data_AVS_bmrb_pdb_report_16692 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16692 _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 12 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16692 1 1 1 1 54 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HG2" 0.9974 16692 1 1 1 1 54 ARG . . . . . . "HD3 > HG3" 0.9982 16692 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 12 ASN CA 56.031 . 53.43 1.94 1.8001e-01 16692 1 1 1 1 12 ASN CB 37.083 . 38.66 1.78 3.7564e-01 16692 1 1 1 1 12 ASN H 7.258 . 8.37 0.65 8.7124e-02 16692 1 1 1 1 12 ASN HA 3.736 . 4.7 0.39 1.3444e-02 16692 1 1 1 1 12 ASN HB2 1.372 S 2.8 0.34 2.6691e-05 16692 1 1 1 1 12 ASN HB3 -0.037 A 2.78 0.34 1.1782e-16 16692 1 1 1 1 12 ASN HD21 6.919 . 7.27 0.52 4.9968e-01 16692 1 1 1 1 12 ASN HD22 6.163 . 7.2 0.52 4.6127e-02 16692 1 1 1 1 12 ASN N 118.622 . 119.13 4.42 9.0850e-01 16692 1 1 1 1 12 ASN ND2 113.081 . 112.83 2.6 9.2309e-01 16692 1 1 1 1 54 ARG CA 58.526 . 56.95 2.41 5.1315e-01 16692 1 1 1 1 54 ARG CB 27.076 . 30.66 1.77 4.2882e-02 16692 1 1 1 1 54 ARG CG 30.217 . 27.31 1.65 7.8100e-02 16692 1 1 1 1 54 ARG CD 42.395 . 43.1 1.1 5.2158e-01 16692 1 1 1 1 54 ARG H 6.957 . 8.24 0.6 3.2490e-02 16692 1 1 1 1 54 ARG HA 3.404 . 4.27 0.44 4.9047e-02 16692 1 1 1 1 54 ARG HB2 1.004 . 1.79 0.28 4.9983e-03 16692 1 1 1 1 54 ARG HB3 -0.436 A 1.78 0.28 2.4868e-15 16692 1 1 1 1 54 ARG HG2 1.271 . 1.58 0.27 2.5244e-01 16692 1 1 1 1 54 ARG HG3 1.182 . 1.58 0.27 1.4046e-01 16692 1 1 1 1 54 ARG HD2 1.925 S 3.13 0.23 1.6133e-07 16692 1 1 1 1 54 ARG HD3 1.179 A 3.13 0.22 7.4350e-19 16692 1 1 1 1 54 ARG N 120.698 . 120.61 3.9 9.8200e-01 16692 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 12 ASN CYS 0.28 16692 1 1 1 1 12 ASN GLU 0.21 16692 1 1 1 1 12 ASN TYR 0.16 16692 1 1 1 1 12 ASN ASN 0.09 16692 1 1 1 1 12 ASN PHE 0.09 16692 1 1 1 1 12 ASN MET 0.05 16692 1 1 1 1 12 ASN ILE 0.03 16692 1 1 1 1 12 ASN ASP 0.02 16692 1 1 1 1 12 ASN LYS 0.02 16692 1 1 1 1 54 ARG CYS 0.61 16692 1 1 1 1 54 ARG LYS 0.27 16692 1 1 1 1 54 ARG ARG 0.06 16692 1 1 1 1 54 ARG GLY 0.02 16692 1 1 1 1 54 ARG LEU 0.01 16692 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16692 _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 16692 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16692 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16692 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16692 _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_