data_AVS_bmrb_pdb_report_17314 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17314 _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 1 110 LEU Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 0.9998 17314 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 1 110 LEU C 176.311 . 176.99 1.98 7.3165e-01 17314 1 1 1 1 110 LEU CA 53.964 . 55.62 2.13 4.3688e-01 17314 1 1 1 1 110 LEU CB 39.772 . 42.31 1.88 1.7702e-01 17314 1 1 1 1 110 LEU CG 24.844 . 26.78 1.1 7.8408e-02 17314 1 1 1 1 110 LEU CD1 22.211 . 24.72 1.59 1.1457e-01 17314 1 1 1 1 110 LEU CD2 22.211 . 24.05 1.7 2.7936e-01 17314 1 1 1 1 110 LEU H 7.486 . 8.23 0.65 2.5237e-01 17314 1 1 1 1 110 LEU HA 119.411 A 4.32 0.47 0.0000e+00 17314 1 1 1 1 110 LEU HB2 0.641 . 1.61 0.34 4.3719e-03 17314 1 1 1 1 110 LEU HB3 0.460 . 1.52 0.36 3.2354e-03 17314 1 1 1 1 110 LEU HD11 0.025 . 0.75 0.28 9.6175e-03 17314 1 1 1 1 110 LEU HD12 0.025 . 0.75 0.28 9.6175e-03 17314 1 1 1 1 110 LEU HD13 0.025 . 0.75 0.28 9.6175e-03 17314 1 1 1 1 110 LEU HD21 0.025 . 0.73 0.29 1.5056e-02 17314 1 1 1 1 110 LEU HD22 0.025 . 0.73 0.29 1.5056e-02 17314 1 1 1 1 110 LEU HD23 0.025 . 0.73 0.29 1.5056e-02 17314 1 1 1 1 110 LEU N 119.411 . 121.86 3.9 5.3004e-01 17314 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 1 110 LEU CYS 0.4 17314 1 1 1 1 110 LEU ALA 0.39 17314 1 1 1 1 110 LEU LEU 0.2 17314 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17314 _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 17314 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17314 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17314 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17314 _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_