data_AVS_bmrb_pdb_report_17597 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17597 _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 1 146 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17597 1 1 1 1 254 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17597 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 1 146 TRP CB 32.8 . 30.16 2.19 2.2802e-01 17597 1 1 1 1 146 TRP CD1 128.0 . 126.16 1.76 2.9581e-01 17597 1 1 1 1 146 TRP HD1 5.59 A 7.16 0.34 3.8812e-06 17597 1 1 1 1 146 TRP HE1 9.69 . 10.13 0.53 4.0643e-01 17597 1 1 1 1 146 TRP NE1 128.3 . 129.48 2.56 6.4484e-01 17597 1 1 1 1 254 VAL C 174.6 . 175.69 2.03 5.9130e-01 17597 1 1 1 1 254 VAL CA 57.9 . 62.48 3.04 1.3192e-01 17597 1 1 1 1 254 VAL CB 34.5 . 32.66 1.91 3.3537e-01 17597 1 1 1 1 254 VAL CG1 23.1 . 21.38 1.53 2.6094e-01 17597 1 1 1 1 254 VAL CG2 17.8 . 21.31 1.76 4.6117e-02 17597 1 1 1 1 254 VAL H 8.80 . 8.29 0.71 4.7257e-01 17597 1 1 1 1 254 VAL HA 6.17 A 4.16 0.57 4.2138e-04 17597 1 1 1 1 254 VAL HG11 1.42 . 0.84 0.27 3.1702e-02 17597 1 1 1 1 254 VAL HG12 1.42 . 0.84 0.27 3.1702e-02 17597 1 1 1 1 254 VAL HG13 1.42 . 0.84 0.27 3.1702e-02 17597 1 1 1 1 254 VAL HG21 1.02 . 0.83 0.29 5.1236e-01 17597 1 1 1 1 254 VAL HG22 1.02 . 0.83 0.29 5.1236e-01 17597 1 1 1 1 254 VAL HG23 1.02 . 0.83 0.29 5.1236e-01 17597 1 1 1 1 254 VAL N 112.4 . 121.02 4.96 8.2228e-02 17597 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 1 146 TRP HIS 0.51 17597 1 1 1 1 146 TRP TRP 0.46 17597 1 1 1 1 146 TRP TYR 0.01 17597 1 1 1 1 254 VAL CYS 0.84 17597 1 1 1 1 254 VAL VAL 0.06 17597 1 1 1 1 254 VAL ALA 0.05 17597 1 1 1 1 254 VAL ILE 0.04 17597 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17597 _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 17597 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17597 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17597 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17597 _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_