data_AVS_bmrb_pdb_report_17050 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17050 _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 45 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17050 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 45 LEU CA 53.733 . 55.65 2.21 3.8571e-01 17050 1 1 1 1 45 LEU CB 40.282 . 42.37 1.86 2.6162e-01 17050 1 1 1 1 45 LEU CG 25.816 . 26.77 1.25 4.4534e-01 17050 1 1 1 1 45 LEU CD1 19.729 . 24.73 1.71 3.4494e-03 17050 1 1 1 1 45 LEU CD2 25.314 . 24.1 1.78 4.9522e-01 17050 1 1 1 1 45 LEU H 8.164 . 8.22 0.65 9.3134e-01 17050 1 1 1 1 45 LEU HA 3.731 . 4.32 0.47 2.1014e-01 17050 1 1 1 1 45 LEU HB2 0.865 . 1.63 0.34 2.4449e-02 17050 1 1 1 1 45 LEU HB3 -1.470 A 1.57 0.36 3.0549e-17 17050 1 1 1 1 45 LEU HG 0.547 . 1.54 0.33 2.6203e-03 17050 1 1 1 1 45 LEU HD11 -0.531 S 0.77 0.27 1.4463e-06 17050 1 1 1 1 45 LEU HD12 -0.531 S 0.77 0.27 1.4463e-06 17050 1 1 1 1 45 LEU HD13 -0.531 S 0.77 0.27 1.4463e-06 17050 1 1 1 1 45 LEU HD21 0.399 . 0.76 0.28 1.9730e-01 17050 1 1 1 1 45 LEU HD22 0.399 . 0.76 0.28 1.9730e-01 17050 1 1 1 1 45 LEU HD23 0.399 . 0.76 0.28 1.9730e-01 17050 1 1 1 1 45 LEU N 127.597 . 121.98 4.07 1.6756e-01 17050 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 45 LEU ALA 0.67 17050 1 1 1 1 45 LEU CYS 0.28 17050 1 1 1 1 45 LEU LEU 0.03 17050 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17050 _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 17050 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17050 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17050 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17050 _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_