data_AVS_bmrb_pdb_report_15279 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15279 _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 46 VAL Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 15279 1 1 1 1 94 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15279 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 15279 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 46 VAL C 173.400 . 175.69 2.03 2.5929e-01 15279 1 1 1 1 46 VAL CA 60.700 . 62.48 3.04 5.5819e-01 15279 1 1 1 1 46 VAL CB 29.280 . 32.66 1.91 7.6788e-02 15279 1 1 1 1 46 VAL CG1 20.700 . 21.38 1.53 6.5672e-01 15279 1 1 1 1 46 VAL CG2 22.420 . 21.31 1.76 5.2825e-01 15279 1 1 1 1 46 VAL HA 3.022 . 4.16 0.57 4.5881e-02 15279 1 1 1 1 46 VAL HB -1.219 A 1.99 0.33 2.3767e-22 15279 1 1 1 1 46 VAL HG11 -0.175 S 0.84 0.27 1.7042e-04 15279 1 1 1 1 46 VAL HG12 -0.175 S 0.84 0.27 1.7042e-04 15279 1 1 1 1 46 VAL HG13 -0.175 S 0.84 0.27 1.7042e-04 15279 1 1 1 1 46 VAL HG21 0.505 . 0.83 0.29 2.6242e-01 15279 1 1 1 1 46 VAL HG22 0.505 . 0.83 0.29 2.6242e-01 15279 1 1 1 1 46 VAL HG23 0.505 . 0.83 0.29 2.6242e-01 15279 1 1 1 1 94 ASP C 177.330 . 176.41 1.77 6.0322e-01 15279 1 1 1 1 94 ASP CA 50.370 . 54.52 2.1 4.8133e-02 15279 1 1 1 1 94 ASP CB 35.384 . 40.7 1.67 1.4564e-03 15279 1 1 1 1 94 ASP H 7.423 . 8.33 0.57 1.1156e-01 15279 1 1 1 1 94 ASP HA 4.527 . 4.61 0.31 7.8890e-01 15279 1 1 1 1 94 ASP HB2 1.200 A 2.74 0.29 1.0942e-07 15279 1 1 1 1 94 ASP HB3 2.233 . 2.7 0.29 1.0732e-01 15279 1 1 1 1 94 ASP N 114.919 . 120.73 4.2 1.6649e-01 15279 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 46 VAL CYS 0.54 15279 1 1 1 1 46 VAL VAL 0.44 15279 1 1 1 1 94 ASP CYS 0.4 15279 1 1 1 1 94 ASP PRO 0.23 15279 1 1 1 1 94 ASP ASN 0.18 15279 1 1 1 1 94 ASP MET 0.08 15279 1 1 1 1 94 ASP LYS 0.02 15279 1 1 1 1 94 ASP GLN 0.01 15279 1 1 1 1 94 ASP GLU 0.01 15279 1 1 1 1 94 ASP TYR 0.01 15279 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15279 _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 15279 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15279 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15279 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15279 _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_