data_AVS_bmrb_pdb_report_17354 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17354 _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 43 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17354 1 1 1 1 102 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17354 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 17354 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 43 PRO CA 62.406 . 63.33 1.52 5.4326e-01 17354 1 1 1 1 43 PRO CB 31.577 . 31.85 1.18 8.1704e-01 17354 1 1 1 1 43 PRO CG 27.123 . 27.17 1.09 9.6561e-01 17354 1 1 1 1 43 PRO CD 50.093 . 50.32 0.99 8.1864e-01 17354 1 1 1 1 43 PRO HA 4.723 . 4.4 0.33 3.2768e-01 17354 1 1 1 1 43 PRO HB2 2.054 . 2.08 0.35 9.4078e-01 17354 1 1 1 1 43 PRO HB3 1.958 . 2 0.36 9.0712e-01 17354 1 1 1 1 43 PRO HG2 1.911 . 1.93 0.31 9.5113e-01 17354 1 1 1 1 43 PRO HG3 1.984 . 1.9 0.33 7.9907e-01 17354 1 1 1 1 43 PRO HD2 3.233 . 3.65 0.35 2.3349e-01 17354 1 1 1 1 43 PRO HD3 3.658 . 3.61 0.39 9.0205e-01 17354 1 1 1 1 43 PRO N 109.600 A 134.16 6.62 2.0728e-04 17354 1 1 1 1 102 PRO CA 66.502 . 63.33 1.52 3.6902e-02 17354 1 1 1 1 102 PRO CB 31.474 . 31.85 1.18 7.5000e-01 17354 1 1 1 1 102 PRO CG 28.483 . 27.17 1.09 2.2836e-01 17354 1 1 1 1 102 PRO CD 49.943 . 50.32 0.99 7.0335e-01 17354 1 1 1 1 102 PRO HA 4.114 . 4.4 0.33 3.8612e-01 17354 1 1 1 1 102 PRO HB2 2.017 . 2.08 0.35 8.5715e-01 17354 1 1 1 1 102 PRO HB3 2.365 . 2 0.36 3.1064e-01 17354 1 1 1 1 102 PRO HG2 2.098 . 1.93 0.31 5.8786e-01 17354 1 1 1 1 102 PRO HG3 2.350 . 1.9 0.33 1.7268e-01 17354 1 1 1 1 102 PRO HD2 4.011 . 3.65 0.35 3.0234e-01 17354 1 1 1 1 102 PRO HD3 4.057 . 3.61 0.39 2.5173e-01 17354 1 1 1 1 102 PRO N 107.500 A 134.16 6.62 5.6447e-05 17354 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 43 PRO PRO 0.67 17354 1 1 1 1 43 PRO CYS 0.32 17354 1 1 1 1 102 PRO PRO 0.8 17354 1 1 1 1 102 PRO CYS 0.19 17354 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17354 _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 17354 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17354 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17354 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17354 _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_