data_AVS_bmrb_pdb_report_18735 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18735 _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 69 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18735 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 69 ARG C 177.717 . 176.41 2.03 5.1968e-01 18735 1 1 1 1 69 ARG CA 58.595 . 56.77 2.31 4.2950e-01 18735 1 1 1 1 69 ARG CB 29.483 . 30.7 1.83 5.0603e-01 18735 1 1 1 1 69 ARG CG 26.510 . 27.21 1.2 5.5967e-01 18735 1 1 1 1 69 ARG CD 42.526 . 43.16 0.88 4.7125e-01 18735 1 1 1 1 69 ARG H 8.231 . 8.24 0.61 9.8823e-01 18735 1 1 1 1 69 ARG HA 3.716 . 4.3 0.46 2.0424e-01 18735 1 1 1 1 69 ARG HB2 1.493 . 1.79 0.27 2.7133e-01 18735 1 1 1 1 69 ARG HB3 1.819 . 1.76 0.28 8.3311e-01 18735 1 1 1 1 69 ARG HG2 1.293 . 1.57 0.27 3.0493e-01 18735 1 1 1 1 69 ARG HG3 1.424 . 1.54 0.29 6.8916e-01 18735 1 1 1 1 69 ARG HD2 2.108 S 3.12 0.24 2.4794e-05 18735 1 1 1 1 69 ARG HD3 2.527 . 3.1 0.26 2.7535e-02 18735 1 1 1 1 69 ARG HE 6.816 . 7.4 0.63 3.5393e-01 18735 1 1 1 1 69 ARG HH11 5.920 . 6.91 0.46 3.1384e-02 18735 1 1 1 1 69 ARG HH12 5.920 A 6.8 0.33 7.6608e-03 18735 1 1 1 1 69 ARG HH21 5.920 . 6.81 0.48 6.3716e-02 18735 1 1 1 1 69 ARG HH22 5.920 A 6.76 0.36 1.9631e-02 18735 1 1 1 1 69 ARG N 118.726 . 120.8 3.68 5.7304e-01 18735 1 1 1 1 69 ARG NE 85.675 . 84.63 1.68 5.3393e-01 18735 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 69 ARG CYS 0.39 18735 1 1 1 1 69 ARG ARG 0.34 18735 1 1 1 1 69 ARG LYS 0.22 18735 1 1 1 1 69 ARG LEU 0.02 18735 1 1 1 1 69 ARG GLY 0.01 18735 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18735 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 18735 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18735 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18735 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18735 _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_