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 34544
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_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 3
_Spectral_peak_list.Experiment_name 2D-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
;
label dataset sw sf
1H 1H
None
{1471.53 } {3656.54 }
{950.2345 } {950.2345 }
1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U vol int stat comment flag0
1 {6.HE*} 7.320 0.050 0.050 ? 0.000 {?} {6.HD*} 7.255 0.050 0.050 ? 0.000 {?} 51654200.75000 6565896.00000 1 {?} 0
2 {6.HD*} 7.254 0.050 0.050 ? 0.000 {?} {6.HE*} 7.319 0.050 0.050 ? 0.000 {?} 54185361.50000 7043814.00000 1 {?} 0
4 {102.HD*} 6.946 0.050 0.050 ? 0.000 {?} {102.HE*} 6.673 0.050 0.050 ? 0.000 {?} 7450474.50000 1073902.75000 1 {?} 0
6 {5.HD*} 7.029 0.050 0.050 ? 0.000 {?} {5.HE*} 6.794 0.050 0.050 ? 0.000 {?} 2836397.12500 -1970335.25000 1 {?} 0
7 {5.HE*} 6.794 0.050 0.050 ? 0.000 {?} {5.HD*} 7.029 0.050 0.050 ? 0.000 {?} 9113894.25000 -1875018.75000 1 {?} 0
8 {102.HE*} 6.675 0.050 0.050 ? 0.000 {?} {102.HD*} 6.951 0.050 0.050 ? 0.000 {?} 4697297.12500 735237.75000 1 {?} 0
9 {61.HE*} 6.643 0.050 0.050 ? 0.000 {?} {61.HD*} 6.583 0.050 0.050 ? 0.000 {?} 37121724.00000 5177432.00000 1 {?} 0
10 {61.HD*} 6.583 0.050 0.050 ? 0.000 {?} {61.HE*} 6.643 0.050 0.050 ? 0.000 {?} 33655952.00000 4879920.00000 1 {?} 0
11 {105.HZ} 6.806 0.050 0.050 ? 0.000 {?} {105.HD*} 6.128 0.050 0.050 ? 0.000 {?} 438899.62500 60040.62500 1 {?} 0
12 {105.HE*} 6.613 0.050 0.050 ? 0.000 {?} {105.HD*} 6.138 0.050 0.050 ? 0.000 {?} -41005.50000 -69480.75000 1 {?} 0
13 {105.HD*} 6.138 0.050 0.050 ? 0.000 {?} {105.HE*} 6.616 0.050 0.050 ? 0.000 {?} 911436.75000 137743.25000 1 {?} 0
14 {105.HD*} 6.136 0.050 0.050 ? 0.000 {?} {105.HZ} 6.809 0.050 0.050 ? 0.000 {?} 38470.25000 4225.00000 1 {?} 0
15 {108.HZ} 6.752 0.050 0.050 ? 0.000 {?} {108.HD*} 6.294 0.050 0.050 ? 0.000 {?} 810615.87500 116031.37500 1 {?} 0
16 {108.HE*} 6.708 0.050 0.050 ? 0.000 {?} {108.HD*} 6.291 0.050 0.050 ? 0.000 {?} 722461.37500 110208.37500 1 {?} 0
17 {108.HZ} 6.751 0.050 0.050 ? 0.000 {?} {108.HE*} 6.706 0.050 0.050 ? 0.000 {?} 10382080.37500 1376963.87500 1 {?} 0
19 {108.HD*} 6.291 0.050 0.050 ? 0.000 {?} {108.HZ} 6.748 0.050 0.050 ? 0.000 {?} 119725.25000 4519.62500 1 {?} 0
20 {108.HD*} 6.293 0.050 0.050 ? 0.000 {?} {108.HE*} 6.706 0.050 0.050 ? 0.000 {?} -140319.87500 -88640.62500 1 {?} 0
21 {105.HZ} 6.805 0.050 0.050 ? 0.000 {?} {105.HE*} 6.614 0.050 0.050 ? 0.000 {?} 5246866.25000 654847.62500 1 {?} 0
22 {105.HE*} 6.615 0.050 0.050 ? 0.000 {?} {105.HZ} 6.806 0.050 0.050 ? 0.000 {?} 5176840.00000 645537.75000 1 {?} 0
26 {66.HD*} 6.854 0.050 0.050 ? 0.000 {?} {66.HE*} 6.329 0.050 0.050 ? 0.000 {?} -199642.62500 -206756.12500 1 {?} 0
27 {66.HE*} 6.329 0.050 0.050 ? 0.000 {?} {66.HD*} 6.856 0.050 0.050 ? 0.000 {?} 132026.50000 -50270.62500 1 {?} 0
28 {112.HD*} 7.065 0.050 0.050 ? 0.000 {?} {112.HZ} 7.261 0.050 0.050 ? 0.000 {?} 1477758.25000 199930.62500 1 {?} 0
29 {112.HD*} 7.065 0.050 0.050 ? 0.000 {?} {112.HE*} 7.336 0.050 0.050 ? 0.000 {?} 2369343.50000 214211.12500 1 {?} 0
30 {112.HZ} 7.259 0.050 0.050 ? 0.000 {?} {112.HD*} 7.066 0.050 0.050 ? 0.000 {?} 1906496.62500 250322.25000 1 {?} 0
31 {112.HE*} 7.335 0.050 0.050 ? 0.000 {?} {112.HD*} 7.065 0.050 0.050 ? 0.000 {?} 2419445.75000 253867.12500 1 {?} 0
32 {112.HE*} 7.335 0.050 0.050 ? 0.000 {?} {112.HZ} 7.261 0.050 0.050 ? 0.000 {?} 57672432.75000 7142087.00000 1 {?} 0
33 {112.HZ} 7.260 0.050 0.050 ? 0.000 {?} {112.HE*} 7.337 0.050 0.050 ? 0.000 {?} 54559392.75000 7069430.00000 1 {?} 0
34 {123.HE*} 7.129 0.050 0.050 ? 0.000 {?} {123.HZ} 7.280 0.050 0.050 ? 0.000 {?} 8534957.12500 1044652.12500 1 {?} 0
35 {123.HE*} 7.128 0.050 0.050 ? 0.000 {?} {123.HD*} 7.394 0.050 0.050 ? 0.000 {?} 3961969.75000 522596.00000 1 {?} 0
36 {123.HZ} 7.281 0.050 0.050 ? 0.000 {?} {123.HD*} 7.389 0.050 0.050 ? 0.000 {?} 2259192.25000 291987.75000 1 {?} 0
37 {123.HD*} 7.388 0.050 0.050 ? 0.000 {?} {123.HZ} 7.281 0.050 0.050 ? 0.000 {?} 2238820.12500 297624.75000 1 {?} 0
38 {123.HD*} 7.388 0.050 0.050 ? 0.000 {?} {123.HE*} 7.129 0.050 0.050 ? 0.000 {?} 5538841.12500 605006.62500 1 {?} 0
39 {123.HZ} 7.279 0.050 0.050 ? 0.000 {?} {123.HE*} 7.130 0.050 0.050 ? 0.000 {?} 7809436.87500 947739.75000 1 {?} 0
40 {52.HD*} 7.319 0.050 0.050 ? 0.000 {?} {52.HZ} 7.010 0.050 0.050 ? 0.000 {?} 2685926.75000 330010.62500 1 {?} 0
41 {52.HE*} 7.290 0.050 0.050 ? 0.000 {?} {52.HZ} 7.009 0.050 0.050 ? 0.000 {?} 2040321.50000 219595.37500 1 {?} 0
42 {52.HZ} 7.005 0.050 0.050 ? 0.000 {?} {52.HE*} 7.290 0.050 0.050 ? 0.000 {?} 2588043.12500 286941.00000 1 {?} 0
43 {52.HZ} 7.005 0.050 0.050 ? 0.000 {?} {52.HD*} 7.317 0.050 0.050 ? 0.000 {?} 994238.62500 113737.12500 1 {?} 0
44 {52.HD*} 7.319 0.050 0.050 ? 0.000 {?} {52.HE*} 7.291 0.050 0.050 ? 0.000 {?} 39878377.00000 5540002.50000 1 {?} 0
45 {52.HE*} 7.292 0.050 0.050 ? 0.000 {?} {52.HD*} 7.319 0.050 0.050 ? 0.000 {?} 36473886.25000 5101162.00000 1 {?} 0
46 {85.HD*} 6.896 0.050 0.050 ? 0.000 {?} {85.HE*} 7.401 0.050 0.050 ? 0.000 {?} 43390.25000 -123554.25000 1 {?} 0
47 {85.HE*} 7.403 0.050 0.050 ? 0.000 {?} {85.HD*} 6.895 0.050 0.050 ? 0.000 {?} 1450844.37500 74831.87500 1 {?} 0
48 {75.HD*} 7.299 0.050 0.050 ? 0.000 {?} {75.HE*} 7.351 0.050 0.050 ? 0.000 {?} 15839999.75000 2048978.75000 1 {?} 0
49 {75.HE*} 7.351 0.050 0.050 ? 0.000 {?} {75.HD*} 7.297 0.050 0.050 ? 0.000 {?} 16150859.37500 2083828.00000 1 {?} 0
50 {66.HE*} 6.333 0.050 0.050 ? 0.000 {?} {66.HZ} 4.869 0.050 0.050 ? 0.000 {?} 3118881.75000 373173.62500 1 {?} 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 . . 10 ppm . . . 4.77 . . 34544 1
2 . . H 1 H-aromatic . . 10 ppm . . . 4.77 . . 34544 1
stop_
save_