Content for NMR-STAR saveframe, "spectral_peak_list_6"
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 30800
_Spectral_peak_list.ID 6
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 2
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_2
_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 '3D_(F1)_13C,15N-filtered_(F2)_15N-edited NOESY-HSQC'
_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 .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Peak Pick Table, File: data.PCK
#
# Input Parameters:
DATA DIMCOUNT 3
DATA X_AXIS 731 2574.04 600.02 6469.679 PPM 0.00
DATA Y_AXIS 512 7215.01 600.02 6471.413 PPM 0.00
DATA Z_AXIS 128 2006.42 60.81 8123.345 PPM 0.00
#
FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s
VARS PkID Sl.Z X Y Z Intensity Assign
2361 44 8.8672 0.9084 122.4964 +8.26e+05 Y188.N,HN; T494.HG2#
2363 99 8.6425 0.9046 108.3593 +1.94e+06 G73.N,HN; T494.HG2#
#manually added from nonfiltered NNOE
2580 44 8.8596 4.0340 122.5352 +5.05e+05 Y188.N,HN; T494.HA
2445 98 8.6310 0.9112 108.3234 +1.70e+06 G73.N,HN; T494.HG2#
2588 59 8.4275 0.8332 118.5175 +9.85e+05 K190.N,HN; L493.HD2#
2446 98 8.6369 1.3923 108.3150 +3.95e+05 G73.N,HN; P492.HB1
2544 98 8.6326 4.6624 108.3069 +7.82e+05 G73.N,HN; P492.HA
2649 48 8.5820 7.2926 121.5162 +8.90e+05 A108.N,HN; F489.HE1
2865 48 8.4987 1.3937 121.4807 +2.16e+06 L168.N,HN; P492.HG1
2885 81 8.6874 2.8102 112.7279 +3.98e+05 T67.N,HN; K190.HG1
;
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 . . 12 ppm . . . 4.773 . . 30800 6
2 . . N 15 N . . 33.5 ppm . . . 117.094 . . 30800 6
3 . . H 1 HN . . 12 ppm . . . 4.773 . . 30800 6
stop_
save_