data_AVS_bmrb_pdb_report_16377 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16377 _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 42 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 16377 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 42 ARG C 178.8 . 176.49 2.16 2.8487e-01 16377 1 1 1 1 42 ARG CA 58.2 . 56.95 2.41 6.0399e-01 16377 1 1 1 1 42 ARG CB 29.6 . 30.66 1.77 5.4926e-01 16377 1 1 1 1 42 ARG CG 27.0 . 27.31 1.65 8.5097e-01 16377 1 1 1 1 42 ARG CD 42.2 . 43.1 1.1 4.1325e-01 16377 1 1 1 1 42 ARG H 8.65 . 8.24 0.6 4.9440e-01 16377 1 1 1 1 42 ARG HA 1.87 A 4.27 0.44 4.9098e-08 16377 1 1 1 1 42 ARG HB2 1.33 . 1.79 0.28 1.0041e-01 16377 1 1 1 1 42 ARG HB3 1.22 . 1.78 0.28 4.5500e-02 16377 1 1 1 1 42 ARG HG2 0.81 . 1.58 0.27 4.3465e-03 16377 1 1 1 1 42 ARG HG3 0.52 S 1.58 0.27 8.6397e-05 16377 1 1 1 1 42 ARG HD2 2.25 S 3.13 0.23 1.3020e-04 16377 1 1 1 1 42 ARG HD3 2.25 S 3.13 0.22 6.3342e-05 16377 1 1 1 1 42 ARG HE 6.94 . 7.32 0.52 4.6492e-01 16377 1 1 1 1 42 ARG N 124.0 . 120.61 3.9 3.8472e-01 16377 1 1 1 1 42 ARG NE 85.9 . 89.8 12.83 7.6115e-01 16377 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 42 ARG ARG 0.38 16377 1 1 1 1 42 ARG CYS 0.34 16377 1 1 1 1 42 ARG LYS 0.21 16377 1 1 1 1 42 ARG LEU 0.03 16377 1 1 1 1 42 ARG GLY 0.01 16377 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16377 _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 16377 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16377 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16377 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16377 _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_