data_AVS_bmrb_pdb_report_16574 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16574 _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 20 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 16574 1 1 1 1 41 ASP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB2" 0.9995 16574 1 1 1 1 47 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 16574 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 20 ARG CA 52.209 . 56.77 2.31 4.8330e-02 16574 1 1 1 1 20 ARG CB 32.764 . 30.7 1.83 2.5938e-01 16574 1 1 1 1 20 ARG CG 24.986 . 27.21 1.2 6.3835e-02 16574 1 1 1 1 20 ARG CD 41.514 . 43.16 0.88 6.1421e-02 16574 1 1 1 1 20 ARG H 7.9385 . 8.24 0.61 6.2112e-01 16574 1 1 1 1 20 ARG HA 4.263 . 4.3 0.46 9.3589e-01 16574 1 1 1 1 20 ARG HB2 1.29975 . 1.79 0.27 6.9410e-02 16574 1 1 1 1 20 ARG HB3 0.81425 S 1.76 0.28 7.3100e-04 16574 1 1 1 1 20 ARG HG2 1.3055 . 1.57 0.27 3.2727e-01 16574 1 1 1 1 20 ARG HG3 0.9585 . 1.54 0.29 4.4945e-02 16574 1 1 1 1 20 ARG HD2 3.1275 . 3.12 0.24 9.7507e-01 16574 1 1 1 1 20 ARG HD3 2.7815 . 3.1 0.26 2.2058e-01 16574 1 1 1 1 20 ARG HE 7.0635 . 7.4 0.63 5.9325e-01 16574 1 1 1 1 20 ARG N 127.6855 . 120.8 3.68 6.1337e-02 16574 1 1 1 1 20 ARG NE 112.899 A 84.63 1.68 1.5531e-63 16574 1 1 1 1 41 ASP CA 49.292 . 54.69 2.03 7.8347e-03 16574 1 1 1 1 41 ASP CB 39.570 . 40.88 1.62 4.1872e-01 16574 1 1 1 1 41 ASP H 8.06425 . 8.31 0.58 6.7178e-01 16574 1 1 1 1 41 ASP HA 2.3045 A 4.59 0.32 9.1857e-13 16574 1 1 1 1 41 ASP HB2 2.50525 . 2.72 0.26 4.0883e-01 16574 1 1 1 1 41 ASP HB3 2.22725 . 2.66 0.28 1.2222e-01 16574 1 1 1 1 41 ASP N 127.2095 . 120.65 3.86 8.9253e-02 16574 1 1 1 1 47 PRO CB 31.913 . 31.85 1.18 9.5742e-01 16574 1 1 1 1 47 PRO CD 49.292 . 50.32 0.99 2.9909e-01 16574 1 1 1 1 47 PRO HA 9.0145 A 4.4 0.33 1.9704e-44 16574 1 1 1 1 47 PRO HB2 2.151 . 2.08 0.35 8.3925e-01 16574 1 1 1 1 47 PRO HB3 1.9215 . 2 0.36 8.2739e-01 16574 1 1 1 1 47 PRO HG2 1.966 . 1.93 0.31 9.0755e-01 16574 1 1 1 1 47 PRO HG3 1.84975 . 1.9 0.33 8.7897e-01 16574 1 1 1 1 47 PRO HD2 3.3295 . 3.65 0.35 3.5982e-01 16574 1 1 1 1 47 PRO HD3 3.40025 . 3.61 0.39 5.9070e-01 16574 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 20 ARG LYS 0.92 16574 1 1 1 1 20 ARG ARG 0.05 16574 1 1 1 1 20 ARG ALA 0.01 16574 1 1 1 1 20 ARG GLY 0.01 16574 1 1 1 1 41 ASP ASN 0.66 16574 1 1 1 1 41 ASP ASP 0.2 16574 1 1 1 1 41 ASP LEU 0.04 16574 1 1 1 1 41 ASP GLY 0.03 16574 1 1 1 1 41 ASP PHE 0.02 16574 1 1 1 1 41 ASP TYR 0.01 16574 1 1 1 1 47 PRO PRO 0.95 16574 1 1 1 1 47 PRO MET 0.01 16574 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16574 _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 16574 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16574 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16574 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16574 _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_