data_AVS_bmrb_pdb_report_25394 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25394 _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 42 VAL Anomalous Suspicious Suspicious Consistent Anomalous Indeterminable "CA > CB" 0.9997 25394 1 1 1 1 78 VAL Anomalous Suspicious Suspicious Anomalous Anomalous Indeterminable "CB > CG2" 0.9995 25394 1 1 1 2 1 PHQ UNSUPPORTED . . . . . . . 25394 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 42 VAL CA 24.08885 A 62.49 2.86 4.2023e-41 25394 1 1 1 1 42 VAL CB 28.93541 . 32.73 1.79 3.4016e-02 25394 1 1 1 1 42 VAL HA 3.26384 . 4.19 0.58 1.1030e-01 25394 1 1 1 1 42 VAL HB 1.81024 . 1.98 0.32 5.9577e-01 25394 1 1 1 1 78 VAL CB 15.597025 A 32.73 1.79 1.0537e-21 25394 1 1 1 1 78 VAL CG2 19.25132 . 21.26 1.56 1.9788e-01 25394 1 1 1 1 78 VAL HB 15.443985 A 1.98 0.32 0.0000e+00 25394 1 1 1 1 78 VAL HG21 1.11029 . 0.8 0.28 2.6778e-01 25394 1 1 1 1 78 VAL HG22 1.11029 . 0.8 0.28 2.6778e-01 25394 1 1 1 1 78 VAL HG23 1.11029 . 0.8 0.28 2.6778e-01 25394 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 42 VAL LYS 0.82 25394 1 1 1 1 42 VAL LEU 0.15 25394 1 1 1 1 42 VAL ARG 0.02 25394 1 1 1 1 78 VAL ILE 0.99 25394 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25394 _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 25394 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25394 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25394 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25394 _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_