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 30609
_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 4.771 7.673 1 T 6.580e+06 0.00e+00 a 0 43 41 0
2 3.197 7.671 1 T 6.614e+05 0.00e+00 a 0 55 41 0
3 1.835 7.671 1 T 3.431e+06 0.00e+00 a 0 45 41 0
4 1.713 7.671 1 T 4.321e+06 0.00e+00 a 0 46 41 0
5 1.578 7.673 1 T 2.720e+06 0.00e+00 a 0 51 41 0
6 3.203 7.202 1 T 4.217e+06 0.00e+00 a 0 55 57 0
7 4.376 7.671 1 T 2.512e+06 0.00e+00 a 0 32 41 0
8 4.379 9.014 1 T 5.478e+06 0.00e+00 a 0 32 30 0
9 3.857 9.006 1 T 4.513e+06 0.00e+00 a 0 34 30 0
10 3.937 9.009 1 T 5.118e+06 0.00e+00 a 0 35 30 0
11 3.401 9.009 1 T 3.016e+06 0.00e+00 a 0 23 30 0
12 3.025 9.009 1 T 1.407e+06 0.00e+00 a 0 24 30 0
13 4.722 9.006 1 T 2.375e+07 0.00e+00 a 0 21 30 0
14 4.725 8.940 1 T 6.549e+06 0.00e+00 a 0 21 19 0
15 3.022 8.943 1 T 1.310e+07 0.00e+00 a 0 24 19 0
16 3.396 8.940 1 T 6.957e+06 0.00e+00 a 0 23 19 0
17 4.767 8.850 1 T 7.045e+06 0.00e+00 a 0 10 8 0
18 4.764 8.940 1 T 1.678e+07 0.00e+00 a 0 10 19 0
19 2.988 8.847 1 T 6.277e+06 0.00e+00 a 0 12 8 0
20 3.181 8.847 1 T 5.118e+06 0.00e+00 a 0 13 8 0
21 3.176 8.940 1 T 3.299e+06 0.00e+00 a 0 13 19 0
22 2.985 8.935 1 T 9.280e+06 0.00e+00 a 0 12 19 0
23 3.891 8.845 1 T 2.068e+07 0.00e+00 a 0 5 8 0
24 4.210 8.469 1 T 1.618e+07 0.00e+00 a 0 134 132 0
25 1.381 8.467 1 T 1.415e+07 0.00e+00 a 0 135 132 0
26 4.171 8.469 1 T 9.496e+06 0.00e+00 a 0 113 132 0
27 4.169 8.610 1 T 6.526e+06 0.00e+00 a 0 113 111 0
28 1.956 8.610 1 T 7.602e+06 0.00e+00 a 0 115 111 0
29 4.169 1.960 1 T 4.320e+06 0.00e+00 a 0 113 115 0
# 30 4.167 0.950 1 T 8.782e+06 0.00e+00 a 0 0 116 0
31 4.167 0.885 1 T 1.889e+06 0.00e+00 a 0 113 125 0
32 4.167 1.255 1 T 1.274e+06 0.00e+00 a 0 113 122 0
33 4.169 1.441 1 T 1.204e+06 0.00e+00 a 0 113 123 0
34 1.448 8.609 1 T 4.270e+06 0.00e+00 a 0 123 111 0
# 35 1.247 8.606 1 T 6.400e+06 0.00e+00 a 0 122 111 0
36 0.946 8.609 1 T 4.373e+06 0.00e+00 a 0 116 111 0
37 0.886 8.606 1 T 1.399e+06 0.00e+00 a 0 125 111 0
38 0.948 8.468 1 T 3.710e+06 0.00e+00 a 0 116 132 0
39 1.443 8.466 1 T 1.818e+06 0.00e+00 a 0 123 132 0
40 4.890 8.611 1 T 1.298e+07 0.00e+00 a 0 102 111 0
41 4.892 9.091 1 T 3.712e+06 0.00e+00 a 0 102 100 0
42 3.394 8.611 1 T 5.288e+06 0.00e+00 a 0 104 111 0
43 3.392 9.093 1 T 3.363e+06 0.00e+00 a 0 104 100 0
44 2.826 8.609 1 T 2.010e+06 0.00e+00 a 0 105 111 0
45 2.819 9.095 1 T 1.117e+07 0.00e+00 a 0 105 100 0
47 4.773 3.653 1 T 1.142e+07 0.00e+00 a 0 43 79 0
48 4.769 3.573 1 T 1.124e+07 0.00e+00 a 0 43 80 0
49 4.495 3.653 1 T 1.292e+06 0.00e+00 a 0 70 79 0
50 4.490 3.573 1 T 1.283e+06 0.00e+00 a 0 70 80 0
51 4.511 3.617 1 T 1.872e+06 0.00e+00 a 0 86 95 0
52 4.514 3.531 1 T 1.789e+06 0.00e+00 a 0 86 96 0
53 4.516 9.091 1 T 3.512e+07 0.00e+00 a 0 86 100 0
54 7.671 9.010 1 T 1.355e+07 0.00e+00 a 0 41 30 0
55 1.382 8.361 1 T 6.232e+06 0.00e+00 a 0 135 142 0
56 2.803 8.363 1 T 9.629e+06 0.00e+00 a 0 148 142 0
57 4.554 8.359 1 T 9.676e+06 0.00e+00 a 0 144 142 0
58 4.208 8.359 1 T 1.369e+07 0.00e+00 a 0 134 142 0
59 4.553 8.081 1 T 9.975e+06 0.00e+00 a 0 144 157 0
60 2.700 8.081 1 T 6.973e+06 0.00e+00 a 0 161 157 0
61 2.821 8.083 1 T 9.730e+06 0.00e+00 a 0 162 157 0
62 4.931 3.741 1 T 2.820e+06 0.00e+00 a 0 159 185 0
63 4.430 3.738 1 T 1.469e+06 0.00e+00 a 0 174 185 0
64 4.934 8.081 1 T 1.510e+06 0.00e+00 a 0 159 157 0
65 4.432 8.409 1 T 8.604e+06 0.00e+00 a 0 174 188 0
66 4.698 8.409 1 T 7.565e+06 0.00e+00 a 0 190 188 0
67 2.812 8.411 1 T 9.889e+06 0.00e+00 a 0 192 188 0
68 2.894 8.409 1 T 5.583e+06 0.00e+00 a 0 193 188 0
69 2.816 8.289 1 T 2.122e+06 0.00e+00 a 0 192 200 0
70 2.896 8.289 1 T 1.911e+06 0.00e+00 a 0 193 200 0
71 4.702 8.287 1 T 1.445e+07 0.00e+00 a 0 190 200 0
72 4.571 8.285 1 T 4.370e+06 0.00e+00 a 0 202 200 0
# 73 1.680 8.285 1 T 1.842e+07 0.00e+00 a 0 206 200 0
# 208 200
74 0.874 8.287 1 T 1.261e+06 0.00e+00 a 0 209 200 0
75 0.954 8.287 1 T 9.465e+05 0.00e+00 a 0 210 200 0
76 4.568 8.177 1 T 2.067e+07 0.00e+00 a 0 202 222 0
77 4.466 8.174 1 T 5.772e+06 0.00e+00 a 0 224 222 0
78 3.262 8.172 1 T 3.453e+06 0.00e+00 a 0 226 222 0
79 2.943 8.174 1 T 8.990e+06 0.00e+00 a 0 227 222 0
80 8.080 8.363 1 T 4.518e+06 0.00e+00 a 0 157 142 0
82 8.609 9.087 1 T 9.865e+05 0.00e+00 a 0 111 100 0
84 2.696 7.667 1 T 6.175e+06 0.00e+00 a 0 161 167 0
85 2.694 6.993 1 T 1.658e+06 0.00e+00 a 0 161 168 0
86 2.817 6.995 1 T 2.540e+06 0.00e+00 a 0 162 168 0
87 2.821 7.671 1 T 6.815e+06 0.00e+00 a 0 162 167 0
88 2.806 6.971 1 T 2.182e+06 0.00e+00 a 0 148 152 0
89 2.807 7.684 1 T 8.564e+06 0.00e+00 a 0 148 153 0
91 8.173 8.937 1 T 1.178e+06 0.00e+00 a 0 222 19 0
94 4.568 8.938 1 T 2.344e+06 0.00e+00 a 0 202 19 0
# 96 4.506 7.671 1 T 5.785e+05 0.00e+00 a 0 86 41 0
97 3.936 7.673 1 T 2.108e+06 0.00e+00 a 0 35 41 0
98 3.858 7.675 1 T 1.604e+06 0.00e+00 a 0 34 41 0
99 3.658 7.673 1 T 8.082e+05 0.00e+00 a 0 79 41 0
100 3.568 7.675 1 T 1.507e+06 0.00e+00 a 0 80 41 0
101 3.396 7.673 1 T 1.665e+06 0.00e+00 a 0 23 41 0
102 3.025 7.675 1 T 8.475e+05 0.00e+00 a 0 24 41 0
103 0.953 7.673 1 T 7.247e+05 0.00e+00 a 0 210 41 0
104 0.883 7.669 1 T 4.679e+05 0.00e+00 a 0 209 41 0
106 2.366 9.093 1 T 4.106e+06 0.00e+00 a 0 88 100 0
107 2.044 9.093 1 T 2.955e+06 0.00e+00 a 0 89 100 0
108 1.886 9.092 1 T 1.048e+06 0.00e+00 a 0 72 100 0
110 3.393 8.468 1 T 8.787e+05 0.00e+00 a 0 104 132 0
111 2.818 8.468 1 T 6.675e+05 0.00e+00 a 0 105 132 0
112 1.958 8.469 1 T 5.917e+06 0.00e+00 a 0 115 132 0
113 1.248 8.468 1 T 6.958e+05 0.00e+00 a 0 122 132 0
114 0.890 8.469 1 T 6.811e+05 0.00e+00 a 0 125 132 0
117 1.450 8.361 1 T 1.685e+06 0.00e+00 a 0 123 142 0
118 0.950 8.361 1 T 1.817e+06 0.00e+00 a 0 116 142 0
119 0.894 8.359 1 T 6.426e+05 0.00e+00 a 0 125 142 0
120 4.202 8.084 1 T 9.221e+05 0.00e+00 a 0 134 157 0
121 3.731 8.082 1 T 3.716e+06 0.00e+00 a 0 185 157 0
124 1.443 8.081 1 T 1.088e+06 0.00e+00 a 0 123 157 0
125 1.387 8.082 1 T 1.143e+06 0.00e+00 a 0 135 157 0
126 0.952 8.082 1 T 1.251e+06 0.00e+00 a 0 210 157 0
127 3.750 8.410 1 T 4.355e+06 0.00e+00 a 0 185 188 0
128 2.233 8.410 1 T 1.132e+06 0.00e+00 a 0 176 188 0
# 129 1.977 8.410 1 T 4.183e+06 0.00e+00 a 0 180 188 0
# 177 188
131 1.676 8.175 1 T 5.340e+06 0.00e+00 a 0 206 222 0
133 3.179 8.176 1 T 7.935e+05 0.00e+00 a 0 13 222 0
134 2.991 8.175 1 T 4.797e+06 0.00e+00 a 0 12 222 0
135 4.375 8.173 1 T 8.086e+05 0.00e+00 a 0 32 222 0
136 4.426 8.284 1 T 5.444e+05 0.00e+00 a 0 174 200 0
137 4.696 8.175 1 T 1.241e+06 0.00e+00 a 0 190 222 0
138 4.763 8.175 1 T 9.967e+05 0.00e+00 a 0 10 222 0
139 7.681 8.355 1 T 5.549e+05 0.00e+00 a 0 153 142 0
# 142 4.461 3.002 1 T 4.219e+06 0.00e+00 a 0 224 12 0
144 4.572 3.032 1 T 2.847e+06 0.00e+00 a 0 202 24 0
149 4.734 3.033 1 T 4.035e+06 0.00e+00 a 0 0 0 0
153 4.515 1.884 1 T 6.441e+06 0.00e+00 a 0 86 72 0
155 3.657 1.582 1 T 1.343e+06 0.00e+00 a 0 79 51 0
156 3.656 1.712 1 T 1.144e+06 0.00e+00 a 0 79 46 0
157 3.649 1.825 1 T 1.134e+06 0.00e+00 a 0 79 45 0
158 3.587 1.828 1 T 1.236e+06 0.00e+00 a 0 80 45 0
# 159 4.462 3.180 1 T 2.657e+06 0.00e+00 a 0 224 13 0
160 0.875 8.174 1 T 1.259e+06 0.00e+00 a 0 209 222 0
161 0.954 8.176 1 T 7.915e+05 0.00e+00 a 0 210 222 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 . . 30609 1
2 . . H 1 H . . 12 ppm . . . 4.76 . . 30609 1
stop_
save_