data_AVS_bmrb_pdb_report_4349 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4349 _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 2 13 ALA Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 0.9996 4349 1 1 1 2 112 THR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 4349 1 1 1 3 1 NPO UNSUPPORTED . . . . . . . 4349 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 2 13 ALA C 49.3 A 177.74 2.13 0.0000e+00 4349 1 1 1 2 13 ALA CA 59.9 S 53.14 1.98 6.3983e-04 4349 1 1 1 2 13 ALA CB 17.9 . 19.01 1.83 5.4414e-01 4349 1 1 1 2 13 ALA H 7.96 . 8.2 0.6 6.8916e-01 4349 1 1 1 2 13 ALA HA 4.92 . 4.26 0.44 1.3361e-01 4349 1 1 1 2 13 ALA N 127 . 123.23 3.54 2.8689e-01 4349 1 1 1 2 112 THR C 171.6 . 174.54 1.76 9.4829e-02 4349 1 1 1 2 112 THR CA 59.9 . 62.22 2.59 3.7038e-01 4349 1 1 1 2 112 THR CB 20.6 A 69.73 1.63 0.0000e+00 4349 1 1 1 2 112 THR H 8.57 . 8.24 0.62 5.9455e-01 4349 1 1 1 2 112 THR HA 4.68 . 4.46 0.48 6.4671e-01 4349 1 1 1 2 112 THR N 118.6 . 115.42 4.75 5.0319e-01 4349 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 2 13 ALA ILE 0.7 4349 1 1 1 2 13 ALA MET 0.18 4349 1 1 1 2 13 ALA VAL 0.05 4349 1 1 1 2 13 ALA CYS 0.04 4349 1 1 1 2 112 THR VAL 0.72 4349 1 1 1 2 112 THR CYS 0.15 4349 1 1 1 2 112 THR ILE 0.07 4349 1 1 1 2 112 THR MET 0.02 4349 1 1 1 2 112 THR LEU 0.02 4349 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4349 _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 4349 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4349 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4349 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4349 _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_