data_AVS_bmrb_pdb_report_25402 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25402 _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 70 PHE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 25402 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 70 PHE C 175.757 . 175.42 1.99 8.6552e-01 25402 1 1 1 1 70 PHE CA 58.567 . 58.08 2.57 8.4971e-01 25402 1 1 1 1 70 PHE CB 39.340 . 39.99 2.09 7.5580e-01 25402 1 1 1 1 70 PHE CD1 137.237 A 131.58 1.18 1.6343e-06 25402 1 1 1 1 70 PHE CD2 137.237 S 131.63 1.12 5.5501e-07 25402 1 1 1 1 70 PHE CE1 132.502 . 130.71 1.3 1.6806e-01 25402 1 1 1 1 70 PHE CE2 132.502 . 130.76 1.13 1.2317e-01 25402 1 1 1 1 70 PHE CZ 130.450 . 129.21 1.43 3.8587e-01 25402 1 1 1 1 70 PHE H 7.046 . 8.36 0.72 6.8001e-02 25402 1 1 1 1 70 PHE HA 4.464 . 4.63 0.57 7.7088e-01 25402 1 1 1 1 70 PHE HB2 3.119 . 3 0.37 7.4774e-01 25402 1 1 1 1 70 PHE HB3 2.639 . 2.93 0.4 4.6692e-01 25402 1 1 1 1 70 PHE HD1 6.059 . 7.06 0.31 1.2421e-03 25402 1 1 1 1 70 PHE HD2 6.059 . 7.06 0.31 1.2421e-03 25402 1 1 1 1 70 PHE HE1 7.108 . 7.08 0.31 9.2803e-01 25402 1 1 1 1 70 PHE HE2 7.108 . 7.08 0.32 9.3027e-01 25402 1 1 1 1 70 PHE HZ 6.781 . 7 0.42 6.0207e-01 25402 1 1 1 1 70 PHE N 119.046 . 120.45 4.18 7.3696e-01 25402 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 70 PHE CYS 0.99 25402 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25402 _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 25402 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25402 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25402 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25402 _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_