data_AVS_bmrb_pdb_report_17886 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17886 _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 12 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17886 1 1 1 1 65 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17886 1 1 1 2 1 PNS UNSUPPORTED . . . . . . . 17886 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 12 VAL CA 67.204 . 62.49 2.86 9.9301e-02 17886 1 1 1 1 12 VAL CB 31.272 . 32.73 1.79 4.1534e-01 17886 1 1 1 1 12 VAL CG1 22.939 . 21.49 1.36 2.8668e-01 17886 1 1 1 1 12 VAL H 8.132 . 8.29 0.67 8.1357e-01 17886 1 1 1 1 12 VAL HA 4.765 . 4.19 0.58 3.2150e-01 17886 1 1 1 1 12 VAL HB 3.441 A 1.98 0.32 4.9801e-06 17886 1 1 1 1 12 VAL HG11 0.996 . 0.83 0.26 5.2317e-01 17886 1 1 1 1 12 VAL HG12 0.996 . 0.83 0.26 5.2317e-01 17886 1 1 1 1 12 VAL HG13 0.996 . 0.83 0.26 5.2317e-01 17886 1 1 1 1 12 VAL HG21 0.853 . 0.8 0.28 8.4987e-01 17886 1 1 1 1 12 VAL HG22 0.853 . 0.8 0.28 8.4987e-01 17886 1 1 1 1 12 VAL HG23 0.853 . 0.8 0.28 8.4987e-01 17886 1 1 1 1 12 VAL N 118.204 . 121.14 4.54 5.1783e-01 17886 1 1 1 1 65 SER C 169.702 . 174.62 1.72 4.2457e-03 17886 1 1 1 1 65 SER CA 55.344 . 58.72 2.07 1.0291e-01 17886 1 1 1 1 65 SER CB 66.676 . 63.8 1.48 5.1987e-02 17886 1 1 1 1 65 SER H 7.109 . 8.28 0.59 4.7173e-02 17886 1 1 1 1 65 SER HA 3.492 . 4.48 0.4 1.3511e-02 17886 1 1 1 1 65 SER HB2 5.933 A 3.88 0.25 2.1753e-16 17886 1 1 1 1 65 SER HB3 5.933 A 3.85 0.27 1.2116e-14 17886 1 1 1 1 65 SER N 112.891 . 116.28 3.52 3.3566e-01 17886 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 12 VAL VAL 0.99 17886 1 1 1 1 65 SER SER 0.88 17886 1 1 1 1 65 SER THR 0.11 17886 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17886 _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 17886 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17886 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17886 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17886 _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_