data_AVS_bmrb_pdb_report_6902 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6902 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6902 1 1 1 1 69 LEU Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 6902 1 1 1 1 89 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6902 1 1 1 1 69 LEU H 8.21 . 8.22 0.65 9.8773e-01 6902 1 1 1 1 69 LEU HA 4.27 . 4.32 0.47 9.1528e-01 6902 1 1 1 1 69 LEU HB2 1.59 . 1.63 0.34 9.0635e-01 6902 1 1 1 1 69 LEU HB3 1.17 . 1.57 0.36 2.6652e-01 6902 1 1 1 1 69 LEU HG 1.80 . 1.54 0.33 4.3077e-01 6902 1 1 1 1 69 LEU HD1 0.67 . 0.77 0.27 7.1111e-01 6902 1 1 1 1 69 LEU HD2 0.83 . 0.76 0.28 8.0259e-01 6902 1 1 1 1 69 LEU N 109.7 M 121.98 4.07 2.5512e-03 6902 1 1 1 1 89 CYS H 7.71 . 8.42 0.66 2.8204e-01 6902 1 1 1 1 89 CYS HA 4.43 . 4.73 0.57 5.9867e-01 6902 1 1 1 1 89 CYS HB2 3.22 . 2.95 0.43 5.3006e-01 6902 1 1 1 1 89 CYS HB3 2.33 . 2.98 0.45 1.4861e-01 6902 1 1 1 1 89 CYS HG 2.60 M 1.66 0.48 5.0191e-02 6902 1 1 1 1 89 CYS N 119.9 . 119.95 4.79 9.9167e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6902 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6902 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6902 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6902 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6902 _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_