data_AVS_bmrb_pdb_report_25568 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25568 _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 25 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 25568 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 25 ARG C 175.662 . 176.41 2.03 7.1252e-01 25568 1 1 1 1 25 ARG CA 57.542 . 56.77 2.31 7.3823e-01 25568 1 1 1 1 25 ARG CB 30.592 . 30.7 1.83 9.5294e-01 25568 1 1 1 1 25 ARG CG 25.799 . 27.21 1.2 2.3966e-01 25568 1 1 1 1 25 ARG CD 42.594 . 43.16 0.88 5.2011e-01 25568 1 1 1 1 25 ARG H 7.499 . 8.24 0.61 2.2446e-01 25568 1 1 1 1 25 ARG HA 3.867 . 4.3 0.46 3.4655e-01 25568 1 1 1 1 25 ARG HB2 1.249 . 1.79 0.27 4.5102e-02 25568 1 1 1 1 25 ARG HB3 0.692 S 1.76 0.28 1.3658e-04 25568 1 1 1 1 25 ARG HG2 0.209 S 1.57 0.27 4.6373e-07 25568 1 1 1 1 25 ARG HG3 0.447 S 1.54 0.29 1.6393e-04 25568 1 1 1 1 25 ARG HD2 2.546 . 3.12 0.24 1.6772e-02 25568 1 1 1 1 25 ARG HD3 2.333 . 3.1 0.26 3.1777e-03 25568 1 1 1 1 25 ARG HE 6.567 . 7.4 0.63 1.8609e-01 25568 1 1 1 1 25 ARG N 120.375 . 120.8 3.68 9.0806e-01 25568 1 1 1 1 25 ARG NE 110.875 A 84.63 1.68 5.1543e-55 25568 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 25 ARG CYS 0.4 25568 1 1 1 1 25 ARG ARG 0.32 25568 1 1 1 1 25 ARG LYS 0.24 25568 1 1 1 1 25 ARG GLY 0.01 25568 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25568 _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 25568 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25568 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25568 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25568 _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_