data_AVS_bmrb_pdb_report_16610 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16610 _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 25 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16610 1 1 1 1 44 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 16610 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 25 ARG C 176.326 . 176.41 2.03 9.6699e-01 16610 1 1 1 1 25 ARG CA 57.035 . 56.77 2.31 9.0867e-01 16610 1 1 1 1 25 ARG CB 33.505 . 30.7 1.83 1.2533e-01 16610 1 1 1 1 25 ARG CG 29.076 . 27.21 1.2 1.1995e-01 16610 1 1 1 1 25 ARG CD 43.490 . 43.16 0.88 7.0766e-01 16610 1 1 1 1 25 ARG H 8.807 . 8.24 0.61 3.5263e-01 16610 1 1 1 1 25 ARG HA 4.679 . 4.3 0.46 4.0999e-01 16610 1 1 1 1 25 ARG HB2 1.200 . 1.79 0.27 2.8875e-02 16610 1 1 1 1 25 ARG HB3 1.791 . 1.76 0.28 9.1184e-01 16610 1 1 1 1 25 ARG HG2 1.773 . 1.57 0.27 4.5214e-01 16610 1 1 1 1 25 ARG HG3 1.730 . 1.54 0.29 5.1236e-01 16610 1 1 1 1 25 ARG HD2 3.304 . 3.12 0.24 4.4328e-01 16610 1 1 1 1 25 ARG HD3 3.236 . 3.1 0.26 6.0092e-01 16610 1 1 1 1 25 ARG HE 7.113 . 7.4 0.63 6.4871e-01 16610 1 1 1 1 25 ARG N 121.664 . 120.8 3.68 8.1438e-01 16610 1 1 1 1 25 ARG NE 118.128 A 84.63 1.68 1.8570e-88 16610 1 1 1 1 44 ARG C 175.909 . 176.41 2.03 8.0506e-01 16610 1 1 1 1 44 ARG CA 57.229 . 56.77 2.31 8.4250e-01 16610 1 1 1 1 44 ARG CB 29.561 . 30.7 1.83 5.3368e-01 16610 1 1 1 1 44 ARG CG 25.958 . 27.21 1.2 2.9679e-01 16610 1 1 1 1 44 ARG CD 43.500 . 43.16 0.88 6.9923e-01 16610 1 1 1 1 44 ARG H 8.998 . 8.24 0.61 2.1401e-01 16610 1 1 1 1 44 ARG HA 4.354 . 4.3 0.46 9.0655e-01 16610 1 1 1 1 44 ARG HB2 2.061 . 1.79 0.27 3.1552e-01 16610 1 1 1 1 44 ARG HB3 1.181 . 1.76 0.28 3.8653e-02 16610 1 1 1 1 44 ARG HG2 1.397 . 1.57 0.27 5.2169e-01 16610 1 1 1 1 44 ARG HG3 0.820 . 1.54 0.29 1.3037e-02 16610 1 1 1 1 44 ARG HD2 2.782 . 3.12 0.24 1.5903e-01 16610 1 1 1 1 44 ARG HD3 2.159 S 3.1 0.26 2.9548e-04 16610 1 1 1 1 44 ARG HE 7.677 . 7.4 0.63 6.6017e-01 16610 1 1 1 1 44 ARG N 131.650 . 120.8 3.68 3.1945e-03 16610 1 1 1 1 44 ARG NE 118.385 A 84.63 1.68 0.0000e+00 16610 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 25 ARG CYS 0.51 16610 1 1 1 1 25 ARG LYS 0.22 16610 1 1 1 1 25 ARG ARG 0.16 16610 1 1 1 1 25 ARG GLY 0.09 16610 1 1 1 1 44 ARG CYS 0.38 16610 1 1 1 1 44 ARG ARG 0.36 16610 1 1 1 1 44 ARG LYS 0.12 16610 1 1 1 1 44 ARG GLY 0.07 16610 1 1 1 1 44 ARG LEU 0.04 16610 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16610 _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 16610 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16610 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16610 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16610 _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_