data_AVS_bmrb_pdb_report_7222 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7222 _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 5 ARG Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 7222 1 1 1 1 8 ARG Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 7222 1 1 1 1 40 ARG Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 7222 1 1 1 1 56 ARG Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 7222 1 1 1 1 81 ARG Anomalous Indeterminable Consistent Suspicious Indeterminable Anomalous . . 7222 1 1 1 1 84 ARG Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 7222 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 5 ARG H 8.842 D 8.24 0.61 3.2370e-01 7222 1 1 1 1 5 ARG HE 8.814 D 7.4 0.63 2.4804e-02 7222 1 1 1 1 5 ARG N 128.812 D 120.8 3.68 2.9468e-02 7222 1 1 1 1 5 ARG NE 118.282 A 84.63 1.68 0.0000e+00 7222 1 1 1 1 8 ARG H 8.977 D 8.24 0.61 2.2697e-01 7222 1 1 1 1 8 ARG HE 7.186 D 7.4 0.63 7.3410e-01 7222 1 1 1 1 8 ARG N 122.710 D 120.8 3.68 6.0375e-01 7222 1 1 1 1 8 ARG NE 115.764 A 84.63 1.68 1.1367e-76 7222 1 1 1 1 40 ARG H 8.844 D 8.24 0.61 3.2209e-01 7222 1 1 1 1 40 ARG HE 9.302 D 7.4 0.63 2.5357e-03 7222 1 1 1 1 40 ARG N 124.400 D 120.8 3.68 3.2795e-01 7222 1 1 1 1 40 ARG NE 114.482 A 84.63 1.68 1.2276e-70 7222 1 1 1 1 56 ARG H 6.869 D 8.24 0.61 2.4605e-02 7222 1 1 1 1 56 ARG HE 7.880 D 7.4 0.63 4.4612e-01 7222 1 1 1 1 56 ARG N 122.117 D 120.8 3.68 7.2043e-01 7222 1 1 1 1 56 ARG NE 113.867 A 84.63 1.68 7.8326e-68 7222 1 1 1 1 81 ARG H 8.411 D 8.24 0.61 7.7923e-01 7222 1 1 1 1 81 ARG HE 9.905 S 7.4 0.63 7.0028e-05 7222 1 1 1 1 81 ARG N 128.521 D 120.8 3.68 3.5897e-02 7222 1 1 1 1 81 ARG NE 115.734 A 84.63 1.68 1.5838e-76 7222 1 1 1 1 84 ARG H 8.637 D 8.24 0.61 5.1516e-01 7222 1 1 1 1 84 ARG HE 7.318 D 7.4 0.63 8.9644e-01 7222 1 1 1 1 84 ARG N 121.521 D 120.8 3.68 8.4467e-01 7222 1 1 1 1 84 ARG NE 116.661 A 84.63 1.68 4.8328e-81 7222 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7222 _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 7222 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7222 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7222 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7222 _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_