data_AVS_bmrb_pdb_report_17686 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17686 _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 31 ASN Anomalous Consistent Consistent Anomalous Consistent Suspicious . . 17686 1 1 1 1 89 LYS Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 17686 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 31 ASN C 173.76 . 175.16 1.76 4.2635e-01 17686 1 1 1 1 31 ASN CA 54.80 . 53.43 1.94 4.8007e-01 17686 1 1 1 1 31 ASN CB 41.80 . 38.66 1.78 7.7725e-02 17686 1 1 1 1 31 ASN H 7.11 . 8.37 0.65 5.2567e-02 17686 1 1 1 1 31 ASN HA 4.45 . 4.7 0.39 5.2151e-01 17686 1 1 1 1 31 ASN HB2 1.31 S 2.8 0.34 1.1740e-05 17686 1 1 1 1 31 ASN HB3 1.05 S 2.78 0.34 3.6141e-07 17686 1 1 1 1 31 ASN HD21 9.50 A 7.27 0.52 1.7991e-05 17686 1 1 1 1 31 ASN HD22 8.32 . 7.2 0.52 3.1252e-02 17686 1 1 1 1 31 ASN N 111.37 . 119.13 4.42 7.9147e-02 17686 1 1 1 1 31 ASN ND2 122.17 S 112.83 2.6 3.2776e-04 17686 1 1 1 1 89 LYS CA 55.99 . 56.84 2.25 7.0560e-01 17686 1 1 1 1 89 LYS CB 29.03 . 32.83 1.88 4.3251e-02 17686 1 1 1 1 89 LYS CG 25.00 . 24.91 1.31 9.4523e-01 17686 1 1 1 1 89 LYS CD 29.14 . 28.78 1.39 7.9564e-01 17686 1 1 1 1 89 LYS CE 42.36 . 41.78 0.98 5.5396e-01 17686 1 1 1 1 89 LYS H 11.73 A 8.22 0.64 4.1493e-08 17686 1 1 1 1 89 LYS HA 3.74 . 4.28 0.45 2.3014e-01 17686 1 1 1 1 89 LYS HB2 1.80 . 1.79 0.25 9.6809e-01 17686 1 1 1 1 89 LYS HB3 1.92 . 1.78 0.26 5.9026e-01 17686 1 1 1 1 89 LYS HG2 1.19 . 1.38 0.27 4.8162e-01 17686 1 1 1 1 89 LYS HG3 1.30 . 1.37 0.29 8.0926e-01 17686 1 1 1 1 89 LYS HE2 2.88 . 2.93 0.2 8.0259e-01 17686 1 1 1 1 89 LYS HE3 2.88 . 2.93 0.2 8.0259e-01 17686 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 31 ASN LEU 0.25 17686 1 1 1 1 31 ASN ASP 0.23 17686 1 1 1 1 31 ASN LYS 0.19 17686 1 1 1 1 31 ASN ARG 0.09 17686 1 1 1 1 31 ASN PHE 0.08 17686 1 1 1 1 31 ASN TYR 0.06 17686 1 1 1 1 31 ASN ASN 0.04 17686 1 1 1 1 89 LYS ARG 0.52 17686 1 1 1 1 89 LYS LYS 0.37 17686 1 1 1 1 89 LYS LEU 0.05 17686 1 1 1 1 89 LYS GLY 0.02 17686 1 1 1 1 89 LYS MET 0.01 17686 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17686 _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 17686 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17686 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17686 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17686 _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_