data_AVS_bmrb_pdb_report_7425 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7425 _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 24 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7425 1 1 1 1 32 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7425 1 1 1 1 36 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7425 1 1 1 1 47 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7425 1 1 1 1 50 ASP Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 7425 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 7425 1 1 1 3 1 TM UNSUPPORTED . . . . . . . 7425 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 24 ASP CA 49.845 . 54.52 2.1 2.6001e-02 7425 1 1 1 1 24 ASP H 5.917 A 8.33 0.57 2.3025e-05 7425 1 1 1 1 24 ASP N 118.068 . 120.73 4.2 5.2621e-01 7425 1 1 1 1 32 LEU C 181.327 . 176.97 2.09 3.7098e-02 7425 1 1 1 1 32 LEU CA 61.644 . 55.65 2.21 6.6835e-03 7425 1 1 1 1 32 LEU H 12.573 A 8.22 0.65 2.1285e-11 7425 1 1 1 1 32 LEU N 123.594 . 121.98 4.07 6.9169e-01 7425 1 1 1 1 36 MET C 179.727 . 176.3 2.13 1.0763e-01 7425 1 1 1 1 36 MET CA 60.345 . 56.16 2.34 7.3702e-02 7425 1 1 1 1 36 MET H 10.367 A 8.26 0.6 4.4531e-04 7425 1 1 1 1 36 MET N 119.888 . 120.1 3.88 9.5643e-01 7425 1 1 1 1 47 GLU C 181.927 A 176.93 2.11 1.7873e-02 7425 1 1 1 1 47 GLU CA 60.085 . 57.42 2.19 2.2364e-01 7425 1 1 1 1 47 GLU H 8.899 . 8.34 0.61 3.5946e-01 7425 1 1 1 1 47 GLU N 120.106 . 120.68 3.68 8.7605e-01 7425 1 1 1 1 50 ASP C 182.527 A 176.41 1.77 5.4839e-04 7425 1 1 1 1 50 ASP CA 59.623 . 54.52 2.1 1.5099e-02 7425 1 1 1 1 50 ASP H 10.335 S 8.33 0.57 4.3556e-04 7425 1 1 1 1 50 ASP N 122.722 . 120.73 4.2 6.3530e-01 7425 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 24 ASP PRO 0.72 7425 1 1 1 1 24 ASP ALA 0.11 7425 1 1 1 1 24 ASP ASN 0.06 7425 1 1 1 1 24 ASP CYS 0.02 7425 1 1 1 1 24 ASP ASP 0.02 7425 1 1 1 1 32 LEU ILE 0.25 7425 1 1 1 1 32 LEU THR 0.21 7425 1 1 1 1 32 LEU VAL 0.19 7425 1 1 1 1 32 LEU PRO 0.07 7425 1 1 1 1 32 LEU CYS 0.05 7425 1 1 1 1 32 LEU PHE 0.05 7425 1 1 1 1 32 LEU TYR 0.04 7425 1 1 1 1 32 LEU SER 0.04 7425 1 1 1 1 32 LEU GLU 0.01 7425 1 1 1 1 32 LEU ARG 0.01 7425 1 1 1 1 36 MET ILE 0.15 7425 1 1 1 1 36 MET THR 0.12 7425 1 1 1 1 36 MET VAL 0.11 7425 1 1 1 1 36 MET PHE 0.1 7425 1 1 1 1 36 MET SER 0.09 7425 1 1 1 1 36 MET CYS 0.09 7425 1 1 1 1 36 MET TYR 0.09 7425 1 1 1 1 36 MET GLU 0.04 7425 1 1 1 1 36 MET ARG 0.03 7425 1 1 1 1 36 MET LYS 0.02 7425 1 1 1 1 36 MET HIS 0.02 7425 1 1 1 1 36 MET GLN 0.02 7425 1 1 1 1 36 MET MET 0.01 7425 1 1 1 1 36 MET PRO 0.01 7425 1 1 1 1 47 GLU ILE 0.13 7425 1 1 1 1 47 GLU PHE 0.11 7425 1 1 1 1 47 GLU SER 0.11 7425 1 1 1 1 47 GLU THR 0.1 7425 1 1 1 1 47 GLU CYS 0.1 7425 1 1 1 1 47 GLU TYR 0.1 7425 1 1 1 1 47 GLU VAL 0.09 7425 1 1 1 1 47 GLU GLU 0.05 7425 1 1 1 1 47 GLU ARG 0.04 7425 1 1 1 1 47 GLU LYS 0.03 7425 1 1 1 1 47 GLU HIS 0.02 7425 1 1 1 1 47 GLU GLN 0.02 7425 1 1 1 1 47 GLU MET 0.02 7425 1 1 1 1 47 GLU PRO 0.01 7425 1 1 1 1 47 GLU LEU 0.01 7425 1 1 1 1 50 ASP SER 0.12 7425 1 1 1 1 50 ASP PHE 0.12 7425 1 1 1 1 50 ASP TYR 0.11 7425 1 1 1 1 50 ASP CYS 0.1 7425 1 1 1 1 50 ASP ILE 0.09 7425 1 1 1 1 50 ASP THR 0.07 7425 1 1 1 1 50 ASP VAL 0.07 7425 1 1 1 1 50 ASP GLU 0.06 7425 1 1 1 1 50 ASP ARG 0.05 7425 1 1 1 1 50 ASP LYS 0.04 7425 1 1 1 1 50 ASP HIS 0.03 7425 1 1 1 1 50 ASP GLN 0.03 7425 1 1 1 1 50 ASP MET 0.02 7425 1 1 1 1 50 ASP LEU 0.01 7425 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7425 _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 7425 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7425 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7425 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7425 _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_