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 36327
_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 9
_Spectral_peak_list.Experiment_name '3D HCCH-TOCSY aromatic'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_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 'swapped 1/2 dimension (dim 2 is for acquisition)'
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
HC 1H 13C
hccht3.nv
{9041.590820 } {2401.598633 } {6038.646973 }
{800.133972 } {800.133972 } {201.218002 }
HC.L HC.P HC.W HC.B HC.E HC.J HC.U 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0
0 {o} 7.869 0.020 0.026 ? 0.000 {?} {?} 8.236 0.022 0.044 ? 0.000 {?} {?} 138.392 0.262 0.523 ? 0.000 {?} 999.990 9.416 0 {?} 0
1 {o} 7.836 0.020 0.034 ? 0.000 {?} {?} 8.120 0.028 0.056 ? 0.000 {?} {?} 138.379 0.339 0.678 ? 0.000 {?} 999.990 6.821 0 {?} 0
2 {o} 8.059 0.024 0.049 ? 0.000 {?} {?} 7.842 0.040 0.081 ? 0.000 {?} {?} 138.371 0.486 0.972 ? 0.000 {?} 999.990 212.005 0 {?} 0
3 {o} 7.859 0.068 0.137 ? 0.000 {?} {?} 7.841 0.114 0.228 ? 0.000 {?} {?} 138.376 1.367 2.733 ? 0.000 {?} 999.990 8318.487 0 {?} 0
4 {o} 7.855 0.020 0.020 ? 0.000 {?} {?} 6.914 0.020 0.020 ? 0.000 {?} {?} 138.396 0.076 0.152 ? 0.000 {?} 999.990 38.426 0 {?} 0
5 {o} 7.939 0.057 0.113 ? 0.000 {?} {?} 7.921 0.094 0.188 ? 0.000 {?} {?} 138.215 1.130 2.261 ? 0.000 {?} 999.990 3110.450 0 {?} 0
6 {o} 7.939 0.020 0.020 ? 0.000 {?} {?} 7.011 0.020 0.020 ? 0.000 {?} {?} 138.208 0.063 0.126 ? 0.000 {?} 999.990 21.539 0 {?} 0
7 {o} 8.048 0.058 0.116 ? 0.000 {?} {?} 8.032 0.097 0.193 ? 0.000 {?} {?} 137.550 1.160 2.320 ? 0.000 {?} 999.990 3517.635 0 {?} 0
8 {o} 8.049 0.020 0.020 ? 0.000 {?} {?} 7.040 0.020 0.020 ? 0.000 {?} {?} 137.544 0.021 0.043 ? 0.000 {?} 999.990 25.609 0 {?} 0
9 {o} 6.992 0.029 0.059 ? 0.000 {?} {?} 6.974 0.049 0.098 ? 0.000 {?} {?} 133.210 0.587 1.174 ? 0.000 {?} 999.990 323.232 0 {?} 0
10 {o} 6.852 0.031 0.062 ? 0.000 {?} {?} 6.834 0.051 0.103 ? 0.000 {?} {?} 133.258 0.616 1.231 ? 0.000 {?} 999.990 364.143 0 {?} 0
11 {o} 7.029 0.024 0.047 ? 0.000 {?} {?} 6.651 0.039 0.079 ? 0.000 {?} {?} 133.246 0.472 0.945 ? 0.000 {?} 999.990 200.442 0 {?} 0
12 {o} 6.852 0.027 0.053 ? 0.000 {?} {?} 6.616 0.044 0.089 ? 0.000 {?} {?} 133.239 0.534 1.068 ? 0.000 {?} 999.990 258.987 0 {?} 0
13 {o} 6.992 0.024 0.049 ? 0.000 {?} {?} 6.582 0.041 0.081 ? 0.000 {?} {?} 133.277 0.487 0.975 ? 0.000 {?} 999.990 213.382 0 {?} 0
14 {o} 7.028 0.028 0.056 ? 0.000 {?} {?} 7.010 0.047 0.094 ? 0.000 {?} {?} 133.141 0.562 1.124 ? 0.000 {?} 999.990 290.969 0 {?} 0
15 {o} 7.113 0.028 0.057 ? 0.000 {?} {?} 7.216 0.047 0.095 ? 0.000 {?} {?} 132.627 0.569 1.138 ? 0.000 {?} 999.990 299.581 0 {?} 0
16 {o} 7.113 0.028 0.056 ? 0.000 {?} {?} 7.098 0.047 0.094 ? 0.000 {?} {?} 132.662 0.562 1.124 ? 0.000 {?} 999.990 291.293 0 {?} 0
17 {o} 7.112 0.020 0.028 ? 0.000 {?} {?} 7.069 0.024 0.047 ? 0.000 {?} {?} 132.540 0.284 0.569 ? 0.000 {?} 999.990 91.627 0 {?} 0
18 {o} 7.238 0.027 0.053 ? 0.000 {?} {?} 7.216 0.044 0.089 ? 0.000 {?} {?} 131.303 0.531 1.062 ? 0.000 {?} 999.990 256.034 0 {?} 0
19 {o} 7.236 0.031 0.061 ? 0.000 {?} {?} 7.098 0.051 0.102 ? 0.000 {?} {?} 131.341 0.614 1.228 ? 0.000 {?} 999.990 361.566 0 {?} 0
20 {o} 7.236 0.020 0.038 ? 0.000 {?} {?} 7.069 0.031 0.063 ? 0.000 {?} {?} 131.338 0.377 0.753 ? 0.000 {?} 999.990 134.567 0 {?} 0
21 {o} 7.086 0.020 0.033 ? 0.000 {?} {?} 7.216 0.027 0.055 ? 0.000 {?} {?} 129.112 0.329 0.659 ? 0.000 {?} 999.990 110.496 0 {?} 0
22 {o} 7.087 0.020 0.026 ? 0.000 {?} {?} 7.067 0.022 0.044 ? 0.000 {?} {?} 129.145 0.264 0.529 ? 0.000 {?} 999.990 84.269 0 {?} 0
23 {o} 7.084 0.020 0.031 ? 0.000 {?} {?} 7.098 0.026 0.052 ? 0.000 {?} {?} 129.060 0.310 0.620 ? 0.000 {?} 999.990 101.838 0 {?} 0
24 {o} 6.999 0.020 0.026 ? 0.000 {?} {?} 7.546 0.022 0.044 ? 0.000 {?} {?} 125.271 0.264 0.528 ? 0.000 {?} 999.990 84.050 0 {?} 0
25 {o} 6.998 0.020 0.020 ? 0.000 {?} {?} 7.172 0.020 0.020 ? 0.000 {?} {?} 125.246 0.084 0.168 ? 0.000 {?} 999.990 19.729 0 {?} 0
26 {o} 7.003 0.020 0.020 ? 0.000 {?} {?} 7.031 0.020 0.021 ? 0.000 {?} {?} 125.283 0.125 0.250 ? 0.000 {?} 999.990 47.124 0 {?} 0
27 {o} 7.002 0.023 0.047 ? 0.000 {?} {?} 6.985 0.039 0.078 ? 0.000 {?} {?} 125.268 0.469 0.937 ? 0.000 {?} 999.990 197.430 0 {?} 0
28 {o} 7.202 0.020 0.021 ? 0.000 {?} {?} 6.987 0.020 0.035 ? 0.000 {?} {?} 124.646 0.207 0.415 ? 0.000 {?} 999.990 11.800 0 {?} 0
29 {o} 7.191 0.020 0.026 ? 0.000 {?} {?} 7.547 0.022 0.043 ? 0.000 {?} {?} 124.552 0.259 0.518 ? 0.000 {?} 999.990 82.366 0 {?} 0
30 {o} 7.190 0.020 0.022 ? 0.000 {?} {?} 7.172 0.020 0.037 ? 0.000 {?} {?} 124.587 0.224 0.449 ? 0.000 {?} 999.990 71.353 0 {?} 0
31 {o} 7.191 0.020 0.020 ? 0.000 {?} {?} 7.033 0.020 0.027 ? 0.000 {?} {?} 124.594 0.161 0.322 ? 0.000 {?} 999.990 54.799 0 {?} 0
32 {o} 7.048 0.020 0.027 ? 0.000 {?} {?} 7.547 0.023 0.046 ? 0.000 {?} {?} 121.412 0.273 0.546 ? 0.000 {?} 999.990 87.404 0 {?} 0
33 {o} 7.050 0.020 0.020 ? 0.000 {?} {?} 7.172 0.020 0.027 ? 0.000 {?} {?} 121.421 0.160 0.319 ? 0.000 {?} 999.990 54.462 0 {?} 0
34 {o} 7.027 0.051 0.101 ? 0.000 {?} {?} 7.010 0.084 0.169 ? 0.000 {?} {?} 120.323 1.012 2.025 ? 0.000 {?} 999.990 1901.584 0 {?} 0
35 {o} 7.062 0.020 0.027 ? 0.000 {?} {?} 8.033 0.023 0.046 ? 0.000 {?} {?} 120.266 0.274 0.547 ? 0.000 {?} 999.990 8.952 0 {?} 0
36 {o} 7.058 0.052 0.104 ? 0.000 {?} {?} 7.040 0.087 0.173 ? 0.000 {?} {?} 120.251 1.039 2.077 ? 0.000 {?} 999.990 2121.996 0 {?} 0
37 {o} 7.563 0.020 0.020 ? 0.000 {?} {?} 6.985 0.020 0.020 ? 0.000 {?} {?} 120.206 0.020 0.020 ? 0.000 {?} 999.990 27.897 0 {?} 0
38 {o} 7.565 0.020 0.035 ? 0.000 {?} {?} 7.547 0.029 0.058 ? 0.000 {?} {?} 120.055 0.349 0.699 ? 0.000 {?} 999.990 120.114 0 {?} 0
39 {o} 7.566 0.020 0.020 ? 0.000 {?} {?} 7.033 0.020 0.030 ? 0.000 {?} {?} 120.096 0.177 0.354 ? 0.000 {?} 999.990 58.567 0 {?} 0
40 {o} 7.566 0.020 0.020 ? 0.000 {?} {?} 7.172 0.020 0.020 ? 0.000 {?} {?} 119.947 0.020 0.020 ? 0.000 {?} 999.990 27.363 0 {?} 0
41 {o} 7.103 0.020 0.020 ? 0.000 {?} {?} 7.093 0.020 0.020 ? 0.000 {?} {?} 119.695 0.074 0.149 ? 0.000 {?} 999.990 20.552 0 {?} 0
42 {o} 6.931 0.056 0.113 ? 0.000 {?} {?} 6.914 0.094 0.188 ? 0.000 {?} {?} 119.623 1.129 2.258 ? 0.000 {?} 999.990 3091.889 0 {?} 0
43 {o} 6.938 0.020 0.032 ? 0.000 {?} {?} 6.719 0.027 0.054 ? 0.000 {?} {?} 119.613 0.322 0.643 ? 0.000 {?} 999.990 7.329 0 {?} 0
44 {o} 6.945 0.020 0.033 ? 0.000 {?} {?} 7.841 0.027 0.054 ? 0.000 {?} {?} 119.389 0.325 0.650 ? 0.000 {?} 999.990 7.227 0 {?} 0
45 {o} 6.668 0.025 0.050 ? 0.000 {?} {?} 7.010 0.042 0.084 ? 0.000 {?} {?} 118.448 0.503 1.005 ? 0.000 {?} 999.990 227.304 0 {?} 0
46 {o} 6.668 0.025 0.050 ? 0.000 {?} {?} 6.651 0.041 0.083 ? 0.000 {?} {?} 118.455 0.496 0.992 ? 0.000 {?} 999.990 221.071 0 {?} 0
47 {o} 6.600 0.026 0.052 ? 0.000 {?} {?} 6.974 0.043 0.086 ? 0.000 {?} {?} 118.099 0.519 1.038 ? 0.000 {?} 999.990 243.302 0 {?} 0
48 {o} 6.634 0.027 0.054 ? 0.000 {?} {?} 6.834 0.045 0.091 ? 0.000 {?} {?} 118.111 0.544 1.088 ? 0.000 {?} 999.990 269.921 0 {?} 0
49 {o} 6.634 0.029 0.058 ? 0.000 {?} {?} 6.616 0.049 0.097 ? 0.000 {?} {?} 118.131 0.584 1.169 ? 0.000 {?} 999.990 319.754 0 {?} 0
50 {o} 6.600 0.027 0.053 ? 0.000 {?} {?} 6.582 0.044 0.088 ? 0.000 {?} {?} 118.116 0.530 1.060 ? 0.000 {?} 999.990 254.969 0 {?} 0
51 {o} 7.563 0.020 0.020 ? 0.000 {?} {?} 7.033 0.020 0.020 ? 0.000 {?} {?} 114.658 0.038 0.076 ? 0.000 {?} 999.990 32.794 0 {?} 0
52 {o} 7.565 0.020 0.036 ? 0.000 {?} {?} 7.547 0.030 0.061 ? 0.000 {?} {?} 114.465 0.365 0.730 ? 0.000 {?} 999.990 128.140 0 {?} 0
53 {o} 7.564 0.020 0.020 ? 0.000 {?} {?} 7.173 0.020 0.024 ? 0.000 {?} {?} 114.413 0.144 0.289 ? 0.000 {?} 999.990 51.110 0 {?} 0
54 {o} 7.570 0.020 0.020 ? 0.000 {?} {?} 6.984 0.020 0.030 ? 0.000 {?} {?} 114.278 0.182 0.364 ? 0.000 {?} 999.990 13.108 0 {?} 0
55 {o} 7.563 0.020 0.020 ? 0.000 {?} {?} 7.032 0.020 0.020 ? 0.000 {?} {?} 114.171 0.020 0.037 ? 0.000 {?} 999.990 30.276 0 {?} 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-aromatic . . 9041.5908 Hz . . . 10.3900 . . 36327 1
2 . . H 1 H-aromatic . . 2401.5986 Hz . . . 4.7250 . . 36327 1
3 . . C 13 C-aromatic . . 6038.6470 Hz . . . 125.7270 . . 36327 1
stop_
save_