data_AVS_bmrb_pdb_report_17176 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17176 _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 1 100 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17176 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 1 100 GLN C 175.3 . 176.39 1.96 5.7813e-01 17176 1 1 1 1 100 GLN CA 53.5 . 56.62 2.19 1.5426e-01 17176 1 1 1 1 100 GLN CB 34.2 . 29.1 1.97 9.6302e-03 17176 1 1 1 1 100 GLN CG 34.6 . 33.72 1.1 4.2371e-01 17176 1 1 1 1 100 GLN CD 179.4 . 179.68 1.17 8.1086e-01 17176 1 1 1 1 100 GLN H 9.29 . 8.22 0.62 8.4382e-02 17176 1 1 1 1 100 GLN HA 6.34 A 4.28 0.44 2.8434e-06 17176 1 1 1 1 100 GLN HB2 2.20 . 2.05 0.28 5.9216e-01 17176 1 1 1 1 100 GLN HB3 2.55 . 2.04 0.29 7.8642e-02 17176 1 1 1 1 100 GLN HG2 2.04 . 2.32 0.29 3.3429e-01 17176 1 1 1 1 100 GLN HG3 2.19 . 2.32 0.29 6.5395e-01 17176 1 1 1 1 100 GLN HE21 7.40 . 7.17 0.46 6.1707e-01 17176 1 1 1 1 100 GLN HE22 6.70 . 7.07 0.49 4.5019e-01 17176 1 1 1 1 100 GLN N 121.0 . 119.92 4.01 7.8768e-01 17176 1 1 1 1 100 GLN NE2 111.1 . 111.81 2.2 7.4690e-01 17176 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 1 100 GLN CYS 0.83 17176 1 1 1 1 100 GLN GLN 0.08 17176 1 1 1 1 100 GLN GLU 0.04 17176 1 1 1 1 100 GLN ASN 0.03 17176 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17176 _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 17176 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17176 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17176 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17176 _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_