data_AVS_bmrb_pdb_report_4898 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4898 _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 46 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4898 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 4898 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 46 ARG C 176.14 . 176.41 2.03 8.9419e-01 4898 1 1 1 1 46 ARG CA 56.21 . 56.77 2.31 8.0845e-01 4898 1 1 1 1 46 ARG CB 31.75 . 30.7 1.83 5.6612e-01 4898 1 1 1 1 46 ARG CG 26.23 . 27.21 1.2 4.1412e-01 4898 1 1 1 1 46 ARG CD 42.99 . 43.16 0.88 8.4682e-01 4898 1 1 1 1 46 ARG H 7.91 . 8.24 0.61 5.8852e-01 4898 1 1 1 1 46 ARG HA 3.21 . 4.3 0.46 1.7809e-02 4898 1 1 1 1 46 ARG HB2 0.64 S 1.79 0.27 2.0511e-05 4898 1 1 1 1 46 ARG HB3 1.13 . 1.76 0.28 2.4449e-02 4898 1 1 1 1 46 ARG HG2 -0.86 A 1.57 0.27 2.2572e-19 4898 1 1 1 1 46 ARG HG3 0.74 . 1.54 0.29 5.8046e-03 4898 1 1 1 1 46 ARG HD2 2.47 . 3.12 0.24 6.7622e-03 4898 1 1 1 1 46 ARG HD3 2.61 . 3.1 0.26 5.9482e-02 4898 1 1 1 1 46 ARG HE 6.55 . 7.4 0.63 1.7727e-01 4898 1 1 1 1 46 ARG HH11 6.58 . 6.91 0.46 4.7313e-01 4898 1 1 1 1 46 ARG HH12 6.76 . 6.8 0.33 9.0352e-01 4898 1 1 1 1 46 ARG HH21 6.58 . 6.81 0.48 6.3182e-01 4898 1 1 1 1 46 ARG HH22 6.76 . 6.76 0.36 1.0000e+00 4898 1 1 1 1 46 ARG N 116.82 . 120.8 3.68 2.7947e-01 4898 1 1 1 1 46 ARG NE 83.75 . 84.63 1.68 6.0041e-01 4898 1 1 1 1 46 ARG NH1 71.72 . 73.82 4.62 6.4944e-01 4898 1 1 1 1 46 ARG NH2 72.25 . 73.26 3.32 7.6096e-01 4898 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 46 ARG ARG 0.39 4898 1 1 1 1 46 ARG CYS 0.36 4898 1 1 1 1 46 ARG LYS 0.2 4898 1 1 1 1 46 ARG GLY 0.03 4898 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4898 _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 4898 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4898 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4898 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4898 _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_