data_AVS_bmrb_pdb_report_25588 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25588 _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 PHE Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 25588 1 1 1 1 109 MET Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 25588 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 25588 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 PHE C 176.100 D 175.42 1.99 7.3257e-01 25588 1 1 1 1 12 PHE CA 56.610 D 58.08 2.57 5.6733e-01 25588 1 1 1 1 12 PHE CB 35.280 D 39.99 2.09 2.4222e-02 25588 1 1 1 1 12 PHE H 8.562 D 8.36 0.72 7.7905e-01 25588 1 1 1 1 12 PHE HA 5.020 D 4.63 0.57 4.9384e-01 25588 1 1 1 1 12 PHE HB2 3.442 D 3 0.37 2.3225e-01 25588 1 1 1 1 12 PHE HB3 3.442 D 2.93 0.4 2.0054e-01 25588 1 1 1 1 12 PHE HD1 8.993 A 7.06 0.31 4.5038e-10 25588 1 1 1 1 12 PHE HD2 8.993 A 7.06 0.31 4.5038e-10 25588 1 1 1 1 12 PHE N 120.200 D 120.45 4.18 9.5231e-01 25588 1 1 1 1 109 MET C 176.000 D 176.18 2.09 9.3137e-01 25588 1 1 1 1 109 MET CA 54.910 D 56.11 2.23 5.9050e-01 25588 1 1 1 1 109 MET CB 28.750 D 32.99 2.24 5.8377e-02 25588 1 1 1 1 109 MET CE 15.060 D 17.07 1.58 2.0332e-01 25588 1 1 1 1 109 MET H 8.247 D 8.26 0.6 9.8271e-01 25588 1 1 1 1 109 MET HA 4.331 D 4.41 0.48 8.6927e-01 25588 1 1 1 1 109 MET HB2 3.498 S 2.03 0.34 1.5770e-05 25588 1 1 1 1 109 MET HB3 3.498 A 1.99 0.34 9.1947e-06 25588 1 1 1 1 109 MET HE1 2.018 D 1.89 0.46 7.8081e-01 25588 1 1 1 1 109 MET HE2 2.018 D 1.89 0.46 7.8081e-01 25588 1 1 1 1 109 MET HE3 2.018 D 1.89 0.46 7.8081e-01 25588 1 1 1 1 109 MET N 116.400 D 120.09 3.57 3.0132e-01 25588 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 PHE CYS 0.23 25588 1 1 1 1 12 PHE GLU 0.22 25588 1 1 1 1 12 PHE MET 0.17 25588 1 1 1 1 12 PHE GLN 0.11 25588 1 1 1 1 12 PHE LYS 0.11 25588 1 1 1 1 12 PHE TYR 0.04 25588 1 1 1 1 12 PHE PHE 0.02 25588 1 1 1 1 12 PHE HIS 0.01 25588 1 1 1 1 12 PHE ILE 0.01 25588 1 1 1 1 12 PHE VAL 0.01 25588 1 1 1 1 12 PHE ARG 0.01 25588 1 1 1 1 12 PHE ASN 0.01 25588 1 1 1 1 109 MET CYS 0.65 25588 1 1 1 1 109 MET MET 0.18 25588 1 1 1 1 109 MET ALA 0.08 25588 1 1 1 1 109 MET ILE 0.07 25588 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25588 _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 25588 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25588 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25588 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25588 _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_