data_AVS_bmrb_pdb_report_16042 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16042 _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 78 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 16042 1 1 1 1 78 ARG . . . . . . "HD3 > HB3" 0.9958 16042 1 1 1 1 78 ARG . . . . . . "HD3 > HG2" 0.9974 16042 1 1 1 1 78 ARG . . . . . . "HD3 > HG3" 0.9982 16042 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 78 ARG CA 55.758 . 56.95 2.41 6.2088e-01 16042 1 1 1 1 78 ARG CB 30.745 . 30.66 1.77 9.6170e-01 16042 1 1 1 1 78 ARG CD 42.387 . 43.1 1.1 5.1687e-01 16042 1 1 1 1 78 ARG H 7.388 . 8.24 0.6 1.5561e-01 16042 1 1 1 1 78 ARG HA 4.120 . 4.27 0.44 7.3317e-01 16042 1 1 1 1 78 ARG HB2 1.164 . 1.79 0.28 2.5370e-02 16042 1 1 1 1 78 ARG HB3 0.500 S 1.78 0.28 4.8441e-06 16042 1 1 1 1 78 ARG HG2 0.950 . 1.58 0.27 1.9631e-02 16042 1 1 1 1 78 ARG HG3 0.730 . 1.58 0.27 1.6431e-03 16042 1 1 1 1 78 ARG HD2 2.340 S 3.13 0.23 5.9303e-04 16042 1 1 1 1 78 ARG HD3 0.230 A 3.13 0.22 1.1167e-39 16042 1 1 1 1 78 ARG HE 9.450 S 7.32 0.52 4.2007e-05 16042 1 1 1 1 78 ARG HH21 6.070 . 6.72 0.32 4.2230e-02 16042 1 1 1 1 78 ARG HH22 6.070 . 6.72 0.33 4.8873e-02 16042 1 1 1 1 78 ARG N 117.149 . 120.61 3.9 3.7484e-01 16042 1 1 1 1 78 ARG NE 90.432 . 89.8 12.83 9.6071e-01 16042 1 1 1 1 78 ARG NH2 72.800 . 75.84 11.44 7.9044e-01 16042 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 78 ARG ARG 0.37 16042 1 1 1 1 78 ARG CYS 0.33 16042 1 1 1 1 78 ARG LYS 0.25 16042 1 1 1 1 78 ARG GLY 0.01 16042 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16042 _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 16042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16042 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16042 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16042 _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_