data_AVS_bmrb_pdb_report_6782 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6782 _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 66 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 6782 1 1 1 1 66 ARG . . . . . . "HD2 > HB3" 0.9951 6782 1 1 1 1 66 ARG . . . . . . "HD2 > HG3" 0.9983 6782 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 66 ARG C 176.0 . 176.41 2.03 8.3994e-01 6782 1 1 1 1 66 ARG CA 60.5 . 56.77 2.31 1.0637e-01 6782 1 1 1 1 66 ARG CB 31.3 . 30.7 1.83 7.4301e-01 6782 1 1 1 1 66 ARG CG 28.9 . 27.21 1.2 1.5903e-01 6782 1 1 1 1 66 ARG CD 41.8 . 43.16 0.88 1.2224e-01 6782 1 1 1 1 66 ARG CZ 159.4 . 159.97 2.95 8.4679e-01 6782 1 1 1 1 66 ARG H 8.08 . 8.24 0.61 7.9309e-01 6782 1 1 1 1 66 ARG HA 3.68 . 4.3 0.46 1.7771e-01 6782 1 1 1 1 66 ARG HB2 1.34 . 1.79 0.27 9.5581e-02 6782 1 1 1 1 66 ARG HB3 1.76 . 1.76 0.28 1.0000e+00 6782 1 1 1 1 66 ARG HG2 0.52 S 1.57 0.27 1.0070e-04 6782 1 1 1 1 66 ARG HG3 1.38 . 1.54 0.29 5.8114e-01 6782 1 1 1 1 66 ARG HD2 0.89 A 3.12 0.24 1.5189e-20 6782 1 1 1 1 66 ARG HD3 1.94 S 3.1 0.26 8.1373e-06 6782 1 1 1 1 66 ARG HE 8.66 . 7.4 0.63 4.5500e-02 6782 1 1 1 1 66 ARG N 118.5 . 120.8 3.68 5.3197e-01 6782 1 1 1 1 66 ARG NE 82.2 . 84.63 1.68 1.4806e-01 6782 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 66 ARG ARG 0.96 6782 1 1 1 1 66 ARG GLY 0.03 6782 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6782 _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 6782 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6782 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6782 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6782 _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_