data_AVS_bmrb_pdb_report_7296 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7296 _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 16 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7296 1 1 1 1 24 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7296 1 1 1 1 61 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7296 1 1 1 1 64 ASN Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HD21 > HA" 0.9966 7296 1 1 1 2 1 HEM UNSUPPORTED . . . . . . . 7296 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 16 HIS H 7.017 . 8.24 0.68 7.2093e-02 7296 1 1 1 1 16 HIS HA 4.147 . 4.61 0.43 2.8159e-01 7296 1 1 1 1 16 HIS HB2 1.182 S 3.1 0.36 9.9422e-08 7296 1 1 1 1 16 HIS HB3 1.182 S 3.04 0.38 1.0111e-06 7296 1 1 1 1 16 HIS HD1 8.714 . 8.68 2.62 9.8965e-01 7296 1 1 1 1 16 HIS HD2 0.643 A 7 0.43 1.8657e-49 7296 1 1 1 1 16 HIS HE1 0.79 A 7.95 0.48 2.5678e-50 7296 1 1 1 1 24 GLY H 6.595 . 8.33 0.65 7.6025e-03 7296 1 1 1 1 24 GLY HA2 3.773 . 3.97 0.37 5.9443e-01 7296 1 1 1 1 24 GLY HA3 0.191 A 3.9 0.37 1.1917e-23 7296 1 1 1 1 61 MET H 8.77 . 8.26 0.6 3.9533e-01 7296 1 1 1 1 61 MET HA 3.697 . 4.41 0.48 1.3743e-01 7296 1 1 1 1 61 MET HB2 -2.762 A 2.03 0.34 4.1277e-45 7296 1 1 1 1 61 MET HB3 -0.904 S 1.99 0.34 1.7131e-17 7296 1 1 1 1 61 MET HG2 -3.667 A 2.42 0.35 9.5816e-68 7296 1 1 1 1 61 MET HG3 -0.535 A 2.39 0.38 1.3890e-14 7296 1 1 1 1 61 MET HE1 -2.907 A 1.89 0.46 1.8423e-25 7296 1 1 1 1 61 MET HE2 -2.907 A 1.89 0.46 1.8423e-25 7296 1 1 1 1 61 MET HE3 -2.907 A 1.89 0.46 1.8423e-25 7296 1 1 1 1 64 ASN H 7.012 . 8.34 0.63 3.5036e-02 7296 1 1 1 1 64 ASN HA 5.101 . 4.67 0.36 2.3122e-01 7296 1 1 1 1 64 ASN HB2 2.64 . 2.81 0.31 5.8343e-01 7296 1 1 1 1 64 ASN HB3 1.95 . 2.75 0.33 1.5340e-02 7296 1 1 1 1 64 ASN HD21 3.19 A 7.35 0.48 4.4496e-18 7296 1 1 1 1 64 ASN HD22 7.277 . 7.14 0.49 7.7979e-01 7296 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7296 _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 7296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7296 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7296 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7296 _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_