data_AVS_bmrb_pdb_report_16782 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16782 _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 16 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 16782 1 1 1 1 95 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16782 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 16 PRO C 176.5 . 176.7 1.69 9.0580e-01 16782 1 1 1 1 16 PRO CA 61.9 . 63.3 1.64 3.9329e-01 16782 1 1 1 1 16 PRO CB 29.9 . 31.81 1.54 2.1488e-01 16782 1 1 1 1 16 PRO CG 25.7 . 27.14 1.18 2.2234e-01 16782 1 1 1 1 16 PRO CD 50.8 . 50.28 1.04 6.1707e-01 16782 1 1 1 1 16 PRO HA 4.44 . 4.41 0.36 9.3359e-01 16782 1 1 1 1 16 PRO HB2 1.14 . 2.05 0.39 1.9631e-02 16782 1 1 1 1 16 PRO HB3 -0.22 A 2.05 0.39 5.8667e-09 16782 1 1 1 1 16 PRO HG2 1.59 . 1.93 0.36 3.4494e-01 16782 1 1 1 1 16 PRO HG3 1.5 . 1.92 0.37 2.5632e-01 16782 1 1 1 1 16 PRO HD2 4.21 . 3.64 0.36 1.1335e-01 16782 1 1 1 1 16 PRO HD3 3.82 . 3.63 0.4 6.3479e-01 16782 1 1 1 1 95 ARG C 176.9 . 176.49 2.16 8.4945e-01 16782 1 1 1 1 95 ARG CA 59.3 . 56.95 2.41 3.2951e-01 16782 1 1 1 1 95 ARG CB 28 . 30.66 1.77 1.3288e-01 16782 1 1 1 1 95 ARG H 7.95 . 8.24 0.6 6.2886e-01 16782 1 1 1 1 95 ARG HA 4.29 . 4.27 0.44 9.6375e-01 16782 1 1 1 1 95 ARG HB2 3.44 A 1.79 0.28 3.7957e-09 16782 1 1 1 1 95 ARG HB3 3.32 A 1.78 0.28 3.7979e-08 16782 1 1 1 1 95 ARG N 119.1 . 120.61 3.9 6.9862e-01 16782 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 16 PRO PRO 0.99 16782 1 1 1 1 95 ARG ILE 0.21 16782 1 1 1 1 95 ARG TRP 0.15 16782 1 1 1 1 95 ARG LYS 0.14 16782 1 1 1 1 95 ARG GLN 0.12 16782 1 1 1 1 95 ARG GLU 0.11 16782 1 1 1 1 95 ARG HIS 0.09 16782 1 1 1 1 95 ARG ARG 0.06 16782 1 1 1 1 95 ARG LEU 0.04 16782 1 1 1 1 95 ARG PRO 0.01 16782 1 1 1 1 95 ARG MET 0.01 16782 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16782 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 16782 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16782 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16782 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16782 _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_