data_AVS_bmrb_pdb_report_30167 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30167 _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 8 MET Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HB3" 0.9976 30167 1 1 1 1 8 MET . . . . . . "HA > HG2" 0.9982 30167 1 1 1 1 8 MET . . . . . . "HA > HG3" 0.9991 30167 1 1 1 1 9 CYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB3" 0.9986 30167 1 1 1 1 10 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 30167 1 1 1 1 11 PRO Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HG3" 1.0000 30167 1 1 1 1 11 PRO . . . . . . "HD2 > HG3" 0.9949 30167 1 1 1 1 12 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 30167 1 1 1 1 213 NH UNSUPPORTED . . . . . . . 30167 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 8 MET H 4.453 A 8.26 0.6 2.2243e-10 30167 1 1 1 1 8 MET HA 1.896 S 4.41 0.48 1.6277e-07 30167 1 1 1 1 8 MET HB2 1.896 . 2.03 0.34 6.9349e-01 30167 1 1 1 1 8 MET HB3 2.386 . 1.99 0.34 2.4414e-01 30167 1 1 1 1 8 MET HG2 2.386 . 2.42 0.35 9.2261e-01 30167 1 1 1 1 8 MET HG3 2.103 . 2.39 0.38 4.5009e-01 30167 1 1 1 1 8 MET HE1 2.103 . 1.89 0.46 6.4333e-01 30167 1 1 1 1 8 MET HE2 2.103 . 1.89 0.46 6.4333e-01 30167 1 1 1 1 8 MET HE3 8.743 S 1.89 0.46 3.4048e-50 30167 1 1 1 1 9 CYS H 4.791 S 8.39 0.67 7.8023e-08 30167 1 1 1 1 9 CYS HA 3.397 . 4.66 0.55 2.1655e-02 30167 1 1 1 1 9 CYS HB2 2.837 . 2.96 0.44 7.7983e-01 30167 1 1 1 1 9 CYS HB3 8.734 A 2.89 0.46 5.5934e-37 30167 1 1 1 1 10 VAL H 4.728 S 8.29 0.67 1.0583e-07 30167 1 1 1 1 10 VAL HA 2.155 S 4.19 0.58 4.5044e-04 30167 1 1 1 1 10 VAL HB 0.947 . 1.98 0.32 1.2460e-03 30167 1 1 1 1 10 VAL HG11 0.947 . 0.83 0.26 6.5271e-01 30167 1 1 1 1 10 VAL HG12 0.947 . 0.83 0.26 6.5271e-01 30167 1 1 1 1 10 VAL HG13 0.794 . 0.83 0.26 8.8988e-01 30167 1 1 1 1 10 VAL HG21 0.794 . 0.8 0.28 9.8290e-01 30167 1 1 1 1 10 VAL HG22 0.794 . 0.8 0.28 9.8290e-01 30167 1 1 1 1 10 VAL HG23 4.526 A 0.8 0.28 2.1037e-40 30167 1 1 1 1 11 PRO HA 2.137 S 4.4 0.33 7.0039e-12 30167 1 1 1 1 11 PRO HB2 1.847 . 2.08 0.35 5.0559e-01 30167 1 1 1 1 11 PRO HB3 1.983 . 2 0.36 9.6234e-01 30167 1 1 1 1 11 PRO HG2 1.983 . 1.93 0.31 8.6425e-01 30167 1 1 1 1 11 PRO HG3 3.883 S 1.9 0.33 1.8657e-09 30167 1 1 1 1 11 PRO HD2 3.633 . 3.65 0.35 9.6126e-01 30167 1 1 1 1 11 PRO HD3 8.865 A 3.61 0.39 2.2140e-41 30167 1 1 1 1 12 CYS H 4.509 A 8.39 0.67 6.9331e-09 30167 1 1 1 1 12 CYS HA 3.190 . 4.66 0.55 7.5237e-03 30167 1 1 1 1 12 CYS HB2 2.883 . 2.96 0.44 8.6108e-01 30167 1 1 1 1 12 CYS HB3 4.198 . 2.89 0.46 4.4624e-03 30167 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30167 _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 30167 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30167 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30167 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30167 _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_