data_AVS_bmrb_pdb_report_30654 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30654 _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 2 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30654 1 1 1 1 11 ALA Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 30654 1 1 1 2 1 WMH UNSUPPORTED . . . . . . . 30654 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 2 ARG CA 54.205 . 56.77 2.31 2.6683e-01 30654 1 1 1 1 2 ARG CB 28.179 . 30.7 1.83 1.6833e-01 30654 1 1 1 1 2 ARG CG 25.304 . 27.21 1.2 1.1221e-01 30654 1 1 1 1 2 ARG CD 40.557 . 43.16 0.88 3.0969e-03 30654 1 1 1 1 2 ARG H 7.888 . 8.24 0.61 5.6391e-01 30654 1 1 1 1 2 ARG HA 4.440 . 4.3 0.46 7.6086e-01 30654 1 1 1 1 2 ARG HB2 1.926 . 1.79 0.27 6.1447e-01 30654 1 1 1 1 2 ARG HB3 2.046 . 1.76 0.28 3.0705e-01 30654 1 1 1 1 2 ARG HG2 1.660 . 1.57 0.27 7.3888e-01 30654 1 1 1 1 2 ARG HG3 1.675 . 1.54 0.29 6.4156e-01 30654 1 1 1 1 2 ARG HD2 3.216 . 3.12 0.24 6.8916e-01 30654 1 1 1 1 2 ARG HD3 3.216 . 3.1 0.26 6.5549e-01 30654 1 1 1 1 2 ARG HE 7.602 . 7.4 0.63 7.4849e-01 30654 1 1 1 1 2 ARG N 121.630 . 120.8 3.68 8.2156e-01 30654 1 1 1 1 2 ARG NE 125.164 A 84.63 1.68 0.0000e+00 30654 1 1 1 1 11 ALA CA 50.517 . 53.14 1.98 1.8525e-01 30654 1 1 1 1 11 ALA CB 25.616 S 19.01 1.83 3.0639e-04 30654 1 1 1 1 11 ALA H 8.564 . 8.2 0.6 5.4407e-01 30654 1 1 1 1 11 ALA HA 5.457 . 4.26 0.44 6.5192e-03 30654 1 1 1 1 11 ALA HB1 3.046 S 1.35 0.26 6.8880e-11 30654 1 1 1 1 11 ALA HB2 3.156 A 1.35 0.26 3.7538e-12 30654 1 1 1 1 11 ALA HB3 3.156 A 1.35 0.26 3.7538e-12 30654 1 1 1 1 11 ALA N 120.673 . 123.23 3.54 4.7010e-01 30654 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 2 ARG LYS 0.97 30654 1 1 1 1 2 ARG ARG 0.01 30654 1 1 1 1 11 ALA PRO 0.92 30654 1 1 1 1 11 ALA LYS 0.02 30654 1 1 1 1 11 ALA ARG 0.02 30654 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30654 _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 30654 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30654 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30654 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30654 _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_