data_AVS_bmrb_pdb_report_4894 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4894 _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 MET Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 4894 1 1 1 1 38 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4894 1 1 1 2 1 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 2 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 3 ALA UNSUPPORTED . . . . . . . 4894 1 1 1 2 4 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 5 ALA UNSUPPORTED . . . . . . . 4894 1 1 1 2 6 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 7 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 8 U UNSUPPORTED . . . . . . . 4894 1 1 1 2 9 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 10 U UNSUPPORTED . . . . . . . 4894 1 1 1 2 11 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 12 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 13 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 14 U UNSUPPORTED . . . . . . . 4894 1 1 1 2 15 U UNSUPPORTED . . . . . . . 4894 1 1 1 2 16 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 17 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 18 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 19 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 20 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 21 ALA UNSUPPORTED . . . . . . . 4894 1 1 1 2 22 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 23 ALA UNSUPPORTED . . . . . . . 4894 1 1 1 2 24 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 25 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 26 U UNSUPPORTED . . . . . . . 4894 1 1 1 2 27 GLY UNSUPPORTED . . . . . . . 4894 1 1 1 2 28 U UNSUPPORTED . . . . . . . 4894 1 1 1 2 29 CYS UNSUPPORTED . . . . . . . 4894 1 1 1 2 30 CYS UNSUPPORTED . . . . . . . 4894 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 MET CA 52.9 . 56.11 2.23 1.5002e-01 4894 1 1 1 1 24 MET CG 16.0 A 32.01 1.24 3.8873e-38 4894 1 1 1 1 24 MET H 8.91 . 8.26 0.6 2.7866e-01 4894 1 1 1 1 24 MET HA 4.72 . 4.41 0.48 5.1839e-01 4894 1 1 1 1 24 MET HB2 1.93 . 2.03 0.34 7.6867e-01 4894 1 1 1 1 24 MET HB3 1.49 . 1.99 0.34 1.4140e-01 4894 1 1 1 1 24 MET HG2 2.48 . 2.42 0.35 8.6389e-01 4894 1 1 1 1 24 MET HG3 2.48 . 2.39 0.38 8.1278e-01 4894 1 1 1 1 24 MET HE1 2.07 . 1.89 0.46 6.9557e-01 4894 1 1 1 1 24 MET HE2 2.07 . 1.89 0.46 6.9557e-01 4894 1 1 1 1 24 MET HE3 2.07 . 1.89 0.46 6.9557e-01 4894 1 1 1 1 24 MET N 117.3 . 120.09 3.57 4.3450e-01 4894 1 1 1 1 38 HIS CA 54.8 . 56.52 2.31 4.5652e-01 4894 1 1 1 1 38 HIS CD2 111.2 A 120.49 3.42 6.6001e-03 4894 1 1 1 1 38 HIS H 7.99 . 8.24 0.68 7.1314e-01 4894 1 1 1 1 38 HIS HD2 7.19 . 7 0.43 6.5859e-01 4894 1 1 1 1 38 HIS N 111.3 . 119.69 4 3.5949e-02 4894 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 MET ALA 0.96 4894 1 1 1 1 24 MET CYS 0.02 4894 1 1 1 1 24 MET ILE 0.01 4894 1 1 1 1 38 HIS HIS 0.99 4894 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4894 _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 4894 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4894 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4894 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4894 _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_