data_AVS_bmrb_pdb_report_30630 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30630 _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 4 DBB UNSUPPORTED . . . . . . . 30630 1 1 1 1 6 IAS UNSUPPORTED . . . . . . . 30630 1 1 1 1 11 DBB UNSUPPORTED . . . . . . . 30630 1 1 1 1 14 ALA Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 30630 1 1 1 1 18 ALA Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 30630 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 14 ALA H 8.0235 . 8.2 0.6 7.6863e-01 30630 1 1 1 1 14 ALA HA 4.4802 . 4.26 0.44 6.1675e-01 30630 1 1 1 1 14 ALA HB1 3.4106 A 1.35 0.26 2.2744e-15 30630 1 1 1 1 14 ALA HB2 3.1367 A 1.35 0.26 6.3342e-12 30630 1 1 1 1 14 ALA HB3 3.1367 A 1.35 0.26 6.3342e-12 30630 1 1 1 1 18 ALA H 7.9269 . 8.2 0.6 6.4899e-01 30630 1 1 1 1 18 ALA HA 4.6412 . 4.26 0.44 3.8629e-01 30630 1 1 1 1 18 ALA HB1 3.1551 A 1.35 0.26 3.8470e-12 30630 1 1 1 1 18 ALA HB2 3.0991 S 1.35 0.26 1.7283e-11 30630 1 1 1 1 18 ALA HB3 3.0991 S 1.35 0.26 1.7283e-11 30630 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30630 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 30630 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30630 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30630 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30630 _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_