data_AVS_bmrb_pdb_report_6895 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6895 _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 6895 1 1 1 1 45 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6895 1 1 1 1 101 VAL 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 6895 1 1 1 1 45 ASP CA 56.457 . 54.52 2.1 3.5633e-01 6895 1 1 1 1 45 ASP CB 39.777 . 40.7 1.67 5.8047e-01 6895 1 1 1 1 45 ASP H 7.413 . 8.33 0.57 1.0767e-01 6895 1 1 1 1 45 ASP HA 4.05 . 4.61 0.31 7.0848e-02 6895 1 1 1 1 45 ASP HB2 0.923 M 2.74 0.29 3.7159e-10 6895 1 1 1 1 45 ASP HB3 1.976 . 2.7 0.29 1.2541e-02 6895 1 1 1 1 45 ASP N 115.078 . 120.73 4.2 1.7839e-01 6895 1 1 1 1 101 VAL CA 60.873 . 62.48 3.04 5.9707e-01 6895 1 1 1 1 101 VAL CB 33.517 . 32.66 1.91 6.5365e-01 6895 1 1 1 1 101 VAL CG1 20.974 . 21.38 1.53 7.9073e-01 6895 1 1 1 1 101 VAL CG2 23.824 . 21.31 1.76 1.5317e-01 6895 1 1 1 1 101 VAL H 11.389 M 8.29 0.71 1.2725e-05 6895 1 1 1 1 101 VAL HA 5.013 . 4.16 0.57 1.3453e-01 6895 1 1 1 1 101 VAL HB 2.183 . 1.99 0.33 5.5865e-01 6895 1 1 1 1 101 VAL HG1 0.976 . 0.84 0.27 6.1447e-01 6895 1 1 1 1 101 VAL HG2 1 . 0.83 0.29 5.5774e-01 6895 1 1 1 1 101 VAL N 127.317 . 121.02 4.96 2.0424e-01 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 6895 1 1 1 1 45 ASP PHE 0.26 6895 1 1 1 1 45 ASP CYS 0.22 6895 1 1 1 1 45 ASP ASP 0.18 6895 1 1 1 1 45 ASP LEU 0.11 6895 1 1 1 1 45 ASP ASN 0.08 6895 1 1 1 1 45 ASP ILE 0.05 6895 1 1 1 1 45 ASP LYS 0.04 6895 1 1 1 1 45 ASP GLU 0.01 6895 1 1 1 1 101 VAL VAL 0.5 6895 1 1 1 1 101 VAL CYS 0.48 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6895 _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 6895 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 6895 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6895 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6895 _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_