data_AVS_bmrb_pdb_report_10286 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10286 _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 63 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB3" 0.9958 10286 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 63 ARG C 178.189 . 176.49 2.16 4.3153e-01 10286 1 1 1 1 63 ARG CA 59.219 . 56.95 2.41 3.4645e-01 10286 1 1 1 1 63 ARG CB 29.077 . 30.66 1.77 3.7113e-01 10286 1 1 1 1 63 ARG CG 27.325 . 27.31 1.65 9.9275e-01 10286 1 1 1 1 63 ARG CD 43.323 . 43.1 1.1 8.3935e-01 10286 1 1 1 1 63 ARG H 7.816 . 8.24 0.6 4.7977e-01 10286 1 1 1 1 63 ARG HA 3.544 . 4.27 0.44 9.8943e-02 10286 1 1 1 1 63 ARG HB2 0.481 S 1.79 0.28 2.9395e-06 10286 1 1 1 1 63 ARG HB3 0.889 . 1.78 0.28 1.4619e-03 10286 1 1 1 1 63 ARG HG2 0.126 S 1.58 0.27 7.2370e-08 10286 1 1 1 1 63 ARG HG3 0.475 S 1.58 0.27 4.2658e-05 10286 1 1 1 1 63 ARG HD2 1.513 S 3.13 0.23 2.0589e-12 10286 1 1 1 1 63 ARG HD3 0.733 A 3.13 0.22 1.2116e-27 10286 1 1 1 1 63 ARG N 124.207 . 120.61 3.9 3.5637e-01 10286 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 63 ARG ARG 0.43 10286 1 1 1 1 63 ARG CYS 0.36 10286 1 1 1 1 63 ARG GLY 0.08 10286 1 1 1 1 63 ARG LYS 0.07 10286 1 1 1 1 63 ARG LEU 0.04 10286 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10286 _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 10286 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10286 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10286 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10286 _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_