data_AVS_bmrb_pdb_report_17160
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 17160
_AVS_report.ID 1
_AVS_report.Software_ID 1
_AVS_report.Software_label $AVS
loop_
_AVS_analysis.Assembly_ID
_AVS_analysis.Entity_assembly_ID
_AVS_analysis.Entity_ID
_AVS_analysis.Comp_index_ID
_AVS_analysis.Comp_ID
_AVS_analysis.Comp_overall_assignment_score
_AVS_analysis.Comp_typing_score
_AVS_analysis.Comp_SRO_score
_AVS_analysis.Comp_1H_shifts_analysis_status
_AVS_analysis.Comp_13C_shifts_analysis_status
_AVS_analysis.Comp_15N_shifts_analysis_status
_AVS_analysis.SRO_rule_break
_AVS_analysis.SRO_rule_break_probability
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 1 170 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17160 1
stop_
loop_
_AVS_analysis.Assembly_ID
_AVS_analysis.Entity_assembly_ID
_AVS_analysis.Entity_ID
_AVS_analysis.Comp_index_ID
_AVS_analysis.Comp_ID
_AVS_analysis.Atom_ID
_AVS_analysis.Observed_chem_shift
_AVS_analysis.Observed_chem_shift_typing
_AVS_analysis.Stat_chem_shift_expected
_AVS_analysis.Stat_chem_shift_std
_AVS_analysis.Stat_chem_shift_chi_sqr
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 1 170 LYS C 182.1 A 176.46 2.05 5.9374e-03 17160 1
1 1 1 170 LYS CA 58.0 . 56.84 2.25 6.0616e-01 17160 1
1 1 1 170 LYS CB 33.3 . 32.83 1.88 8.0259e-01 17160 1
1 1 1 170 LYS CG 24.7 . 24.91 1.31 8.7264e-01 17160 1
1 1 1 170 LYS CD 29.1 . 28.78 1.39 8.1792e-01 17160 1
1 1 1 170 LYS CE 41.9 . 41.78 0.98 9.0254e-01 17160 1
1 1 1 170 LYS H 8.03 . 8.22 0.64 7.6656e-01 17160 1
1 1 1 170 LYS HA 4.32 . 4.28 0.45 9.2917e-01 17160 1
1 1 1 170 LYS HB2 1.80 . 1.79 0.25 9.6809e-01 17160 1
1 1 1 170 LYS HB3 1.78 . 1.78 0.26 1.0000e+00 17160 1
1 1 1 170 LYS HG2 1.47 . 1.38 0.27 7.3888e-01 17160 1
1 1 1 170 LYS HG3 1.44 . 1.37 0.29 8.0926e-01 17160 1
1 1 1 170 LYS HD2 1.71 . 1.61 0.25 6.8916e-01 17160 1
1 1 1 170 LYS HE2 3.00 . 2.93 0.2 7.2634e-01 17160 1
1 1 1 170 LYS N 125.5 . 121.16 4.11 2.9099e-01 17160 1
stop_
loop_
_AVS_analysis.Assembly_ID
_AVS_analysis.Entity_assembly_ID
_AVS_analysis.Entity_ID
_AVS_analysis.Comp_index_ID
_AVS_analysis.Comp_ID
_AVS_analysis.PRTL_comp_type
_AVS_analysis.PRTL_probability_score
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 1 170 LYS LYS 0.42 17160 1
1 1 1 170 LYS CYS 0.42 17160 1
1 1 1 170 LYS ARG 0.14 17160 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 17160
_Software.ID 1
_Software.Name "AutoPeak - validate_assignments"
_Software.Version 1.4
_Software.Details
;
Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous"
;
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
"Hunter Moseley"
;
Center for Advanced Biotechnology and Medicine
Rutgers University
679 Hoes Lane, Piscataway NJ 08854-5638
;
hunter@cabm.rutgers.edu 17160 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 17160 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 17160 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 17160
_Citation.ID 2
_Citation.Class citation
_Citation.PubMed_ID 14872126
_Citation.Full_citation
;
Moseley HN, Sahota G, Montelione GT., Assignment validation software suite
for the evaluation and presentation of protein resonance assignment data.
J Biomol NMR. 28, 341-55 (2004)
;
_Citation.Status published
_Citation.Type journal
save_