data_AVS_bmrb_pdb_report_16248 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16248 _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 27 TPO UNSUPPORTED . . . . . . .16248 1 1 1 1 103 HIS Anomalous Suspicious Suspicious Consistent Suspicious Anomalous "CE1 > CD2" 0.9917 16248 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 1 103 HIS C 173.551 . 175.19 2.14 4.4374e-01 16248 1 1 1 1 103 HIS CA 58.095 . 56.37 2.4 4.7230e-01 16248 1 1 1 1 103 HIS CB 34.645 . 29.95 2.15 2.8983e-02 16248 1 1 1 1 103 HIS CD2 130.057 . 119.84 3.3 1.9611e-03 16248 1 1 1 1 103 HIS CE1 117.399 S 136.05 3.58 1.8907e-07 16248 1 1 1 1 103 HIS H 7.587 . 8.25 0.74 3.7028e-01 16248 1 1 1 1 103 HIS HA 4.418 . 4.62 0.51 6.9205e-01 16248 1 1 1 1 103 HIS HB2 3.252 . 3.12 0.43 7.5886e-01 16248 1 1 1 1 103 HIS HB3 3.179 . 3.11 0.45 8.7814e-01 16248 1 1 1 1 103 HIS HD1 10.86 . 10.14 3.5 8.3701e-01 16248 1 1 1 1 103 HIS HD2 6.786 . 7.08 0.5 5.5653e-01 16248 1 1 1 1 103 HIS HE1 6.747 . 8.08 0.57 1.9356e-02 16248 1 1 1 1 103 HIS N 124.084 . 119.44 4.52 3.0422e-01 16248 1 1 1 1 103 HIS ND1 106.214 A 190.74 22.84 2.1493e-04 16248 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 1 103 HIS TYR 0.99 16248 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16248 _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 16248 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16248 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16248 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16248 _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_