data_AVS_bmrb_pdb_report_6594 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6594 _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 6594 1 1 1 1 37 ARG 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 6594 1 1 1 1 37 ARG C 175.40 . 176.49 2.16 6.1382e-01 6594 1 1 1 1 37 ARG CA 56.20 . 56.95 2.41 7.5565e-01 6594 1 1 1 1 37 ARG CB 31.70 . 30.66 1.77 5.5682e-01 6594 1 1 1 1 37 ARG CG 26.20 . 27.31 1.65 5.0112e-01 6594 1 1 1 1 37 ARG CD 43.60 . 43.1 1.1 6.4944e-01 6594 1 1 1 1 37 ARG H 7.82 . 8.24 0.6 4.8393e-01 6594 1 1 1 1 37 ARG HA 3.42 . 4.27 0.44 5.3382e-02 6594 1 1 1 1 37 ARG HB2 0.98 . 1.79 0.28 3.8175e-03 6594 1 1 1 1 37 ARG HB3 0.70 S 1.78 0.28 1.1472e-04 6594 1 1 1 1 37 ARG HG2 0.69 S 1.58 0.27 9.7969e-04 6594 1 1 1 1 37 ARG HG3 -0.56 M 1.58 0.27 2.2645e-15 6594 1 1 1 1 37 ARG HD2 2.69 . 3.13 0.23 5.5743e-02 6594 1 1 1 1 37 ARG HD3 2.46 . 3.13 0.22 2.3233e-03 6594 1 1 1 1 37 ARG N 118.70 . 120.61 3.9 6.2432e-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 6594 1 1 1 1 37 ARG ARG 0.38 6594 1 1 1 1 37 ARG CYS 0.38 6594 1 1 1 1 37 ARG LYS 0.13 6594 1 1 1 1 37 ARG GLY 0.09 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6594 _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 6594 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 6594 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6594 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6594 _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_