data_AVS_bmrb_pdb_report_15671 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15671 _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 32 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 15671 1 1 1 1 35 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15671 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 15671 1 1 1 3 4 M3L UNSUPPORTED . . . . . . . 15671 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 32 PRO CA 64.383 . 63.3 1.64 5.0902e-01 15671 1 1 1 1 32 PRO CB 30.222 . 31.81 1.54 3.0246e-01 15671 1 1 1 1 32 PRO CG 27.680 . 27.14 1.18 6.4722e-01 15671 1 1 1 1 32 PRO CD 50.044 . 50.28 1.04 8.2048e-01 15671 1 1 1 1 32 PRO HA 4.488 . 4.41 0.36 8.2847e-01 15671 1 1 1 1 32 PRO HB2 0.295 S 2.05 0.39 6.7953e-06 15671 1 1 1 1 32 PRO HB3 -0.158 A 2.05 0.39 1.5002e-08 15671 1 1 1 1 32 PRO HG2 1.308 . 1.93 0.36 8.4028e-02 15671 1 1 1 1 32 PRO HG3 1.352 . 1.92 0.37 1.2475e-01 15671 1 1 1 1 32 PRO HD2 3.621 . 3.64 0.36 9.5791e-01 15671 1 1 1 1 32 PRO HD3 3.468 . 3.63 0.4 6.8548e-01 15671 1 1 1 1 35 GLY CA 42.848 . 45.33 1.42 8.0484e-02 15671 1 1 1 1 35 GLY H 7.558 . 8.34 0.74 2.9062e-01 15671 1 1 1 1 35 GLY HA2 3.697 . 3.95 0.4 5.2706e-01 15671 1 1 1 1 35 GLY HA3 1.044 A 3.93 0.4 5.3934e-13 15671 1 1 1 1 35 GLY N 115.216 . 109.91 4.29 2.1615e-01 15671 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 32 PRO PRO 0.87 15671 1 1 1 1 32 PRO CYS 0.11 15671 1 1 1 1 35 GLY ARG 0.3 15671 1 1 1 1 35 GLY LEU 0.29 15671 1 1 1 1 35 GLY LYS 0.1 15671 1 1 1 1 35 GLY CYS 0.07 15671 1 1 1 1 35 GLY ASP 0.07 15671 1 1 1 1 35 GLY PHE 0.05 15671 1 1 1 1 35 GLY TYR 0.03 15671 1 1 1 1 35 GLY GLY 0.02 15671 1 1 1 1 35 GLY ILE 0.01 15671 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15671 _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 15671 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15671 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15671 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15671 _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_