data_AVS_bmrb_pdb_report_15800 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15800 _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 40 ASN Anomalous Consistent Consistent Anomalous Consistent Suspicious . . 15800 1 1 1 1 63 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15800 1 1 1 2 1 LAT UNSUPPORTED . . . . . . . 15800 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 40 ASN CA 53.01 . 53.43 1.94 8.2860e-01 15800 1 1 1 1 40 ASN CB 41.86 . 38.66 1.78 7.2216e-02 15800 1 1 1 1 40 ASN H 7.45 . 8.37 0.65 1.5696e-01 15800 1 1 1 1 40 ASN HA 5.47 . 4.7 0.39 4.8341e-02 15800 1 1 1 1 40 ASN HB2 2.55 . 2.8 0.34 4.6216e-01 15800 1 1 1 1 40 ASN HB3 2.16 . 2.78 0.34 6.8223e-02 15800 1 1 1 1 40 ASN HD21 9.34 A 7.27 0.52 6.8693e-05 15800 1 1 1 1 40 ASN HD22 7.22 . 7.2 0.52 9.6932e-01 15800 1 1 1 1 40 ASN N 122.78 . 119.13 4.42 4.0892e-01 15800 1 1 1 1 40 ASN ND2 123.12 S 112.83 2.6 7.5677e-05 15800 1 1 1 1 63 LYS CA 56.13 . 56.84 2.25 7.5234e-01 15800 1 1 1 1 63 LYS CB 37.49 . 32.83 1.88 1.3185e-02 15800 1 1 1 1 63 LYS CG 25.36 . 24.91 1.31 7.3121e-01 15800 1 1 1 1 63 LYS CD 29.36 . 28.78 1.39 6.7648e-01 15800 1 1 1 1 63 LYS CE 41.34 . 41.78 0.98 6.5345e-01 15800 1 1 1 1 63 LYS H 8.90 . 8.22 0.64 2.8801e-01 15800 1 1 1 1 63 LYS HA 4.63 . 4.28 0.45 4.3670e-01 15800 1 1 1 1 63 LYS HB2 1.03 . 1.79 0.25 2.3658e-03 15800 1 1 1 1 63 LYS HB3 0.78 S 1.78 0.26 1.1999e-04 15800 1 1 1 1 63 LYS HG2 0.44 S 1.38 0.27 4.9865e-04 15800 1 1 1 1 63 LYS HG3 -0.28 S 1.37 0.29 1.2730e-08 15800 1 1 1 1 63 LYS HD2 0.78 S 1.61 0.25 9.0017e-04 15800 1 1 1 1 63 LYS HD3 0.42 S 1.61 0.25 1.9359e-06 15800 1 1 1 1 63 LYS HE2 1.65 S 2.93 0.2 1.5538e-10 15800 1 1 1 1 63 LYS HE3 1.33 A 2.93 0.2 1.2442e-15 15800 1 1 1 1 63 LYS N 121.60 . 121.16 4.11 9.1474e-01 15800 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 40 ASN ASP 0.29 15800 1 1 1 1 40 ASN LEU 0.22 15800 1 1 1 1 40 ASN LYS 0.11 15800 1 1 1 1 40 ASN CYS 0.1 15800 1 1 1 1 40 ASN ASN 0.09 15800 1 1 1 1 40 ASN ARG 0.06 15800 1 1 1 1 40 ASN PHE 0.04 15800 1 1 1 1 40 ASN TYR 0.03 15800 1 1 1 1 63 LYS CYS 0.58 15800 1 1 1 1 63 LYS ARG 0.23 15800 1 1 1 1 63 LYS LYS 0.17 15800 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15800 _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 15800 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15800 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15800 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15800 _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_