data_AVS_bmrb_pdb_report_19259 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19259 _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 4 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19259 1 1 1 1 30 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19259 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 4 HIS C 175.449 . 175.25 1.97 9.1954e-01 19259 1 1 1 1 4 HIS CA 56.614 . 56.52 2.31 9.6754e-01 19259 1 1 1 1 4 HIS CB 30.860 . 30.24 2.07 7.6455e-01 19259 1 1 1 1 4 HIS CG 119.779 A 131.52 3.27 3.3002e-04 19259 1 1 1 1 4 HIS CE1 138.678 . 137.71 2.12 6.4796e-01 19259 1 1 1 1 4 HIS H 8.307 . 8.24 0.68 9.2151e-01 19259 1 1 1 1 4 HIS HA 4.632 . 4.61 0.43 9.5920e-01 19259 1 1 1 1 4 HIS HB2 3.133 . 3.1 0.36 9.2696e-01 19259 1 1 1 1 4 HIS HB3 3.133 . 3.04 0.38 8.0666e-01 19259 1 1 1 1 4 HIS HD2 7.033 . 7 0.43 9.3883e-01 19259 1 1 1 1 4 HIS HE1 7.833 . 7.95 0.48 8.0742e-01 19259 1 1 1 1 4 HIS N 120.262 . 119.69 4 8.8629e-01 19259 1 1 1 1 30 ASN C 174.664 . 175.27 1.79 7.3495e-01 19259 1 1 1 1 30 ASN CA 50.619 . 53.54 1.88 1.2025e-01 19259 1 1 1 1 30 ASN CB 38.173 . 38.69 1.69 7.5967e-01 19259 1 1 1 1 30 ASN H 8.122 . 8.34 0.63 7.2932e-01 19259 1 1 1 1 30 ASN HA 4.446 . 4.67 0.36 5.3380e-01 19259 1 1 1 1 30 ASN HB2 2.007 . 2.81 0.31 9.5886e-03 19259 1 1 1 1 30 ASN HB3 -0.624 A 2.75 0.33 1.5443e-24 19259 1 1 1 1 30 ASN N 128.963 . 118.93 4.03 1.2789e-02 19259 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 4 HIS TRP 0.98 19259 1 1 1 1 4 HIS HIS 0.01 19259 1 1 1 1 30 ASN ASN 0.81 19259 1 1 1 1 30 ASN ASP 0.09 19259 1 1 1 1 30 ASN PHE 0.02 19259 1 1 1 1 30 ASN TYR 0.02 19259 1 1 1 1 30 ASN LEU 0.01 19259 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19259 _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 19259 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19259 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19259 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19259 _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_