data_AVS_bmrb_pdb_report_16841 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16841 _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 1 120 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16841 1 1 1 1 123 ASN Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 16841 1 1 1 2 1 NAG UNSUPPORTED . . . . . . . 16841 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 1 120 PHE CA 55.46 . 58.25 2.73 3.0679e-01 16841 1 1 1 1 120 PHE CB 41.49 . 39.95 2.04 4.5031e-01 16841 1 1 1 1 120 PHE H 8.70 . 8.42 0.74 7.0515e-01 16841 1 1 1 1 120 PHE HA 5.88 . 4.62 0.58 2.9824e-02 16841 1 1 1 1 120 PHE HB2 3.18 . 2.99 0.37 6.0759e-01 16841 1 1 1 1 120 PHE HB3 4.14 A 2.97 0.38 2.0773e-03 16841 1 1 1 1 120 PHE N 115.78 . 120.69 4.18 2.4014e-01 16841 1 1 1 1 123 ASN CA 53.24 . 53.43 1.94 9.2198e-01 16841 1 1 1 1 123 ASN CB 36.40 . 38.66 1.78 2.0420e-01 16841 1 1 1 1 123 ASN H 11.94 S 8.37 0.65 3.9672e-08 16841 1 1 1 1 123 ASN HA 4.23 . 4.7 0.39 2.2815e-01 16841 1 1 1 1 123 ASN HB2 2.09 . 2.8 0.34 3.6777e-02 16841 1 1 1 1 123 ASN HB3 2.92 . 2.78 0.34 6.8051e-01 16841 1 1 1 1 123 ASN N 135.57 A 119.13 4.42 1.9965e-04 16841 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 1 120 PHE LEU 0.2 16841 1 1 1 1 120 PHE ASP 0.18 16841 1 1 1 1 120 PHE LYS 0.18 16841 1 1 1 1 120 PHE CYS 0.11 16841 1 1 1 1 120 PHE PHE 0.1 16841 1 1 1 1 120 PHE TYR 0.08 16841 1 1 1 1 120 PHE ARG 0.06 16841 1 1 1 1 120 PHE ASN 0.03 16841 1 1 1 1 123 ASN CYS 0.31 16841 1 1 1 1 123 ASN ASN 0.31 16841 1 1 1 1 123 ASN GLU 0.1 16841 1 1 1 1 123 ASN MET 0.09 16841 1 1 1 1 123 ASN TYR 0.06 16841 1 1 1 1 123 ASN LYS 0.03 16841 1 1 1 1 123 ASN PHE 0.02 16841 1 1 1 1 123 ASN ASP 0.02 16841 1 1 1 1 123 ASN GLN 0.01 16841 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16841 _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 16841 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16841 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16841 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16841 _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_