 a 0 H.2 HA.2
4 7.866 4.429 1 T 3.937e+05 0.00e+00 a 0 H.2 HA2.1
5 7.866 1.995 1 T 1.082e+06 0.00e+00 a 0 H.2 HB2.2
6 7.866 1.608 1 T 6.345e+05 0.00e+00 a 0 H.2 HG2.2
6 7.866 1.608 1 T 6.345e+05 0.00e+00 a 0 H.2 HG3.2
7 7.866 1.652 1 T 4.825e+05 0.00e+00 a 0 H.2 HB3.2
8 7.819 1.605 1 T 3.630e+05 0.00e+00 a 0 HE.2 HG3.2
9 7.819 1.649 1 T 2.251e+05 0.00e+00 a 0 HE.2 HB3.2
10 7.817 1.998 1 T 2.738e+05 0.00e+00 a 0 HE.2 HB2.2
11 7.821 3.214 1 T 3.445e+05 0.00e+00 a 0 HE.2 HD2.2
12 7.824 3.151 1 T 2.088e+05 0.00e+00 a 0 HE.2 HD3.2
13 8.456 4.269 1 T 5.886e+06 0.00e+00 a 0 H.3 HA.2
14 8.455 5.263 1 T 5.790e+05 0.00e+00 a 0 H.3 HA.3
15 8.454 2.493 1 T 7.539e+05 0.00e+00 a 0 H.3 HB2.3
16 8.453 2.293 1 T 1.693e+05 0.00e+00 a 0 H.3 HB3.3
18 8.690 2.749 1 T 7.559e+05 0.00e+00 a 0 H.4 HB3.4
19 8.690 5.264 1 T 2.971e+06 0.00e+00 a 0 H.4 HA.3
20 8.718 4.355 1 T 6.170e+05 0.00e+00 a 0 H.5 HA.5
21 8.714 1.933 1 T 2.946e+05 0.00e+00 a 0 H.5 HB2.5
22 8.715 1.693 1 T 9.891e+05 0.00e+00 a 0 H.5 HD2.5
22 8.715 1.693 1 T 9.891e+05 0.00e+00 a 0 H.5 HB3.5
22 8.715 1.693 1 T 9.891e+05 0.00e+00 a 0 H.5 HD3.5
23 7.548 1.386 1 T -2.831e+04 0.00e+00 a 0 QZ.5 HG3.5
24 7.529 4.345 1 T 2.093e+06 0.00e+00 a 0 H.6 HA.5
24 7.529 4.345 1 T 2.093e+06 0.00e+00 a 0 H.6 HA.6
25 7.529 3.687 1 T 2.780e+05 0.00e+00 a 0 H.6 HB3.6
26 8.223 4.347 1 T 1.208e+06 0.00e+00 a 0 H.7 HA.6
27 8.218 4.628 1 T 2.528e+05 0.00e+00 a 0 H.7 HA.7
28 8.222 3.922 1 T 1.545e+06 0.00e+00 a 0 H.7 HB2.6
29 8.222 3.686 1 T 3.553e+05 0.00e+00 a 0 H.7 HB3.6
31 7.491 1.650 1 T -2.340e+05 0.00e+00 a 0 QZ.7 -
32 5.107 4.643 1 T 3.379e+05 0.00e+00 a 0 HA.8 HA.7
33 3.588 1.807 1 T 6.626e+05 0.00e+00 a 0 HD2.8 HG3.8
34 3.473 1.809 1 T 6.440e+05 0.00e+00 a 0 HD3.8 HG3.8
35 3.587 1.956 1 T 7.404e+05 0.00e+00 a 0 HD2.8 HG2.8
36 3.471 1.944 1 T 1.119e+06 0.00e+00 a 0 HD3.8 HG2.8
37 2.408 5.106 1 T 7.608e+05 0.00e+00 a 0 HB2.8 HA.8
38 2.115 5.105 1 T 6.663e+05 0.00e+00 a 0 HB3.8 HA.8
39 1.930 5.098 1 T 1.958e+05 0.00e+00 a 0 HG2.8 HA.8
40 3.778 5.106 1 T 1.752e+06 0.00e+00 a 0 HD3.9 HA.8
41 3.691 5.105 1 T 1.269e+06 0.00e+00 a 0 HD2.9 HA.8
42 3.689 4.341 1 T 1.171e+06 0.00e+00 a 0 HD2.9 HA.6
42 3.689 4.341 1 T 1.171e+06 0.00e+00 a 0 HD2.9 HA.9
42 3.689 4.341 1 T 1.171e+06 0.00e+00 a 0 HB3.6 HA.6
42 3.689 4.341 1 T 1.171e+06 0.00e+00 a 0 HB3.6 HA.9
43 3.780 2.126 1 T 1.212e+06 0.00e+00 a 0 HD3.9 HG2.9
44 3.687 2.128 1 T 9.568e+05 0.00e+00 a 0 HD2.9 HG2.9
45 2.127 4.332 1 T 2.694e+05 0.00e+00 a 0 HG3.9 HA.9
45 2.127 4.332 1 T 2.694e+05 0.00e+00 a 0 HG2.9 HA.9
46 1.925 4.346 1 T 6.480e+05 0.00e+00 a 0 - -
47 2.259 4.336 1 T 9.276e+05 0.00e+00 a 0 HB2.9 HA.9
48 7.311 4.333 1 T 3.215e+06 0.00e+00 a 0 H.10 HA.9
49 7.308 1.489 1 T 4.614e+05 0.00e+00 a 0 H.10 HB.10
50 8.446 4.283 1 T 4.885e+06 0.00e+00 a 0 H.11 HA.10
51 8.445 5.388 1 T 5.723e+05 0.00e+00 a 0 H.11 HA.11
52 8.445 2.923 1 T 5.570e+05 0.00e+00 a 0 H.11 HB3.11
53 8.968 4.979 1 T 2.854e+05 0.00e+00 a 0 H.12 HA.12
54 8.957 2.978 1 T 1.312e+06 0.00e+00 a 0 H.12 HB3.12
55 8.957 5.393 1 T 2.830e+06 0.00e+00 a 0 H.12 HA.11
56 4.047 4.973 1 T 2.189e+06 0.00e+00 a 0 HD3.13 HA.12
56 4.047 4.973 1 T 2.189e+06 0.00e+00 a 0 HD2.13 HA.12
57 4.044 2.200 1 T 8.917e+05 0.00e+00 a 0 HD3.13 HG3.13
57 4.044 2.200 1 T 8.917e+05 0.00e+00 a 0 HD2.13 HG3.13
58 4.056 2.105 1 T 4.712e+05 0.00e+00 a 0 HD3.13 HG2.13
58 4.056 2.105 1 T 4.712e+05 0.00e+00 a 0 HD2.13 HG2.13
59 4.043 2.044 1 T 2.754e+05 0.00e+00 a 0 HD2.13 HB3.13
59 4.043 2.044 1 T 2.754e+05 0.00e+00 a 0 HD3.13 HB3.13
60 2.103 4.048 1 T 7.680e+05 0.00e+00 a 0 HG2.13 HD2.13
60 2.103 4.048 1 T 7.680e+05 0.00e+00 a 0 HG2.13 HD3.13
61 2.195 4.045 1 T 1.251e+06 0.00e+00 a 0 HG3.13 HD3.13
61 2.195 4.045 1 T 1.251e+06 0.00e+00 a 0 HG3.13 HD2.13
62 2.035 4.042 1 T 5.480e+05 0.00e+00 a 0 HB3.13 HD2.13
62 2.035 4.042 1 T 5.480e+05 0.00e+00 a 0 HB3.13 HD3.13
63 7.767 4.423 1 T 2.118e+05 0.00e+00 a 0 H.14 HA.13
64 7.769 4.528 1 T 5.205e+05 0.00e+00 a 0 H.14 HA.14
65 7.771 4.039 1 T 3.025e+05 0.00e+00 a 0 H.14 HD2.13
65 7.771 4.039 1 T 3.025e+05 0.00e+00 a 0 H.14 HD3.13
66 7.772 3.137 1 T 1.672e+05 0.00e+00 a 0 H.14 HB2.14
67 7.770 2.762 1 T 7.134e+05 0.00e+00 a 0 H.14 HB3.14
68 8.392 4.526 1 T 3.465e+05 0.00e+00 a 0 H.1 HA.14
69 8.455 4.336 1 T 8.313e+05 0.00e+00 a 0 H.3 HG3.3
70 8.689 5.394 1 T 2.640e+05 0.00e+00 a 0 H.4 HA.11
71 8.957 5.261 1 T 2.085e+05 0.00e+00 a 0 H.12 HA.3
72 8.957 3.190 1 T 6.494e+05 0.00e+00 a 0 H.12 HB2.11
73 8.716 4.726 1 T 1.072e+06 0.00e+00 a 0 H.5 HA.4
74 8.690 3.012 1 T 3.707e+05 0.00e+00 a 0 H.4 HB2.4
75 8.713 3.017 1 T 3.846e+05 0.00e+00 a 0 H.5 HB2.4
76 8.691 2.276 1 T 4.303e+05 0.00e+00 a 0 H.4 HB3.3
77 8.694 2.479 1 T 1.063e+05 0.00e+00 a 0 H.4 HB2.3
78 8.955 3.359 1 T 2.753e+05 0.00e+00 a 0 H.12 HB2.12
79 2.952 4.634 1 T 1.868e+05 0.00e+00 a 0 - -
80 7.222 3.371 1 T 3.128e+05 0.00e+00 a 0 QD.12 HB2.12
81 7.218 2.979 1 T 5.706e+05 0.00e+00 a 0 QD.12 HB3.12
82 7.216 4.966 1 T 1.883e+05 0.00e+00 a 0 QD.12 HA.12
84 7.052 3.015 1 T 6.258e+05 0.00e+00 a 0 QD.4 HB2.4
85 7.054 2.750 1 T 5.324e+05 0.00e+00 a 0 QD.4 HB3.4
87 7.046 6.756 1 T 6.573e+06 0.00e+00 a 0 QD.4 QE.4
88 7.404 3.189 1 T 2.792e+05 0.00e+00 a 0 HZ2.3 HB2.11
89 7.404 2.920 1 T 1.082e+06 0.00e+00 a 0 HZ2.3 HB3.11
90 7.401 1.903 1 T 2.646e+05 0.00e+00 a 0 HZ2.3 HB3.9
91 7.404 4.291 1 T 1.860e+05 0.00e+00 a 0 HZ2.3 HA.10
93 7.218 4.038 1 T 2.851e+05 0.00e+00 a 0 QD.12 HD3.13
93 7.218 4.038 1 T 2.851e+05 0.00e+00 a 0 QD.12 HD2.13
94 7.217 1.989 1 T 2.538e+05 0.00e+00 a 0 QD.12 HB2.2
95 7.152 0.605 1 T 3.404e+05 0.00e+00 a 0 QE.12 QG2.10
96 7.772 3.366 1 T 4.703e+05 0.00e+00 a 0 H.14 HB2.12
97 7.770 2.985 1 T 3.267e+05 0.00e+00 a 0 H.14 HB3.12
98 7.865 2.978 1 T 3.460e+05 0.00e+00 a 0 H.2 HB3.12
99 7.865 3.729 1 T 2.048e+05 0.00e+00 a 0 H.2 HA3.1
100 8.457 1.674 1 T 2.369e+05 0.00e+00 a 0 H.3 -
101 7.770 2.035 1 T 2.261e+05 0.00e+00 a 0 H.14 HB3.13
102 7.307 2.747 1 T 2.134e+05 0.00e+00 a 0 H.10 HB3.4
103 7.307 1.903 1 T 2.064e+05 0.00e+00 a 0 H.10 HB3.9
104 7.313 2.244 1 T 2.007e+05 0.00e+00 a 0 H.10 HB2.9
105 8.689 7.311 1 T 4.242e+05 0.00e+00 a 0 H.4 H.10
106 8.392 7.866 1 T 6.421e+05 0.00e+00 a 0 H.1 H.2
107 8.391 7.772 1 T 6.048e+05 0.00e+00 a 0 H.1 H.14
108 7.866 8.392 1 T 9.931e+05 0.00e+00 a 0 H.2 H.1
109 7.771 8.393 1 T 8.607e+05 0.00e+00 a 0 H.14 H.1
110 7.865 8.952 1 T 2.519e+05 0.00e+00 a 0 H.2 H.12
111 7.309 8.693 1 T 5.071e+05 0.00e+00 a 0 H.10 H.4
112 7.404 8.447 1 T 4.816e+05 0.00e+00 a 0 HZ2.3 H.11
114 7.528 8.714 1 T 3.610e+05 0.00e+00 a 0 H.6 H.5
115 7.053 8.692 1 T 3.328e+05 0.00e+00 a 0 QD.4 H.4
116 7.217 8.961 1 T 3.252e+05 0.00e+00 a 0 QD.12 H.12
117 8.956 7.220 1 T 1.973e+05 0.00e+00 a 0 H.12 QD.12
118 8.718 7.527 1 T 1.656e+05 0.00e+00 a 0 H.5 H.6
119 8.688 7.057 1 T 1.974e+05 0.00e+00 a 0 H.4 QD.4
120 6.761 7.054 1 T 7.816e+06 0.00e+00 a 0 QE.4 QD.4
121 7.218 7.135 1 T 7.448e+06 0.00e+00 a 0 QD.12 QE.12
122 8.957 4.342 1 T 1.438e+05 0.00e+00 a 0 H.12 -
123 8.442 3.206 1 T 1.126e+05 0.00e+00 a 0 H.11 HB2.11
124 8.444 3.348 1 T 1.093e+05 0.00e+00 a 0 H.11 HB2.12
125 8.394 2.976 1 T 1.251e+05 0.00e+00 a 0 H.1 HB3.12
126 7.525 2.760 1 T 1.264e+05 0.00e+00 a 0 H.6 HB3.14
127 7.523 3.919 1 T 1.233e+05 0.00e+00 a 0 H.6 HB2.6
128 8.441 1.496 1 T 1.464e+05 0.00e+00 a 0 H.11 HG2.5
129 8.447 0.612 1 T 1.947e+05 0.00e+00 a 0 H.11 QG2.10
130 7.049 0.614 1 T 1.548e+05 0.00e+00 a 0 - -
131 6.767 2.759 1 T 9.907e+04 0.00e+00 a 0 QE.4 HB3.4
132 6.753 1.667 1 T 1.829e+05 0.00e+00 a 0 QE.4 HB3.2
133 7.172 0.767 1 T 1.695e+05 0.00e+00 a 0 - -
134 7.212 1.665 1 T 1.423e+05 0.00e+00 a 0 QD.12 HB3.2
135 5.396 5.260 1 T 5.310e+05 0.00e+00 a 0 HA.11 HA.3
136 5.261 5.396 1 T 5.211e+05 0.00e+00 a 0 HA.3 HA.11
137 5.264 4.335 1 T 2.109e+05 0.00e+00 a 0 HA.3 HG3.3
138 5.393 4.333 1 T 1.918e+05 0.00e+00 a 0 HA.11 -
139 5.390 3.190 1 T 6.574e+05 0.00e+00 a 0 HA.11 HB2.11
140 5.369 2.921 1 T 2.807e+05 0.00e+00 a 0 HA.11 HB3.11
141 5.107 3.781 1 T 2.880e+05 0.00e+00 a 0 HA.8 HD3.9
142 5.106 3.690 1 T 1.306e+05 0.00e+00 a 0 HA.8 HD2.9
143 5.095 2.408 1 T 2.363e+05 0.00e+00 a 0 HA.8 HB2.8
144 5.102 2.107 1 T 1.051e+05 0.00e+00 a 0 HA.8 HB3.8
145 5.261 2.276 1 T 2.390e+05 0.00e+00 a 0 HA.3 HB3.3
146 5.247 2.486 1 T 2.110e+05 0.00e+00 a 0 HA.3 HB2.3
147 4.993 2.976 1 T 1.550e+05 0.00e+00 a 0 HA.12 HB3.12
148 4.441 3.739 1 T 2.425e+06 0.00e+00 a 0 HA2.1 HA3.1
149 4.355 3.685 1 T 4.191e+05 0.00e+00 a 0 HA.6 HB3.6
150 4.348 3.922 1 T 1.909e+05 0.00e+00 a 0 HA.6 HB2.6
151 4.435 4.333 1 T 1.442e+06 0.00e+00 a 0 HG2.3 HG3.3
152 4.342 3.190 1 T 1.991e+05 0.00e+00 a 0 HA.6 HB2.11
153 4.426 2.476 1 T 1.798e+05 0.00e+00 a 0 HA2.1 HB2.3
157 4.348 1.933 1 T 1.348e+05 0.00e+00 a 0 HA.5 HB2.5
158 3.002 1.694 1 T 6.534e+05 0.00e+00 a 0 HE3.5 HD3.5
158 3.002 1.694 1 T 6.534e+05 0.00e+00 a 0 HE3.5 HB3.5
159 1.931 1.390 1 T -6.178e+05 0.00e+00 a 0 - -
160 4.283 0.609 1 T 1.108e+05 0.00e+00 a 0 HA.10 QG2.10
162 1.496 0.896 1 T 9.286e+05 0.00e+00 a 0 HB.10 HG13.10
163 1.490 0.758 1 T 1.213e+05 0.00e+00 a 0 HB.10 QD1.10
164 1.489 0.611 1 T -7.452e+05 0.00e+00 a 0 HB.10 QG2.10
166 1.316 0.611 1 T 5.435e+04 0.00e+00 a 0 - QG2.10
167 1.328 0.754 1 T 2.546e+06 0.00e+00 a 0 HG12.10 QD1.10
168 1.327 0.896 1 T 1.788e+06 0.00e+00 a 0 HG12.10 HG13.10
169 0.883 0.754 1 T 8.971e+06 0.00e+00 a 0 HG13.10 QD1.10
170 2.035 0.940 1 T 1.219e+06 0.00e+00 a 0 - -
172 2.054 0.883 1 T 6.901e+05 0.00e+00 a 0 - -
174 7.303 1.326 1 T 8.014e+04 0.00e+00 a 0 H.10 HG12.10
175 4.288 0.892 1 T 7.789e+04 0.00e+00 a 0 HA.10 HG13.10
176 4.288 1.306 1 T 8.565e+04 0.00e+00 a 0 HA.10 HG12.10
177 3.140 1.593 1 T 7.881e+05 0.00e+00 a 0 HD3.2 HG2.2
178 3.210 1.663 1 T 2.377e+05 0.00e+00 a 0 HD2.2 HB3.2
180 3.207 1.581 1 T 6.489e+05 0.00e+00 a 0 HD2.2 HG2.2
181 3.776 2.404 1 T 1.162e+05 0.00e+00 a 0 HD3.9 HB2.8
182 3.683 2.410 1 T 1.334e+05 0.00e+00 a 0 HD2.9 HB2.8
183 4.347 2.264 1 T 3.165e+05 0.00e+00 a 0 - -
184 4.041 2.984 1 T 1.456e+05 0.00e+00 a 0 HD3.13 HB3.12
184 4.041 2.984 1 T 1.456e+05 0.00e+00 a 0 HD2.13 HB3.12
185 4.044 3.365 1 T 9.762e+05 0.00e+00 a 0 HD3.13 HB2.12
185 4.044 3.365 1 T 9.762e+05 0.00e+00 a 0 HD2.13 HB2.12
186 3.911 3.687 1 T 8.880e+06 0.00e+00 a 0 HB2.6 HB3.6
189 3.368 2.981 1 T 1.785e+06 0.00e+00 a 0 HB2.12 HB3.12
190 3.176 2.923 1 T 1.022e+07 0.00e+00 a 0 HB2.11 HB3.11
191 3.005 2.746 1 T 9.769e+06 0.00e+00 a 0 HB2.4 HB3.4
192 2.929 3.187 1 T 9.185e+06 0.00e+00 a 0 HB3.11 HB2.11
193 2.754 3.015 1 T 9.188e+06 0.00e+00 a 0 HB3.4 HB2.4
194 2.479 2.278 1 T 1.212e+07 0.00e+00 a 0 HB2.3 HB3.3
195 2.397 2.109 1 T 4.740e+06 0.00e+00 a 0 HB2.8 HB3.8
196 3.582 3.476 1 T 1.258e+07 0.00e+00 a 0 - -
197 1.936 1.806 1 T 8.457e+06 0.00e+00 a 0 HG2.8 HG3.8
198 1.925 1.694 1 T 4.953e+06 0.00e+00 a 0 - -
199 1.677 1.494 1 T 4.349e+06 0.00e+00 a 0 - -
200 8.439 7.398 1 T 1.308e+05 0.00e+00 a 0 - -
201 7.313 4.281 1 T 1.140e+06 0.00e+00 a 0 H.10 HA.10
202 8.702 1.479 1 T 1.321e+05 0.00e+00 a 0 H.5 HG2.5
203 8.223 1.688 1 T 8.684e+05 0.00e+00 a 0 H.7 HB2.7
203 8.223 1.688 1 T 8.684e+05 0.00e+00 a 0 H.7 HB3.7
204 7.308 0.892 1 T 1.581e+05 0.00e+00 a 0 H.10 HG13.10
205 7.315 0.616 1 T 2.156e+05 0.00e+00 a 0 H.10 QG2.10
206 4.277 2.002 1 T 1.922e+05 0.00e+00 a 0 - -
207 4.257 1.672 1 T 1.717e+05 0.00e+00 a 0 - -
208 4.265 1.596 1 T 2.674e+05 0.00e+00 a 0 - -
209 4.274 1.490 1 T 1.986e+05 0.00e+00 a 0 - -
210 4.040 2.449 1 T 1.151e+05 0.00e+00 a 0 HD2.13 HB2.13
210 4.040 2.449 1 T 1.151e+05 0.00e+00 a 0 HD3.13 HB2.13
211 3.785 2.252 1 T 2.191e+05 0.00e+00 a 0 HD3.9 HB2.9
212 2.932 1.643 1 T 1.437e+06 0.00e+00 a 0 HE3.7 HD2.7
212 2.932 1.643 1 T 1.437e+06 0.00e+00 a 0 HE3.7 HD3.7
212 2.932 1.643 1 T 1.437e+06 0.00e+00 a 0 HE2.7 HD2.7
212 2.932 1.643 1 T 1.437e+06 0.00e+00 a 0 HE2.7 HD3.7
213 2.420 1.808 1 T 9.362e+05 0.00e+00 a 0 HB2.8 HG3.8
214 2.423 1.946 1 T 3.360e+05 0.00e+00 a 0 HB2.8 HG2.8
215 2.457 2.037 1 T 2.024e+06 0.00e+00 a 0 HB2.13 HB3.13
216 2.238 1.910 1 T 1.772e+06 0.00e+00 a 0 HB2.9 HB3.9
217 1.992 1.664 1 T 1.894e+06 0.00e+00 a 0 HB2.2 HB3.2
218 2.105 1.912 1 T 1.102e+06 0.00e+00 a 0 - -
219 2.151 1.906 1 T 3.347e+05 0.00e+00 a 0 - -
220 1.732 1.236 1 T 2.989e+05 0.00e+00 a 0 - -
221 3.914 4.346 1 T 1.054e+06 0.00e+00 a 0 HB2.6 HA.6
222 3.748 4.425 1 T 4.749e+06 0.00e+00 a 0 HA3.1 HA2.1
223 3.720 4.425 1 T 4.814e+06 0.00e+00 a 0 HA3.1 HA2.1
224 3.379 4.043 1 T 8.854e+05 0.00e+00 a 0 HB2.12 HD2.13
224 3.379 4.043 1 T 8.854e+05 0.00e+00 a 0 HB2.12 HD3.13
225 3.349 4.043 1 T 1.024e+06 0.00e+00 a 0 HB2.12 HD3.13
225 3.349 4.043 1 T 1.024e+06 0.00e+00 a 0 HB2.12 HD2.13
226 3.204 4.337 1 T 7.409e+05 0.00e+00 a 0 HB2.11 -
227 3.172 4.338 1 T 9.593e+05 0.00e+00 a 0 HB2.11 -
228 3.160 4.525 1 T 4.700e+05 0.00e+00 a 0 HB2.14 HA.14
229 3.117 4.525 1 T 5.787e+05 0.00e+00 a 0 HB2.14 HA.14
230 2.778 4.526 1 T 4.598e+05 0.00e+00 a 0 HB3.14 HA.14
231 2.737 4.526 1 T 3.867e+05 0.00e+00 a 0 HB3.14 HA.14
232 2.289 5.263 1 T 4.713e+05 0.00e+00 a 0 HB3.3 HA.3
233 3.380 4.973 1 T 4.684e+05 0.00e+00 a 0 HB2.12 HA.12
234 3.348 4.972 1 T 5.419e+05 0.00e+00 a 0 HB2.12 HA.12
235 3.177 5.393 1 T 7.590e+05 0.00e+00 a 0 HB2.11 HA.11
236 1.705 4.642 1 T 7.467e+05 0.00e+00 a 0 HB2.7 HA.7
237 2.465 4.428 1 T 1.196e+06 0.00e+00 a 0 HB2.13 HA.13
238 2.288 4.435 1 T 7.043e+05 0.00e+00 a 0 - -
239 2.116 3.782 1 T 1.124e+06 0.00e+00 a 0 HG2.9 HD3.9
240 1.935 3.476 1 T 1.241e+06 0.00e+00 a 0 HG2.8 HD3.8
241 1.807 3.475 1 T 7.628e+05 0.00e+00 a 0 HG3.8 HD3.8
242 1.598 4.268 1 T 6.288e+05 0.00e+00 a 0 HG3.2 HA.2
242 1.598 4.268 1 T 6.288e+05 0.00e+00 a 0 HG2.2 HA.2
243 1.792 2.406 1 T 1.192e+06 0.00e+00 a 0 HG3.8 HB2.8
244 2.023 2.448 1 T 2.041e+06 0.00e+00 a 0 - -
245 4.334 7.529 1 T 6.506e+05 0.00e+00 a 0 - -
246 4.335 7.313 1 T 6.929e+05 0.00e+00 a 0 - -
247 4.281 7.312 1 T 6.382e+05 0.00e+00 a 0 - -
248 4.273 8.451 1 T 1.914e+06 0.00e+00 a 0 - -
249 3.746 8.392 1 T 8.500e+05 0.00e+00 a 0 - -
250 3.724 8.389 1 T 8.235e+05 0.00e+00 a 0 - -
251 3.914 8.224 1 T 1.021e+06 0.00e+00 a 0 - -
252 3.689 8.220 1 T 5.524e+05 0.00e+00 a 0 - -
253 2.750 8.697 1 T 4.643e+05 0.00e+00 a 0 - -
254 2.478 8.457 1 T 4.574e+05 0.00e+00 a 0 - -
255 1.692 8.718 1 T 6.114e+05 0.00e+00 a 0 - -
256 1.692 8.223 1 T 6.455e+05 0.00e+00 a 0 - -
257 1.993 7.864 1 T 5.170e+05 0.00e+00 a 0 - -
258 1.670 7.867 1 T 3.524e+05 0.00e+00 a 0 - -
259 1.597 7.861 1 T 4.426e+05 0.00e+00 a 0 - -
260 2.923 8.446 1 T 4.796e+05 0.00e+00 a 0 - -
261 3.202 8.958 1 T 2.946e+05 0.00e+00 a 0 - -
262 3.172 8.959 1 T 4.139e+05 0.00e+00 a 0 - -
263 2.974 8.959 1 T 8.239e+05 0.00e+00 a 0 - -
264 3.028 8.720 1 T 2.092e+05 0.00e+00 a 0 - -
265 3.001 8.694 1 T 4.282e+05 0.00e+00 a 0 - -
266 5.392 8.959 1 T 1.211e+06 0.00e+00 a 0 - -
267 5.264 8.690 1 T 8.679e+05 0.00e+00 a 0 - -
268 5.260 8.455 1 T 4.467e+05 0.00e+00 a 0 - -
269 5.392 8.445 1 T 3.850e+05 0.00e+00 a 0 - -
270 1.483 7.314 1 T 3.958e+05 0.00e+00 a 0 - -
271 1.599 3.213 1 T 7.720e+05 0.00e+00 a 0 - -
272 1.595 3.138 1 T 7.184e+05 0.00e+00 a 0 - -
273 1.664 2.957 1 T 1.963e+06 0.00e+00 a 0 HD3.7 HE2.7
273 1.664 2.957 1 T 1.963e+06 0.00e+00 a 0 HD3.7 HE3.7
273 1.664 2.957 1 T 1.963e+06 0.00e+00 a 0 HD2.7 HE2.7
273 1.664 2.957 1 T 1.963e+06 0.00e+00 a 0 HD2.7 HE3.7
274 1.706 3.018 1 T 1.235e+06 0.00e+00 a 0 HD2.5 HE2.5
274 1.706 3.018 1 T 1.235e+06 0.00e+00 a 0 HD2.5 HE3.5
274 1.706 3.018 1 T 1.235e+06 0.00e+00 a 0 HD3.5 HE2.5
274 1.706 3.018 1 T 1.235e+06 0.00e+00 a 0 HD3.5 HE3.5
275 2.285 2.490 1 T 1.326e+07 0.00e+00 a 0 HB3.3 HB2.3
276 2.117 2.409 1 T 6.980e+06 0.00e+00 a 0 HB3.8 HB2.8
277 3.982 3.869 1 T 3.619e+05 0.00e+00 a 0 - -
278 3.996 3.822 1 T 2.925e+05 0.00e+00 a 0 - -
279 8.957 7.867 1 T 1.537e+05 0.00e+00 a 0 H.12 H.2
280 8.959 8.388 1 T 1.225e+05 0.00e+00 a 0 H.12 H.1
281 8.458 7.200 1 T 1.308e+05 0.00e+00 a 0 H.3 -
282 8.224 7.525 1 T 1.698e+05 0.00e+00 a 0 H.7 H.6
283 7.404 8.876 1 T 2.682e+05 0.00e+00 a 0 - -
284 7.530 1.936 1 T 1.591e+05 0.00e+00 a 0 H.6 HB2.5
285 6.748 0.864 1 T 1.463e+05 0.00e+00 a 0 QE.4 -
286 6.754 1.199 1 T 1.415e+05 0.00e+00 a 0 QE.4 -
287 6.748 1.986 1 T 1.353e+05 0.00e+00 a 0 QE.4 HB2.2
288 6.761 3.681 1 T 1.923e+05 0.00e+00 a 0 QE.4 HB3.6
289 3.692 3.919 1 T 8.476e+06 0.00e+00 a 0 HB3.6 HB2.6
290 2.948 5.401 1 T 3.724e+05 0.00e+00 a 0 HB3.11 HA.11
291 2.927 5.359 1 T 2.021e+05 0.00e+00 a 0 - -
292 3.197 5.395 1 T 7.474e+05 0.00e+00 a 0 - -
293 2.757 3.199 1 T 5.574e+05 0.00e+00 a 0 HB3.14 -
294 2.785 3.136 1 T 3.221e+06 0.00e+00 a 0 HB3.14 HB2.14
295 2.728 3.133 1 T 1.666e+06 0.00e+00 a 0 HB3.14 HB2.14
296 2.735 3.116 1 T 1.262e+06 0.00e+00 a 0 HB3.14 HB2.14
297 3.148 2.804 1 T 1.230e+06 0.00e+00 a 0 - -
298 3.162 2.780 1 T 1.176e+06 0.00e+00 a 0 HB2.14 HB3.14
299 3.112 2.762 1 T 2.949e+06 0.00e+00 a 0 HB2.14 HB3.14
300 3.145 2.700 1 T 6.394e+05 0.00e+00 a 0 HB2.14 -
301 2.973 4.975 1 T 3.072e+05 0.00e+00 a 0 HB3.12 HA.12
302 3.001 3.361 1 T 2.736e+06 0.00e+00 a 0 HB3.12 HB2.12
303 2.950 3.358 1 T 2.000e+06 0.00e+00 a 0 HB3.12 HB2.12
304 2.975 3.341 1 T 2.209e+06 0.00e+00 a 0 HB3.12 HB2.12
305 2.485 5.258 1 T 2.098e+05 0.00e+00 a 0 - -
306 3.015 4.720 1 T 2.152e+05 0.00e+00 a 0 - -
307 2.750 4.733 1 T 1.891e+05 0.00e+00 a 0 - -
308 2.757 7.056 1 T 2.572e+05 0.00e+00 a 0 - -
309 3.000 7.055 1 T 3.507e+05 0.00e+00 a 0 - -
310 1.492 4.347 1 T 1.238e+05 0.00e+00 a 0 - -
311 1.693 4.352 1 T 2.380e+05 0.00e+00 a 0 - -
312 1.369 1.928 1 T 3.256e+05 0.00e+00 a 0 HG3.5 HB2.5
313 1.475 1.933 1 T 5.263e+05 0.00e+00 a 0 HG2.5 HB2.5
314 1.703 1.938 1 T 5.843e+06 0.00e+00 a 0 HD2.5 HB2.5
314 1.703 1.938 1 T 5.843e+06 0.00e+00 a 0 HD3.5 HB2.5
314 1.703 1.938 1 T 5.843e+06 0.00e+00 a 0 HB3.5 HB2.5
315 1.813 1.940 1 T 8.705e+06 0.00e+00 a 0 HG3.8 HG2.8
316 1.392 1.489 1 T 8.064e+06 0.00e+00 a 0 HG3.5 HG2.5
317 1.484 1.384 1 T 8.352e+06 0.00e+00 a 0 HG2.5 HG3.5
318 1.501 1.684 1 T 7.328e+06 0.00e+00 a 0 - -
319 1.391 1.662 1 T 3.691e+06 0.00e+00 a 0 - -
320 1.690 1.239 1 T 4.818e+05 0.00e+00 a 0 - -
321 1.984 4.264 1 T 3.219e+05 0.00e+00 a 0 - -
322 1.657 4.272 1 T 3.721e+05 0.00e+00 a 0 - -
323 1.673 3.202 1 T 1.815e+05 0.00e+00 a 0 HB3.2 HD2.2
324 3.479 3.587 1 T 1.259e+07 0.00e+00 a 0 HD3.8 HD2.8
325 3.472 2.408 1 T 1.438e+05 0.00e+00 a 0 HD3.8 HB2.8
326 1.833 3.588 1 T 3.508e+05 0.00e+00 a 0 HG3.8 HD2.8
327 1.788 3.588 1 T 5.167e+05 0.00e+00 a 0 HG3.8 HD2.8
328 1.976 3.589 1 T 4.457e+05 0.00e+00 a 0 - -
329 1.944 3.572 1 T 4.635e+05 0.00e+00 a 0 HG2.8 HD2.8
330 1.930 2.403 1 T 7.167e+05 0.00e+00 a 0 HG2.8 HB2.8
331 2.099 1.808 1 T 5.127e+05 0.00e+00 a 0 HB3.8 HG3.8
332 1.811 2.102 1 T 6.927e+05 0.00e+00 a 0 HG3.8 HB3.8
333 1.954 2.104 1 T 5.389e+05 0.00e+00 a 0 HG2.8 HB3.8
334 2.031 4.413 1 T 2.902e+05 0.00e+00 a 0 HB3.13 HA.13
335 2.097 4.425 1 T 2.370e+05 0.00e+00 a 0 HG2.13 HA.13
336 2.196 4.413 1 T 1.914e+05 0.00e+00 a 0 HG3.13 HA.13
337 2.450 4.052 1 T 1.755e+05 0.00e+00 a 0 HB2.13 HD2.13
337 2.450 4.052 1 T 1.755e+05 0.00e+00 a 0 HB2.13 HD3.13
338 2.040 2.449 1 T 8.403e+05 0.00e+00 a 0 HB3.13 HB2.13
339 2.201 2.436 1 T 8.570e+05 0.00e+00 a 0 HG3.13 HB2.13
340 2.438 2.197 1 T 5.303e+05 0.00e+00 a 0 - -
341 2.199 2.043 1 T 3.683e+06 0.00e+00 a 0 HG3.13 HB3.13
342 2.215 1.976 1 T 7.279e+05 0.00e+00 a 0 - -
343 2.035 2.198 1 T 1.556e+06 0.00e+00 a 0 HB3.13 HG3.13
344 2.247 3.777 1 T 2.275e+05 0.00e+00 a 0 HB2.9 HD3.9
345 2.151 3.690 1 T 8.621e+05 0.00e+00 a 0 HG2.9 HD2.9
346 2.115 3.679 1 T 8.331e+05 0.00e+00 a 0 HG3.9 HD2.9
347 1.925 3.689 1 T 2.854e+05 0.00e+00 a 0 HB3.9 HD2.9
348 2.249 2.125 1 T 3.134e+06 0.00e+00 a 0 HB2.9 HG2.9
348 2.249 2.125 1 T 3.134e+06 0.00e+00 a 0 HB2.9 HG3.9
349 1.914 2.248 1 T 2.175e+06 0.00e+00 a 0 HB3.9 HB2.9
350 2.477 4.343 1 T 3.915e+05 0.00e+00 a 0 HB2.3 HG3.3
351 2.296 4.337 1 T 5.725e+05 0.00e+00 a 0 HB3.3 HG3.3
352 1.489 4.284 1 T 3.536e+05 0.00e+00 a 0 HB.10 HA.10
353 1.326 4.282 1 T 1.595e+05 0.00e+00 a 0 HG12.10 HA.10
354 0.606 4.293 1 T 4.548e+05 0.00e+00 a 0 QG2.10 HA.10
355 0.762 4.288 1 T 3.110e+05 0.00e+00 a 0 QD1.10 HA.10
356 0.757 0.892 1 T 1.369e+07 0.00e+00 a 0 QD1.10 HG13.10
357 0.877 1.312 1 T 1.738e+06 0.00e+00 a 0 HG13.10 HG12.10
358 0.876 1.486 1 T 8.531e+05 0.00e+00 a 0 HG13.10 HB.10
359 0.751 1.483 1 T 4.301e+05 0.00e+00 a 0 QD1.10 HB.10
360 0.745 1.314 1 T 4.061e+06 0.00e+00 a 0 QD1.10 HG12.10
361 0.601 1.332 1 T 3.245e+05 0.00e+00 a 0 QG2.10 HG12.10
362 0.631 1.479 1 T 5.532e+04 0.00e+00 a 0 QG2.10 HB.10
363 0.579 1.485 1 T 5.082e+05 0.00e+00 a 0 QG2.10 HB.10
364 0.607 2.761 1 T 3.106e+05 0.00e+00 a 0 QG2.10 HB3.14
365 0.604 7.147 1 T 3.365e+05 0.00e+00 a 0 QG2.10 QE.12
366 1.484 2.756 1 T 2.160e+05 0.00e+00 a 0 HB.10 HB3.14
368 1.212 1.703 1 T 3.611e+05 0.00e+00 a 0 HG3.7 HB3.7
368 1.212 1.703 1 T 3.611e+05 0.00e+00 a 0 HG3.7 HB2.7
369 1.232 1.598 1 T 9.709e+04 0.00e+00 a 0 - -
370 1.616 1.995 1 T 6.784e+05 0.00e+00 a 0 - -
371 1.580 1.992 1 T 3.506e+05 0.00e+00 a 0 - -
372 1.987 2.246 1 T 5.913e+05 0.00e+00 a 0 - -
373 2.912 2.791 1 T 6.468e+05 0.00e+00 a 0 - -
374 2.882 3.018 1 T 1.350e+06 0.00e+00 a 0 - -
375 1.919 2.135 1 T 2.097e+06 0.00e+00 a 0 HB3.9 HG2.9
376 3.778 4.642 1 T 3.735e+05 0.00e+00 a 0 HD3.9 HA.7
377 3.692 4.647 1 T 2.220e+05 0.00e+00 a 0 HD2.9 HA.7
378 3.590 4.641 1 T 1.859e+05 0.00e+00 a 0 HD2.8 HA.7
379 3.792 4.575 1 T 2.149e+05 0.00e+00 a 0 - -
380 7.057 4.732 1 T 2.028e+05 0.00e+00 a 0 QD.4 HA.4
382 7.056 0.900 1 T 1.842e+05 0.00e+00 a 0 QD.4 HG13.10
383 7.214 5.269 1 T 1.719e+05 0.00e+00 a 0 QD.12 HA.3
384 7.216 5.393 1 T 1.896e+05 0.00e+00 a 0 QD.12 HA.11
385 7.210 5.595 1 T 2.018e+05 0.00e+00 a 0 - -
386 7.406 5.394 1 T 1.262e+05 0.00e+00 a 0 HZ2.3 HA.11
388 7.045 1.685 1 T 1.106e+05 0.00e+00 a 0 QD.4 HD2.5
388 7.045 1.685 1 T 1.106e+05 0.00e+00 a 0 QD.4 HB3.5
389 7.048 1.814 1 T 1.080e+05 0.00e+00 a 0 QD.4 HG3.8
390 7.229 1.132 1 T 1.495e+05 0.00e+00 a 0 - -
391 7.232 1.347 1 T 1.342e+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 . . . 4.76 . . 30671 1
2 . . H 1 H . . 12 ppm . . . 4.76 . . 30671 1
stop_
save_