data_AVS_bmrb_pdb_report_25760 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25760 _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 76 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 25760 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 76 ARG CA 53.132 . 56.77 2.31 1.1528e-01 25760 1 1 1 1 76 ARG CB 29.524 . 30.7 1.83 5.2047e-01 25760 1 1 1 1 76 ARG CG 24.557 . 27.21 1.2 2.7047e-02 25760 1 1 1 1 76 ARG CD 40.978 . 43.16 0.88 1.3155e-02 25760 1 1 1 1 76 ARG H 8.860 . 8.24 0.61 3.0944e-01 25760 1 1 1 1 76 ARG HA 4.750 . 4.3 0.46 3.2795e-01 25760 1 1 1 1 76 ARG HB2 1.817 . 1.79 0.27 9.2034e-01 25760 1 1 1 1 76 ARG HB3 1.581 . 1.76 0.28 5.2264e-01 25760 1 1 1 1 76 ARG HG2 1.313 . 1.57 0.27 3.4117e-01 25760 1 1 1 1 76 ARG HG3 1.442 . 1.54 0.29 7.3541e-01 25760 1 1 1 1 76 ARG HD2 2.874 . 3.12 0.24 3.0536e-01 25760 1 1 1 1 76 ARG HD3 2.816 . 3.1 0.26 2.7470e-01 25760 1 1 1 1 76 ARG HE 8.715 . 7.4 0.63 3.6861e-02 25760 1 1 1 1 76 ARG HH21 8.427 S 6.81 0.48 7.5510e-04 25760 1 1 1 1 76 ARG HH22 8.279 S 6.76 0.36 2.4491e-05 25760 1 1 1 1 76 ARG N 121.619 . 120.8 3.68 8.2388e-01 25760 1 1 1 1 76 ARG NE 87.287 . 84.63 1.68 1.1375e-01 25760 1 1 1 1 76 ARG NH2 70.072 A 73.26 3.32 3.3693e-01 25760 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 76 ARG LYS 0.75 25760 1 1 1 1 76 ARG LEU 0.2 25760 1 1 1 1 76 ARG ALA 0.02 25760 1 1 1 1 76 ARG ARG 0.01 25760 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25760 _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 25760 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25760 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25760 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25760 _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_