data_AVS_bmrb_pdb_report_2059 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 2059 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 2059 1 1 1 1 83 PHE Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HZ > HA" 0.9931 2059 1 1 1 1 83 PHE . . . . . . "HZ > HB2" 0.9986 2059 1 1 1 1 83 PHE . . . . . . "HZ > HB3" 0.9986 2059 1 1 1 1 95 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 2059 1 1 1 1 83 PHE H 8.08 . 8.42 0.74 6.4590e-01 2059 1 1 1 1 83 PHE HA 4.29 . 4.62 0.58 5.6938e-01 2059 1 1 1 1 83 PHE HB2 2.88 . 2.99 0.37 7.6624e-01 2059 1 1 1 1 83 PHE HB3 2.72 . 2.97 0.38 5.1061e-01 2059 1 1 1 1 83 PHE HD1 6.56 . 6.91 0.82 6.6950e-01 2059 1 1 1 1 83 PHE HD2 7.59 . 6.89 0.86 4.1567e-01 2059 1 1 1 1 83 PHE HE1 6.84 . 6.95 0.82 8.9329e-01 2059 1 1 1 1 83 PHE HE2 7.24 . 6.94 0.86 7.2721e-01 2059 1 1 1 1 83 PHE HZ -7.14 M 6.92 0.8 3.8289e-69 2059 1 1 1 1 95 PRO HA 4.13 . 4.41 0.36 4.3670e-01 2059 1 1 1 1 95 PRO HB2 1.82 . 2.05 0.39 5.5536e-01 2059 1 1 1 1 95 PRO HB3 1.82 . 2.05 0.39 5.5536e-01 2059 1 1 1 1 95 PRO HD2 4.63 M 3.64 0.36 5.9595e-03 2059 1 1 1 1 95 PRO HD3 3.67 . 3.63 0.4 9.2034e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 2059 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 2059 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 2059 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 2059 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 2059 _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_