data_AVS_bmrb_pdb_report_30139 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30139 _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 38 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 30139 1 1 1 1 130 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 30139 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 30139 1 1 1 3 1 UNL UNSUPPORTED . . . . . . . 30139 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 38 ASP C 175.17 . 176.4 1.75 4.8214e-01 30139 1 1 1 1 38 ASP CA 51.57 . 54.69 2.03 1.2431e-01 30139 1 1 1 1 38 ASP CB 44.05 . 40.88 1.62 5.0372e-02 30139 1 1 1 1 38 ASP H 9.00 . 8.31 0.58 2.3418e-01 30139 1 1 1 1 38 ASP HA 6.67 A 4.59 0.32 8.0320e-11 30139 1 1 1 1 38 ASP HB2 2.52 . 2.72 0.26 4.4176e-01 30139 1 1 1 1 38 ASP HB3 2.72 . 2.66 0.28 8.3032e-01 30139 1 1 1 1 38 ASP N 119.67 . 120.65 3.86 7.9958e-01 30139 1 1 1 1 130 PRO C 174.82 . 176.75 1.51 2.0120e-01 30139 1 1 1 1 130 PRO CA 62.61 . 63.33 1.52 6.3572e-01 30139 1 1 1 1 130 PRO CB 30.92 . 31.85 1.18 4.3062e-01 30139 1 1 1 1 130 PRO CG 27.64 . 27.17 1.09 6.6633e-01 30139 1 1 1 1 130 PRO CD 50.30 . 50.32 0.99 9.8388e-01 30139 1 1 1 1 130 PRO HA 3.60 . 4.4 0.33 1.5340e-02 30139 1 1 1 1 130 PRO HB2 -0.75 A 2.08 0.35 6.1801e-16 30139 1 1 1 1 130 PRO HB3 1.32 . 2 0.36 5.8907e-02 30139 1 1 1 1 130 PRO HG2 0.56 S 1.93 0.31 9.8996e-06 30139 1 1 1 1 130 PRO HG3 1.22 . 1.9 0.33 3.9341e-02 30139 1 1 1 1 130 PRO HD2 3.00 . 3.65 0.35 6.3291e-02 30139 1 1 1 1 130 PRO HD3 3.65 . 3.61 0.39 9.1831e-01 30139 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 38 ASP GLY 0.6 30139 1 1 1 1 38 ASP LEU 0.19 30139 1 1 1 1 38 ASP ARG 0.08 30139 1 1 1 1 38 ASP ASP 0.08 30139 1 1 1 1 38 ASP PHE 0.01 30139 1 1 1 1 130 PRO PRO 0.99 30139 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30139 _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 30139 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30139 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30139 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30139 _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_