data_AVS_bmrb_pdb_report_17318 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17318 _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 11 VAL Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 17318 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 11 VAL C 175.874 . 175.69 2.03 9.2778e-01 17318 1 1 1 1 11 VAL CA 61.926 . 62.48 3.04 8.5540e-01 17318 1 1 1 1 11 VAL CB 31.230 . 32.66 1.91 4.5404e-01 17318 1 1 1 1 11 VAL CG1 24.941 . 21.38 1.53 1.9941e-02 17318 1 1 1 1 11 VAL CG2 21.114 . 21.31 1.76 9.1133e-01 17318 1 1 1 1 11 VAL HA 3.432 . 4.16 0.57 2.0153e-01 17318 1 1 1 1 11 VAL HB -0.809 A 1.99 0.33 2.2170e-17 17318 1 1 1 1 11 VAL HG11 0.250 . 0.84 0.27 2.8875e-02 17318 1 1 1 1 11 VAL HG12 0.250 . 0.84 0.27 2.8875e-02 17318 1 1 1 1 11 VAL HG13 0.250 . 0.84 0.27 2.8875e-02 17318 1 1 1 1 11 VAL HG21 0.143 . 0.83 0.29 1.7838e-02 17318 1 1 1 1 11 VAL HG22 0.143 . 0.83 0.29 1.7838e-02 17318 1 1 1 1 11 VAL HG23 0.143 . 0.83 0.29 1.7838e-02 17318 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 11 VAL CYS 0.65 17318 1 1 1 1 11 VAL VAL 0.33 17318 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17318 _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 17318 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17318 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17318 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17318 _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_