data_AVS_bmrb_pdb_report_11155 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11155 _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 58 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB3" 1.0000 11155 1 1 1 1 64 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11155 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 58 ASN C 174.076 . 175.16 1.76 5.3795e-01 11155 1 1 1 1 58 ASN CA 53.925 . 53.43 1.94 7.9860e-01 11155 1 1 1 1 58 ASN CB 36.119 . 38.66 1.78 1.5343e-01 11155 1 1 1 1 58 ASN H 6.549 . 8.37 0.65 5.0860e-03 11155 1 1 1 1 58 ASN HA 2.710 A 4.7 0.39 3.3508e-07 11155 1 1 1 1 58 ASN HB2 2.395 . 2.8 0.34 2.3358e-01 11155 1 1 1 1 58 ASN HB3 2.783 . 2.78 0.34 9.9296e-01 11155 1 1 1 1 58 ASN HD21 7.451 . 7.27 0.52 7.2778e-01 11155 1 1 1 1 58 ASN HD22 6.815 . 7.2 0.52 4.5907e-01 11155 1 1 1 1 58 ASN N 122.319 . 119.13 4.42 4.7061e-01 11155 1 1 1 1 58 ASN ND2 110.741 . 112.83 2.6 4.2171e-01 11155 1 1 1 1 64 PHE C 170.518 . 175.49 2.13 1.9581e-02 11155 1 1 1 1 64 PHE CA 56.256 . 58.25 2.73 4.6514e-01 11155 1 1 1 1 64 PHE CB 38.324 . 39.95 2.04 4.2542e-01 11155 1 1 1 1 64 PHE CD1 134.017 A 131.38 1.38 5.6021e-02 11155 1 1 1 1 64 PHE CD2 134.017 . 131.33 1.48 6.9441e-02 11155 1 1 1 1 64 PHE CE1 130.080 . 130.48 1.29 7.5650e-01 11155 1 1 1 1 64 PHE CE2 130.080 . 130.6 0.97 5.9190e-01 11155 1 1 1 1 64 PHE CZ 128.259 . 129.11 1.68 6.1247e-01 11155 1 1 1 1 64 PHE H 8.998 . 8.42 0.74 4.3476e-01 11155 1 1 1 1 64 PHE HA 4.848 . 4.62 0.58 6.9424e-01 11155 1 1 1 1 64 PHE HB2 3.430 . 2.99 0.37 2.3437e-01 11155 1 1 1 1 64 PHE HB3 2.508 . 2.97 0.38 2.2406e-01 11155 1 1 1 1 64 PHE HD1 7.037 . 6.91 0.82 8.7692e-01 11155 1 1 1 1 64 PHE HD2 7.037 . 6.89 0.86 8.6428e-01 11155 1 1 1 1 64 PHE HE1 6.936 . 6.95 0.82 9.8638e-01 11155 1 1 1 1 64 PHE HE2 6.936 . 6.94 0.86 9.9629e-01 11155 1 1 1 1 64 PHE HZ 6.971 . 6.92 0.8 9.4917e-01 11155 1 1 1 1 64 PHE N 114.467 . 120.69 4.18 1.3655e-01 11155 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 58 ASN ASN 0.28 11155 1 1 1 1 58 ASN GLU 0.23 11155 1 1 1 1 58 ASN MET 0.18 11155 1 1 1 1 58 ASN TYR 0.09 11155 1 1 1 1 58 ASN LYS 0.07 11155 1 1 1 1 58 ASN PHE 0.04 11155 1 1 1 1 58 ASN GLN 0.03 11155 1 1 1 1 58 ASN ASP 0.01 11155 1 1 1 1 64 PHE PHE 0.97 11155 1 1 1 1 64 PHE TYR 0.02 11155 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11155 _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 11155 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11155 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11155 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11155 _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_