data_AVS_bmrb_pdb_report_6601 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6601 _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 6 ARG Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 6601 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 6 ARG C 175.02 . 176.41 2.03 4.9352e-01 6601 1 1 1 1 6 ARG CA 53.259 . 56.77 2.31 1.2853e-01 6601 1 1 1 1 6 ARG CB 32.736 . 30.7 1.83 2.6589e-01 6601 1 1 1 1 6 ARG CG 27.351 . 27.21 1.2 9.0646e-01 6601 1 1 1 1 6 ARG CD 44.452 . 43.16 0.88 1.4205e-01 6601 1 1 1 1 6 ARG H 7.639 . 8.24 0.61 3.2450e-01 6601 1 1 1 1 6 ARG HA 4.447 . 4.3 0.46 7.4930e-01 6601 1 1 1 1 6 ARG HB2 0.735 S 1.79 0.27 9.3292e-05 6601 1 1 1 1 6 ARG HB3 -1.126 A 1.76 0.28 6.5417e-25 6601 1 1 1 1 6 ARG HG2 1.031 . 1.57 0.27 4.5902e-02 6601 1 1 1 1 6 ARG HG3 0.407 S 1.54 0.29 9.3489e-05 6601 1 1 1 1 6 ARG HD2 2.523 . 3.12 0.24 1.2864e-02 6601 1 1 1 1 6 ARG HD3 2.198 S 3.1 0.26 5.2195e-04 6601 1 1 1 1 6 ARG HE 7.175 . 7.4 0.63 7.2098e-01 6601 1 1 1 1 6 ARG N 121.109 . 120.8 3.68 9.3308e-01 6601 1 1 1 1 6 ARG NE 114.069 A 84.63 1.68 9.5287e-69 6601 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 6 ARG GLY 0.68 6601 1 1 1 1 6 ARG ARG 0.3 6601 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6601 _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 6601 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6601 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6601 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6601 _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_