data_AVS_bmrb_pdb_report_1170 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 1170 _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 1 AAC UNSUPPORTED . . . . . . . 1170 1 1 1 1 18 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 1170 1 1 1 1 29 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 1170 1 1 1 1 80 MET Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HG2" 0.9982 1170 1 1 1 2 1 HEC UNSUPPORTED . . . . . . . 1170 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 18 HIS H 6.38 . 8.24 0.68 6.2325e-03 1170 1 1 1 1 18 HIS HA 3.68 . 4.61 0.43 3.0557e-02 1170 1 1 1 1 18 HIS HB2 .8 S 3.1 0.36 1.6710e-10 1170 1 1 1 1 18 HIS HB3 1.1 S 3.04 0.38 3.3033e-07 1170 1 1 1 1 18 HIS HD1 9.63 . 8.68 2.62 7.1691e-01 1170 1 1 1 1 18 HIS HD2 .52 A 7 0.43 2.5601e-51 1170 1 1 1 1 18 HIS HE1 .13 A 7.95 0.48 1.1310e-59 1170 1 1 1 1 29 GLY H 7.42 . 8.33 0.65 1.6151e-01 1170 1 1 1 1 29 GLY HA2 .17 A 3.97 0.37 9.5936e-25 1170 1 1 1 1 29 GLY HA3 3.72 . 3.9 0.37 6.2662e-01 1170 1 1 1 1 80 MET H 7.12 . 8.26 0.6 5.7433e-02 1170 1 1 1 1 80 MET HA 3.11 . 4.41 0.48 6.7622e-03 1170 1 1 1 1 80 MET HB2 2.62 . 2.03 0.34 8.2689e-02 1170 1 1 1 1 80 MET HB3 .2 S 1.99 0.34 1.4041e-07 1170 1 1 1 1 80 MET HG2 3.74 S 2.42 0.35 1.6232e-04 1170 1 1 1 1 80 MET HG3 1.88 . 2.39 0.38 1.7956e-01 1170 1 1 1 1 80 MET HE1 -3.27 A 1.89 0.46 3.3501e-29 1170 1 1 1 1 80 MET HE2 -3.27 A 1.89 0.46 3.3501e-29 1170 1 1 1 1 80 MET HE3 -3.27 A 1.89 0.46 3.3501e-29 1170 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 1170 _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 1170 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 1170 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 1170 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 1170 _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_