data_AVS_bmrb_pdb_report_16215 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16215 _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 32 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16215 1 1 1 1 42 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16215 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 32 ARG C 176.737 . 176.41 2.03 8.7203e-01 16215 1 1 1 1 32 ARG CA 57.842 . 56.77 2.31 6.4260e-01 16215 1 1 1 1 32 ARG CB 30.644 . 30.7 1.83 9.7559e-01 16215 1 1 1 1 32 ARG CG 27.716 . 27.21 1.2 6.7327e-01 16215 1 1 1 1 32 ARG CD 43.060 . 43.16 0.88 9.0953e-01 16215 1 1 1 1 32 ARG H 8.245 . 8.24 0.61 9.9346e-01 16215 1 1 1 1 32 ARG HA 4.150 . 4.3 0.46 7.4436e-01 16215 1 1 1 1 32 ARG HB2 1.512 . 1.79 0.27 3.0318e-01 16215 1 1 1 1 32 ARG HB3 1.397 . 1.76 0.28 1.9483e-01 16215 1 1 1 1 32 ARG HG2 1.450 . 1.57 0.27 6.5672e-01 16215 1 1 1 1 32 ARG HG3 1.326 . 1.54 0.29 4.6056e-01 16215 1 1 1 1 32 ARG HD2 2.644 . 3.12 0.24 4.7330e-02 16215 1 1 1 1 32 ARG HD3 2.479 . 3.1 0.26 1.6919e-02 16215 1 1 1 1 32 ARG HE 6.953 . 7.4 0.63 4.7800e-01 16215 1 1 1 1 32 ARG N 116.864 . 120.8 3.68 2.8482e-01 16215 1 1 1 1 32 ARG NE 116.754 A 84.63 1.68 1.6746e-81 16215 1 1 1 1 42 ARG C 175.094 . 176.41 2.03 5.1681e-01 16215 1 1 1 1 42 ARG CA 57.501 . 56.77 2.31 7.5166e-01 16215 1 1 1 1 42 ARG CB 26.418 . 30.7 1.83 1.9289e-02 16215 1 1 1 1 42 ARG CG 27.215 . 27.21 1.2 9.9668e-01 16215 1 1 1 1 42 ARG CD 42.522 . 43.16 0.88 4.6845e-01 16215 1 1 1 1 42 ARG H 8.292 . 8.24 0.61 9.3207e-01 16215 1 1 1 1 42 ARG HA 3.620 . 4.3 0.46 1.3934e-01 16215 1 1 1 1 42 ARG HB2 2.045 . 1.79 0.27 3.4494e-01 16215 1 1 1 1 42 ARG HB3 2.045 . 1.76 0.28 3.0875e-01 16215 1 1 1 1 42 ARG HG2 1.506 . 1.57 0.27 8.1263e-01 16215 1 1 1 1 42 ARG HG3 1.450 . 1.54 0.29 7.5630e-01 16215 1 1 1 1 42 ARG HD2 3.046 . 3.12 0.24 7.5783e-01 16215 1 1 1 1 42 ARG HD3 3.046 . 3.1 0.26 8.3547e-01 16215 1 1 1 1 42 ARG HE 6.890 . 7.4 0.63 4.1821e-01 16215 1 1 1 1 42 ARG N 113.669 . 120.8 3.68 5.2651e-02 16215 1 1 1 1 42 ARG NE 115.766 A 84.63 1.68 1.1118e-76 16215 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 32 ARG ARG 0.42 16215 1 1 1 1 32 ARG CYS 0.4 16215 1 1 1 1 32 ARG LYS 0.12 16215 1 1 1 1 32 ARG GLY 0.03 16215 1 1 1 1 42 ARG LEU 0.38 16215 1 1 1 1 42 ARG CYS 0.35 16215 1 1 1 1 42 ARG LYS 0.14 16215 1 1 1 1 42 ARG ARG 0.1 16215 1 1 1 1 42 ARG GLY 0.01 16215 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16215 _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 16215 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16215 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16215 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16215 _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_