data_AVS_bmrb_pdb_report_19953 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19953 _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 75 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19953 1 1 1 1 92 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19953 1 1 1 2 1 IOR UNSUPPORTED . . . . . . . 19953 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 75 GLY C 184.569 A 173.87 1.88 1.2633e-08 19953 1 1 1 1 75 GLY CA 45.160 . 45.35 1.34 8.8725e-01 19953 1 1 1 1 75 GLY H 8.166 . 8.33 0.65 8.0080e-01 19953 1 1 1 1 75 GLY HA2 4.524 . 3.97 0.37 1.3432e-01 19953 1 1 1 1 75 GLY HA3 3.720 . 3.9 0.37 6.2662e-01 19953 1 1 1 1 75 GLY N 110.613 . 109.67 3.87 8.0749e-01 19953 1 1 1 1 92 ASN C 182.065 A 175.27 1.79 1.4700e-04 19953 1 1 1 1 92 ASN CA 53.180 . 53.54 1.88 8.4814e-01 19953 1 1 1 1 92 ASN CB 42.611 . 38.69 1.69 2.0334e-02 19953 1 1 1 1 92 ASN H 8.579 . 8.34 0.63 7.0442e-01 19953 1 1 1 1 92 ASN HA 5.361 . 4.67 0.36 5.4928e-02 19953 1 1 1 1 92 ASN HB2 2.489 . 2.81 0.31 3.0044e-01 19953 1 1 1 1 92 ASN HB3 2.489 . 2.75 0.33 4.2900e-01 19953 1 1 1 1 92 ASN HD21 6.936 . 7.35 0.48 3.8841e-01 19953 1 1 1 1 92 ASN HD22 7.406 . 7.14 0.49 5.8723e-01 19953 1 1 1 1 92 ASN N 122.689 . 118.93 4.03 3.5095e-01 19953 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 75 GLY GLY 0.8 19953 1 1 1 1 75 GLY LEU 0.11 19953 1 1 1 1 75 GLY CYS 0.03 19953 1 1 1 1 75 GLY ARG 0.02 19953 1 1 1 1 75 GLY PHE 0.01 19953 1 1 1 1 92 ASN LEU 0.31 19953 1 1 1 1 92 ASN ASP 0.26 19953 1 1 1 1 92 ASN ARG 0.14 19953 1 1 1 1 92 ASN LYS 0.09 19953 1 1 1 1 92 ASN CYS 0.04 19953 1 1 1 1 92 ASN PHE 0.04 19953 1 1 1 1 92 ASN ASN 0.04 19953 1 1 1 1 92 ASN TYR 0.02 19953 1 1 1 1 92 ASN GLY 0.02 19953 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19953 _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 19953 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19953 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19953 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19953 _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_