Content for NMR-STAR saveframe, "spectral_peak_list_5"
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 30093
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 6
_Spectral_peak_list.Sample_label $sample_6
_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 18
_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.
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_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_TB_complex/4D-N15-C13-internoe-noesy
# User: yonggang
# Date: Sat Jul 11 23:42:18 2015
#
# Input Parameters:
DATA DIMCOUNT 4
DATA X_AXIS 128 4809.06 601.13 3930.206 PPM 0.01
DATA Y_AXIS 512 3605.77 601.13 6333.710 PPM 0.01
DATA Z_AXIS 32 3023.21 151.16 8011.652 PPM 0.63
DATA A_AXIS 32 1583.90 60.92 8062.845 PPM 0.08
# HZ_START_X: -1.4PPM HZ_END_X: 6.54PPM
# HZ_START_Y: 4.5PPM HZ_END_Y: 10.54PPM
# 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 8 22 0.85 8.57 39.87 126.70 +6.07e+06 I29.CG2,HG2#; V244.N,HN
3 9 22 0.76 8.71 39.88 126.12 +6.48e+06 V32.CG1,HG1#; D246.N,HN
9 13 19 1.28 8.16 41.69 122.62 +5.46e+06 T23.CG2,HG2#; K206.N,HN
14 13 25 1.45 8.17 37.87 122.47 +4.50e+06 A41.CB,HB#; V222.N,HN
2 17 17 0.74 8.43 42.87 119.35 +6.24e+06 L42.CD2,HD2#; A229.N,HN
15 17 30 0.91 8.42 34.86 119.28 +5.21e+06 I29.CD1,HD1#; A229.N,HN
1 18 20 1.15 7.88 41.08 118.61 +6.99e+06 T22.CG2,HG2#; V239.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 5
2 . . N 15 N . folded 1583.899 Hz . . . 7278.86 . . 30093 5
3 . . H 1 H-aliphatic . 'not observed' 4809.062 Hz . . . 2828.00 . . 30093 5
4 . . C 13 C-aliphatic . folded 3023.208 Hz . . . 6121.94 . . 30093 5
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 5
stop_
save_