data_AVS_bmrb_pdb_report_16389
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 16389
_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 70 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16389 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 70 ASN CA 55.690 . 53.43 1.94 2.4404e-01 16389 1
1 1 1 70 ASN CB 37.788 . 38.66 1.78 6.2421e-01 16389 1
1 1 1 70 ASN H 7.684 . 8.37 0.65 2.9125e-01 16389 1
1 1 1 70 ASN HA 4.677 . 4.7 0.39 9.5297e-01 16389 1
1 1 1 70 ASN HB2 2.841 . 2.8 0.34 9.0402e-01 16389 1
1 1 1 70 ASN HB3 2.175 . 2.78 0.34 7.5172e-02 16389 1
1 1 1 70 ASN HD21 10.058 A 7.27 0.52 8.2516e-08 16389 1
1 1 1 70 ASN HD22 7.531 . 7.2 0.52 5.2443e-01 16389 1
1 1 1 70 ASN N 116.860 . 119.13 4.42 6.0755e-01 16389 1
1 1 1 70 ASN ND2 118.137 . 112.83 2.6 4.1236e-02 16389 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 70 ASN CYS 0.25 16389 1
1 1 1 70 ASN TYR 0.18 16389 1
1 1 1 70 ASN ASN 0.15 16389 1
1 1 1 70 ASN PHE 0.12 16389 1
1 1 1 70 ASN GLU 0.12 16389 1
1 1 1 70 ASN ASP 0.06 16389 1
1 1 1 70 ASN ILE 0.03 16389 1
1 1 1 70 ASN MET 0.03 16389 1
1 1 1 70 ASN LEU 0.01 16389 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 16389
_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 16389 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 16389 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 16389 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 16389
_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_