data_AVS_bmrb_pdb_report_11497 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11497 _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 51 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11497 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 51 LEU C 173.623 . 176.99 1.98 8.9036e-02 11497 1 1 1 1 51 LEU CA 52.943 . 55.62 2.13 2.0882e-01 11497 1 1 1 1 51 LEU CB 40.497 . 42.31 1.88 3.3486e-01 11497 1 1 1 1 51 LEU CG 25.488 . 26.78 1.1 2.4018e-01 11497 1 1 1 1 51 LEU CD1 25.255 . 24.72 1.59 7.3651e-01 11497 1 1 1 1 51 LEU CD2 20.380 . 24.05 1.7 3.0864e-02 11497 1 1 1 1 51 LEU H 7.823 . 8.23 0.65 5.3121e-01 11497 1 1 1 1 51 LEU HA 3.552 . 4.32 0.47 1.0225e-01 11497 1 1 1 1 51 LEU HB2 0.816 . 1.61 0.34 1.9528e-02 11497 1 1 1 1 51 LEU HB3 -1.507 A 1.52 0.36 4.1588e-17 11497 1 1 1 1 51 LEU HG 0.376 S 1.51 0.33 5.8958e-04 11497 1 1 1 1 51 LEU HD11 0.372 . 0.75 0.28 1.7702e-01 11497 1 1 1 1 51 LEU HD12 0.372 . 0.75 0.28 1.7702e-01 11497 1 1 1 1 51 LEU HD13 0.372 . 0.75 0.28 1.7702e-01 11497 1 1 1 1 51 LEU HD21 -0.572 S 0.73 0.29 7.1339e-06 11497 1 1 1 1 51 LEU HD22 -0.572 S 0.73 0.29 7.1339e-06 11497 1 1 1 1 51 LEU HD23 -0.572 S 0.73 0.29 7.1339e-06 11497 1 1 1 1 51 LEU N 126.021 . 121.86 3.9 2.8601e-01 11497 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 51 LEU ALA 0.74 11497 1 1 1 1 51 LEU CYS 0.13 11497 1 1 1 1 51 LEU LEU 0.12 11497 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11497 _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 11497 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11497 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11497 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11497 _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_