data_AVS_bmrb_pdb_report_17147 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17147 _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 54 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17147 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 54 ARG C 179.9650 . 176.49 2.16 1.0766e-01 17147 1 1 1 1 54 ARG CA 56.4710 . 56.95 2.41 8.4245e-01 17147 1 1 1 1 54 ARG CB 27.7710 . 30.66 1.77 1.0264e-01 17147 1 1 1 1 54 ARG CG 24.1010 . 27.31 1.65 5.1793e-02 17147 1 1 1 1 54 ARG CD 40.4420 . 43.1 1.1 1.5676e-02 17147 1 1 1 1 54 ARG H 8.4530 . 8.24 0.6 7.2259e-01 17147 1 1 1 1 54 ARG HA 3.5120 . 4.27 0.44 8.4938e-02 17147 1 1 1 1 54 ARG HB2 -0.5440 A 1.79 0.28 7.7032e-17 17147 1 1 1 1 54 ARG HB3 0.6860 S 1.78 0.28 9.3394e-05 17147 1 1 1 1 54 ARG HG2 -0.6120 S 1.58 0.27 4.7191e-16 17147 1 1 1 1 54 ARG HG3 -0.2250 S 1.58 0.27 2.3063e-11 17147 1 1 1 1 54 ARG HD2 2.4190 . 3.13 0.23 1.9928e-03 17147 1 1 1 1 54 ARG HD3 2.0840 S 3.13 0.22 1.9889e-06 17147 1 1 1 1 54 ARG HE 9.8919 S 7.32 0.52 7.5769e-07 17147 1 1 1 1 54 ARG N 124.0650 . 120.61 3.9 3.7567e-01 17147 1 1 1 1 54 ARG NE 89.4890 . 89.8 12.83 9.8066e-01 17147 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 54 ARG LEU 0.55 17147 1 1 1 1 54 ARG LYS 0.43 17147 1 1 1 1 54 ARG ARG 0.01 17147 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17147 _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 17147 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17147 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17147 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17147 _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_