data_AVS_bmrb_pdb_report_16379 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16379 _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 8 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 16379 1 1 1 1 8 ARG . . . . . . "HD3 > HB2" 0.9950 16379 1 1 1 1 8 ARG . . . . . . "HD2 > HB3" 0.9951 16379 1 1 1 1 8 ARG . . . . . . "HD3 > HB3" 0.9958 16379 1 1 1 1 62 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16379 1 1 1 1 147 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16379 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 8 ARG C 174.801 . 176.49 2.16 4.3425e-01 16379 1 1 1 1 8 ARG CA 55.9 . 56.95 2.41 6.6307e-01 16379 1 1 1 1 8 ARG CB 31.27 . 30.66 1.77 7.3037e-01 16379 1 1 1 1 8 ARG CG 25.66 . 27.31 1.65 3.1731e-01 16379 1 1 1 1 8 ARG CD 43.49 . 43.1 1.1 7.2293e-01 16379 1 1 1 1 8 ARG H 6.187 S 8.24 0.6 6.2239e-04 16379 1 1 1 1 8 ARG HA 3.99 . 4.27 0.44 5.2454e-01 16379 1 1 1 1 8 ARG HB2 1.865 . 1.79 0.28 7.8881e-01 16379 1 1 1 1 8 ARG HB3 1.476 . 1.78 0.28 2.7761e-01 16379 1 1 1 1 8 ARG HG2 0.887 . 1.58 0.27 1.0268e-02 16379 1 1 1 1 8 ARG HG3 0.887 . 1.58 0.27 1.0268e-02 16379 1 1 1 1 8 ARG HD2 1.093 A 3.13 0.23 8.2550e-19 16379 1 1 1 1 8 ARG HD3 1.093 A 3.13 0.22 2.0618e-20 16379 1 1 1 1 8 ARG N 108.4 . 120.61 3.9 1.7435e-03 16379 1 1 1 1 62 VAL C 173.929 . 175.69 2.03 3.8568e-01 16379 1 1 1 1 62 VAL CA 58.65 . 62.48 3.04 2.0772e-01 16379 1 1 1 1 62 VAL CB 37.26 . 32.66 1.91 1.6024e-02 16379 1 1 1 1 62 VAL CG1 22.11 . 21.38 1.53 6.3327e-01 16379 1 1 1 1 62 VAL CG2 17.76 . 21.31 1.76 4.3691e-02 16379 1 1 1 1 62 VAL H 9.968 . 8.29 0.71 1.8109e-02 16379 1 1 1 1 62 VAL HA 6.154 A 4.16 0.57 4.6833e-04 16379 1 1 1 1 62 VAL HB 2.287 . 1.99 0.33 3.6812e-01 16379 1 1 1 1 62 VAL HG11 1.118 . 0.84 0.27 3.0318e-01 16379 1 1 1 1 62 VAL HG12 1.118 . 0.84 0.27 3.0318e-01 16379 1 1 1 1 62 VAL HG13 1.118 . 0.84 0.27 3.0318e-01 16379 1 1 1 1 62 VAL HG21 0.8647 . 0.83 0.29 9.0476e-01 16379 1 1 1 1 62 VAL HG22 0.8647 . 0.83 0.29 9.0476e-01 16379 1 1 1 1 62 VAL HG23 0.8647 . 0.83 0.29 9.0476e-01 16379 1 1 1 1 62 VAL N 115.9 . 121.02 4.96 3.0195e-01 16379 1 1 1 1 147 LEU C 176.063 . 176.97 2.09 6.6431e-01 16379 1 1 1 1 147 LEU CA 55.11 . 55.65 2.21 8.0696e-01 16379 1 1 1 1 147 LEU CB 42.8 . 42.37 1.86 8.1717e-01 16379 1 1 1 1 147 LEU CG 25.39 . 26.77 1.25 2.6959e-01 16379 1 1 1 1 147 LEU CD1 28.69 . 24.73 1.71 2.0570e-02 16379 1 1 1 1 147 LEU CD2 28.69 A 24.1 1.78 9.9187e-03 16379 1 1 1 1 147 LEU H 9.238 . 8.22 0.65 1.1731e-01 16379 1 1 1 1 147 LEU HA 4.692 . 4.32 0.47 4.2866e-01 16379 1 1 1 1 147 LEU HB2 1.477 . 1.63 0.34 6.5271e-01 16379 1 1 1 1 147 LEU HB3 1.477 . 1.57 0.36 7.9615e-01 16379 1 1 1 1 147 LEU HG 0.7069 . 1.54 0.33 1.1585e-02 16379 1 1 1 1 147 LEU N 131.0 . 121.98 4.07 2.6677e-02 16379 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 8 ARG ARG 0.37 16379 1 1 1 1 8 ARG CYS 0.36 16379 1 1 1 1 8 ARG LYS 0.16 16379 1 1 1 1 8 ARG GLY 0.08 16379 1 1 1 1 62 VAL CYS 0.83 16379 1 1 1 1 62 VAL ILE 0.12 16379 1 1 1 1 62 VAL ALA 0.02 16379 1 1 1 1 62 VAL VAL 0.01 16379 1 1 1 1 147 LEU ARG 0.4 16379 1 1 1 1 147 LEU CYS 0.36 16379 1 1 1 1 147 LEU LYS 0.15 16379 1 1 1 1 147 LEU GLY 0.04 16379 1 1 1 1 147 LEU LEU 0.01 16379 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16379 _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 16379 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16379 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16379 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16379 _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_