data_AVS_bmrb_pdb_report_17079 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17079 _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 14 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 17079 1 1 1 1 14 ARG . . . . . . "HD3 > HB3" 0.9958 17079 1 1 1 1 14 ARG . . . . . . "HD3 > HG2" 0.9974 17079 1 1 1 1 23 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17079 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 14 ARG C 180.39 . 176.41 2.03 4.9927e-02 17079 1 1 1 1 14 ARG CA 54.13 . 56.77 2.31 2.5310e-01 17079 1 1 1 1 14 ARG CB 32.94 . 30.7 1.83 2.2094e-01 17079 1 1 1 1 14 ARG CG 25.11 . 27.21 1.2 8.0118e-02 17079 1 1 1 1 14 ARG CD 42.37 . 43.16 0.88 3.6933e-01 17079 1 1 1 1 14 ARG H 9.30 . 8.24 0.61 8.2263e-02 17079 1 1 1 1 14 ARG HA 4.72 . 4.3 0.46 3.6122e-01 17079 1 1 1 1 14 ARG HB2 1.56 . 1.79 0.27 3.9430e-01 17079 1 1 1 1 14 ARG HB3 1.26 . 1.76 0.28 7.4146e-02 17079 1 1 1 1 14 ARG HG2 1.08 . 1.57 0.27 6.9553e-02 17079 1 1 1 1 14 ARG HG3 0.64 . 1.54 0.29 1.9128e-03 17079 1 1 1 1 14 ARG HD2 2.01 S 3.12 0.24 3.7460e-06 17079 1 1 1 1 14 ARG HD3 0.70 A 3.1 0.26 2.6870e-20 17079 1 1 1 1 14 ARG N 123.93 . 120.8 3.68 3.9502e-01 17079 1 1 1 1 23 LEU C 178.33 . 176.99 1.98 4.9855e-01 17079 1 1 1 1 23 LEU CA 53.43 . 55.62 2.13 3.0387e-01 17079 1 1 1 1 23 LEU CB 40.06 . 42.31 1.88 2.3138e-01 17079 1 1 1 1 23 LEU CG 26.43 . 26.78 1.1 7.5035e-01 17079 1 1 1 1 23 LEU CD1 25.28 . 24.72 1.59 7.2469e-01 17079 1 1 1 1 23 LEU CD2 20.11 . 24.05 1.7 2.0469e-02 17079 1 1 1 1 23 LEU H 8.00 . 8.23 0.65 7.2345e-01 17079 1 1 1 1 23 LEU HA 3.64 . 4.32 0.47 1.4795e-01 17079 1 1 1 1 23 LEU HB2 0.81 . 1.61 0.34 1.8626e-02 17079 1 1 1 1 23 LEU HB3 -1.51 A 1.52 0.36 3.8735e-17 17079 1 1 1 1 23 LEU HG 0.51 . 1.51 0.33 2.4431e-03 17079 1 1 1 1 23 LEU HD11 0.30 . 0.75 0.28 1.0802e-01 17079 1 1 1 1 23 LEU HD12 0.30 . 0.75 0.28 1.0802e-01 17079 1 1 1 1 23 LEU HD13 0.30 . 0.75 0.28 1.0802e-01 17079 1 1 1 1 23 LEU HD21 -0.58 S 0.73 0.29 6.2650e-06 17079 1 1 1 1 23 LEU HD22 -0.58 S 0.73 0.29 6.2650e-06 17079 1 1 1 1 23 LEU HD23 -0.58 S 0.73 0.29 6.2650e-06 17079 1 1 1 1 23 LEU N 126.37 . 121.86 3.9 2.4751e-01 17079 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 14 ARG LYS 0.79 17079 1 1 1 1 14 ARG ARG 0.16 17079 1 1 1 1 14 ARG GLY 0.02 17079 1 1 1 1 23 LEU ALA 0.84 17079 1 1 1 1 23 LEU LEU 0.15 17079 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17079 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 17079 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17079 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17079 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17079 _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_