data_AVS_bmrb_pdb_report_4279 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4279 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4279 1 1 1 1 12 LYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4279 1 1 1 1 55 GLN Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HG3" 0.9995 4279 1 1 1 1 55 GLN . . . . . . "HE21 > HA" 0.9988 4279 1 1 1 1 55 GLN . . . . . . "HE21 > HG3" 0.9994 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4279 1 1 1 1 12 LYS H 8.35 . 8.22 0.64 8.3904e-01 4279 1 1 1 1 12 LYS HA 4.14 . 4.28 0.45 7.5572e-01 4279 1 1 1 1 12 LYS HB2 1.10 . 1.79 0.25 5.7801e-03 4279 1 1 1 1 12 LYS HB3 1.50 . 1.78 0.26 2.8151e-01 4279 1 1 1 1 12 LYS HG2 0.08 S 1.38 0.27 1.4734e-06 4279 1 1 1 1 12 LYS HG3 0.29 S 1.37 0.29 1.9598e-04 4279 1 1 1 1 12 LYS HD2 0.19 M 1.61 0.25 1.3469e-08 4279 1 1 1 1 12 LYS HD3 0.37 S 1.61 0.25 7.0493e-07 4279 1 1 1 1 12 LYS HE2 3.20 . 2.93 0.2 1.7702e-01 4279 1 1 1 1 55 GLN H 8.76 . 8.22 0.62 3.8377e-01 4279 1 1 1 1 55 GLN HA 4.12 . 4.28 0.44 7.1613e-01 4279 1 1 1 1 55 GLN HB2 1.85 . 2.05 0.28 4.7505e-01 4279 1 1 1 1 55 GLN HB3 1.95 . 2.04 0.29 7.5630e-01 4279 1 1 1 1 55 GLN HG2 2.16 . 2.32 0.29 5.8114e-01 4279 1 1 1 1 55 GLN HG3 6.79 M 2.32 0.29 1.3222e-53 4279 1 1 1 1 55 GLN HE21 2.21 M 7.17 0.46 4.1592e-27 4279 1 1 1 1 55 GLN HE22 7.78 . 7.07 0.49 1.4734e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4279 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4279 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4279 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4279 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4279 _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_