data_AVS_bmrb_pdb_report_11132 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11132 _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 15 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB3" 0.9958 11132 1 1 1 1 19 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11132 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 15 ARG C 172.101 . 176.49 2.16 4.2159e-02 11132 1 1 1 1 15 ARG CA 53.244 . 56.95 2.41 1.2411e-01 11132 1 1 1 1 15 ARG CB 28.657 . 30.66 1.77 2.5779e-01 11132 1 1 1 1 15 ARG CG 23.781 . 27.31 1.65 3.2453e-02 11132 1 1 1 1 15 ARG CD 40.172 . 43.1 1.1 7.7720e-03 11132 1 1 1 1 15 ARG H 7.640 . 8.24 0.6 3.1731e-01 11132 1 1 1 1 15 ARG HA 3.755 . 4.27 0.44 2.4182e-01 11132 1 1 1 1 15 ARG HB2 0.792 S 1.79 0.28 3.6485e-04 11132 1 1 1 1 15 ARG HB3 0.959 . 1.78 0.28 3.3663e-03 11132 1 1 1 1 15 ARG HG2 -0.040 S 1.58 0.27 1.9732e-09 11132 1 1 1 1 15 ARG HG3 0.403 S 1.58 0.27 1.3050e-05 11132 1 1 1 1 15 ARG HD2 1.290 A 3.13 0.23 1.2442e-15 11132 1 1 1 1 15 ARG HD3 0.902 A 3.13 0.22 4.1815e-24 11132 1 1 1 1 15 ARG N 122.498 . 120.61 3.9 6.2831e-01 11132 1 1 1 1 19 TYR C 174.317 . 175.39 1.89 5.7022e-01 11132 1 1 1 1 19 TYR CA 59.546 . 58.02 2.64 5.6324e-01 11132 1 1 1 1 19 TYR CB 35.712 . 39.16 2.23 1.2206e-01 11132 1 1 1 1 19 TYR CD1 130.654 . 132.54 1.35 1.6240e-01 11132 1 1 1 1 19 TYR CD2 130.654 . 132.26 1.99 4.1965e-01 11132 1 1 1 1 19 TYR CE1 114.837 . 117.81 2.09 1.5488e-01 11132 1 1 1 1 19 TYR CE2 114.837 A 117.91 2.6 2.3724e-01 11132 1 1 1 1 19 TYR H 7.567 . 8.37 0.75 2.8432e-01 11132 1 1 1 1 19 TYR HA 3.212 . 4.63 0.56 1.1337e-02 11132 1 1 1 1 19 TYR HB2 3.034 . 2.91 0.37 7.3752e-01 11132 1 1 1 1 19 TYR HB3 2.856 . 2.91 0.37 8.8396e-01 11132 1 1 1 1 19 TYR HD1 5.921 . 6.87 0.65 1.4429e-01 11132 1 1 1 1 19 TYR HD2 5.921 . 6.86 0.68 1.6731e-01 11132 1 1 1 1 19 TYR HE1 6.162 . 6.64 0.58 4.0986e-01 11132 1 1 1 1 19 TYR HE2 6.162 . 6.63 0.61 4.4296e-01 11132 1 1 1 1 19 TYR N 117.722 . 120.79 4.69 5.1301e-01 11132 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 15 ARG CYS 0.38 11132 1 1 1 1 15 ARG LEU 0.34 11132 1 1 1 1 15 ARG LYS 0.22 11132 1 1 1 1 15 ARG ALA 0.03 11132 1 1 1 1 19 TYR CYS 0.8 11132 1 1 1 1 19 TYR TYR 0.19 11132 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11132 _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 11132 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11132 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11132 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11132 _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_