data_AVS_bmrb_pdb_report_50361 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50361 _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 73 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 50361 1 1 1 1 73 ARG . . . . . . "HD3 > HG2" 0.9974 50361 1 1 1 1 73 ARG . . . . . . "HD3 > HG3" 0.9982 50361 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 73 ARG C 174.087 . 176.41 2.03 2.5248e-01 50361 1 1 1 1 73 ARG CA 54.697 . 56.77 2.31 3.6950e-01 50361 1 1 1 1 73 ARG CB 28.738 . 30.7 1.83 2.8366e-01 50361 1 1 1 1 73 ARG CG 27.785 . 27.21 1.2 6.3182e-01 50361 1 1 1 1 73 ARG CD 40.488 . 43.16 0.88 2.3945e-03 50361 1 1 1 1 73 ARG H 8.277 . 8.24 0.61 9.5163e-01 50361 1 1 1 1 73 ARG HA 3.436 . 4.3 0.46 6.0346e-02 50361 1 1 1 1 73 ARG HB2 1.406 . 1.79 0.27 1.5496e-01 50361 1 1 1 1 73 ARG HB3 -0.121 S 1.76 0.28 1.8442e-11 50361 1 1 1 1 73 ARG HG2 1.190 . 1.57 0.27 1.5931e-01 50361 1 1 1 1 73 ARG HG3 0.260 S 1.54 0.29 1.0158e-05 50361 1 1 1 1 73 ARG HD2 2.318 S 3.12 0.24 8.3277e-04 50361 1 1 1 1 73 ARG HD3 0.220 A 3.1 0.26 1.6236e-28 50361 1 1 1 1 73 ARG HE 7.144 . 7.4 0.63 6.8449e-01 50361 1 1 1 1 73 ARG N 128.665 . 120.8 3.68 3.2579e-02 50361 1 1 1 1 73 ARG NE 83.526 . 84.63 1.68 5.1109e-01 50361 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 73 ARG CYS 0.75 50361 1 1 1 1 73 ARG LEU 0.15 50361 1 1 1 1 73 ARG LYS 0.05 50361 1 1 1 1 73 ARG ARG 0.03 50361 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50361 _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 50361 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50361 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50361 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50361 _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_