data_AVS_bmrb_pdb_report_17955 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17955 _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 28 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17955 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 28 ARG C 178.348 . 176.41 2.03 3.3974e-01 17955 1 1 1 1 28 ARG CA 59.076 . 56.77 2.31 3.1815e-01 17955 1 1 1 1 28 ARG CB 29.761 . 30.7 1.83 6.0787e-01 17955 1 1 1 1 28 ARG CG 27.324 . 27.21 1.2 9.2432e-01 17955 1 1 1 1 28 ARG CD 43.156 . 43.16 0.88 9.9637e-01 17955 1 1 1 1 28 ARG H 8.082 . 8.24 0.61 7.9562e-01 17955 1 1 1 1 28 ARG HA 4.120 . 4.3 0.46 6.9557e-01 17955 1 1 1 1 28 ARG HB2 1.998 . 1.79 0.27 4.4108e-01 17955 1 1 1 1 28 ARG HB3 1.998 . 1.76 0.28 3.9533e-01 17955 1 1 1 1 28 ARG HG2 1.629 . 1.57 0.27 8.2703e-01 17955 1 1 1 1 28 ARG HG3 1.750 . 1.54 0.29 4.6898e-01 17955 1 1 1 1 28 ARG HD2 3.133 . 3.12 0.24 9.5680e-01 17955 1 1 1 1 28 ARG HD3 3.172 . 3.1 0.26 7.8184e-01 17955 1 1 1 1 28 ARG HH21 7.015 . 6.81 0.48 6.6932e-01 17955 1 1 1 1 28 ARG HH22 6.870 . 6.76 0.36 7.5994e-01 17955 1 1 1 1 28 ARG N 119.052 . 120.8 3.68 6.3479e-01 17955 1 1 1 1 28 ARG NH2 123.391 A 73.26 3.32 1.6267e-51 17955 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 28 ARG ARG 0.82 17955 1 1 1 1 28 ARG GLY 0.09 17955 1 1 1 1 28 ARG LYS 0.07 17955 1 1 1 1 28 ARG LEU 0.01 17955 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17955 _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 17955 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17955 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17955 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17955 _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_