data_AVS_bmrb_pdb_report_30421 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30421 _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 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 30421 1 1 1 1 71 SER Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HB3" 1.0000 30421 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 LEU C 178.4 . 176.99 1.98 4.7639e-01 30421 1 1 1 1 16 LEU CA 57.9 . 55.62 2.13 2.8443e-01 30421 1 1 1 1 16 LEU CB 42.5 . 42.31 1.88 9.1950e-01 30421 1 1 1 1 16 LEU CG 28.4 . 26.78 1.1 1.4082e-01 30421 1 1 1 1 16 LEU H 8.35 . 8.23 0.65 8.5353e-01 30421 1 1 1 1 16 LEU HA 3.96 . 4.32 0.47 4.4370e-01 30421 1 1 1 1 16 LEU HB2 3.44 A 1.61 0.34 7.3518e-08 30421 1 1 1 1 16 LEU HB3 3.44 A 1.52 0.36 9.6426e-08 30421 1 1 1 1 16 LEU N 120.1 . 121.86 3.9 6.5179e-01 30421 1 1 1 1 71 SER C 177.8 . 174.62 1.72 6.4482e-02 30421 1 1 1 1 71 SER CA 61.9 . 58.72 2.07 1.2448e-01 30421 1 1 1 1 71 SER CB 65.2 . 63.8 1.48 3.4418e-01 30421 1 1 1 1 71 SER H 8.01 . 8.28 0.59 6.4722e-01 30421 1 1 1 1 71 SER HA 4.00 . 4.48 0.4 2.3014e-01 30421 1 1 1 1 71 SER HB2 4.17 . 3.88 0.25 2.4605e-01 30421 1 1 1 1 71 SER HB3 41.7 A 3.85 0.27 0.0000e+00 30421 1 1 1 1 71 SER N 113.4 . 116.28 3.52 4.1325e-01 30421 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 16 LEU LYS 0.41 30421 1 1 1 1 16 LEU ARG 0.32 30421 1 1 1 1 16 LEU LEU 0.17 30421 1 1 1 1 16 LEU ILE 0.06 30421 1 1 1 1 16 LEU GLY 0.01 30421 1 1 1 1 71 SER SER 0.9 30421 1 1 1 1 71 SER THR 0.09 30421 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30421 _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 30421 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30421 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30421 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30421 _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_