data_AVS_bmrb_pdb_report_5616 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5616 _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 5616 1 1 1 1 74 ARG Anomalous Suspicious Consistent Consistent Anomalous 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 5616 1 1 1 1 74 ARG CA 55.338 . 56.95 2.41 5.0357e-01 5616 1 1 1 1 74 ARG CB 24.006 M 30.66 1.77 1.7037e-04 5616 1 1 1 1 74 ARG CG 25.261 . 27.31 1.65 2.1430e-01 5616 1 1 1 1 74 ARG CD 40.783 . 43.1 1.1 3.5173e-02 5616 1 1 1 1 74 ARG H 8.203 . 8.24 0.6 9.5083e-01 5616 1 1 1 1 74 ARG HA 3.657 . 4.27 0.44 1.6356e-01 5616 1 1 1 1 74 ARG HB2 2.096 . 1.79 0.28 2.7446e-01 5616 1 1 1 1 74 ARG HB3 1.959 . 1.78 0.28 5.2264e-01 5616 1 1 1 1 74 ARG HG2 1.405 . 1.58 0.27 5.1689e-01 5616 1 1 1 1 74 ARG HD2 3.058 . 3.13 0.23 7.5425e-01 5616 1 1 1 1 74 ARG HD3 3.054 . 3.13 0.22 7.2975e-01 5616 1 1 1 1 74 ARG HE 7.020 . 7.32 0.52 5.6399e-01 5616 1 1 1 1 74 ARG N 115.424 . 120.61 3.9 1.8360e-01 5616 1 1 1 1 74 ARG NE 113.748 . 89.8 12.83 6.1963e-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 5616 1 1 1 1 74 ARG LEU 0.9 5616 1 1 1 1 74 ARG LYS 0.07 5616 1 1 1 1 74 ARG ALA 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5616 _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 5616 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 5616 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5616 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5616 _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_