data_AVS_bmrb_pdb_report_19941 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19941 _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 34 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19941 1 1 1 1 36 HIS Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 19941 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 34 HIS C 175.1860 . 175.25 1.97 9.7408e-01 19941 1 1 1 1 34 HIS CA 56.7560 . 56.52 2.31 9.1863e-01 19941 1 1 1 1 34 HIS CB 30.1870 . 30.24 2.07 9.7957e-01 19941 1 1 1 1 34 HIS CD2 122.058 . 120.49 3.42 6.4661e-01 19941 1 1 1 1 34 HIS CE1 139.917 . 137.71 2.12 2.9786e-01 19941 1 1 1 1 34 HIS H 8.0670 . 8.24 0.68 7.9918e-01 19941 1 1 1 1 34 HIS HA 4.5230 . 4.61 0.43 8.3966e-01 19941 1 1 1 1 34 HIS HB2 2.5640 . 3.1 0.36 1.3652e-01 19941 1 1 1 1 34 HIS HD1 1.4170 A 8.68 2.62 5.5690e-03 19941 1 1 1 1 34 HIS HE1 6.9373 . 7.95 0.48 3.4876e-02 19941 1 1 1 1 34 HIS HE2 1.5870 A 9.64 2.6 1.9529e-03 19941 1 1 1 1 34 HIS N 117.5400 . 119.69 4 5.9092e-01 19941 1 1 1 1 36 HIS C 174.9460 . 175.25 1.97 8.7736e-01 19941 1 1 1 1 36 HIS CA 56.2030 . 56.52 2.31 8.9085e-01 19941 1 1 1 1 36 HIS CB 30.3050 . 30.24 2.07 9.7495e-01 19941 1 1 1 1 36 HIS CD2 125.254 . 120.49 3.42 1.6362e-01 19941 1 1 1 1 36 HIS CE1 140.7063 . 137.71 2.12 1.5755e-01 19941 1 1 1 1 36 HIS HA 4.5630 . 4.61 0.43 9.1296e-01 19941 1 1 1 1 36 HIS HB2 3.1240 . 3.1 0.36 9.4685e-01 19941 1 1 1 1 36 HIS HD1 0.6210 A 8.68 2.62 2.0983e-03 19941 1 1 1 1 36 HIS HE1 6.9777 . 7.95 0.48 4.2803e-02 19941 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 34 HIS HIS 0.99 19941 1 1 1 1 36 HIS HIS 0.99 19941 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19941 _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 19941 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19941 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19941 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19941 _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_