data_AVS_bmrb_pdb_report_5850 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5850 _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 5850 1 1 1 1 17 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5850 1 1 1 1 21 CYS 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 5850 1 1 1 1 17 ARG CD 44.311 . 43.1 1.1 2.7094e-01 5850 1 1 1 1 17 ARG H 8.270 . 8.24 0.6 9.6012e-01 5850 1 1 1 1 17 ARG HD2 2.725 . 3.13 0.23 7.8261e-02 5850 1 1 1 1 17 ARG HD3 3.421 . 3.13 0.22 1.8593e-01 5850 1 1 1 1 17 ARG HH22 7.664 M 6.72 0.33 4.2283e-03 5850 1 1 1 1 17 ARG N 115.833 . 120.61 3.9 2.2062e-01 5850 1 1 1 1 21 CYS CA 63.044 . 57.43 3.41 9.9695e-02 5850 1 1 1 1 21 CYS CB 25.738 . 34.15 6.77 2.1404e-01 5850 1 1 1 1 21 CYS H 7.597 . 8.42 0.66 2.1241e-01 5850 1 1 1 1 21 CYS HA 3.172 . 4.73 0.57 6.2697e-03 5850 1 1 1 1 21 CYS HB2 0.209 M 2.95 0.43 1.8366e-10 5850 1 1 1 1 21 CYS HB3 2.365 . 2.98 0.45 1.7173e-01 5850 1 1 1 1 21 CYS N 114.932 . 119.95 4.79 2.9482e-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 5850 1 1 1 1 17 ARG GLY 0.37 5850 1 1 1 1 17 ARG LEU 0.23 5850 1 1 1 1 17 ARG ARG 0.21 5850 1 1 1 1 17 ARG CYS 0.1 5850 1 1 1 1 17 ARG PHE 0.02 5850 1 1 1 1 17 ARG ASP 0.02 5850 1 1 1 1 17 ARG TYR 0.01 5850 1 1 1 1 21 CYS ILE 0.46 5850 1 1 1 1 21 CYS PRO 0.36 5850 1 1 1 1 21 CYS CYS 0.08 5850 1 1 1 1 21 CYS VAL 0.03 5850 1 1 1 1 21 CYS ARG 0.01 5850 1 1 1 1 21 CYS LYS 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5850 _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 5850 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 5850 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5850 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5850 _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_