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 30667
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_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 8.420 4.287 1 T 6.449e+05 0.00e+00 a 0 H.1 HA2.1
2 8.426 3.827 1 T 1.511e+06 0.00e+00 a 0 H.1 HA3.1
3 7.837 4.284 1 T 3.027e+05 0.00e+00 a 0 H.2 HA2.1
4 7.837 4.478 1 T 4.999e+05 0.00e+00 a 0 H.2 HA.2
5 7.798 2.014 1 T 2.741e+05 0.00e+00 a 0 H.14 HB3.13
6 7.838 1.942 1 T 1.055e+06 0.00e+00 a 0 H.2 HB3.2
7 8.614 4.468 1 T 2.513e+06 0.00e+00 a 0 H.5 HA.4
8 8.612 4.662 1 T 7.123e+05 0.00e+00 a 0 H.5 HA.5
9 8.614 3.329 1 T 4.121e+05 0.00e+00 a 0 H.5 HB2.5
10 8.614 3.059 1 T 8.329e+05 0.00e+00 a 0 H.5 HB3.5
11 8.448 5.509 1 T 7.638e+05 0.00e+00 a 0 H.3 HA.3
12 8.449 2.893 1 T 1.655e+06 0.00e+00 a 0 H.3 HB2.3
12 8.449 2.893 1 T 1.655e+06 0.00e+00 a 0 H.3 HB2.11
12 8.449 2.893 1 T 1.655e+06 0.00e+00 a 0 H.11 HB2.3
12 8.449 2.893 1 T 1.655e+06 0.00e+00 a 0 H.11 HB2.11
13 8.453 4.477 1 T 2.903e+06 0.00e+00 a 0 H.3 HA.2
14 9.102 5.509 1 T 2.733e+06 0.00e+00 a 0 H.4 HA.3
15 9.110 4.469 1 T 4.720e+05 0.00e+00 a 0 H.4 HA.4
16 9.102 1.690 1 T 1.103e+06 0.00e+00 a 0 H.4 HG.4
16 9.102 1.690 1 T 1.103e+06 0.00e+00 a 0 H.4 HB2.4
17 7.465 4.656 1 T 8.459e+05 0.00e+00 a 0 H.6 HA.5
18 7.468 4.357 1 T 6.551e+05 0.00e+00 a 0 H.6 HA.6
19 8.336 5.026 1 T 4.617e+05 0.00e+00 a 0 H.7 HA.7
20 8.344 4.357 1 T 1.169e+06 0.00e+00 a 0 H.7 HA.6
21 8.344 3.934 1 T 1.044e+06 0.00e+00 a 0 H.7 HB2.6
22 8.343 2.878 1 T 5.784e+05 0.00e+00 a 0 H.7 HB2.7
23 8.345 2.629 1 T 3.083e+05 0.00e+00 a 0 H.7 HB3.7
24 3.596 1.961 1 T 1.172e+06 0.00e+00 a 0 HD2.8 HG2.8
25 3.603 1.849 1 T 5.839e+05 0.00e+00 a 0 HD2.8 HG3.8
26 3.512 1.969 1 T 1.043e+06 0.00e+00 a 0 HD3.8 HG2.8
27 3.503 1.832 1 T 7.632e+05 0.00e+00 a 0 HD3.8 HG3.8
28 2.415 5.097 1 T 6.504e+05 0.00e+00 a 0 HB2.8 HA.8
29 2.111 5.100 1 T 8.203e+05 0.00e+00 a 0 HB3.8 HA.8
30 1.963 3.506 1 T 9.864e+05 0.00e+00 a 0 HG2.8 HD3.8
31 1.821 3.502 1 T 6.054e+05 0.00e+00 a 0 HG3.8 HD3.8
32 1.951 3.597 1 T 8.255e+05 0.00e+00 a 0 HG2.8 HD2.8
33 1.838 3.600 1 T 7.733e+05 0.00e+00 a 0 HG3.8 HD2.8
34 2.107 3.597 1 T 3.700e+05 0.00e+00 a 0 HB3.8 HD2.8
35 2.875 5.027 1 T 7.410e+05 0.00e+00 a 0 HB2.7 HA.7
36 2.629 5.031 1 T 5.264e+05 0.00e+00 a 0 HB3.7 HA.7
37 3.872 5.099 1 T 1.922e+06 0.00e+00 a 0 HD2.9 HA.8
38 3.660 5.099 1 T 1.037e+06 0.00e+00 a 0 HD3.9 HA.8
39 3.866 3.657 1 T 8.771e+06 0.00e+00 a 0 - -
40 3.663 3.874 1 T 8.457e+06 0.00e+00 a 0 - -
41 3.872 2.101 1 T 1.927e+06 0.00e+00 a 0 HD2.9 HG3.9
42 3.657 2.098 1 T 1.693e+06 0.00e+00 a 0 HD3.9 HG3.9
43 2.118 4.430 1 T 5.476e+05 0.00e+00 a 0 HG3.13 HA.9
43 2.118 4.430 1 T 5.476e+05 0.00e+00 a 0 HG3.13 HA.13
43 2.118 4.430 1 T 5.476e+05 0.00e+00 a 0 HG3.9 HA.9
43 2.118 4.430 1 T 5.476e+05 0.00e+00 a 0 HG3.9 HA.13
44 1.851 4.429 1 T 9.368e+05 0.00e+00 a 0 HB3.9 HA.9
45 2.105 3.874 1 T 1.714e+06 0.00e+00 a 0 HG3.9 HD2.9
46 2.110 3.660 1 T 1.380e+06 0.00e+00 a 0 HG3.9 HD3.9
47 1.855 3.654 1 T 3.858e+05 0.00e+00 a 0 HB3.9 HD3.9
48 1.856 3.654 1 T 3.858e+05 0.00e+00 a 0 HB3.9 HD3.9
49 7.718 4.430 1 T 2.049e+06 0.00e+00 a 0 H.10 HA.9
50 7.736 4.209 1 T 3.601e+05 0.00e+00 a 0 H.10 HA.10
51 7.720 1.670 1 T 6.421e+05 0.00e+00 a 0 H.10 HB.10
52 8.447 4.206 1 T 3.139e+06 0.00e+00 a 0 H.11 HA.10
53 8.448 5.247 1 T 6.732e+05 0.00e+00 a 0 H.11 HA.11
54 8.767 5.246 1 T 3.205e+06 0.00e+00 a 0 H.12 HA.11
55 8.759 4.924 1 T 3.728e+05 0.00e+00 a 0 H.12 HA.12
56 8.766 3.107 1 T 1.410e+06 0.00e+00 a 0 H.12 HB3.12
57 8.767 5.510 1 T 3.596e+05 0.00e+00 a 0 H.12 HA.3
58 9.103 5.247 1 T 2.816e+05 0.00e+00 a 0 H.4 HA.11
59 4.074 4.924 1 T 1.751e+06 0.00e+00 a 0 HD2.13 HA.12
60 4.035 4.926 1 T 1.108e+06 0.00e+00 a 0 - -
61 4.072 2.467 1 T 1.037e+05 0.00e+00 a 0 HD2.13 HB2.13
62 2.471 4.444 1 T 8.744e+05 0.00e+00 a 0 HB2.13 HA.13
63 2.226 4.429 1 T 3.178e+05 0.00e+00 a 0 - -
64 2.469 4.075 1 T 1.354e+05 0.00e+00 a 0 HB2.13 HD2.13
65 2.469 4.032 1 T 1.374e+05 0.00e+00 a 0 HB2.13 HD3.13
66 2.203 4.036 1 T 8.538e+05 0.00e+00 a 0 HG2.13 HD3.13
67 2.203 4.074 1 T 7.543e+05 0.00e+00 a 0 HG2.13 HD2.13
68 2.113 4.034 1 T 5.256e+05 0.00e+00 a 0 HG3.13 HD3.13
69 2.112 4.068 1 T 5.875e+05 0.00e+00 a 0 HG3.13 HD2.13
70 2.018 4.036 1 T 4.067e+05 0.00e+00 a 0 HB3.13 HD3.13
71 2.018 4.074 1 T 3.567e+05 0.00e+00 a 0 HB3.13 HD2.13
72 2.112 4.432 1 T 5.476e+05 0.00e+00 a 0 HG3.13 HA.9
72 2.112 4.432 1 T 5.476e+05 0.00e+00 a 0 HG3.13 HA.13
72 2.112 4.432 1 T 5.476e+05 0.00e+00 a 0 HG3.9 HA.9
72 2.112 4.432 1 T 5.476e+05 0.00e+00 a 0 HG3.9 HA.13
73 7.800 4.442 1 T 3.799e+05 0.00e+00 a 0 H.14 HA.13
74 7.799 4.589 1 T 7.776e+05 0.00e+00 a 0 H.14 HA.14
75 7.799 2.900 1 T 8.163e+05 0.00e+00 a 0 H.14 HB3.14
76 4.032 3.380 1 T 9.379e+05 0.00e+00 a 0 HD3.13 HB2.12
77 4.069 3.376 1 T 7.024e+05 0.00e+00 a 0 - -
78 7.426 6.615 1 T 3.208e+07 0.00e+00 a 0 HD21.14 HD22.14
79 7.583 6.878 1 T 2.824e+07 0.00e+00 a 0 HD22.7 HD21.7
80 9.102 2.597 1 T 5.944e+05 0.00e+00 a 0 H.4 HB3.11
81 9.102 7.719 1 T 3.514e+05 0.00e+00 a 0 H.4 H.10
82 8.422 7.823 1 T 1.089e+06 0.00e+00 a 0 H.1 H.2
83 8.767 2.887 1 T 8.787e+05 0.00e+00 a 0 H.12 HB2.11
84 8.452 1.928 1 T 4.798e+05 0.00e+00 a 0 H.3 HB3.2
85 8.614 1.503 1 T 3.738e+05 0.00e+00 a 0 H.5 HB3.4
86 8.449 0.636 1 T 2.988e+05 0.00e+00 a 0 H.11 QG2.10
87 8.426 4.591 1 T 2.658e+05 0.00e+00 a 0 H.1 HA.14
88 8.766 3.377 1 T 2.497e+05 0.00e+00 a 0 H.12 HB2.12
89 9.099 2.901 1 T 2.721e+05 0.00e+00 a 0 H.4 HB2.3
90 7.839 3.828 1 T 2.856e+05 0.00e+00 a 0 H.2 HA3.1
91 7.800 4.038 1 T 2.265e+05 0.00e+00 a 0 H.14 HD3.13
92 7.799 3.381 1 T 4.980e+05 0.00e+00 a 0 H.14 HB2.12
93 7.837 3.108 1 T 2.564e+05 0.00e+00 a 0 H.2 HB3.12
94 7.798 3.105 1 T 3.763e+05 0.00e+00 a 0 H.14 HB3.12
95 8.454 2.601 1 T 2.320e+05 0.00e+00 a 0 H.3 HB3.11
95 8.454 2.601 1 T 2.320e+05 0.00e+00 a 0 H.3 HB3.3
95 8.454 2.601 1 T 2.320e+05 0.00e+00 a 0 H.11 HB3.11
95 8.454 2.601 1 T 2.320e+05 0.00e+00 a 0 H.11 HB3.3
96 9.105 1.502 1 T 1.743e+05 0.00e+00 a 0 H.4 HB3.4
97 9.103 0.636 1 T 1.403e+05 0.00e+00 a 0 H.4 QG2.10
98 9.109 0.997 1 T 1.511e+05 0.00e+00 a 0 H.4 QD1.4
99 8.613 1.686 1 T 2.417e+05 0.00e+00 a 0 H.5 HD2.2
99 8.613 1.686 1 T 2.417e+05 0.00e+00 a 0 H.5 HD3.2
100 8.613 0.952 1 T 2.500e+05 0.00e+00 a 0 H.5 QD2.4
101 8.613 0.993 1 T 2.129e+05 0.00e+00 a 0 H.5 QD1.4
102 8.759 0.820 1 T 1.613e+05 0.00e+00 a 0 H.12 QD1.10
103 8.755 1.669 1 T 1.515e+05 0.00e+00 a 0 H.12 HB.10
104 8.433 1.137 1 T 1.623e+05 0.00e+00 a 0 - -
105 8.441 1.675 1 T 2.065e+05 0.00e+00 a 0 H.11 HB.10
106 8.343 3.733 1 T 2.654e+05 0.00e+00 a 0 H.7 HB3.6
107 7.717 0.639 1 T 1.705e+05 0.00e+00 a 0 H.10 QG2.10
108 7.722 0.997 1 T 2.276e+05 0.00e+00 a 0 H.10 HG13.10
109 7.839 1.402 1 T 1.510e+05 0.00e+00 a 0 H.2 HG2.2
110 7.425 3.225 1 T 3.602e+05 0.00e+00 a 0 HD21.14 HB2.14
111 7.426 2.902 1 T 4.412e+05 0.00e+00 a 0 HD21.14 HB3.14
112 7.312 3.374 1 T 1.903e+05 0.00e+00 a 0 QD.12 HB2.12
113 7.318 3.102 1 T 5.036e+05 0.00e+00 a 0 QD.12 HB3.12
114 7.284 3.103 1 T 1.144e+05 0.00e+00 a 0 - -
115 7.466 3.329 1 T 4.070e+05 0.00e+00 a 0 H.6 HB2.5
116 7.464 3.063 1 T 1.670e+05 0.00e+00 a 0 H.6 HB3.5
117 7.463 2.108 1 T 2.109e+05 0.00e+00 a 0 H.6 HB3.8
118 7.460 1.689 1 T 1.893e+05 0.00e+00 a 0 H.6 HD3.2
119 6.615 3.224 1 T 2.241e+05 0.00e+00 a 0 HD22.14 HB2.14
120 6.614 2.901 1 T 3.282e+05 0.00e+00 a 0 HD22.14 HB3.14
121 6.615 1.938 1 T 1.859e+05 0.00e+00 a 0 HD22.14 HB3.2
122 7.423 1.944 1 T 1.395e+05 0.00e+00 a 0 HD21.14 HB3.2
123 7.581 2.879 1 T 2.143e+05 0.00e+00 a 0 HD22.7 HB2.7
124 7.464 4.432 1 T 3.713e+05 0.00e+00 a 0 H.6 HA.9
125 7.719 1.853 1 T 2.073e+05 0.00e+00 a 0 H.10 HB3.9
126 7.464 3.930 1 T 1.333e+05 0.00e+00 a 0 H.6 HB2.6
127 7.464 3.734 1 T 2.256e+05 0.00e+00 a 0 H.6 HB3.6
128 7.720 1.468 1 T 1.736e+05 0.00e+00 a 0 H.10 HG12.10
129 7.321 0.641 1 T 2.578e+05 0.00e+00 a 0 - QG2.10
130 7.284 0.638 1 T 4.432e+05 0.00e+00 a 0 - QG2.10
131 7.285 0.996 1 T 3.890e+05 0.00e+00 a 0 - HG13.10
132 7.320 0.989 1 T 2.026e+05 0.00e+00 a 0 - HG13.10
133 7.315 0.825 1 T 2.141e+05 0.00e+00 a 0 - QD1.10
134 7.284 0.828 1 T 1.380e+05 0.00e+00 a 0 - QD1.10
135 7.317 1.674 1 T 3.561e+05 0.00e+00 a 0 - HB.10
136 7.282 1.680 1 T 4.258e+05 0.00e+00 a 0 - HB.10
137 7.278 2.286 1 T 2.488e+05 0.00e+00 a 0 - HB2.9
138 7.317 2.258 1 T 2.904e+05 0.00e+00 a 0 - -
139 7.719 2.257 1 T 1.487e+05 0.00e+00 a 0 H.10 HB2.9
140 7.275 2.891 1 T 2.146e+05 0.00e+00 a 0 - -
141 7.324 4.034 1 T 1.749e+05 0.00e+00 a 0 - HD3.13
142 7.655 6.998 1 T 1.061e+06 0.00e+00 a 0 - -
143 7.837 8.420 1 T 7.283e+05 0.00e+00 a 0 H.2 H.1
144 7.800 8.418 1 T 4.827e+05 0.00e+00 a 0 H.2 H.1
145 5.511 5.246 1 T 1.514e+06 0.00e+00 a 0 HA.3 HA.11
146 5.245 5.509 1 T 5.534e+05 0.00e+00 a 0 HA.11 HA.3
147 5.509 2.596 1 T 1.212e+06 0.00e+00 a 0 HA.3 HB3.3
148 5.485 2.911 1 T 9.312e+05 0.00e+00 a 0 HA.3 HB2.3
149 5.238 2.910 1 T 4.724e+05 0.00e+00 a 0 HA.11 HB2.11
150 5.275 2.861 1 T 4.442e+05 0.00e+00 a 0 HA.11 HB2.11
151 5.509 9.103 1 T 1.534e+06 0.00e+00 a 0 HA.3 H.4
152 5.248 8.768 1 T 8.189e+05 0.00e+00 a 0 HA.11 H.12
153 5.515 8.453 1 T 5.794e+05 0.00e+00 a 0 HA.3 H.3
154 5.240 8.447 1 T 3.972e+05 0.00e+00 a 0 HA.11 H.11
155 2.604 5.509 1 T 1.080e+06 0.00e+00 a 0 HB3.3 HA.3
156 2.946 5.515 1 T 4.325e+05 0.00e+00 a 0 HB2.3 HA.3
157 2.913 5.476 1 T 3.544e+05 0.00e+00 a 0 HB2.3 HA.3
158 2.880 5.246 1 T 1.146e+06 0.00e+00 a 0 HB2.11 HA.11
159 2.913 5.240 1 T 5.399e+05 0.00e+00 a 0 - -
160 3.372 4.923 1 T 9.007e+05 0.00e+00 a 0 HB2.12 HA.12
161 3.133 4.926 1 T 2.896e+05 0.00e+00 a 0 HB3.12 HA.12
162 3.114 3.380 1 T 1.439e+07 0.00e+00 a 0 HB3.12 HB2.12
163 3.372 3.108 1 T 1.615e+07 0.00e+00 a 0 HB2.12 HB3.12
164 3.324 4.656 1 T 9.266e+05 0.00e+00 a 0 HB2.5 HA.5
165 3.059 4.616 1 T 3.797e+05 0.00e+00 a 0 HB3.5 HA.5
166 3.319 3.059 1 T 1.468e+07 0.00e+00 a 0 HB2.5 HB3.5
167 3.066 3.326 1 T 1.475e+07 0.00e+00 a 0 HB3.5 HB2.5
168 3.243 4.587 1 T 4.838e+05 0.00e+00 a 0 HB2.14 HA.14
169 3.208 4.587 1 T 6.522e+05 0.00e+00 a 0 HB2.14 HA.14
170 2.878 4.588 1 T 4.773e+05 0.00e+00 a 0 HB3.14 HA.14
171 2.920 4.586 1 T 5.821e+05 0.00e+00 a 0 HB3.14 HA.14
172 2.908 3.226 1 T 1.635e+07 0.00e+00 a 0 HB3.14 HB2.14
173 3.218 2.900 1 T 1.722e+07 0.00e+00 a 0 HB2.14 HB3.14
174 2.960 1.353 1 T -2.353e+05 0.00e+00 a 0 HE3.2 HG3.2
174 2.960 1.353 1 T -2.353e+05 0.00e+00 a 0 HE2.2 HG3.2
175 2.941 1.673 1 T 2.518e+06 0.00e+00 a 0 HE2.2 HD3.2
175 2.941 1.673 1 T 2.518e+06 0.00e+00 a 0 HE2.2 HD2.2
175 2.941 1.673 1 T 2.518e+06 0.00e+00 a 0 HE3.2 HD3.2
175 2.941 1.673 1 T 2.518e+06 0.00e+00 a 0 HE3.2 HD2.2
176 1.932 4.474 1 T 6.600e+05 0.00e+00 a 0 HB2.2 HA.2
176 1.932 4.474 1 T 6.600e+05 0.00e+00 a 0 HB3.2 HA.2
177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HD3.2 HA.2
177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HD3.2 HA.4
177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HG.4 HA.2
177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HG.4 HA.4
177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HD2.2 HA.2
177 1.685 4.459 1 T 4.404e+05 0.00e+00 a 0 HD2.2 HA.4
178 1.512 4.464 1 T 3.420e+05 0.00e+00 a 0 HB3.4 HA.4
179 1.693 2.961 1 T 2.432e+06 0.00e+00 a 0 HD3.2 HE2.2
179 1.693 2.961 1 T 2.432e+06 0.00e+00 a 0 HD3.2 HE3.2
180 1.333 1.926 1 T 1.693e+06 0.00e+00 a 0 HG3.2 HB2.2
180 1.333 1.926 1 T 1.693e+06 0.00e+00 a 0 HG3.2 HB3.2
181 1.398 1.927 1 T 1.144e+06 0.00e+00 a 0 HG2.2 HB3.2
181 1.398 1.927 1 T 1.144e+06 0.00e+00 a 0 HG2.2 HB2.2
182 1.352 1.651 1 T 2.049e+05 0.00e+00 a 0 HG3.2 HD2.2
183 1.424 1.668 1 T 3.838e+06 0.00e+00 a 0 HG2.2 HD2.2
183 1.424 1.668 1 T 3.838e+06 0.00e+00 a 0 HG2.2 HD3.2
184 1.941 1.354 1 T 1.231e+06 0.00e+00 a 0 HB3.2 HG3.2
184 1.941 1.354 1 T 1.231e+06 0.00e+00 a 0 HB2.2 HG3.2
185 1.932 1.424 1 T 8.325e+05 0.00e+00 a 0 HB2.2 HG2.2
185 1.932 1.424 1 T 8.325e+05 0.00e+00 a 0 HB3.2 HG2.2
186 1.963 1.410 1 T 9.563e+05 0.00e+00 a 0 - -
187 1.674 1.407 1 T 3.638e+06 0.00e+00 a 0 HD2.2 HG2.2
188 1.675 4.202 1 T 3.781e+05 0.00e+00 a 0 HB.10 HA.10
189 0.991 4.204 1 T 3.212e+05 0.00e+00 a 0 HG13.10 HA.10
190 0.828 4.209 1 T 3.747e+05 0.00e+00 a 0 QD1.10 HA.10
191 0.638 4.206 1 T 5.793e+05 0.00e+00 a 0 QG2.10 HA.10
192 1.697 0.646 1 T 3.698e+05 0.00e+00 a 0 HB.10 QG2.10
193 1.676 1.002 1 T 1.650e+06 0.00e+00 a 0 HB.10 HG13.10
194 1.471 1.002 1 T 5.472e+06 0.00e+00 a 0 HG12.10 HG13.10
195 1.474 0.827 1 T 2.438e+06 0.00e+00 a 0 HG12.10 QD1.10
196 0.636 0.989 1 T 1.649e+05 0.00e+00 a 0 QG2.10 HG13.10
197 0.832 1.001 1 T 1.610e+07 0.00e+00 a 0 QD1.10 HG13.10
198 0.640 1.459 1 T 5.853e+05 0.00e+00 a 0 QG2.10 HG12.10
199 0.663 1.664 1 T 1.430e+05 0.00e+00 a 0 QG2.10 HB.10
200 0.615 1.658 1 T 5.339e+05 0.00e+00 a 0 QG2.10 HB.10
201 0.828 1.658 1 T 5.005e+05 0.00e+00 a 0 QD1.10 HB.10
202 0.821 1.460 1 T 3.803e+06 0.00e+00 a 0 QD1.10 HG12.10
203 0.993 1.465 1 T 5.181e+06 0.00e+00 a 0 HG13.10 HG12.10
204 0.994 1.668 1 T 2.042e+06 0.00e+00 a 0 HG13.10 HB.10
205 4.179 1.665 1 T 3.260e+05 0.00e+00 a 0 - -
206 3.811 4.281 1 T 5.931e+06 0.00e+00 a 0 HA3.1 HA2.1
207 4.299 3.829 1 T 4.202e+06 0.00e+00 a 0 HA2.1 HA3.1
208 4.361 3.932 1 T 4.230e+05 0.00e+00 a 0 HA.6 HB2.6
209 4.368 3.734 1 T 6.123e+05 0.00e+00 a 0 HA.6 HB3.6
210 3.927 4.358 1 T 9.292e+05 0.00e+00 a 0 HB2.6 HA.6
211 3.735 4.350 1 T 7.469e+05 0.00e+00 a 0 HB3.6 HA.6
212 0.944 4.472 1 T 5.583e+05 0.00e+00 a 0 QD2.4 HA.2
213 0.957 1.672 1 T 3.270e+05 0.00e+00 a 0 QD2.4 HG.4
214 0.996 1.505 1 T 7.445e+05 0.00e+00 a 0 QD1.4 HB3.4
215 1.513 1.691 1 T 1.697e+07 0.00e+00 a 0 HB3.4 HG.4
216 1.690 0.942 1 T -1.933e+05 0.00e+00 a 0 HG.4 QD2.4
217 3.394 4.038 1 T 8.815e+05 0.00e+00 a 0 HB2.12 HD3.13
218 3.365 4.038 1 T 9.241e+05 0.00e+00 a 0 HB2.12 HD3.13
219 3.738 3.933 1 T 1.405e+07 0.00e+00 a 0 HB3.6 HB2.6
220 3.925 3.733 1 T 1.487e+07 0.00e+00 a 0 HB2.6 HB3.6
221 2.607 2.922 1 T 8.359e+06 0.00e+00 a 0 HB3.3 HB2.3
222 2.636 2.878 1 T 1.534e+07 0.00e+00 a 0 HB3.7 HB2.7
223 2.866 2.628 1 T 1.502e+07 0.00e+00 a 0 HB2.7 HB3.7
224 2.912 2.591 1 T 4.378e+06 0.00e+00 a 0 HB2.3 HB3.3
225 2.424 1.834 1 T 1.955e+06 0.00e+00 a 0 HB2.8 HG3.8
226 2.095 1.850 1 T 4.642e+06 0.00e+00 a 0 HB3.8 HG3.8
227 1.958 1.834 1 T 1.225e+07 0.00e+00 a 0 HG2.8 HG3.8
228 1.821 2.411 1 T 1.917e+06 0.00e+00 a 0 HG3.8 HB2.8
229 1.862 2.104 1 T 3.938e+06 0.00e+00 a 0 - -
230 1.839 1.964 1 T 8.987e+06 0.00e+00 a 0 HG3.8 HG2.8
231 2.100 2.013 1 T 6.528e+06 0.00e+00 a 0 - -
232 2.399 2.108 1 T 5.320e+06 0.00e+00 a 0 HB2.8 HB3.8
233 2.117 2.412 1 T 7.255e+06 0.00e+00 a 0 HB3.8 HB2.8
234 1.952 2.407 1 T 1.061e+06 0.00e+00 a 0 HG2.8 HB2.8
235 2.217 2.485 1 T 5.581e+05 0.00e+00 a 0 HG2.13 HB2.13
236 2.212 2.443 1 T 7.477e+05 0.00e+00 a 0 HG2.13 HB2.13
237 2.001 2.468 1 T 2.653e+06 0.00e+00 a 0 HB3.13 HB2.13
238 2.024 2.206 1 T 2.659e+06 0.00e+00 a 0 HB3.13 HG2.13
239 2.200 2.019 1 T 3.894e+06 0.00e+00 a 0 HG2.13 HB3.13
240 2.113 2.463 1 T 2.130e+06 0.00e+00 a 0 HG3.13 HB2.13
241 2.482 2.019 1 T 2.887e+06 0.00e+00 a 0 HB2.13 HB3.13
242 2.448 2.210 1 T 4.607e+05 0.00e+00 a 0 HB2.13 HG2.13
243 2.025 2.103 1 T 9.197e+06 0.00e+00 a 0 HB3.13 HG3.13
244 1.686 1.503 1 T 1.386e+07 0.00e+00 a 0 HG.4 HB3.4
245 0.988 0.827 1 T 9.266e+06 0.00e+00 a 0 HG13.10 QD1.10
246 3.118 4.039 1 T 3.150e+05 0.00e+00 a 0 HB3.12 HD3.13
247 3.099 3.240 1 T 8.081e+05 0.00e+00 a 0 HB3.12 HB2.14
248 2.260 4.466 1 T 4.542e+05 0.00e+00 a 0 HB2.9 HA.9
249 2.262 4.392 1 T 5.184e+05 0.00e+00 a 0 HB2.9 HA.9
250 2.008 4.439 1 T 2.948e+05 0.00e+00 a 0 HB3.13 HA.13
251 2.254 3.876 1 T 2.161e+05 0.00e+00 a 0 HB2.9 HD2.9
252 2.113 3.478 1 T 2.531e+05 0.00e+00 a 0 HB3.8 HD3.8
253 1.841 2.255 1 T 1.868e+06 0.00e+00 a 0 - -
254 2.118 2.220 1 T 1.368e+07 0.00e+00 a 0 - -
255 1.668 0.825 1 T 2.235e+05 0.00e+00 a 0 HB.10 QD1.10
256 1.468 0.637 1 T 1.963e+05 0.00e+00 a 0 HG12.10 QG2.10
257 2.274 1.858 1 T 1.549e+06 0.00e+00 a 0 HB2.9 HB3.9
258 3.658 1.851 1 T 2.672e+05 0.00e+00 a 0 HD3.9 HB3.9
259 3.656 2.415 1 T 2.141e+05 0.00e+00 a 0 HD3.9 HB2.8
260 3.876 2.258 1 T 2.294e+05 0.00e+00 a 0 HD2.9 HB2.9
261 4.076 2.217 1 T 4.729e+05 0.00e+00 a 0 HD2.13 HG2.13
262 4.033 2.211 1 T 5.381e+05 0.00e+00 a 0 HD3.13 HG2.13
263 4.100 2.114 1 T 3.500e+05 0.00e+00 a 0 HD2.13 HG3.13
264 4.038 2.113 1 T 5.409e+05 0.00e+00 a 0 HD3.13 HG3.13
265 4.076 2.019 1 T 2.341e+05 0.00e+00 a 0 HD2.13 HB3.13
266 4.038 2.011 1 T 2.536e+05 0.00e+00 a 0 HD3.13 HB3.13
267 4.206 0.997 1 T 3.117e+05 0.00e+00 a 0 HA.10 HG13.10
268 4.206 0.638 1 T 2.808e+05 0.00e+00 a 0 HA.10 QG2.10
269 3.932 4.148 1 T 4.418e+05 0.00e+00 a 0 - -
270 4.141 3.930 1 T 4.157e+05 0.00e+00 a 0 - -
271 3.804 3.982 1 T 3.846e+05 0.00e+00 a 0 HA3.1 HB2.6
272 4.071 4.424 1 T 1.981e+05 0.00e+00 a 0 HD2.13 HA.13
273 6.997 7.657 1 T 1.151e+06 0.00e+00 a 0 - -
274 6.877 7.583 1 T 2.859e+07 0.00e+00 a 0 HD21.7 HD22.7
275 6.614 7.426 1 T 3.232e+07 0.00e+00 a 0 HD22.14 HD21.14
;
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 . . 30667 1
2 . . H 1 H . . 12 ppm . . . 4.76 . . 30667 1
stop_
save_