data_AVS_bmrb_pdb_report_16034 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16034 _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 37 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16034 1 1 1 1 80 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16034 1 1 1 2 1 CA UNSUPPORTED . . . . . . .16034 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 37 LEU C 178.327 . 176.97 2.09 5.1616e-01 16034 1 1 1 1 37 LEU CA 58.225 . 55.65 2.21 2.4395e-01 16034 1 1 1 1 37 LEU CB 41.090 . 42.37 1.86 4.9134e-01 16034 1 1 1 1 37 LEU CG 26.824 . 26.77 1.25 9.6554e-01 16034 1 1 1 1 37 LEU CD1 26.898 . 24.73 1.71 2.0486e-01 16034 1 1 1 1 37 LEU CD2 22.428 . 24.1 1.78 3.4756e-01 16034 1 1 1 1 37 LEU H 7.682 . 8.22 0.65 4.0785e-01 16034 1 1 1 1 37 LEU HA 2.280 A 4.32 0.47 1.4221e-05 16034 1 1 1 1 37 LEU HB2 0.999 . 1.63 0.34 6.3471e-02 16034 1 1 1 1 37 LEU HB3 1.576 . 1.57 0.36 9.8670e-01 16034 1 1 1 1 37 LEU HG 1.089 . 1.54 0.33 1.7173e-01 16034 1 1 1 1 37 LEU HD11 0.735 . 0.77 0.27 8.9686e-01 16034 1 1 1 1 37 LEU HD12 0.735 . 0.77 0.27 8.9686e-01 16034 1 1 1 1 37 LEU HD13 0.735 . 0.77 0.27 8.9686e-01 16034 1 1 1 1 37 LEU HD21 0.631 . 0.76 0.28 6.4500e-01 16034 1 1 1 1 37 LEU HD22 0.631 . 0.76 0.28 6.4500e-01 16034 1 1 1 1 37 LEU HD23 0.631 . 0.76 0.28 6.4500e-01 16034 1 1 1 1 37 LEU N 121.690 . 121.98 4.07 9.4320e-01 16034 1 1 1 1 80 CYS C 175.927 . 174.78 1.99 5.6436e-01 16034 1 1 1 1 80 CYS CA 64.044 . 57.43 3.41 5.2430e-02 16034 1 1 1 1 80 CYS CB 25.626 . 34.15 6.77 2.0800e-01 16034 1 1 1 1 80 CYS H 8.400 . 8.42 0.66 9.7583e-01 16034 1 1 1 1 80 CYS HA 3.830 . 4.73 0.57 1.1435e-01 16034 1 1 1 1 80 CYS HB2 2.715 . 2.95 0.43 5.8471e-01 16034 1 1 1 1 80 CYS HB3 3.162 . 2.98 0.45 6.8589e-01 16034 1 1 1 1 80 CYS HG 2.395 A 1.66 0.48 1.2571e-01 16034 1 1 1 1 80 CYS N 117.746 . 119.95 4.79 6.4543e-01 16034 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 37 LEU CYS 0.48 16034 1 1 1 1 37 LEU LEU 0.42 16034 1 1 1 1 37 LEU ARG 0.07 16034 1 1 1 1 80 CYS ILE 0.46 16034 1 1 1 1 80 CYS PRO 0.39 16034 1 1 1 1 80 CYS CYS 0.06 16034 1 1 1 1 80 CYS VAL 0.04 16034 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16034 _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 16034 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16034 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16034 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16034 _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_