data_AVS_bmrb_pdb_report_19739 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19739 _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 26 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 19739 1 1 1 1 34 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD21 > HA" 0.9966 19739 1 1 1 1 34 ASN . . . . . . "HD22 > HA" 0.9966 19739 1 1 1 1 51 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 19739 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 26 PRO CB 34.657 . 31.85 1.18 1.7368e-02 19739 1 1 1 1 26 PRO HB2 0.637 S 2.08 0.35 3.7420e-05 19739 1 1 1 1 26 PRO HB3 1.214 . 2 0.36 2.9011e-02 19739 1 1 1 1 26 PRO HD2 -0.043 A 3.65 0.35 5.0031e-26 19739 1 1 1 1 34 ASN CA 53.941 . 53.54 1.88 8.3109e-01 19739 1 1 1 1 34 ASN H 8.913 . 8.34 0.63 3.6307e-01 19739 1 1 1 1 34 ASN HA 4.777 . 4.67 0.36 7.6630e-01 19739 1 1 1 1 34 ASN HB2 1.973 . 2.81 0.31 6.9339e-03 19739 1 1 1 1 34 ASN HD21 3.019 A 7.35 0.48 1.8315e-19 19739 1 1 1 1 34 ASN HD22 3.019 A 7.14 0.49 4.0930e-17 19739 1 1 1 1 34 ASN N 123.2 . 118.93 4.03 2.8935e-01 19739 1 1 1 1 51 PRO CA 64.324 . 63.33 1.52 5.1315e-01 19739 1 1 1 1 51 PRO CB 32.1 . 31.85 1.18 8.3221e-01 19739 1 1 1 1 51 PRO HA 4.36 . 4.4 0.33 9.0352e-01 19739 1 1 1 1 51 PRO HB2 2.244 . 2.08 0.35 6.3938e-01 19739 1 1 1 1 51 PRO HB3 1.909 . 2 0.36 8.0044e-01 19739 1 1 1 1 51 PRO HD2 7.077 A 3.65 0.35 1.2255e-22 19739 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 26 PRO CYS 0.27 19739 1 1 1 1 26 PRO MET 0.17 19739 1 1 1 1 26 PRO GLN 0.16 19739 1 1 1 1 26 PRO LYS 0.11 19739 1 1 1 1 26 PRO VAL 0.1 19739 1 1 1 1 26 PRO GLU 0.08 19739 1 1 1 1 26 PRO ILE 0.01 19739 1 1 1 1 26 PRO HIS 0.01 19739 1 1 1 1 26 PRO TYR 0.01 19739 1 1 1 1 26 PRO ARG 0.01 19739 1 1 1 1 34 ASN ASN 0.18 19739 1 1 1 1 34 ASN ASP 0.15 19739 1 1 1 1 34 ASN ALA 0.15 19739 1 1 1 1 34 ASN LEU 0.09 19739 1 1 1 1 34 ASN MET 0.07 19739 1 1 1 1 34 ASN HIS 0.05 19739 1 1 1 1 34 ASN ARG 0.04 19739 1 1 1 1 34 ASN GLN 0.04 19739 1 1 1 1 34 ASN CYS 0.04 19739 1 1 1 1 34 ASN LYS 0.03 19739 1 1 1 1 34 ASN TRP 0.03 19739 1 1 1 1 34 ASN PHE 0.02 19739 1 1 1 1 34 ASN GLU 0.02 19739 1 1 1 1 34 ASN TYR 0.02 19739 1 1 1 1 51 PRO PRO 0.43 19739 1 1 1 1 51 PRO VAL 0.42 19739 1 1 1 1 51 PRO CYS 0.1 19739 1 1 1 1 51 PRO TRP 0.01 19739 1 1 1 1 51 PRO ILE 0.01 19739 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19739 _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 19739 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19739 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19739 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19739 _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_