data_AVS_bmrb_pdb_report_4268 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4268 _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 16 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4268 1 1 1 1 20 CYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB2" 0.9986 4268 1 1 1 1 20 CYS . . . . . . "H > HB3" 0.9986 4268 1 1 1 1 24 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4268 1 1 1 1 33 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4268 1 1 1 1 39 CYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB2" 0.9986 4268 1 1 1 1 39 CYS . . . . . . "H > HB3" 0.9986 4268 1 1 1 1 42 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4268 1 1 1 1 45 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4268 1 1 1 1 49 CYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB2" 0.9986 4268 1 1 1 1 49 CYS . . . . . . "H > HB3" 0.9986 4268 1 1 1 2 31 FS UNSUPPORTED . . . . . . . 4268 1 1 1 3 41 FS UNSUPPORTED . . . . . . . 4268 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 16 CYS HA 8.82 A 4.66 0.55 3.9195e-14 4268 1 1 1 1 16 CYS HB2 18.3 A 2.96 0.44 0.0000e+00 4268 1 1 1 1 16 CYS HB3 6.6 A 2.89 0.46 7.3106e-16 4268 1 1 1 1 20 CYS H 7.20 . 8.39 0.67 7.5713e-02 4268 1 1 1 1 20 CYS HB2 10.35 A 2.96 0.44 2.6348e-63 4268 1 1 1 1 20 CYS HB3 9.0 A 2.89 0.46 2.9204e-40 4268 1 1 1 1 24 CYS HA 6.27 . 4.66 0.55 3.4195e-03 4268 1 1 1 1 24 CYS HB2 4.98 A 2.96 0.44 4.4132e-06 4268 1 1 1 1 24 CYS HB3 2.37 . 2.89 0.46 2.5829e-01 4268 1 1 1 1 33 TYR H 8.89 . 8.32 0.73 4.3491e-01 4268 1 1 1 1 33 TYR HA 4.92 . 4.63 0.56 6.0456e-01 4268 1 1 1 1 33 TYR HB2 3.00 . 2.91 0.37 8.0782e-01 4268 1 1 1 1 33 TYR HB3 2.28 . 2.84 0.39 1.5103e-01 4268 1 1 1 1 33 TYR HD1 6.15 . 6.93 0.3 9.3224e-03 4268 1 1 1 1 33 TYR HE1 6.22 . 6.7 0.23 3.6892e-02 4268 1 1 1 1 33 TYR HH 5.59 A 9.3 1.36 6.3731e-03 4268 1 1 1 1 39 CYS H 7.53 . 8.39 0.67 1.9929e-01 4268 1 1 1 1 39 CYS HB2 11.0 A 2.96 0.44 1.3646e-74 4268 1 1 1 1 39 CYS HB3 9.0 A 2.89 0.46 2.9204e-40 4268 1 1 1 1 42 CYS HA 9.57 A 4.66 0.55 4.3664e-19 4268 1 1 1 1 42 CYS HB2 9.44 A 2.96 0.44 4.3074e-49 4268 1 1 1 1 42 CYS HB3 15.8 A 2.89 0.46 0.0000e+00 4268 1 1 1 1 45 CYS HA 7.30 A 4.66 0.55 1.5867e-06 4268 1 1 1 1 45 CYS HB2 15.9 A 2.96 0.44 0.0000e+00 4268 1 1 1 1 45 CYS HB3 5.2 A 2.89 0.46 5.1206e-07 4268 1 1 1 1 49 CYS H 6.36 . 8.39 0.67 2.4467e-03 4268 1 1 1 1 49 CYS HA 3.85 . 4.66 0.55 1.4082e-01 4268 1 1 1 1 49 CYS HB2 23.4 A 2.96 0.44 0.0000e+00 4268 1 1 1 1 49 CYS HB3 32.2 A 2.89 0.46 0.0000e+00 4268 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4268 _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 4268 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4268 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4268 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4268 _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_