data_AVS_bmrb_pdb_report_1734 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 1734 _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 1734 1 1 1 1 25 PRO Anomalous Suspicious Consistent Anomalous Anomalous Indeterminable . . 1734 1 1 1 1 61 MET Anomalous Suspicious Consistent Anomalous Anomalous Indeterminable . . 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 1734 1 1 1 1 25 PRO CD 61.5 M 50.28 1.04 3.9027e-27 1734 1 1 1 1 25 PRO HD2 -2.57 M 3.64 0.36 1.1190e-66 1734 1 1 1 1 25 PRO HD3 -2.57 M 3.63 0.4 3.4689e-54 1734 1 1 1 1 61 MET CB .2 M 32.9 2.23 1.1014e-48 1734 1 1 1 1 61 MET CE 68.1 M 17.21 3.42 4.4372e-50 1734 1 1 1 1 61 MET HB2 .83 . 2.03 0.38 1.5891e-03 1734 1 1 1 1 61 MET HB3 5.26 M 2.01 0.36 1.7519e-19 1734 1 1 1 1 61 MET HE -16.38 M 1.86 0.47 0.0000e+00 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 1734 1 1 1 1 25 PRO ILE 0.27 1734 1 1 1 1 25 PRO THR 0.23 1734 1 1 1 1 25 PRO VAL 0.21 1734 1 1 1 1 25 PRO PHE 0.06 1734 1 1 1 1 25 PRO TYR 0.05 1734 1 1 1 1 25 PRO SER 0.04 1734 1 1 1 1 25 PRO TRP 0.04 1734 1 1 1 1 25 PRO GLU 0.01 1734 1 1 1 1 25 PRO ARG 0.01 1734 1 1 1 1 25 PRO LYS 0.01 1734 1 1 1 1 61 MET ILE 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 1734 _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 1734 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 1734 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 1734 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 1734 _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_