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 52415
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name TOCSY_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-H TOCSY'
_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 1H
#INAME 2 1H
1 8.715 8.716 1 U 2.924e+06 0.00e+00 m 0 25 25 0
2 4.743 8.715 1 U 7.067e+05 0.00e+00 m 0 27 25 0
3 2.765 8.715 1 U 1.513e+06 0.00e+00 m 0 29 25 0
4 2.667 8.715 1 U 1.669e+06 0.00e+00 m 0 30 25 0
5 7.577 7.577 1 U 9.344e+06 0.00e+00 m 0 34 34 0
6 6.901 7.577 1 U 2.596e+06 0.00e+00 m 0 35 34 0
7 6.902 6.902 1 U 1.038e+07 0.00e+00 m 0 35 35 0
8 8.515 8.514 1 U 4.743e+06 0.00e+00 m 0 39 39 0
9 4.247 8.515 1 U 3.546e+06 0.00e+00 m 0 41 39 0
10 1.879 8.514 1 U 3.829e+05 0.00e+00 m 0 43 39 0
11 1.762 8.514 1 U 5.285e+05 0.00e+00 m 0 44 39 0
12 1.635 8.514 1 U 7.895e+05 0.00e+00 m 0 47 39 0
13 3.179 8.513 1 U 1.503e+05 0.00e+00 m 0 51 39 0
14 3.179 8.513 1 U 1.503e+05 0.00e+00 m 0 52 39 0
15 1.876 4.246 1 U 1.071e+05 0.00e+00 m 0 43 41 0
16 1.765 4.246 1 U 1.494e+05 0.00e+00 m 0 44 41 0
17 1.640 4.246 1 U 1.454e+05 0.00e+00 m 0 47 41 0
18 3.169 4.262 1 U 1.313e+05 0.00e+00 m 0 51 41 0
19 3.169 4.262 1 U 1.313e+05 0.00e+00 m 0 52 41 0
20 1.759 1.878 1 U 3.864e+05 0.00e+00 m 0 44 43 0
21 1.634 1.759 1 U 1.154e+06 0.00e+00 m 0 47 44 0
22 1.881 3.179 1 U 1.005e+06 0.00e+00 m 0 43 51 0
23 1.761 3.179 1 U 1.037e+06 0.00e+00 m 0 44 51 0
24 1.635 3.180 1 U 1.672e+06 0.00e+00 m 0 47 51 0
25 1.881 3.179 1 U 1.005e+06 0.00e+00 m 0 43 52 0
26 1.761 3.179 1 U 1.037e+06 0.00e+00 m 0 44 52 0
27 1.635 3.180 1 U 1.672e+06 0.00e+00 m 0 47 52 0
28 4.252 7.240 1 U 1.246e+05 0.00e+00 m 0 41 55 0
29 1.881 7.244 1 U 5.110e+05 0.00e+00 m 0 43 55 0
30 1.760 7.245 1 U 5.226e+05 0.00e+00 m 0 44 55 0
31 1.636 7.245 1 U 7.043e+05 0.00e+00 m 0 47 55 0
32 3.180 7.240 1 U 2.360e+06 0.00e+00 m 0 51 55 0
33 3.180 7.240 1 U 2.360e+06 0.00e+00 m 0 52 55 0
34 8.451 8.452 1 U 3.714e+06 0.00e+00 m 0 65 65 0
35 3.912 8.452 1 U 5.606e+06 0.00e+00 m 0 67 65 0
36 8.175 8.175 1 U 5.364e+06 0.00e+00 m 0 72 72 0
37 3.853 8.175 1 U 5.536e+06 0.00e+00 m 0 74 72 0
38 8.042 8.042 1 U 4.031e+06 0.00e+00 m 0 79 79 0
39 4.410 8.041 1 U 2.435e+06 0.00e+00 m 0 81 79 0
40 2.827 8.042 1 U 3.749e+06 0.00e+00 m 0 83 79 0
41 2.829 4.416 1 U 7.903e+04 0.00e+00 m 0 83 81 0
42 6.984 6.985 1 U 2.222e+07 0.00e+00 m 0 91 91 0
43 6.764 6.984 1 U 3.484e+06 0.00e+00 m 0 93 91 0
44 6.984 6.985 1 U 2.222e+07 0.00e+00 m 0 98 91 0
45 6.764 6.764 1 U 2.675e+07 0.00e+00 m 0 96 93 0
46 6.984 6.985 1 U 2.222e+07 0.00e+00 m 0 91 98 0
47 6.764 6.984 1 U 3.484e+06 0.00e+00 m 0 93 98 0
48 6.984 6.985 1 U 2.222e+07 0.00e+00 m 0 98 98 0
49 4.632 8.278 1 U 1.469e+06 0.00e+00 m 0 104 102 0
50 2.700 8.277 1 U 1.765e+06 0.00e+00 m 0 106 102 0
51 2.557 8.277 1 U 1.959e+06 0.00e+00 m 0 107 102 0
52 7.498 7.498 1 U 9.558e+06 0.00e+00 m 0 111 111 0
53 6.824 7.500 1 U 2.904e+06 0.00e+00 m 0 112 111 0
54 6.826 6.826 1 U 1.081e+07 0.00e+00 m 0 112 112 0
55 4.494 8.065 1 U 1.846e+06 0.00e+00 m 0 118 116 0
56 3.158 8.065 1 U 1.319e+06 0.00e+00 m 0 120 116 0
57 2.973 8.065 1 U 1.635e+06 0.00e+00 m 0 121 116 0
58 3.156 4.497 1 U 7.248e+04 0.00e+00 m 0 120 118 0
59 2.973 4.500 1 U 5.724e+04 0.00e+00 m 0 121 118 0
60 4.496 7.245 1 U 2.560e+04 0.00e+00 m 0 118 128 0
61 4.496 7.245 1 U 2.560e+04 0.00e+00 m 0 118 136 0
62 3.851 8.349 1 U 1.996e+06 0.00e+00 m 0 141 139 0
63 3.915 8.349 1 U 2.033e+06 0.00e+00 m 0 142 139 0
64 3.849 3.921 1 U 1.203e+06 0.00e+00 m 0 141 142 0
65 8.068 8.069 1 U 6.617e+06 0.00e+00 m 0 146 146 0
66 4.322 8.068 1 U 3.194e+06 0.00e+00 m 0 148 146 0
67 1.834 8.068 1 U 5.997e+05 0.00e+00 m 0 150 146 0
68 1.395 8.068 1 U 5.520e+05 0.00e+00 m 0 154 146 0
69 1.733 8.068 1 U 8.376e+05 0.00e+00 m 0 158 146 0
70 1.649 8.068 1 U 7.463e+05 0.00e+00 m 0 159 146 0
71 2.970 8.068 1 U 1.517e+06 0.00e+00 m 0 162 146 0
72 1.833 4.323 1 U 9.960e+04 0.00e+00 m 0 150 148 0
73 1.396 4.323 1 U 5.988e+04 0.00e+00 m 0 154 148 0
74 1.733 4.323 1 U 1.222e+05 0.00e+00 m 0 158 148 0
75 1.645 4.323 1 U 8.140e+04 0.00e+00 m 0 159 148 0
76 2.971 4.323 1 U 3.348e+04 0.00e+00 m 0 162 148 0
77 1.397 1.835 1 U 4.974e+05 0.00e+00 m 0 154 150 0
78 1.648 1.834 1 U 1.062e+06 0.00e+00 m 0 159 150 0
79 1.395 1.731 1 U 5.170e+05 0.00e+00 m 0 154 158 0
80 1.647 1.735 1 U 1.341e+06 0.00e+00 m 0 159 158 0
81 1.397 1.650 1 U 1.182e+06 0.00e+00 m 0 154 159 0
82 1.833 2.971 1 U 6.735e+05 0.00e+00 m 0 150 162 0
83 1.399 2.971 1 U 6.361e+05 0.00e+00 m 0 154 162 0
84 1.732 2.971 1 U 7.165e+05 0.00e+00 m 0 158 162 0
85 1.646 2.971 1 U 1.874e+06 0.00e+00 m 0 159 162 0
86 4.316 7.518 1 U 1.051e+04 0.00e+00 m 0 148 166 0
87 1.837 7.518 1 U 2.300e+05 0.00e+00 m 0 150 166 0
88 1.398 7.518 1 U 3.261e+05 0.00e+00 m 0 154 166 0
89 1.730 7.518 1 U 2.339e+05 0.00e+00 m 0 158 166 0
90 1.646 7.518 1 U 9.766e+05 0.00e+00 m 0 159 166 0
91 2.970 7.518 1 U 1.603e+06 0.00e+00 m 0 162 166 0
92 7.519 7.519 1 U 2.459e+06 0.00e+00 m 0 167 166 0
93 4.450 8.301 1 U 2.120e+06 0.00e+00 m 0 173 171 0
94 3.836 8.299 1 U 7.086e+06 0.00e+00 m 0 175 171 0
95 3.837 4.454 1 U 5.709e+05 0.00e+00 m 0 175 173 0
96 4.108 8.093 1 U 5.285e+06 0.00e+00 m 0 183 181 0
97 2.033 8.093 1 U 1.077e+06 0.00e+00 m 0 185 181 0
98 0.872 8.093 1 U 1.331e+06 0.00e+00 m 0 189 181 0
99 0.838 8.093 1 U 1.302e+06 0.00e+00 m 0 193 181 0
100 2.034 4.106 1 U 4.062e+05 0.00e+00 m 0 185 183 0
101 0.872 4.106 1 U 4.716e+05 0.00e+00 m 0 189 183 0
102 0.838 4.106 1 U 4.478e+05 0.00e+00 m 0 193 183 0
103 2.033 2.033 1 U 2.418e+06 0.00e+00 m 0 185 185 0
104 0.872 2.033 1 U 1.322e+06 0.00e+00 m 0 189 185 0
105 0.838 2.033 1 U 1.343e+06 0.00e+00 m 0 193 185 0
106 4.293 8.304 1 U 3.442e+06 0.00e+00 m 0 201 199 0
107 1.799 8.304 1 U 5.733e+05 0.00e+00 m 0 203 199 0
108 1.699 8.304 1 U 7.510e+05 0.00e+00 m 0 204 199 0
109 1.608 8.304 1 U 7.774e+05 0.00e+00 m 0 207 199 0
110 3.153 8.304 1 U 2.916e+05 0.00e+00 m 0 211 199 0
111 3.153 8.304 1 U 2.916e+05 0.00e+00 m 0 212 199 0
112 7.176 8.305 1 U 1.383e+05 0.00e+00 m 0 218 199 0
113 1.608 4.294 1 U 1.148e+05 0.00e+00 m 0 207 201 0
114 1.700 1.801 1 U 5.151e+05 0.00e+00 m 0 204 203 0
115 1.607 1.801 1 U 9.947e+05 0.00e+00 m 0 207 203 0
116 1.607 1.699 1 U 7.026e+05 0.00e+00 m 0 207 204 0
117 1.801 3.153 1 U 1.172e+06 0.00e+00 m 0 203 211 0
118 1.702 3.153 1 U 1.109e+06 0.00e+00 m 0 204 211 0
119 1.608 3.153 1 U 1.481e+06 0.00e+00 m 0 207 211 0
120 1.801 3.153 1 U 1.172e+06 0.00e+00 m 0 203 212 0
121 1.702 3.153 1 U 1.109e+06 0.00e+00 m 0 204 212 0
122 1.608 3.153 1 U 1.481e+06 0.00e+00 m 0 207 212 0
123 4.294 7.173 1 U 1.853e+05 0.00e+00 m 0 201 218 0
124 1.801 7.173 1 U 6.787e+05 0.00e+00 m 0 203 218 0
125 1.698 7.173 1 U 7.142e+05 0.00e+00 m 0 204 218 0
126 1.607 7.173 1 U 6.541e+05 0.00e+00 m 0 207 218 0
127 3.152 7.173 1 U 3.373e+06 0.00e+00 m 0 211 218 0
128 3.152 7.173 1 U 3.373e+06 0.00e+00 m 0 212 218 0
129 7.174 7.173 1 U 5.940e+06 0.00e+00 m 0 218 218 0
130 4.526 8.265 1 U 2.060e+06 0.00e+00 m 0 227 225 0
131 3.243 8.265 1 U 2.261e+06 0.00e+00 m 0 229 225 0
132 3.091 8.265 1 U 2.573e+06 0.00e+00 m 0 230 225 0
133 7.239 8.265 1 U 1.072e+05 0.00e+00 m 0 238 225 0
134 3.240 4.527 1 U 1.230e+05 0.00e+00 m 0 229 227 0
135 3.093 4.528 1 U 1.884e+05 0.00e+00 m 0 230 227 0
136 3.243 7.241 1 U 3.494e+05 0.00e+00 m 0 229 238 0
137 3.091 7.241 1 U 4.038e+05 0.00e+00 m 0 230 238 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 . 'not observed' 6002.4 Hz . . . . . . 52415 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 52415 1
stop_
save_