data_AVS_bmrb_pdb_report_6280 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6280 _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 6280 1 1 1 1 123 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6280 1 1 1 1 277 ALA 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 6280 1 1 1 1 123 ALA CA 53.3 . 53.16 2.06 9.4582e-01 6280 1 1 1 1 123 ALA CB 18.7 . 18.9 1.85 9.1391e-01 6280 1 1 1 1 123 ALA H 7.71 . 8.2 0.6 4.1412e-01 6280 1 1 1 1 123 ALA HA 1.754 M 4.26 0.42 2.4215e-09 6280 1 1 1 1 123 ALA HB 0.6713 . 1.38 0.25 4.5854e-03 6280 1 1 1 1 123 ALA N 122.90 . 123.23 3.7 9.2893e-01 6280 1 1 1 1 277 ALA CA 53.8 . 53.16 2.06 7.5604e-01 6280 1 1 1 1 277 ALA CB 19.1 . 18.9 1.85 9.1391e-01 6280 1 1 1 1 277 ALA H 7.48 . 8.2 0.6 2.3014e-01 6280 1 1 1 1 277 ALA HA 1.842 M 4.26 0.42 8.5550e-09 6280 1 1 1 1 277 ALA HB 0.6397 . 1.38 0.25 3.0644e-03 6280 1 1 1 1 277 ALA N 124.60 . 123.23 3.7 7.1118e-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 6280 1 1 1 1 123 ALA ALA 0.68 6280 1 1 1 1 123 ALA MET 0.29 6280 1 1 1 1 277 ALA ALA 0.63 6280 1 1 1 1 277 ALA MET 0.34 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6280 _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 6280 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 6280 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6280 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6280 _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_