Content for NMR-STAR saveframe, "spectral_peak_list_3"
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 30871
_Spectral_peak_list.ID 3
_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 8
_Spectral_peak_list.Experiment_name '3D HNCO'
_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
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Accessed via the Ponderosa Web client.
Automatic NOE assignments via CYANA.
Structure calculation and refinement via simulated annealing carried out using X-PLOR NIH.
Lee W, Stark JL, Markley JL. (2014) PONDEROSA-C/S: Client-server based software package
for automated protein 3D structure determination. Journal of Biomolecular NMR 60(2-3):73-5.
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_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
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label dataset sw sf
1H C13
20191217_AromaticcHSQC.nv
8389.26171875 4523.11523437
599.607971191 150.776000977
1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 flag8 flag9
0 {} 7.11707 0.02924 0.01155 ++ {0.0} {} {} 134.03189 0.05265 0.01537 ++ {0.0} {} 0.0 -0.0226 0 {} 0 0 0
1 {} 7.11814 0.03734 0.10392 ++ {0.0} {} {} 133.48396 0.46467 0.83600 ++ {0.0} {} 0.0 0.3802 0 {} 0 0 0
2 {} 6.67861 0.02797 0.01182 ++ {0.0} {} {} 118.78665 0.06604 0.01694 ++ {0.0} {} 0.0 -0.0221 0 {} 0 0 0
3 {} 6.67778 0.03173 0.06865 ++ {0.0} {} {} 118.30606 0.37986 0.68522 ++ {0.0} {} 0.0 0.2730 0 {} 0 0 0
4 {} 6.79964 0.03827 0.06694 ++ {0.0} {} {} 118.17395 0.39378 0.63477 ++ {0.0} {} 0.0 0.1486 0 {} 0 0 0
5 {} 3.33025 0.06268 0.07847 ++ {0.0} {} {} 133.40340 0.61617 0.74141 ++ {0.0} {} 0.0 0.0531 0 {} 0 0 0
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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 HN 3 . 2101.412 Hz . . . 4.778 . . 30871 3
2 . . C 13 CO . . 3015.410 Hz . . . 174.066 . . 30871 3
3 . . N 15 N 1 . 1400.021 Hz . . . 119.150 . . 30871 3
stop_
save_