data_AVS_bmrb_pdb_report_25446 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25446 _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 51 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 25446 1 1 1 1 86 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25446 1 1 1 1 88 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 25446 1 1 1 2 1 PNS UNSUPPORTED . . . . . . . 25446 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 51 ARG CA 56.288 . 56.77 2.31 8.3472e-01 25446 1 1 1 1 51 ARG CB 29.284 . 30.7 1.83 4.3907e-01 25446 1 1 1 1 51 ARG CG 25.586 . 27.21 1.2 1.7595e-01 25446 1 1 1 1 51 ARG H 8.876 . 8.24 0.61 2.9712e-01 25446 1 1 1 1 51 ARG HA 3.725 . 4.3 0.46 2.1130e-01 25446 1 1 1 1 51 ARG HB2 0.217 S 1.79 0.27 5.6797e-09 25446 1 1 1 1 51 ARG HB3 0.622 S 1.76 0.28 4.8180e-05 25446 1 1 1 1 51 ARG HG2 -0.254 S 1.57 0.27 1.4229e-11 25446 1 1 1 1 51 ARG HG3 0.430 S 1.54 0.29 1.2941e-04 25446 1 1 1 1 51 ARG HD2 2.679 . 3.12 0.24 6.6136e-02 25446 1 1 1 1 51 ARG HD3 2.847 . 3.1 0.26 3.3052e-01 25446 1 1 1 1 51 ARG HH11 6.991 . 6.91 0.46 8.6023e-01 25446 1 1 1 1 51 ARG N 116.918 . 120.8 3.68 2.9148e-01 25446 1 1 1 1 51 ARG NE 117.547 A 84.63 1.68 1.7585e-85 25446 1 1 1 1 86 ALA CA 52.288 . 53.14 1.98 6.6697e-01 25446 1 1 1 1 86 ALA H 8.340 . 8.2 0.6 8.1550e-01 25446 1 1 1 1 86 ALA HB1 4.293 A 1.35 0.26 1.0539e-29 25446 1 1 1 1 86 ALA HB2 4.293 A 1.35 0.26 1.0539e-29 25446 1 1 1 1 86 ALA HB3 4.293 A 1.35 0.26 1.0539e-29 25446 1 1 1 1 86 ALA N 126.280 . 123.23 3.54 3.8892e-01 25446 1 1 1 1 88 LEU H 8.435 . 8.23 0.65 7.5247e-01 25446 1 1 1 1 88 LEU HA 0.000 A 4.32 0.47 3.8744e-20 25446 1 1 1 1 88 LEU HB2 0.000 S 1.61 0.34 2.1874e-06 25446 1 1 1 1 88 LEU HB3 0.000 S 1.52 0.36 2.4191e-05 25446 1 1 1 1 88 LEU HG 0.000 S 1.51 0.33 4.7450e-06 25446 1 1 1 1 88 LEU HD11 0.000 . 0.75 0.28 7.3937e-03 25446 1 1 1 1 88 LEU HD12 0.000 . 0.75 0.28 7.3937e-03 25446 1 1 1 1 88 LEU HD13 0.000 . 0.75 0.28 7.3937e-03 25446 1 1 1 1 88 LEU HD21 0.000 . 0.73 0.29 1.1828e-02 25446 1 1 1 1 88 LEU HD22 0.000 . 0.73 0.29 1.1828e-02 25446 1 1 1 1 88 LEU HD23 0.000 . 0.73 0.29 1.1828e-02 25446 1 1 1 1 88 LEU N 125.379 . 121.86 3.9 3.6689e-01 25446 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 51 ARG LYS 0.59 25446 1 1 1 1 51 ARG ARG 0.31 25446 1 1 1 1 51 ARG LEU 0.08 25446 1 1 1 1 86 ALA ALA 0.34 25446 1 1 1 1 86 ALA ASN 0.26 25446 1 1 1 1 86 ALA ASP 0.12 25446 1 1 1 1 86 ALA LEU 0.06 25446 1 1 1 1 86 ALA MET 0.04 25446 1 1 1 1 86 ALA HIS 0.03 25446 1 1 1 1 86 ALA ARG 0.02 25446 1 1 1 1 86 ALA PRO 0.02 25446 1 1 1 1 86 ALA GLN 0.02 25446 1 1 1 1 86 ALA TRP 0.01 25446 1 1 1 1 86 ALA LYS 0.01 25446 1 1 1 1 86 ALA PHE 0.01 25446 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25446 _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 25446 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25446 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25446 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25446 _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_