data_AVS_bmrb_pdb_report_16606 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16606 _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 PHE Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 16606 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 PHE C 173.280 D 175.49 2.13 2.9948e-01 16606 1 1 1 1 75 PHE CA 55.947 D 58.25 2.73 3.9890e-01 16606 1 1 1 1 75 PHE CB 39.619 D 39.95 2.04 8.7111e-01 16606 1 1 1 1 75 PHE CD1 131.273 D 131.38 1.38 9.3820e-01 16606 1 1 1 1 75 PHE CE1 129.201 D 130.48 1.29 3.2145e-01 16606 1 1 1 1 75 PHE CZ 129.082 D 129.11 1.68 9.8670e-01 16606 1 1 1 1 75 PHE H 9.055 D 8.42 0.74 3.9083e-01 16606 1 1 1 1 75 PHE HA 4.689 D 4.62 0.58 9.0530e-01 16606 1 1 1 1 75 PHE HB2 0.159 A 2.99 0.37 1.9888e-14 16606 1 1 1 1 75 PHE HB3 1.321 S 2.97 0.38 1.4282e-05 16606 1 1 1 1 75 PHE HD1 6.095 D 6.91 0.82 3.2027e-01 16606 1 1 1 1 75 PHE HD2 6.095 D 6.89 0.86 3.5527e-01 16606 1 1 1 1 75 PHE HE1 6.326 D 6.95 0.82 4.4667e-01 16606 1 1 1 1 75 PHE HE2 6.326 D 6.94 0.86 4.7526e-01 16606 1 1 1 1 75 PHE HZ 6.571 D 6.92 0.8 6.6266e-01 16606 1 1 1 1 75 PHE N 129.404 D 120.69 4.18 3.7098e-02 16606 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 PHE PHE 0.42 16606 1 1 1 1 75 PHE CYS 0.31 16606 1 1 1 1 75 PHE TYR 0.26 16606 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16606 _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 16606 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16606 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16606 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16606 _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_