data_AVS_bmrb_pdb_report_10336 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10336 _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 1 145 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 10336 1 1 1 1 145 ARG . . . . . . "HD3 > HB3" 0.9958 10336 1 1 1 1 145 ARG . . . . . . "HD3 > HG2" 0.9974 10336 1 1 1 1 145 ARG . . . . . . "HD3 > HG3" 0.9982 10336 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 1 145 ARG C 173.763 . 176.49 2.16 2.0677e-01 10336 1 1 1 1 145 ARG CA 54.281 . 56.95 2.41 2.6809e-01 10336 1 1 1 1 145 ARG CB 34.768 . 30.66 1.77 2.0292e-02 10336 1 1 1 1 145 ARG CG 28.126 . 27.31 1.65 6.2092e-01 10336 1 1 1 1 145 ARG CD 42.886 . 43.1 1.1 8.4575e-01 10336 1 1 1 1 145 ARG H 8.594 . 8.24 0.6 5.5519e-01 10336 1 1 1 1 145 ARG HA 5.615 . 4.27 0.44 2.2370e-03 10336 1 1 1 1 145 ARG HB2 0.860 S 1.79 0.28 8.9558e-04 10336 1 1 1 1 145 ARG HB3 0.827 S 1.78 0.28 6.6511e-04 10336 1 1 1 1 145 ARG HG2 0.992 . 1.58 0.27 2.9423e-02 10336 1 1 1 1 145 ARG HG3 1.273 . 1.58 0.27 2.5552e-01 10336 1 1 1 1 145 ARG HD2 2.018 S 3.13 0.23 1.3329e-06 10336 1 1 1 1 145 ARG HD3 0.755 A 3.13 0.22 3.6167e-27 10336 1 1 1 1 145 ARG HE 6.432 . 7.32 0.52 8.7693e-02 10336 1 1 1 1 145 ARG N 122.673 . 120.61 3.9 5.9682e-01 10336 1 1 1 1 145 ARG NE 86.756 . 89.8 12.83 8.1246e-01 10336 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 1 145 ARG CYS 0.49 10336 1 1 1 1 145 ARG LYS 0.32 10336 1 1 1 1 145 ARG ARG 0.1 10336 1 1 1 1 145 ARG GLY 0.06 10336 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10336 _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 10336 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10336 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10336 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10336 _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_