data_AVS_bmrb_pdb_report_16348 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16348 _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 35 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 16348 1 1 1 1 82 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16348 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 35 ARG C 176.4 . 176.49 2.16 9.6676e-01 16348 1 1 1 1 35 ARG CA 58.7 . 56.95 2.41 4.6775e-01 16348 1 1 1 1 35 ARG CB 30.2 . 30.66 1.77 7.9495e-01 16348 1 1 1 1 35 ARG CG 26.6 . 27.31 1.65 6.6697e-01 16348 1 1 1 1 35 ARG H 7.31 . 8.24 0.6 1.2114e-01 16348 1 1 1 1 35 ARG HA 2.06 A 4.27 0.44 5.0943e-07 16348 1 1 1 1 35 ARG HB2 1.40 . 1.79 0.28 1.6366e-01 16348 1 1 1 1 35 ARG HB3 1.77 . 1.78 0.28 9.7151e-01 16348 1 1 1 1 35 ARG HG2 1.07 . 1.58 0.27 5.8907e-02 16348 1 1 1 1 35 ARG HG3 0.96 . 1.58 0.27 2.1659e-02 16348 1 1 1 1 35 ARG HD2 2.91 . 3.13 0.23 3.3881e-01 16348 1 1 1 1 35 ARG HD3 3.02 . 3.13 0.22 6.1707e-01 16348 1 1 1 1 35 ARG N 121.1 . 120.61 3.9 9.0002e-01 16348 1 1 1 1 82 VAL C 177.6 . 175.69 2.03 3.4676e-01 16348 1 1 1 1 82 VAL CA 66.4 . 62.48 3.04 1.9723e-01 16348 1 1 1 1 82 VAL CB 30.2 . 32.66 1.91 1.9776e-01 16348 1 1 1 1 82 VAL CG1 18.4 . 21.38 1.53 5.1449e-02 16348 1 1 1 1 82 VAL CG2 24.6 . 21.31 1.76 6.1579e-02 16348 1 1 1 1 82 VAL H 7.63 . 8.29 0.71 3.5259e-01 16348 1 1 1 1 82 VAL HA 2.98 . 4.16 0.57 3.8436e-02 16348 1 1 1 1 82 VAL HB 1.37 . 1.99 0.33 6.0274e-02 16348 1 1 1 1 82 VAL HG11 -1.12 A 0.84 0.27 3.8922e-13 16348 1 1 1 1 82 VAL HG12 -1.12 A 0.84 0.27 3.8922e-13 16348 1 1 1 1 82 VAL HG13 -1.12 A 0.84 0.27 3.8922e-13 16348 1 1 1 1 82 VAL HG21 0.42 . 0.83 0.29 1.5742e-01 16348 1 1 1 1 82 VAL HG22 0.42 . 0.83 0.29 1.5742e-01 16348 1 1 1 1 82 VAL HG23 0.42 . 0.83 0.29 1.5742e-01 16348 1 1 1 1 82 VAL N 118.7 . 121.02 4.96 6.3997e-01 16348 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 35 ARG ARG 0.41 16348 1 1 1 1 35 ARG CYS 0.38 16348 1 1 1 1 35 ARG LYS 0.16 16348 1 1 1 1 35 ARG PRO 0.01 16348 1 1 1 1 82 VAL VAL 0.53 16348 1 1 1 1 82 VAL CYS 0.45 16348 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16348 _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 16348 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16348 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16348 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16348 _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_