data_AVS_bmrb_pdb_report_17284 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17284 _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 36 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17284 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 36 VAL C 169.684 . 175.62 1.9 1.7828e-03 17284 1 1 1 1 36 VAL CA 58.968 . 62.49 2.86 2.1815e-01 17284 1 1 1 1 36 VAL CB 35.565 . 32.73 1.79 1.1324e-01 17284 1 1 1 1 36 VAL CG1 18.561 . 21.49 1.36 3.1266e-02 17284 1 1 1 1 36 VAL CG2 21.694 . 21.26 1.56 7.8085e-01 17284 1 1 1 1 36 VAL H 7.296 . 8.29 0.67 1.3792e-01 17284 1 1 1 1 36 VAL HA 4.764 . 4.19 0.58 3.2234e-01 17284 1 1 1 1 36 VAL HB 1.844 . 1.98 0.32 6.7084e-01 17284 1 1 1 1 36 VAL HG11 0.578 . 0.83 0.26 3.3243e-01 17284 1 1 1 1 36 VAL HG12 0.578 . 0.83 0.26 3.3243e-01 17284 1 1 1 1 36 VAL HG13 0.578 . 0.83 0.26 3.3243e-01 17284 1 1 1 1 36 VAL HG21 56.56 A 0.8 0.28 0.0000e+00 17284 1 1 1 1 36 VAL HG22 56.56 A 0.8 0.28 0.0000e+00 17284 1 1 1 1 36 VAL HG23 56.56 A 0.8 0.28 0.0000e+00 17284 1 1 1 1 36 VAL N 115.121 . 121.14 4.54 1.8492e-01 17284 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 36 VAL VAL 0.96 17284 1 1 1 1 36 VAL ILE 0.03 17284 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17284 _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 17284 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17284 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17284 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17284 _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_