data_AVS_bmrb_pdb_report_16376 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16376 _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 61 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16376 1 1 1 1 86 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16376 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 61 LEU C 175.213 . 176.97 2.09 4.0053e-01 16376 1 1 1 1 61 LEU CA 55.232 . 55.65 2.21 8.4998e-01 16376 1 1 1 1 61 LEU CB 44.450 . 42.37 1.86 2.6345e-01 16376 1 1 1 1 61 LEU CG 26.970 . 26.77 1.25 8.7288e-01 16376 1 1 1 1 61 LEU CD1 23.948 . 24.73 1.71 6.4745e-01 16376 1 1 1 1 61 LEU CD2 26.166 . 24.1 1.78 2.4577e-01 16376 1 1 1 1 61 LEU H 12.56 A 8.22 0.65 2.4401e-11 16376 1 1 1 1 61 LEU HA 4.463 . 4.32 0.47 7.6093e-01 16376 1 1 1 1 61 LEU HB2 1.868 . 1.63 0.34 4.8393e-01 16376 1 1 1 1 61 LEU HB3 1.105 . 1.57 0.36 1.9647e-01 16376 1 1 1 1 61 LEU HG 1.345 . 1.54 0.33 5.5458e-01 16376 1 1 1 1 61 LEU HD11 0.864 . 0.77 0.27 7.2773e-01 16376 1 1 1 1 61 LEU HD12 0.864 . 0.77 0.27 7.2773e-01 16376 1 1 1 1 61 LEU HD13 0.864 . 0.77 0.27 7.2773e-01 16376 1 1 1 1 61 LEU HD21 0.585 . 0.76 0.28 5.3197e-01 16376 1 1 1 1 61 LEU HD22 0.585 . 0.76 0.28 5.3197e-01 16376 1 1 1 1 61 LEU HD23 0.585 . 0.76 0.28 5.3197e-01 16376 1 1 1 1 61 LEU N 132.65 . 121.98 4.07 8.7513e-03 16376 1 1 1 1 86 HIS C 174.036 . 175.19 2.14 5.8971e-01 16376 1 1 1 1 86 HIS CA 54.968 . 56.37 2.4 5.5911e-01 16376 1 1 1 1 86 HIS CB 31.062 . 29.95 2.15 6.0501e-01 16376 1 1 1 1 86 HIS CE1 138.13 . 136.05 3.58 5.6124e-01 16376 1 1 1 1 86 HIS H 7.598 . 8.25 0.74 3.7827e-01 16376 1 1 1 1 86 HIS HA 5.015 . 4.62 0.51 4.3863e-01 16376 1 1 1 1 86 HIS HB2 3.387 . 3.12 0.43 5.3465e-01 16376 1 1 1 1 86 HIS HB3 3.235 . 3.11 0.45 7.8118e-01 16376 1 1 1 1 86 HIS HD2 6.507 . 7.08 0.5 2.5180e-01 16376 1 1 1 1 86 HIS HE1 7.882 . 8.08 0.57 7.2831e-01 16376 1 1 1 1 86 HIS N 114.515 . 119.44 4.52 2.7589e-01 16376 1 1 1 1 86 HIS ND1 171.89 . 190.74 22.84 4.0920e-01 16376 1 1 1 1 86 HIS NE2 253.92 A 179.81 13.86 8.9403e-08 16376 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 61 LEU LEU 0.38 16376 1 1 1 1 61 LEU GLY 0.28 16376 1 1 1 1 61 LEU CYS 0.24 16376 1 1 1 1 61 LEU ARG 0.07 16376 1 1 1 1 86 HIS HIS 0.36 16376 1 1 1 1 86 HIS TRP 0.32 16376 1 1 1 1 86 HIS CYS 0.31 16376 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16376 _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 16376 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16376 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16376 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16376 _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_