data_AVS_bmrb_pdb_report_50567 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50567 _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 19 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 50567 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 19 ARG CA 56.523 . 56.77 2.31 9.1485e-01 50567 1 1 1 1 19 ARG CB 29.379 . 30.7 1.83 4.7038e-01 50567 1 1 1 1 19 ARG CG 27.460 . 27.21 1.2 8.3497e-01 50567 1 1 1 1 19 ARG CD 43.287 . 43.16 0.88 8.8525e-01 50567 1 1 1 1 19 ARG H 8.613 . 8.24 0.61 5.4088e-01 50567 1 1 1 1 19 ARG HA 4.206 . 4.3 0.46 8.3808e-01 50567 1 1 1 1 19 ARG HB2 1.910 . 1.79 0.27 6.5672e-01 50567 1 1 1 1 19 ARG HB3 1.789 . 1.76 0.28 9.1751e-01 50567 1 1 1 1 19 ARG HG2 1.565 . 1.57 0.27 9.8523e-01 50567 1 1 1 1 19 ARG HG3 1.565 . 1.54 0.29 9.3130e-01 50567 1 1 1 1 19 ARG HD2 3.154 . 3.12 0.24 8.8734e-01 50567 1 1 1 1 19 ARG HD3 3.154 . 3.1 0.26 8.3547e-01 50567 1 1 1 1 19 ARG HH11 7.393 . 6.91 0.46 2.9372e-01 50567 1 1 1 1 19 ARG HH12 7.393 . 6.8 0.33 7.2341e-02 50567 1 1 1 1 19 ARG HH21 7.812 . 6.81 0.48 3.6843e-02 50567 1 1 1 1 19 ARG HH22 7.812 . 6.76 0.36 3.4754e-03 50567 1 1 1 1 19 ARG NH1 108.464 A 73.82 4.62 6.4453e-14 50567 1 1 1 1 19 ARG NH2 108.450 A 73.26 3.32 2.9991e-26 50567 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 19 ARG ARG 0.54 50567 1 1 1 1 19 ARG CYS 0.42 50567 1 1 1 1 19 ARG LEU 0.03 50567 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50567 _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 50567 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50567 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50567 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50567 _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_