data_AVS_bmrb_pdb_report_17289 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17289 _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 78 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17289 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 17289 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 78 VAL CA 64.131 . 62.48 3.04 5.8707e-01 17289 1 1 1 1 78 VAL CB 30.776 . 32.66 1.91 3.2394e-01 17289 1 1 1 1 78 VAL CG1 21.758 . 21.38 1.53 8.0486e-01 17289 1 1 1 1 78 VAL CG2 20.371 . 21.31 1.76 5.9367e-01 17289 1 1 1 1 78 VAL H 7.296 . 8.29 0.71 1.6151e-01 17289 1 1 1 1 78 VAL HA 1.582 A 4.16 0.57 6.1025e-06 17289 1 1 1 1 78 VAL HB 1.383 . 1.99 0.33 6.5857e-02 17289 1 1 1 1 78 VAL HG11 0.384 . 0.84 0.27 9.1241e-02 17289 1 1 1 1 78 VAL HG12 0.384 . 0.84 0.27 9.1241e-02 17289 1 1 1 1 78 VAL HG13 0.384 . 0.84 0.27 9.1241e-02 17289 1 1 1 1 78 VAL HG21 -0.289 S 0.83 0.29 1.1403e-04 17289 1 1 1 1 78 VAL HG22 -0.289 S 0.83 0.29 1.1403e-04 17289 1 1 1 1 78 VAL HG23 -0.289 S 0.83 0.29 1.1403e-04 17289 1 1 1 1 78 VAL N 120.053 . 121.02 4.96 8.4542e-01 17289 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 1 78 VAL VAL 0.86 17289 1 1 1 1 78 VAL CYS 0.13 17289 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17289 _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.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 17289 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17289 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17289 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17289 _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_