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 30870
_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 4
_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.
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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
20191121_JR21_800_aromatic_gChsqc.nv
5580.35693359 6034.48681641
799.963989258 201.156997681
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 {} 7.13900 0.02864 0.07119 ++ {0.0} {} {} 133.30313 0.37440 0.83335 ++ {0.0} {} 0.0 0.3370 0 {} 0 0 0
1 {} 7.09299 0.02889 0.06369 ++ {0.0} {} {} 133.49507 0.48648 0.99323 ++ {0.0} {} 0.0 0.2024 0 {} 0 0 0
2 {} 6.78258 0.02550 0.12215 ++ {0.0} {} {} 118.23631 0.34181 0.67361 ++ {0.0} {} 0.0 0.4740 0 {} 0 0 0
3 {} 6.63231 0.02671 0.22855 ++ {0.0} {} {} 118.03899 0.29213 0.65450 ++ {0.0} {} 0.0 0.1999 0 {} 0 0 0
4 {} 6.33454 0.02993 0.04590 ++ {0.0} {} {} 118.21886 0.37441 0.51207 ++ {0.0} {} 0.0 0.0131 0 {} 0 0 0
5 {} 7.23085 0.02008 0.02401 ++ {0.0} {} {} 118.25819 0.30106 0.38139 ++ {0.0} {} 0.0 0.0097 0 {} 0 0 0
6 {} 7.50718 0.03709 0.04056 ++ {0.0} {} {} 133.31856 0.41518 0.44609 ++ {0.0} {} 0.0 0.0075 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 . . 2404.53930664 Hz . . . 4.78299999237 . . 30870 3
2 . . C 13 CO . . 3770.10009766 Hz . . . 174.069000244 . . 30870 3
3 . . N 15 N . . 1800 Hz . . . 120.15599823 . . 30870 3
stop_
save_