data_AVS_bmrb_pdb_report_25243 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25243 _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 45 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25243 1 1 1 1 112 PHE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 25243 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 45 THR C 176.997 . 174.54 1.76 1.6271e-01 25243 1 1 1 1 45 THR CA 65.743 . 62.22 2.59 1.7376e-01 25243 1 1 1 1 45 THR CB 67.243 . 69.73 1.63 1.2707e-01 25243 1 1 1 1 45 THR CG2 23.396 . 21.55 1.11 9.6300e-02 25243 1 1 1 1 45 THR H 11.804 A 8.24 0.62 9.0099e-09 25243 1 1 1 1 45 THR HA 3.934 . 4.46 0.48 2.7315e-01 25243 1 1 1 1 45 THR HB 3.242 . 4.17 0.33 4.9216e-03 25243 1 1 1 1 45 THR HG21 0.281 S 1.14 0.23 1.8788e-04 25243 1 1 1 1 45 THR HG22 0.281 S 1.14 0.23 1.8788e-04 25243 1 1 1 1 45 THR HG23 0.281 S 1.14 0.23 1.8788e-04 25243 1 1 1 1 45 THR N 121.717 . 115.42 4.75 1.8494e-01 25243 1 1 1 1 112 PHE C 174.699 . 175.42 1.99 7.1712e-01 25243 1 1 1 1 112 PHE CA 63.760 . 58.08 2.57 2.7097e-02 25243 1 1 1 1 112 PHE CB 40.080 . 39.99 2.09 9.6565e-01 25243 1 1 1 1 112 PHE CD1 130.821 . 131.58 1.18 5.2008e-01 25243 1 1 1 1 112 PHE CE1 132.293 . 130.71 1.3 2.2334e-01 25243 1 1 1 1 112 PHE CZ 139.132 A 129.21 1.43 3.9639e-12 25243 1 1 1 1 112 PHE H 7.994 . 8.36 0.72 6.1122e-01 25243 1 1 1 1 112 PHE HA 3.683 . 4.63 0.57 9.6632e-02 25243 1 1 1 1 112 PHE HB2 3.289 . 3 0.37 4.3476e-01 25243 1 1 1 1 112 PHE HB3 2.873 . 2.93 0.4 8.8669e-01 25243 1 1 1 1 112 PHE HD1 6.990 . 7.06 0.31 8.2135e-01 25243 1 1 1 1 112 PHE HE1 6.986 . 7.08 0.31 7.6172e-01 25243 1 1 1 1 112 PHE HZ 7.818 . 7 0.42 5.1461e-02 25243 1 1 1 1 112 PHE N 119.862 . 120.45 4.18 8.8813e-01 25243 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 45 THR THR 0.73 25243 1 1 1 1 45 THR CYS 0.26 25243 1 1 1 1 112 PHE CYS 0.69 25243 1 1 1 1 112 PHE TYR 0.29 25243 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25243 _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 25243 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25243 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25243 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25243 _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_