data_AVS_bmrb_pdb_report_6957 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6957 _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 6957 1 1 1 1 10 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 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 6957 1 1 1 1 10 ARG C 178.673 . 176.49 2.16 3.1218e-01 6957 1 1 1 1 10 ARG CA 60.633 . 56.95 2.41 1.2646e-01 6957 1 1 1 1 10 ARG CB 29.572 . 30.66 1.77 5.3876e-01 6957 1 1 1 1 10 ARG CG 26.013 . 27.31 1.65 4.3183e-01 6957 1 1 1 1 10 ARG CD 42.838 . 43.1 1.1 8.1174e-01 6957 1 1 1 1 10 ARG H 8.426 . 8.24 0.6 7.5656e-01 6957 1 1 1 1 10 ARG HA 2.733 S 4.27 0.44 4.7730e-04 6957 1 1 1 1 10 ARG HB2 0.295 S 1.79 0.28 9.3313e-08 6957 1 1 1 1 10 ARG HB3 1.502 . 1.78 0.28 3.2078e-01 6957 1 1 1 1 10 ARG HG2 0.604 S 1.58 0.27 3.0056e-04 6957 1 1 1 1 10 ARG HG3 -0.750 M 1.58 0.27 6.1551e-18 6957 1 1 1 1 10 ARG HD2 3.183 . 3.13 0.23 8.1775e-01 6957 1 1 1 1 10 ARG HD3 2.608 . 3.13 0.22 1.7657e-02 6957 1 1 1 1 10 ARG HE 8.632 . 7.32 0.52 1.1633e-02 6957 1 1 1 1 10 ARG N 123.793 . 120.61 3.9 4.1441e-01 6957 1 1 1 1 10 ARG NE 113.446 . 89.8 12.83 6.5326e-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 6957 1 1 1 1 10 ARG CYS 0.36 6957 1 1 1 1 10 ARG ARG 0.35 6957 1 1 1 1 10 ARG LYS 0.2 6957 1 1 1 1 10 ARG GLY 0.05 6957 1 1 1 1 10 ARG LEU 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6957 _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 6957 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 6957 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6957 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6957 _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_