data_AVS_bmrb_pdb_report_30205 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30205 _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 52 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 30205 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 52 PHE C 175.647 . 175.42 1.99 9.0918e-01 30205 1 1 1 1 52 PHE CA 61.826 . 58.08 2.57 1.4495e-01 30205 1 1 1 1 52 PHE CB 40.377 . 39.99 2.09 8.5310e-01 30205 1 1 1 1 52 PHE CD1 131.980 . 131.58 1.18 7.3462e-01 30205 1 1 1 1 52 PHE CE1 129.419 . 130.71 1.3 3.2067e-01 30205 1 1 1 1 52 PHE CZ 127.534 . 129.21 1.43 2.4119e-01 30205 1 1 1 1 52 PHE H 8.480 . 8.36 0.72 8.6763e-01 30205 1 1 1 1 52 PHE HA 2.870 . 4.63 0.57 2.0170e-03 30205 1 1 1 1 52 PHE HB2 1.513 S 3 0.37 5.8466e-05 30205 1 1 1 1 52 PHE HB3 2.027 . 2.93 0.4 2.3977e-02 30205 1 1 1 1 52 PHE HD1 4.469 A 7.06 0.31 6.3756e-17 30205 1 1 1 1 52 PHE HD2 4.469 A 7.06 0.31 6.3756e-17 30205 1 1 1 1 52 PHE HE1 6.287 . 7.08 0.31 1.0526e-02 30205 1 1 1 1 52 PHE HE2 6.287 . 7.08 0.32 1.3207e-02 30205 1 1 1 1 52 PHE HZ 6.362 . 7 0.42 1.2875e-01 30205 1 1 1 1 52 PHE N 125.857 . 120.45 4.18 1.9582e-01 30205 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 52 PHE PHE 0.83 30205 1 1 1 1 52 PHE TYR 0.16 30205 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30205 _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 30205 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30205 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30205 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30205 _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_