data_AVS_bmrb_pdb_report_5887 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5887 _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 5887 1 1 1 1 101 GLN Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 5887 1 1 1 1 121 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 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 5887 1 1 1 1 101 GLN CA 52.2 . 56.62 2.19 4.3564e-02 5887 1 1 1 1 101 GLN H 9.13 . 8.22 0.62 1.4217e-01 5887 1 1 1 1 101 GLN HA 6.09 S 4.28 0.44 3.8947e-05 5887 1 1 1 1 101 GLN HE21 11.08 M 7.17 0.46 1.8959e-17 5887 1 1 1 1 101 GLN HE22 6.88 . 7.07 0.49 6.9820e-01 5887 1 1 1 1 101 GLN N 124.6 . 119.92 4.01 2.4318e-01 5887 1 1 1 1 101 GLN NE2 122.8 M 111.81 2.2 5.8697e-07 5887 1 1 1 1 121 LEU CA 52.1 . 55.65 2.21 1.0820e-01 5887 1 1 1 1 121 LEU CB 40.7 . 42.37 1.86 3.6927e-01 5887 1 1 1 1 121 LEU CG 20.1 M 26.77 1.25 9.5019e-08 5887 1 1 1 1 121 LEU CD1 23.3 . 24.73 1.71 4.0301e-01 5887 1 1 1 1 121 LEU CD2 22.1 . 24.1 1.78 2.6118e-01 5887 1 1 1 1 121 LEU H 8.93 . 8.22 0.65 2.7470e-01 5887 1 1 1 1 121 LEU HA 4.28 . 4.32 0.47 9.3218e-01 5887 1 1 1 1 121 LEU HB2 1.73 . 1.63 0.34 7.6867e-01 5887 1 1 1 1 121 LEU HB3 1.35 . 1.57 0.36 5.4113e-01 5887 1 1 1 1 121 LEU HG 1.30 . 1.54 0.33 4.6706e-01 5887 1 1 1 1 121 LEU HD1 1.03 . 0.77 0.27 3.3557e-01 5887 1 1 1 1 121 LEU HD2 1.01 . 0.76 0.28 3.7193e-01 5887 1 1 1 1 121 LEU N 124.0 . 121.98 4.07 6.1967e-01 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score 5887 1 1 1 1 101 GLN ALA 0.29 5887 1 1 1 1 101 GLN ASN 0.24 5887 1 1 1 1 101 GLN ASP 0.12 5887 1 1 1 1 101 GLN CYS 0.05 5887 1 1 1 1 101 GLN LEU 0.05 5887 1 1 1 1 101 GLN MET 0.04 5887 1 1 1 1 101 GLN HIS 0.03 5887 1 1 1 1 101 GLN PRO 0.02 5887 1 1 1 1 101 GLN ARG 0.02 5887 1 1 1 1 101 GLN GLN 0.02 5887 1 1 1 1 101 GLN LYS 0.01 5887 1 1 1 1 101 GLN TRP 0.01 5887 1 1 1 1 101 GLN TYR 0.01 5887 1 1 1 1 101 GLN PHE 0.01 5887 1 1 1 1 121 LEU ALA 0.79 5887 1 1 1 1 121 LEU CYS 0.2 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5887 _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 5887 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 5887 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5887 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5887 _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_