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 30666
_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 7.361 1.920 1 T 3.766e+04 0.00e+00 a 0 HE.2 HB3.2
2 7.361 1.971 1 T 8.172e+04 0.00e+00 a 0 HE.2 HB2.2
3 7.356 3.199 1 T 7.071e+05 0.00e+00 a 0 HE.2 HD3.2
3 7.356 3.199 1 T 7.071e+05 0.00e+00 a 0 HE.2 HD2.2
4 7.685 3.794 1 T 3.682e+05 0.00e+00 a 0 H.2 HA3.1
5 7.683 4.355 1 T 4.729e+05 0.00e+00 a 0 H.2 HA2.1
6 7.688 4.488 1 T 9.237e+05 0.00e+00 a 0 H.2 HA.2
7 8.504 4.358 1 T 1.231e+06 0.00e+00 a 0 H.1 HA2.1
8 8.504 3.794 1 T 1.952e+06 0.00e+00 a 0 H.1 HA3.1
11 8.554 5.829 1 T 1.744e+06 0.00e+00 a 0 H.3 HA.3
12 8.559 4.487 1 T 5.036e+06 0.00e+00 a 0 H.3 HA.2
13 9.192 5.827 1 T 4.958e+06 0.00e+00 a 0 H.4 HA.3
14 9.192 4.526 1 T 6.539e+05 0.00e+00 a 0 H.4 HA.4
15 9.192 4.598 1 T 3.884e+05 0.00e+00 a 0 H.4 HB.4
16 9.191 5.412 1 T 5.320e+05 0.00e+00 a 0 H.4 HA.11
17 8.814 5.828 1 T 6.094e+05 0.00e+00 a 0 H.12 HA.3
18 8.584 4.529 1 T 5.304e+06 0.00e+00 a 0 H.5 HA.5
19 8.586 2.069 1 T 4.010e+05 0.00e+00 a 0 H.5 HB2.5
20 8.586 1.450 1 T 1.186e+05 0.00e+00 a 0 H.5 HG3.5
21 8.586 1.711 1 T 1.592e+06 0.00e+00 a 0 H.5 HD3.5
21 8.586 1.711 1 T 1.592e+06 0.00e+00 a 0 H.5 HD2.5
22 7.369 4.542 1 T 8.684e+05 0.00e+00 a 0 H.6 HA.5
23 7.370 4.414 1 T 1.394e+06 0.00e+00 a 0 H.6 HA.6
24 7.370 3.934 1 T 2.453e+05 0.00e+00 a 0 H.6 HB2.6
25 7.369 3.823 1 T 5.016e+05 0.00e+00 a 0 H.6 HB3.6
26 8.261 4.412 1 T 2.656e+06 0.00e+00 a 0 H.7 HA.6
27 8.260 1.824 1 T 1.511e+06 0.00e+00 a 0 H.7 HB.7
28 8.260 1.487 1 T 3.562e+05 0.00e+00 a 0 H.7 HG13.7
29 8.261 1.102 1 T 1.875e+05 0.00e+00 a 0 H.7 HG12.7
30 8.260 0.865 1 T 2.736e+05 0.00e+00 a 0 H.7 QD1.7
30 8.260 0.865 1 T 2.736e+05 0.00e+00 a 0 H.7 QG2.7
31 5.119 4.317 1 T 7.392e+05 0.00e+00 a 0 HA.8 HA.7
32 3.567 5.117 1 T 2.144e+05 0.00e+00 a 0 HD2.8 HA.8
32 3.567 5.117 1 T 2.144e+05 0.00e+00 a 0 HD3.8 HA.8
33 3.582 2.466 1 T 2.638e+05 0.00e+00 a 0 HD2.8 HB2.8
34 3.561 2.466 1 T 2.549e+05 0.00e+00 a 0 HD3.8 HB2.8
35 3.592 1.981 1 T 1.913e+06 0.00e+00 a 0 HD2.8 HG2.8
36 3.562 1.986 1 T 1.373e+06 0.00e+00 a 0 HD3.8 HG2.8
37 3.580 1.861 1 T 1.885e+06 0.00e+00 a 0 HD3.8 HG3.8
37 3.580 1.861 1 T 1.885e+06 0.00e+00 a 0 HD2.8 HG3.8
38 5.116 2.046 1 T 2.025e+05 0.00e+00 a 0 HA.8 HB3.8
39 3.578 2.047 1 T 2.405e+05 0.00e+00 a 0 HD3.8 HB3.8
39 3.578 2.047 1 T 2.405e+05 0.00e+00 a 0 HD2.8 HB3.8
40 5.106 2.465 1 T 5.348e+05 0.00e+00 a 0 HA.8 HB2.8
41 4.315 5.118 1 T 1.231e+06 0.00e+00 a 0 HA.7 HA.8
42 3.824 5.119 1 T 3.183e+06 0.00e+00 a 0 HD2.9 HA.8
43 3.704 5.118 1 T 2.210e+06 0.00e+00 a 0 HD3.9 HA.8
44 5.120 3.827 1 T 5.943e+05 0.00e+00 a 0 HA.8 HD2.9
45 5.120 3.704 1 T 3.075e+05 0.00e+00 a 0 HA.8 HD3.9
46 3.822 1.842 1 T 2.016e+05 0.00e+00 a 0 HD2.9 HB3.9
47 3.704 1.844 1 T 3.464e+05 0.00e+00 a 0 HD3.9 HB3.9
48 3.704 2.460 1 T 5.002e+05 0.00e+00 a 0 HD3.9 HB2.9
49 3.823 2.447 1 T 4.317e+05 0.00e+00 a 0 HD2.9 HB2.9
50 4.214 1.848 1 T -3.756e+05 0.00e+00 a 0 HA.9 HB3.9
51 4.215 2.444 1 T 2.333e+06 0.00e+00 a 0 HA.9 HB2.9
52 7.741 4.216 1 T 4.739e+06 0.00e+00 a 0 H.10 HA.9
53 7.743 4.511 1 T 8.507e+05 0.00e+00 a 0 H.10 HA.10
54 7.742 1.507 1 T 2.891e+05 0.00e+00 a 0 H.10 QG2.4
55 7.741 1.846 1 T 3.251e+05 0.00e+00 a 0 H.10 HB3.9
56 7.741 1.688 1 T 1.617e+06 0.00e+00 a 0 H.10 HB2.10
57 8.631 5.416 1 T 1.679e+06 0.00e+00 a 0 H.11 HA.11
58 8.625 4.503 1 T 4.944e+06 0.00e+00 a 0 H.11 HA.10
59 8.626 2.943 1 T 3.442e+05 0.00e+00 a 0 H.11 HB2.11
60 8.626 2.860 1 T 1.393e+06 0.00e+00 a 0 H.11 HB3.11
61 8.814 5.412 1 T 5.759e+06 0.00e+00 a 0 H.12 HA.11
62 8.804 4.927 1 T 5.677e+05 0.00e+00 a 0 H.12 HA.12
63 8.814 3.418 1 T 3.905e+05 0.00e+00 a 0 H.12 HB2.12
64 8.814 3.022 1 T 2.413e+06 0.00e+00 a 0 H.12 HB3.12
65 4.083 4.929 1 T 4.040e+06 0.00e+00 a 0 HD3.13 HA.12
66 7.912 4.589 1 T 1.184e+06 0.00e+00 a 0 H.14 HA.14
67 7.914 3.238 1 T 3.083e+05 0.00e+00 a 0 H.14 HB2.14
68 7.914 2.896 1 T 1.340e+06 0.00e+00 a 0 H.14 HB3.14
69 8.260 3.936 1 T 1.748e+06 0.00e+00 a 0 H.7 HB2.6
70 8.259 3.823 1 T 4.641e+05 0.00e+00 a 0 H.7 HB3.6
71 9.192 1.508 1 T 1.373e+06 0.00e+00 a 0 H.4 QG2.4
72 4.080 2.481 1 T 2.154e+05 0.00e+00 a 0 HD3.13 HB2.13
72 4.080 2.481 1 T 2.154e+05 0.00e+00 a 0 HD2.13 HB2.13
73 2.489 4.088 1 T 3.310e+05 0.00e+00 a 0 HB2.13 HD3.13
73 2.489 4.088 1 T 3.310e+05 0.00e+00 a 0 HB2.13 HD2.13
74 2.233 4.079 1 T 2.531e+06 0.00e+00 a 0 HG2.13 HD3.13
74 2.233 4.079 1 T 2.531e+06 0.00e+00 a 0 HG2.13 HD2.13
75 2.112 4.075 1 T 1.290e+06 0.00e+00 a 0 HG3.13 HD3.13
75 2.112 4.075 1 T 1.290e+06 0.00e+00 a 0 HG3.13 HD2.13
76 2.035 4.076 1 T 1.010e+06 0.00e+00 a 0 HB3.13 HD3.13
76 2.035 4.076 1 T 1.010e+06 0.00e+00 a 0 HB3.13 HD2.13
77 2.490 4.438 1 T 1.458e+06 0.00e+00 a 0 HB2.13 HA.13
78 2.233 4.439 1 T 2.348e+05 0.00e+00 a 0 HG2.13 HA.13
79 2.113 4.438 1 T 3.536e+05 0.00e+00 a 0 HG3.13 HA.13
80 2.017 4.434 1 T 4.558e+05 0.00e+00 a 0 HB3.13 HA.13
81 7.914 4.439 1 T 4.796e+05 0.00e+00 a 0 H.14 HA.13
82 7.914 4.079 1 T 5.648e+05 0.00e+00 a 0 H.14 HD2.13
82 7.914 4.079 1 T 5.648e+05 0.00e+00 a 0 H.14 HD3.13
83 5.828 5.412 1 T 4.256e+06 0.00e+00 a 0 HA.3 HA.11
84 5.413 5.828 1 T 2.747e+06 0.00e+00 a 0 HA.11 HA.3
85 5.818 3.143 1 T 7.497e+05 0.00e+00 a 0 HA.3 HB2.3
86 8.559 3.141 1 T 1.483e+06 0.00e+00 a 0 H.3 HB2.3
87 8.558 2.912 1 T 3.489e+05 0.00e+00 a 0 H.3 HB3.3
88 2.469 5.117 1 T 1.328e+06 0.00e+00 a 0 HB2.8 HA.8
89 2.043 5.116 1 T 8.097e+05 0.00e+00 a 0 HB3.8 HA.8
90 1.869 5.116 1 T 1.817e+05 0.00e+00 a 0 HG3.8 HA.8
91 9.192 2.906 1 T 1.199e+06 0.00e+00 a 0 H.4 HB3.3
92 9.191 3.132 1 T 2.401e+05 0.00e+00 a 0 H.4 HB2.3
93 9.191 1.688 1 T 2.297e+05 0.00e+00 a 0 H.4 HB3.10
93 9.191 1.688 1 T 2.297e+05 0.00e+00 a 0 H.4 HB2.10
94 9.192 7.741 1 T 1.202e+06 0.00e+00 a 0 H.4 H.10
95 8.814 2.947 1 T 1.151e+06 0.00e+00 a 0 H.12 HB2.11
96 8.814 2.870 1 T 2.777e+05 0.00e+00 a 0 H.12 HB3.11
97 8.629 1.687 1 T 3.843e+05 0.00e+00 a 0 H.11 HB3.10
97 8.629 1.687 1 T 3.843e+05 0.00e+00 a 0 H.11 HB2.10
98 8.585 4.607 1 T 2.197e+06 0.00e+00 a 0 H.5 HB.4
99 8.585 1.515 1 T 3.439e+05 0.00e+00 a 0 H.5 QG2.4
100 8.559 1.920 1 T 5.173e+05 0.00e+00 a 0 H.3 HB3.2
101 8.559 1.611 1 T 2.707e+05 0.00e+00 a 0 H.3 HG2.2
102 8.507 4.585 1 T 4.950e+05 0.00e+00 a 0 H.1 HA.14
103 8.506 7.686 1 T 1.472e+06 0.00e+00 a 0 H.1 H.2
104 8.506 7.915 1 T 1.209e+06 0.00e+00 a 0 H.1 H.14
105 8.585 7.367 1 T 7.439e+05 0.00e+00 a 0 H.5 H.6
106 8.812 7.330 1 T 3.916e+05 0.00e+00 a 0 H.12 QD.12
107 8.817 7.683 1 T 2.313e+05 0.00e+00 a 0 H.12 H.2
108 8.250 4.317 1 T 6.755e+05 0.00e+00 a 0 H.7 HA.7
109 7.914 3.420 1 T 8.537e+05 0.00e+00 a 0 H.14 HB2.12
110 7.913 3.023 1 T 6.919e+05 0.00e+00 a 0 H.14 HB3.12
111 7.914 2.030 1 T 5.685e+05 0.00e+00 a 0 H.14 HB3.13
112 7.914 8.505 1 T 1.475e+06 0.00e+00 a 0 H.14 H.1
113 7.741 9.193 1 T 1.212e+06 0.00e+00 a 0 H.10 H.4
114 7.739 2.444 1 T 2.928e+05 0.00e+00 a 0 H.10 HB2.9
115 7.686 3.024 1 T 3.920e+05 0.00e+00 a 0 H.2 HB3.12
116 7.686 1.976 1 T 1.483e+06 0.00e+00 a 0 H.2 HB2.2
117 7.687 1.920 1 T 6.996e+05 0.00e+00 a 0 H.2 HB3.2
118 7.685 1.611 1 T 6.805e+05 0.00e+00 a 0 H.2 HG2.2
118 7.685 1.611 1 T 6.805e+05 0.00e+00 a 0 H.2 HG3.2
119 7.684 8.506 1 T 1.634e+06 0.00e+00 a 0 H.2 H.1
120 7.687 8.816 1 T 3.219e+05 0.00e+00 a 0 H.2 H.12
121 7.367 4.607 1 T 6.263e+05 0.00e+00 a 0 H.6 HB.4
122 7.367 4.215 1 T 4.370e+05 0.00e+00 a 0 H.6 HA.9
123 7.330 3.419 1 T 8.146e+05 0.00e+00 a 0 QD.12 HB2.12
124 7.330 3.025 1 T 1.297e+06 0.00e+00 a 0 QD.12 HB3.12
125 7.329 4.082 1 T 6.153e+05 0.00e+00 a 0 QD.12 HD3.13
125 7.329 4.082 1 T 6.153e+05 0.00e+00 a 0 QD.12 HD2.13
126 7.332 4.933 1 T 3.915e+05 0.00e+00 a 0 QD.12 HA.12
127 7.325 5.817 1 T 1.778e+05 0.00e+00 a 0 QD.12 HA.3
128 7.329 5.406 1 T 1.992e+05 0.00e+00 a 0 QD.12 HA.11
129 7.326 1.502 1 T 2.402e+05 0.00e+00 a 0 QD.12 QG2.4
130 7.283 3.021 1 T 2.198e+05 0.00e+00 a 0 QE.12 HB3.12
131 7.281 1.507 1 T 6.397e+05 0.00e+00 a 0 QE.12 QG2.4
132 7.282 1.687 1 T 2.225e+05 0.00e+00 a 0 QE.12 HB2.10
132 7.282 1.687 1 T 2.225e+05 0.00e+00 a 0 QE.12 HB3.10
133 7.329 1.972 1 T 2.106e+05 0.00e+00 a 0 QD.12 HB2.2
134 7.229 1.509 1 T 3.262e+05 0.00e+00 a 0 HZ.12 QG2.4
135 7.328 8.812 1 T 6.292e+05 0.00e+00 a 0 QD.12 H.12
136 7.368 8.587 1 T 8.411e+05 0.00e+00 a 0 H.6 H.5
137 7.282 9.201 1 T 2.128e+05 0.00e+00 a 0 QE.12 H.4
138 5.826 2.906 1 T 9.271e+05 0.00e+00 a 0 HA.3 HB3.3
139 5.418 2.951 1 T 1.369e+05 0.00e+00 a 0 HA.11 HB2.11
140 5.411 2.857 1 T 9.314e+05 0.00e+00 a 0 HA.11 HB3.11
141 5.837 8.560 1 T 1.565e+06 0.00e+00 a 0 HA.3 H.3
142 5.827 8.814 1 T 4.391e+05 0.00e+00 a 0 HA.3 H.12
143 5.827 9.193 1 T 3.310e+06 0.00e+00 a 0 HA.3 H.4
144 5.401 8.624 1 T 1.417e+06 0.00e+00 a 0 HA.11 H.11
145 5.413 8.814 1 T 2.496e+06 0.00e+00 a 0 HA.11 H.12
146 5.412 9.192 1 T 2.330e+05 0.00e+00 a 0 HA.11 H.4
147 4.945 3.023 1 T 4.679e+05 0.00e+00 a 0 HA.12 HB3.12
148 3.928 4.413 1 T 1.273e+06 0.00e+00 a 0 HB2.6 HA.6
149 3.823 4.409 1 T 1.244e+06 0.00e+00 a 0 HB3.6 HA.6
150 4.420 3.936 1 T 3.787e+05 0.00e+00 a 0 - -
151 3.792 4.356 1 T 9.729e+06 0.00e+00 a 0 HA3.1 HA2.1
152 4.370 3.790 1 T 7.435e+06 0.00e+00 a 0 HA2.1 HA3.1
153 4.082 3.420 1 T 2.314e+06 0.00e+00 a 0 HD2.13 HB2.12
153 4.082 3.420 1 T 2.314e+06 0.00e+00 a 0 HD3.13 HB2.12
154 4.084 3.028 1 T 2.536e+05 0.00e+00 a 0 HD2.13 HB3.12
154 4.084 3.028 1 T 2.536e+05 0.00e+00 a 0 HD3.13 HB3.12
155 4.081 2.238 1 T 1.929e+06 0.00e+00 a 0 HD2.13 HG2.13
155 4.081 2.238 1 T 1.929e+06 0.00e+00 a 0 HD3.13 HG2.13
156 4.097 2.126 1 T 8.230e+05 0.00e+00 a 0 HD2.13 HG3.13
157 4.079 2.033 1 T 6.167e+05 0.00e+00 a 0 HD3.13 HB3.13
157 4.079 2.033 1 T 6.167e+05 0.00e+00 a 0 HD2.13 HB3.13
158 3.931 3.811 1 T 2.104e+07 0.00e+00 a 0 HB2.6 HB3.6
159 3.820 3.959 1 T 1.973e+07 0.00e+00 a 0 HB3.6 HB2.6
160 3.827 2.112 1 T 2.691e+06 0.00e+00 a 0 HD2.9 HG3.9
160 3.827 2.112 1 T 2.691e+06 0.00e+00 a 0 HD2.9 HG2.9
161 3.704 2.083 1 T 3.227e+06 0.00e+00 a 0 HD3.9 HG3.9
161 3.704 2.083 1 T 3.227e+06 0.00e+00 a 0 HD3.9 HG2.9
162 3.824 3.702 1 T 2.213e+07 0.00e+00 a 0 HD2.9 HD3.9
163 3.706 3.829 1 T 2.567e+07 0.00e+00 a 0 HD3.9 HD2.9
164 3.417 4.933 1 T 1.003e+06 0.00e+00 a 0 HB2.12 HA.12
165 3.419 4.078 1 T 2.588e+06 0.00e+00 a 0 HB2.12 HD3.13
165 3.419 4.078 1 T 2.588e+06 0.00e+00 a 0 HB2.12 HD2.13
166 3.417 3.023 1 T 4.831e+06 0.00e+00 a 0 HB2.12 HB3.12
167 3.241 4.580 1 T 5.465e+05 0.00e+00 a 0 HB2.14 HA.14
168 2.892 4.582 1 T 5.726e+05 0.00e+00 a 0 HB3.14 HA.14
169 2.892 3.240 1 T 6.170e+06 0.00e+00 a 0 HB3.14 HB2.14
170 3.242 2.890 1 T 4.320e+06 0.00e+00 a 0 HB2.14 HB3.14
171 4.316 0.864 1 T 3.861e+05 0.00e+00 a 0 HA.7 -
172 3.044 1.718 1 T -1.916e+06 0.00e+00 a 0 HE2.5 HD3.5
172 3.044 1.718 1 T -1.916e+06 0.00e+00 a 0 HE2.5 HB3.5
172 3.044 1.718 1 T -1.916e+06 0.00e+00 a 0 HE2.5 HD2.5
173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HD3.5 HE3.5
173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HD3.5 HE2.5
173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HB3.5 HE3.5
173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HB3.5 HE2.5
173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HD2.5 HE3.5
173 1.717 3.042 1 T -2.381e+06 0.00e+00 a 0 HD2.5 HE2.5
174 1.541 3.042 1 T -4.462e+05 0.00e+00 a 0 HG2.5 HE2.5
174 1.541 3.042 1 T -4.462e+05 0.00e+00 a 0 HG2.5 HE3.5
175 1.446 3.042 1 T -3.748e+05 0.00e+00 a 0 HG3.5 HE3.5
175 1.446 3.042 1 T -3.748e+05 0.00e+00 a 0 HG3.5 HE2.5
176 3.201 1.983 1 T 2.859e+04 0.00e+00 a 0 HD2.2 HB2.2
176 3.201 1.983 1 T 2.859e+04 0.00e+00 a 0 HD3.2 HB2.2
177 3.199 1.921 1 T 1.061e+05 0.00e+00 a 0 HD3.2 HB3.2
177 3.199 1.921 1 T 1.061e+05 0.00e+00 a 0 HD2.2 HB3.2
178 3.201 1.610 1 T 3.374e+06 0.00e+00 a 0 HD2.2 HG3.2
178 3.201 1.610 1 T 3.374e+06 0.00e+00 a 0 HD2.2 HG2.2
178 3.201 1.610 1 T 3.374e+06 0.00e+00 a 0 HD3.2 HG3.2
178 3.201 1.610 1 T 3.374e+06 0.00e+00 a 0 HD3.2 HG2.2
179 3.121 2.904 1 T 1.633e+07 0.00e+00 a 0 HB2.3 HB3.3
180 2.914 3.136 1 T 2.168e+07 0.00e+00 a 0 HB3.3 HB2.3
181 3.094 1.328 1 T -4.947e+05 0.00e+00 a 0 HD3.10 HG3.10
181 3.094 1.328 1 T -4.947e+05 0.00e+00 a 0 HD2.10 HG3.10
182 3.096 1.446 1 T 2.532e+06 0.00e+00 a 0 HD3.10 HG2.10
182 3.096 1.446 1 T 2.532e+06 0.00e+00 a 0 HD2.10 HG2.10
183 3.137 5.825 1 T 2.822e+05 0.00e+00 a 0 HB2.3 HA.3
184 2.906 5.829 1 T 7.930e+05 0.00e+00 a 0 HB3.3 HA.3
185 2.946 5.416 1 T 6.455e+05 0.00e+00 a 0 HB2.11 HA.11
186 2.862 5.411 1 T 1.710e+06 0.00e+00 a 0 HB3.11 HA.11
187 3.022 4.939 1 T 2.913e+05 0.00e+00 a 0 HB3.12 HA.12
188 3.024 3.416 1 T 5.379e+06 0.00e+00 a 0 HB3.12 HB2.12
189 3.039 4.083 1 T 3.776e+05 0.00e+00 a 0 - -
190 3.025 4.080 1 T 3.680e+05 0.00e+00 a 0 HB3.12 HD2.13
190 3.025 4.080 1 T 3.680e+05 0.00e+00 a 0 HB3.12 HD3.13
191 2.442 4.216 1 T 1.803e+06 0.00e+00 a 0 HB2.9 HA.9
192 2.089 4.213 1 T 1.024e+05 0.00e+00 a 0 HG3.9 HA.9
193 1.849 4.213 1 T -8.537e+04 0.00e+00 a 0 HB3.9 HA.9
194 2.067 4.543 1 T 8.881e+05 0.00e+00 a 0 HB2.5 HA.5
195 1.966 4.484 1 T 5.884e+05 0.00e+00 a 0 HB2.2 HA.2
196 1.917 4.487 1 T 7.062e+05 0.00e+00 a 0 HB3.2 HA.2
197 1.611 4.489 1 T 5.922e+05 0.00e+00 a 0 HG3.2 HA.2
197 1.611 4.489 1 T 5.922e+05 0.00e+00 a 0 HG2.2 HA.2
198 1.915 3.199 1 T 2.143e+05 0.00e+00 a 0 HB3.2 HD3.2
198 1.915 3.199 1 T 2.143e+05 0.00e+00 a 0 HB3.2 HD2.2
199 1.606 3.199 1 T 2.951e+06 0.00e+00 a 0 HG3.2 HD3.2
199 1.606 3.199 1 T 2.951e+06 0.00e+00 a 0 HG3.2 HD2.2
199 1.606 3.199 1 T 2.951e+06 0.00e+00 a 0 HG2.2 HD3.2
199 1.606 3.199 1 T 2.951e+06 0.00e+00 a 0 HG2.2 HD2.2
200 1.903 1.616 1 T 5.201e+06 0.00e+00 a 0 HB3.2 HG3.2
200 1.903 1.616 1 T 5.201e+06 0.00e+00 a 0 HB3.2 HG2.2
201 1.627 1.916 1 T 5.752e+06 0.00e+00 a 0 HG3.2 HB3.2
201 1.627 1.916 1 T 5.752e+06 0.00e+00 a 0 HG2.2 HB3.2
202 2.445 3.828 1 T 4.062e+05 0.00e+00 a 0 HB2.9 HD2.9
203 2.460 3.704 1 T 3.998e+05 0.00e+00 a 0 HB2.9 HD3.9
204 2.113 3.826 1 T 2.231e+06 0.00e+00 a 0 HG2.9 HD2.9
205 1.847 3.828 1 T 2.507e+05 0.00e+00 a 0 HB3.9 HD2.9
206 1.850 3.704 1 T 4.345e+05 0.00e+00 a 0 HB3.9 HD3.9
208 2.106 3.701 1 T 1.353e+06 0.00e+00 a 0 HG2.9 HD3.9
208 2.106 3.701 1 T 1.353e+06 0.00e+00 a 0 HG3.9 HD3.9
209 2.472 3.568 1 T 3.371e+05 0.00e+00 a 0 HB2.8 HD2.8
209 2.472 3.568 1 T 3.371e+05 0.00e+00 a 0 HB2.8 HD3.8
210 2.045 3.581 1 T 2.487e+05 0.00e+00 a 0 HB3.8 HD3.8
210 2.045 3.581 1 T 2.487e+05 0.00e+00 a 0 HB3.8 HD2.8
211 1.979 3.581 1 T 2.633e+06 0.00e+00 a 0 HG2.8 HD3.8
211 1.979 3.581 1 T 2.633e+06 0.00e+00 a 0 HG2.8 HD2.8
212 1.859 3.581 1 T 2.091e+06 0.00e+00 a 0 HG3.8 HD2.8
212 1.859 3.581 1 T 2.091e+06 0.00e+00 a 0 HG3.8 HD3.8
213 1.971 2.467 1 T 2.315e+06 0.00e+00 a 0 HG2.8 HB2.8
214 2.043 2.467 1 T 6.219e+06 0.00e+00 a 0 HB3.8 HB2.8
215 1.859 2.471 1 T 3.121e+06 0.00e+00 a 0 HG3.8 HB2.8
216 2.468 1.859 1 T 4.637e+06 0.00e+00 a 0 HB2.8 HG3.8
217 2.489 2.039 1 T 9.490e+06 0.00e+00 a 0 - -
218 2.424 2.123 1 T 1.046e+06 0.00e+00 a 0 - -
219 2.478 2.238 1 T 2.486e+05 0.00e+00 a 0 HB2.13 HG2.13
220 2.239 2.482 1 T 1.665e+06 0.00e+00 a 0 HG2.13 HB2.13
221 1.818 4.309 1 T 5.075e+05 0.00e+00 a 0 HB.7 HA.7
222 1.806 1.099 1 T 4.510e+05 0.00e+00 a 0 HB.7 HG12.7
223 1.855 0.869 1 T 7.219e+05 0.00e+00 a 0 - -
224 1.785 0.865 1 T 1.696e+05 0.00e+00 a 0 - -
225 1.483 1.098 1 T 3.734e+06 0.00e+00 a 0 HG13.7 HG12.7
226 1.497 0.871 1 T 3.981e+06 0.00e+00 a 0 HG13.7 -
227 1.084 0.870 1 T 1.204e+07 0.00e+00 a 0 HG12.7 -
228 1.088 1.482 1 T 3.826e+06 0.00e+00 a 0 HG12.7 HG13.7
229 1.134 1.827 1 T 2.697e+05 0.00e+00 a 0 - -
230 1.078 1.816 1 T 2.925e+05 0.00e+00 a 0 HG12.7 HB.7
231 1.095 4.318 1 T 3.990e+05 0.00e+00 a 0 HG12.7 HA.7
232 0.864 4.316 1 T 2.197e+06 0.00e+00 a 0 - HA.7
233 1.502 4.294 1 T 3.308e+05 0.00e+00 a 0 HG13.7 HA.7
234 0.863 5.114 1 T 1.291e+06 0.00e+00 a 0 - HA.8
235 1.507 4.611 1 T 2.625e+06 0.00e+00 a 0 QG2.4 HB.4
236 1.506 4.531 1 T 1.643e+06 0.00e+00 a 0 QG2.4 HA.4
237 0.868 3.835 1 T 6.514e+05 0.00e+00 a 0 - -
238 2.443 2.911 1 T 3.579e+05 0.00e+00 a 0 HB2.9 -
239 1.843 2.905 1 T 6.475e+05 0.00e+00 a 0 HB3.9 -
240 2.036 2.234 1 T 3.535e+06 0.00e+00 a 0 HB3.13 HG2.13
241 2.226 2.034 1 T 4.777e+06 0.00e+00 a 0 HG2.13 HB3.13
242 2.232 2.118 1 T 2.303e+07 0.00e+00 a 0 HG2.13 HG3.13
243 2.123 2.238 1 T 1.822e+07 0.00e+00 a 0 HG3.13 HG2.13
244 1.440 3.096 1 T 1.579e+06 0.00e+00 a 0 HG2.10 HD2.10
244 1.440 3.096 1 T 1.579e+06 0.00e+00 a 0 HG2.10 HD3.10
245 1.327 3.076 1 T 4.366e+05 0.00e+00 a 0 HG3.10 HD3.10
245 1.327 3.076 1 T 4.366e+05 0.00e+00 a 0 HG3.10 HD2.10
246 1.336 1.678 1 T 1.610e+06 0.00e+00 a 0 HG3.10 HB3.10
246 1.336 1.678 1 T 1.610e+06 0.00e+00 a 0 HG3.10 HB2.10
247 1.458 1.703 1 T 1.652e+07 0.00e+00 a 0 - -
248 1.548 1.719 1 T 1.817e+07 0.00e+00 a 0 - -
249 1.713 1.541 1 T 1.269e+07 0.00e+00 a 0 - -
250 1.679 1.445 1 T 1.512e+07 0.00e+00 a 0 - -
251 1.688 1.331 1 T 9.348e+05 0.00e+00 a 0 HB3.10 HG3.10
251 1.688 1.331 1 T 9.348e+05 0.00e+00 a 0 HB2.10 HG3.10
252 2.041 1.854 1 T 1.036e+06 0.00e+00 a 0 - -
253 2.093 1.841 1 T 1.011e+06 0.00e+00 a 0 - -
254 2.050 1.712 1 T 2.230e+06 0.00e+00 a 0 - -
255 2.088 1.540 1 T 1.434e+06 0.00e+00 a 0 - -
256 2.082 1.401 1 T 1.409e+05 0.00e+00 a 0 - -
257 0.875 1.095 1 T 1.952e+07 0.00e+00 a 0 - -
258 0.862 1.483 1 T 7.692e+06 0.00e+00 a 0 - -
259 1.455 2.125 1 T 3.071e+05 0.00e+00 a 0 - -
260 1.518 2.066 1 T 2.404e+06 0.00e+00 a 0 - -
261 1.403 2.071 1 T 2.395e+05 0.00e+00 a 0 - -
262 1.434 2.052 1 T 6.047e+05 0.00e+00 a 0 - -
263 1.444 2.032 1 T 6.409e+05 0.00e+00 a 0 - -
264 1.729 2.065 1 T 3.134e+06 0.00e+00 a 0 - -
265 1.691 4.505 1 T 1.391e+06 0.00e+00 a 0 HB3.10 HA.10
265 1.691 4.505 1 T 1.391e+06 0.00e+00 a 0 HB2.10 HA.10
266 9.191 4.213 1 T 1.285e+05 0.00e+00 a 0 - -
267 8.816 4.083 1 T 1.162e+05 0.00e+00 a 0 - -
268 7.914 2.485 1 T 1.383e+05 0.00e+00 a 0 - -
269 7.915 2.243 1 T 1.064e+05 0.00e+00 a 0 - -
270 8.249 5.110 1 T 1.081e+05 0.00e+00 a 0 H.7 HA.8
271 7.737 5.825 1 T 1.035e+05 0.00e+00 a 0 H.10 HA.3
272 8.280 6.249 1 T 1.057e+05 0.00e+00 a 0 - -
273 9.196 7.340 1 T 8.447e+04 0.00e+00 a 0 - -
274 9.197 7.308 1 T 8.162e+04 0.00e+00 a 0 - -
275 9.193 8.572 1 T 1.173e+05 0.00e+00 a 0 H.4 H.5
276 7.536 4.774 1 T 1.881e+05 0.00e+00 a 0 - -
277 5.118 0.864 1 T 1.628e+05 0.00e+00 a 0 - -
278 4.314 1.096 1 T 1.816e+05 0.00e+00 a 0 - -
279 3.828 0.867 1 T 2.008e+05 0.00e+00 a 0 - -
280 3.706 0.865 1 T 1.269e+05 0.00e+00 a 0 - -
281 3.573 0.862 1 T 2.033e+05 0.00e+00 a 0 - -
282 4.445 2.496 1 T 2.908e+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 . . 30666 1
2 . . H 1 H . . 12 ppm . . . 4.76 . . 30666 1
stop_
save_