data_AVS_bmrb_pdb_report_11604 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11604 _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 41 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11604 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 41 LEU C 174.162 . 176.99 1.98 1.5321e-01 11604 1 1 1 1 41 LEU CA 53.031 . 55.62 2.13 2.2418e-01 11604 1 1 1 1 41 LEU CB 40.371 . 42.31 1.88 3.0236e-01 11604 1 1 1 1 41 LEU CG 26.252 . 26.78 1.1 6.3123e-01 11604 1 1 1 1 41 LEU CD1 25.542 . 24.72 1.59 6.0517e-01 11604 1 1 1 1 41 LEU CD2 19.742 . 24.05 1.7 1.1273e-02 11604 1 1 1 1 41 LEU H 7.313 . 8.23 0.65 1.5831e-01 11604 1 1 1 1 41 LEU HA 3.769 . 4.32 0.47 2.4106e-01 11604 1 1 1 1 41 LEU HB2 0.546 . 1.61 0.34 1.7516e-03 11604 1 1 1 1 41 LEU HB3 -1.777 A 1.52 0.36 5.2705e-20 11604 1 1 1 1 41 LEU HG 0.587 . 1.51 0.33 5.1584e-03 11604 1 1 1 1 41 LEU HD11 0.369 . 0.75 0.28 1.7360e-01 11604 1 1 1 1 41 LEU HD12 0.369 . 0.75 0.28 1.7360e-01 11604 1 1 1 1 41 LEU HD13 0.369 . 0.75 0.28 1.7360e-01 11604 1 1 1 1 41 LEU HD21 -0.462 S 0.73 0.29 3.9507e-05 11604 1 1 1 1 41 LEU HD22 -0.462 S 0.73 0.29 3.9507e-05 11604 1 1 1 1 41 LEU HD23 -0.462 S 0.73 0.29 3.9507e-05 11604 1 1 1 1 41 LEU N 126.073 . 121.86 3.9 2.8003e-01 11604 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 41 LEU ALA 0.78 11604 1 1 1 1 41 LEU CYS 0.14 11604 1 1 1 1 41 LEU LEU 0.07 11604 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11604 _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 11604 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11604 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11604 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11604 _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_