data_AVS_bmrb_pdb_report_16564 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16564 _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 72 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16564 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 72 ARG C 177.9 . 176.41 2.03 4.6295e-01 16564 1 1 1 1 72 ARG CA 60.0 . 56.77 2.31 1.6203e-01 16564 1 1 1 1 72 ARG CB 28.3 . 30.7 1.83 1.8970e-01 16564 1 1 1 1 72 ARG CG 25.7 . 27.21 1.2 2.0827e-01 16564 1 1 1 1 72 ARG CD 43.2 . 43.16 0.88 9.6375e-01 16564 1 1 1 1 72 ARG CZ 158.8 . 159.97 2.95 6.9165e-01 16564 1 1 1 1 72 ARG H 8.12 . 8.24 0.61 8.4405e-01 16564 1 1 1 1 72 ARG HA 3.08 . 4.3 0.46 7.9975e-03 16564 1 1 1 1 72 ARG HB2 -0.21 S 1.79 0.27 1.2879e-13 16564 1 1 1 1 72 ARG HB3 1.34 . 1.76 0.28 1.3361e-01 16564 1 1 1 1 72 ARG HG2 -0.74 A 1.57 0.27 1.1730e-17 16564 1 1 1 1 72 ARG HG3 0.84 . 1.54 0.29 1.5787e-02 16564 1 1 1 1 72 ARG HD2 2.28 S 3.12 0.24 4.6526e-04 16564 1 1 1 1 72 ARG HD3 2.77 . 3.1 0.26 2.0436e-01 16564 1 1 1 1 72 ARG HE 7.46 . 7.4 0.63 9.2413e-01 16564 1 1 1 1 72 ARG N 118.8 . 120.8 3.68 5.8680e-01 16564 1 1 1 1 72 ARG NE 85.2 . 84.63 1.68 7.3439e-01 16564 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 72 ARG CYS 0.59 16564 1 1 1 1 72 ARG ARG 0.31 16564 1 1 1 1 72 ARG GLY 0.09 16564 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16564 _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 16564 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16564 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16564 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16564 _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_