data_AVS_bmrb_pdb_report_19043 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19043 _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 27 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19043 1 1 1 2 25 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19043 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 27 ARG C 177.863 . 176.41 2.03 4.7414e-01 19043 1 1 1 1 27 ARG CA 60.630 . 56.77 2.31 9.4723e-02 19043 1 1 1 1 27 ARG CB 29.644 . 30.7 1.83 5.6391e-01 19043 1 1 1 1 27 ARG CG 26.172 . 27.21 1.2 3.8704e-01 19043 1 1 1 1 27 ARG CD 42.807 . 43.16 0.88 6.8832e-01 19043 1 1 1 1 27 ARG H 8.548 . 8.24 0.61 6.1362e-01 19043 1 1 1 1 27 ARG HA 3.786 . 4.3 0.46 2.6383e-01 19043 1 1 1 1 27 ARG HB2 1.851 . 1.79 0.27 8.2126e-01 19043 1 1 1 1 27 ARG HB3 1.850 . 1.76 0.28 7.4789e-01 19043 1 1 1 1 27 ARG HG2 1.672 . 1.57 0.27 7.0560e-01 19043 1 1 1 1 27 ARG HG3 1.363 . 1.54 0.29 5.4163e-01 19043 1 1 1 1 27 ARG HD2 3.271 . 3.12 0.24 5.2924e-01 19043 1 1 1 1 27 ARG HD3 3.086 . 3.1 0.26 9.5706e-01 19043 1 1 1 1 27 ARG HE 7.493 . 7.4 0.63 8.8264e-01 19043 1 1 1 1 27 ARG N 119.454 . 120.8 3.68 7.1454e-01 19043 1 1 1 1 27 ARG NE 108.029 A 84.63 1.68 4.2832e-44 19043 1 1 1 2 25 ARG C 179.564 . 176.41 2.03 1.2026e-01 19043 1 1 1 2 25 ARG CA 59.683 . 56.77 2.31 2.0729e-01 19043 1 1 1 2 25 ARG CB 29.491 . 30.7 1.83 5.0883e-01 19043 1 1 1 2 25 ARG CG 27.483 . 27.21 1.2 8.2003e-01 19043 1 1 1 2 25 ARG CD 43.256 . 43.16 0.88 9.1313e-01 19043 1 1 1 2 25 ARG H 8.604 . 8.24 0.61 5.5069e-01 19043 1 1 1 2 25 ARG HA 3.863 . 4.3 0.46 3.4211e-01 19043 1 1 1 2 25 ARG HB2 1.798 . 1.79 0.27 9.7636e-01 19043 1 1 1 2 25 ARG HB3 1.799 . 1.76 0.28 8.8922e-01 19043 1 1 1 2 25 ARG HG2 1.668 . 1.57 0.27 7.1663e-01 19043 1 1 1 2 25 ARG HG3 1.540 . 1.54 0.29 1.0000e+00 19043 1 1 1 2 25 ARG HD2 3.156 . 3.12 0.24 8.8076e-01 19043 1 1 1 2 25 ARG HD3 3.156 . 3.1 0.26 8.2947e-01 19043 1 1 1 2 25 ARG HE 7.271 . 7.4 0.63 8.3776e-01 19043 1 1 1 2 25 ARG N 123.822 . 120.8 3.68 4.1154e-01 19043 1 1 1 2 25 ARG NE 111.135 A 84.63 1.68 4.4950e-56 19043 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 27 ARG ARG 0.58 19043 1 1 1 1 27 ARG LYS 0.31 19043 1 1 1 1 27 ARG GLY 0.08 19043 1 1 1 1 27 ARG LEU 0.01 19043 1 1 1 2 25 ARG ARG 0.8 19043 1 1 1 2 25 ARG GLY 0.13 19043 1 1 1 2 25 ARG LYS 0.05 19043 1 1 1 2 25 ARG LEU 0.01 19043 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19043 _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 19043 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19043 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19043 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19043 _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_