data_AVS_bmrb_pdb_report_34248 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34248 _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 35 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 34248 1 1 1 2 10 PHE Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB2" 0.9952 34248 1 1 1 2 10 PHE . . . . . . "HA > HB3" 0.9955 34248 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 35 ARG CA 59.864 . 56.77 2.31 1.8044e-01 34248 1 1 1 1 35 ARG CB 29.589 . 30.7 1.83 5.4378e-01 34248 1 1 1 1 35 ARG CG 26.195 . 27.21 1.2 3.9765e-01 34248 1 1 1 1 35 ARG CD 42.906 . 43.16 0.88 7.7286e-01 34248 1 1 1 1 35 ARG H 8.285 . 8.24 0.61 9.4119e-01 34248 1 1 1 1 35 ARG HA 3.567 . 4.3 0.46 1.1105e-01 34248 1 1 1 1 35 ARG HB2 1.373 . 1.79 0.27 1.2248e-01 34248 1 1 1 1 35 ARG HB3 1.242 . 1.76 0.28 6.4314e-02 34248 1 1 1 1 35 ARG HD2 4.848 A 3.12 0.24 6.0213e-13 34248 1 1 1 1 35 ARG HD3 4.028 S 3.1 0.26 3.5803e-04 34248 1 1 1 1 35 ARG HE 7.076 . 7.4 0.63 6.0705e-01 34248 1 1 1 1 35 ARG N 119.025 . 120.8 3.68 6.2957e-01 34248 1 1 1 1 35 ARG NE 85.471 . 84.63 1.68 6.1666e-01 34248 1 1 1 2 10 PHE CA 58.025 . 58.08 2.57 9.8293e-01 34248 1 1 1 2 10 PHE CB 38.7 . 39.99 2.09 5.3709e-01 34248 1 1 1 2 10 PHE CD1 131.921 . 131.58 1.18 7.7259e-01 34248 1 1 1 2 10 PHE CD2 131.921 . 131.63 1.12 7.9500e-01 34248 1 1 1 2 10 PHE CE1 130.6 . 130.71 1.3 9.3257e-01 34248 1 1 1 2 10 PHE CE2 130.6 . 130.76 1.13 8.8740e-01 34248 1 1 1 2 10 PHE H 8.083 . 8.36 0.72 7.0044e-01 34248 1 1 1 2 10 PHE HA 1.33 A 4.63 0.57 7.0607e-09 34248 1 1 1 2 10 PHE HB2 2.214 . 3 0.37 3.3643e-02 34248 1 1 1 2 10 PHE HB3 1.679 . 2.93 0.4 1.7630e-03 34248 1 1 1 2 10 PHE HD1 6.755 . 7.06 0.31 3.2518e-01 34248 1 1 1 2 10 PHE HD2 6.755 . 7.06 0.31 3.2518e-01 34248 1 1 1 2 10 PHE HE1 7.052 . 7.08 0.31 9.2803e-01 34248 1 1 1 2 10 PHE HE2 7.052 . 7.08 0.32 9.3027e-01 34248 1 1 1 2 10 PHE N 120.188 . 120.45 4.18 9.5002e-01 34248 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 35 ARG CYS 0.45 34248 1 1 1 1 35 ARG ARG 0.32 34248 1 1 1 1 35 ARG LYS 0.16 34248 1 1 1 1 35 ARG GLY 0.03 34248 1 1 1 1 35 ARG LEU 0.01 34248 1 1 1 2 10 PHE PHE 0.39 34248 1 1 1 2 10 PHE TYR 0.37 34248 1 1 1 2 10 PHE CYS 0.23 34248 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34248 _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 34248 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34248 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34248 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34248 _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_