data_AVS_bmrb_pdb_report_10141 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10141 _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 1 101 LEU Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 10141 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 1 101 LEU C 174.350 . 176.97 2.09 2.0999e-01 10141 1 1 1 1 101 LEU CA 55.181 . 55.65 2.21 8.3194e-01 10141 1 1 1 1 101 LEU CB 43.103 . 42.37 1.86 6.9352e-01 10141 1 1 1 1 101 LEU CG 27.011 . 26.77 1.25 8.4712e-01 10141 1 1 1 1 101 LEU CD1 26.502 . 24.73 1.71 3.0008e-01 10141 1 1 1 1 101 LEU CD2 24.302 . 24.1 1.78 9.0965e-01 10141 1 1 1 1 101 LEU H 5.223 A 8.22 0.65 4.0118e-06 10141 1 1 1 1 101 LEU HA 3.758 . 4.32 0.47 2.3180e-01 10141 1 1 1 1 101 LEU HB2 1.490 . 1.63 0.34 6.8051e-01 10141 1 1 1 1 101 LEU HB3 1.151 . 1.57 0.36 2.4447e-01 10141 1 1 1 1 101 LEU HG 1.272 . 1.54 0.33 4.1672e-01 10141 1 1 1 1 101 LEU HD11 0.903 . 0.77 0.27 6.2230e-01 10141 1 1 1 1 101 LEU HD12 0.903 . 0.77 0.27 6.2230e-01 10141 1 1 1 1 101 LEU HD13 0.903 . 0.77 0.27 6.2230e-01 10141 1 1 1 1 101 LEU HD21 0.840 . 0.76 0.28 7.7510e-01 10141 1 1 1 1 101 LEU HD22 0.840 . 0.76 0.28 7.7510e-01 10141 1 1 1 1 101 LEU HD23 0.840 . 0.76 0.28 7.7510e-01 10141 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 1 101 LEU LEU 0.51 10141 1 1 1 1 101 LEU CYS 0.25 10141 1 1 1 1 101 LEU ARG 0.15 10141 1 1 1 1 101 LEU GLY 0.06 10141 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10141 _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 10141 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10141 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10141 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10141 _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_