data_AVS_bmrb_pdb_report_17762
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 17762
_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 10 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 17762 1
1 1 1 80 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17762 1
1 1 1 85 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17762 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 10 ARG CA 56.663 . 56.77 2.31 9.6306e-01 17762 1
1 1 1 10 ARG CB 27.683 . 30.7 1.83 9.9223e-02 17762 1
1 1 1 10 ARG CG 29.440 . 27.21 1.2 6.3122e-02 17762 1
1 1 1 10 ARG CD 40.563 . 43.16 0.88 3.1661e-03 17762 1
1 1 1 10 ARG H 8.323 . 8.24 0.61 8.9177e-01 17762 1
1 1 1 10 ARG HA 4.197 . 4.3 0.46 8.2282e-01 17762 1
1 1 1 10 ARG HB2 2.003 . 1.79 0.27 4.3018e-01 17762 1
1 1 1 10 ARG HG2 1.857 . 1.57 0.27 2.8780e-01 17762 1
1 1 1 10 ARG HD2 3.227 . 3.12 0.24 6.5572e-01 17762 1
1 1 1 10 ARG HE 9.679 S 7.4 0.63 2.9751e-04 17762 1
1 1 1 10 ARG N 120.914 . 120.8 3.68 9.7529e-01 17762 1
1 1 1 10 ARG NE 113.575 A 84.63 1.68 1.6045e-66 17762 1
1 1 1 80 ARG CA 54.907 . 56.77 2.31 4.1996e-01 17762 1
1 1 1 80 ARG CB 27.391 . 30.7 1.83 7.0576e-02 17762 1
1 1 1 80 ARG CG 24.765 . 27.21 1.2 4.1600e-02 17762 1
1 1 1 80 ARG CD 40.856 . 43.16 0.88 8.8400e-03 17762 1
1 1 1 80 ARG H 9.508 . 8.24 0.61 3.7646e-02 17762 1
1 1 1 80 ARG HA 4.376 . 4.3 0.46 8.6877e-01 17762 1
1 1 1 80 ARG HB2 1.869 . 1.79 0.27 7.6983e-01 17762 1
1 1 1 80 ARG HG2 1.706 . 1.57 0.27 6.1447e-01 17762 1
1 1 1 80 ARG HD2 3.131 . 3.12 0.24 9.6344e-01 17762 1
1 1 1 80 ARG HE 7.336 . 7.4 0.63 9.1908e-01 17762 1
1 1 1 80 ARG N 122.767 . 120.8 3.68 5.9299e-01 17762 1
1 1 1 80 ARG NE 115.526 A 84.63 1.68 1.5660e-75 17762 1
1 1 1 85 ARG CA 52.272 . 56.77 2.31 5.1512e-02 17762 1
1 1 1 85 ARG CB 30.903 . 30.7 1.83 9.1167e-01 17762 1
1 1 1 85 ARG CG 24.756 . 27.21 1.2 4.0855e-02 17762 1
1 1 1 85 ARG CD 40.856 . 43.16 0.88 8.8400e-03 17762 1
1 1 1 85 ARG H 8.204 . 8.24 0.61 9.5294e-01 17762 1
1 1 1 85 ARG HA 5.412 . 4.3 0.46 1.5632e-02 17762 1
1 1 1 85 ARG HB2 1.994 . 1.79 0.27 4.4992e-01 17762 1
1 1 1 85 ARG HG2 1.700 . 1.57 0.27 6.3017e-01 17762 1
1 1 1 85 ARG HD2 3.261 . 3.12 0.24 5.5687e-01 17762 1
1 1 1 85 ARG HE 7.790 . 7.4 0.63 5.3589e-01 17762 1
1 1 1 85 ARG N 122.200 . 120.8 3.68 7.0362e-01 17762 1
1 1 1 85 ARG NE 115.659 A 84.63 1.68 3.6247e-76 17762 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 10 ARG CYS 0.84 17762 1
1 1 1 10 ARG LYS 0.11 17762 1
1 1 1 10 ARG LEU 0.03 17762 1
1 1 1 80 ARG LEU 0.54 17762 1
1 1 1 80 ARG CYS 0.24 17762 1
1 1 1 80 ARG LYS 0.2 17762 1
1 1 1 85 ARG CYS 0.57 17762 1
1 1 1 85 ARG LYS 0.37 17762 1
1 1 1 85 ARG ALA 0.02 17762 1
1 1 1 85 ARG ARG 0.01 17762 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 17762
_Software.ID 1
_Software.Name "AutoPeak - validate_assignments"
_Software.Version 2011-12-10
_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 17762 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 17762 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 17762 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 17762
_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_