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 30093
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 5
_Spectral_peak_list.Sample_label $sample_5
_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 .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '15N, 13C edited 4D NOESY-HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 4
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details
;
Residue numbering for CikA is offset by 612.
For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list.
Residue numbering for KaiB is offset by 200.
For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list.
;
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
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# pipp Peak Pick Table, File: a.PCK
# Path: /mnt/hgfs/Desktop/data/xipp_assignment_50C_complex/nmr_data_ThCikA_complex/4D-N15-C13-internoe-noesy_redo
# User: yonggang
# Date: Fri Jul 17 19:54:23 2015
#
# Input Parameters:
# DATA DIMCOUNT 4
# DATA X_AXIS 128 4809.06 601.13 3928.403 PPM 0.01
# DATA Y_AXIS 512 3605.77 601.13 6331.907 PPM 0.01
# DATA Z_AXIS 32 3023.21 151.16 8011.198 PPM 0.63
# DATA A_AXIS 32 1583.90 60.92 8062.662 PPM 0.08
# HZ_START_X: -1.4PPM HZ_END_X: 6.53PPM
# HZ_START_Y: 4.5PPM HZ_END_Y: 10.53PPM
# SLICE_START_Z: 0 SLICE_END_Z: 32
# SLICE_START_A: 0 SLICE_END_A: 32
# PK_X_DEV: 10.0, PK_Y_DEV: 10.0; PK_MIN_LEVALS: 2
# MAX_PARAB_XDEV: 36.07, MAX_PARAB_YDEV: 240.45
# MIN_UNIQUE_X: 28.18; MIN_UNIQUE_Y: 5.28; MIN_UNIQUE_Z: 70.86; MIN_UNIQUE_A: 37.12
#
FORMAT %4d %3d %3d %7.2f %7.2f %7.2f %7.2f %+8.2e %s %s
VARS PkID Sl.A Sl.Z X Y Z A Intensity Assign1 Assign2
8 19 18 1.11 7.91 42.15 117.88 +8.53e+06 T207.CG2,HG2#; S19.N,HN
7 19 20 1.50 7.91 41.05 117.79 +6.86e+06 A241.CB,HB#; S19.N,HN
5 22 20 1.47 8.44 41.02 115.30 +5.47e+06 A241.CB,HB#; C18.N,HN
;
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 . 'not observed' 7211.539 Hz . . . 2828.00 . . 30093 1
2 . . N 15 N . folded 1583.899 Hz . . . 7278.86 . . 30093 1
3 . . H 1 H-aliphatic . 'not observed' 4809.062 Hz . . . 2828.00 . . 30093 1
4 . . C 13 C-aliphatic . folded 3023.208 Hz . . . 6121.94 . . 30093 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 30093 1
stop_
save_