data_AVS_bmrb_pdb_report_15591 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15591 _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 15591 1 1 1 1 48 GLN Anomalous Consistent Consistent Anomalous Consistent 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 15591 1 1 1 1 48 GLN C 174.955 . 176.39 1.96 4.6408e-01 15591 1 1 1 1 48 GLN CA 57.094 . 56.62 2.19 8.2865e-01 15591 1 1 1 1 48 GLN CB 26.066 . 29.1 1.97 1.2354e-01 15591 1 1 1 1 48 GLN CG 34.760 . 33.72 1.1 3.4443e-01 15591 1 1 1 1 48 GLN H 7.856 . 8.22 0.62 5.5714e-01 15591 1 1 1 1 48 GLN HA 4.032 . 4.28 0.44 5.7300e-01 15591 1 1 1 1 48 GLN HB2 2.374 . 2.05 0.28 2.4721e-01 15591 1 1 1 1 48 GLN HB3 2.587 . 2.04 0.29 5.9267e-02 15591 1 1 1 1 48 GLN HG2 2.006 . 2.32 0.29 2.7892e-01 15591 1 1 1 1 48 GLN HG3 2.075 . 2.32 0.29 3.9821e-01 15591 1 1 1 1 48 GLN HE21 4.541 M 7.17 0.46 1.0956e-08 15591 1 1 1 1 48 GLN HE22 6.204 . 7.07 0.49 7.7170e-02 15591 1 1 1 1 48 GLN N 115.695 . 119.92 4.01 2.9206e-01 15591 1 1 1 1 48 GLN NE2 107.602 . 111.81 2.2 5.5783e-02 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 15591 1 1 1 1 48 GLN LYS 0.44 15591 1 1 1 1 48 GLN GLN 0.25 15591 1 1 1 1 48 GLN GLU 0.1 15591 1 1 1 1 48 GLN ARG 0.08 15591 1 1 1 1 48 GLN ILE 0.06 15591 1 1 1 1 48 GLN MET 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15591 _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 15591 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 15591 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15591 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15591 _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_