data_AVS_bmrb_pdb_report_16316 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16316 _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 11 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16316 1 1 1 1 33 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16316 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 11 ARG C 174.6 . 176.41 2.03 3.7259e-01 16316 1 1 1 1 11 ARG CA 55.0 . 56.77 2.31 4.4354e-01 16316 1 1 1 1 11 ARG CB 31.2 . 30.7 1.83 7.8468e-01 16316 1 1 1 1 11 ARG CG 27.5 . 27.21 1.2 8.0904e-01 16316 1 1 1 1 11 ARG CD 43.7 . 43.16 0.88 5.3946e-01 16316 1 1 1 1 11 ARG H 8.30 . 8.24 0.61 9.2165e-01 16316 1 1 1 1 11 ARG HA 4.39 . 4.3 0.46 8.4488e-01 16316 1 1 1 1 11 ARG HB2 1.72 . 1.79 0.27 7.9544e-01 16316 1 1 1 1 11 ARG HB3 2.01 . 1.76 0.28 3.7193e-01 16316 1 1 1 1 11 ARG HG2 1.50 . 1.57 0.27 7.9544e-01 16316 1 1 1 1 11 ARG HG3 1.62 . 1.54 0.29 7.8265e-01 16316 1 1 1 1 11 ARG HD2 3.16 . 3.12 0.24 8.6763e-01 16316 1 1 1 1 11 ARG HD3 3.27 . 3.1 0.26 5.1321e-01 16316 1 1 1 1 11 ARG HE 8.11 . 7.4 0.63 2.5975e-01 16316 1 1 1 1 11 ARG N 120.7 . 120.8 3.68 9.7832e-01 16316 1 1 1 1 11 ARG NE 116.9 A 84.63 1.68 3.1522e-82 16316 1 1 1 1 33 ARG C 179.4 . 176.41 2.03 1.4078e-01 16316 1 1 1 1 33 ARG CA 59.7 . 56.77 2.31 2.0466e-01 16316 1 1 1 1 33 ARG CB 30.0 . 30.7 1.83 7.0208e-01 16316 1 1 1 1 33 ARG CG 27.7 . 27.21 1.2 6.8303e-01 16316 1 1 1 1 33 ARG CD 43.3 . 43.16 0.88 8.7360e-01 16316 1 1 1 1 33 ARG H 8.04 . 8.24 0.61 7.4301e-01 16316 1 1 1 1 33 ARG HA 4.21 . 4.3 0.46 8.4488e-01 16316 1 1 1 1 33 ARG HB2 1.98 . 1.79 0.27 4.8162e-01 16316 1 1 1 1 33 ARG HB3 2.02 . 1.76 0.28 3.5311e-01 16316 1 1 1 1 33 ARG HG2 1.68 . 1.57 0.27 6.8371e-01 16316 1 1 1 1 33 ARG HG3 1.85 . 1.54 0.29 2.8509e-01 16316 1 1 1 1 33 ARG HD2 3.22 . 3.12 0.24 6.7692e-01 16316 1 1 1 1 33 ARG HD3 3.28 . 3.1 0.26 4.8874e-01 16316 1 1 1 1 33 ARG HE 7.36 . 7.4 0.63 9.4937e-01 16316 1 1 1 1 33 ARG N 117.0 . 120.8 3.68 3.0179e-01 16316 1 1 1 1 33 ARG NE 116.4 A 84.63 1.68 9.3087e-80 16316 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 11 ARG ARG 0.74 16316 1 1 1 1 11 ARG GLY 0.18 16316 1 1 1 1 11 ARG LYS 0.06 16316 1 1 1 1 33 ARG ARG 0.78 16316 1 1 1 1 33 ARG GLY 0.13 16316 1 1 1 1 33 ARG LYS 0.08 16316 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16316 _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 16316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16316 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16316 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16316 _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_