data_AVS_bmrb_pdb_report_6353 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6353 _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 6353 1 1 1 1 26 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 6353 1 1 1 1 68 SER 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 6353 1 1 1 1 26 PRO CA 68.2 M 63.3 1.64 2.8099e-03 6353 1 1 1 1 26 PRO CB 32.7 . 31.81 1.54 5.6332e-01 6353 1 1 1 1 26 PRO CG 26.6 . 27.14 1.18 6.4722e-01 6353 1 1 1 1 26 PRO CD 51.6 . 50.28 1.04 2.0436e-01 6353 1 1 1 1 26 PRO HA 4.42 . 4.41 0.36 9.7784e-01 6353 1 1 1 1 26 PRO HB2 1.63 . 2.05 0.39 2.8151e-01 6353 1 1 1 1 26 PRO HB3 2.12 . 2.05 0.39 8.5756e-01 6353 1 1 1 1 26 PRO HG2 1.91 . 1.93 0.36 9.5570e-01 6353 1 1 1 1 26 PRO HG3 2.02 . 1.92 0.37 7.8695e-01 6353 1 1 1 1 26 PRO HD2 4.01 . 3.64 0.36 3.0405e-01 6353 1 1 1 1 26 PRO HD3 3.56 . 3.63 0.4 8.6108e-01 6353 1 1 1 1 68 SER CA 57.3 . 58.57 2.12 5.4914e-01 6353 1 1 1 1 68 SER CB 66.6 . 63.8 1.57 7.4515e-02 6353 1 1 1 1 68 SER H 9.37 . 8.29 0.62 8.1520e-02 6353 1 1 1 1 68 SER HA 4.67 . 4.51 0.43 7.0982e-01 6353 1 1 1 1 68 SER HB2 5.01 M 3.88 0.29 9.7572e-05 6353 1 1 1 1 68 SER HB3 5.01 M 3.87 0.31 2.3561e-04 6353 1 1 1 1 68 SER N 125.6 . 116.3 3.95 1.8551e-02 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 6353 1 1 1 1 26 PRO CYS 0.89 6353 1 1 1 1 26 PRO PRO 0.1 6353 1 1 1 1 68 SER SER 0.8 6353 1 1 1 1 68 SER THR 0.19 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6353 _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 6353 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 6353 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6353 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6353 _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_