data_AVS_bmrb_pdb_report_25188 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25188 _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 1 138 GLU Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB3" 1.0000 25188 1 1 1 1 138 GLU . . . . . . "HA > HG2" 1.0000 25188 1 1 1 1 138 GLU . . . . . . "HA > HG3" 1.0000 25188 1 1 1 2 1 U UNSUPPORTED . . . . . . . 25188 1 1 1 2 2 GLY UNSUPPORTED . . . . . . . 25188 1 1 1 2 4 CYS UNSUPPORTED . . . . . . . 25188 1 1 1 2 5 ALA UNSUPPORTED . . . . . . . 25188 1 1 1 2 6 CYS UNSUPPORTED . . . . . . . 25188 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 1 138 GLU C 173.486 . 176.87 1.95 8.2673e-02 25188 1 1 1 1 138 GLU CA 57.090 . 57.32 2.09 9.1237e-01 25188 1 1 1 1 138 GLU CB 29.351 . 30.01 1.72 7.0162e-01 25188 1 1 1 1 138 GLU CG 35.159 . 36.11 1.19 4.2420e-01 25188 1 1 1 1 138 GLU H 6.121 S 8.33 0.59 1.8106e-04 25188 1 1 1 1 138 GLU HA 1.320 A 4.25 0.41 8.9121e-13 25188 1 1 1 1 138 GLU HB2 -0.135 A 2.02 0.21 1.0462e-24 25188 1 1 1 1 138 GLU HB3 1.615 . 1.99 0.23 1.0301e-01 25188 1 1 1 1 138 GLU HG2 1.515 S 2.27 0.21 3.2410e-04 25188 1 1 1 1 138 GLU HG3 1.803 . 2.25 0.22 4.2172e-02 25188 1 1 1 1 138 GLU N 129.557 . 120.67 3.48 1.0657e-02 25188 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 1 138 GLU GLU 0.26 25188 1 1 1 1 138 GLU CYS 0.26 25188 1 1 1 1 138 GLU GLN 0.2 25188 1 1 1 1 138 GLU LYS 0.18 25188 1 1 1 1 138 GLU MET 0.03 25188 1 1 1 1 138 GLU ILE 0.02 25188 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25188 _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 25188 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25188 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25188 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25188 _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_