data_AVS_bmrb_pdb_report_16096 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16096 _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 32 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16096 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 32 ARG C 174.581 . 176.49 2.16 3.7681e-01 16096 1 1 1 1 32 ARG CA 54.187 . 56.95 2.41 2.5160e-01 16096 1 1 1 1 32 ARG CB 33.463 . 30.66 1.77 1.1328e-01 16096 1 1 1 1 32 ARG CG 28.852 . 27.31 1.65 3.5002e-01 16096 1 1 1 1 32 ARG CD 43.516 . 43.1 1.1 7.0530e-01 16096 1 1 1 1 32 ARG H 8.956 . 8.24 0.6 2.3274e-01 16096 1 1 1 1 32 ARG HA 5.999 A 4.27 0.44 8.5107e-05 16096 1 1 1 1 32 ARG HB2 1.912 . 1.79 0.28 6.6304e-01 16096 1 1 1 1 32 ARG HB3 1.647 . 1.78 0.28 6.3479e-01 16096 1 1 1 1 32 ARG HG2 1.702 . 1.58 0.27 6.5138e-01 16096 1 1 1 1 32 ARG HG3 1.702 . 1.58 0.27 6.5138e-01 16096 1 1 1 1 32 ARG HD2 3.004 . 3.13 0.23 5.8381e-01 16096 1 1 1 1 32 ARG HD3 2.991 . 3.13 0.22 5.2751e-01 16096 1 1 1 1 32 ARG HE 6.858 . 7.32 0.52 3.7429e-01 16096 1 1 1 1 32 ARG N 127.557 . 120.61 3.9 7.4867e-02 16096 1 1 1 1 32 ARG NE 84.334 . 89.8 12.83 6.7008e-01 16096 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 32 ARG CYS 0.43 16096 1 1 1 1 32 ARG LYS 0.22 16096 1 1 1 1 32 ARG ARG 0.2 16096 1 1 1 1 32 ARG GLY 0.13 16096 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16096 _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 16096 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16096 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16096 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16096 _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_