data_AVS_bmrb_pdb_report_10125 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10125 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10125 1 1 1 1 51 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 10125 1 1 1 1 51 ARG . . . . . . "HD3 > HB3" 0.9958 10125 1 1 1 1 51 ARG . . . . . . "HD3 > HG2" 0.9974 10125 1 1 1 1 51 ARG . . . . . . "HD3 > HG3" 0.9982 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10125 1 1 1 1 51 ARG C 176.541 . 176.49 2.16 9.8116e-01 10125 1 1 1 1 51 ARG CA 53.975 . 56.95 2.41 2.1704e-01 10125 1 1 1 1 51 ARG CB 31.397 . 30.66 1.77 6.7713e-01 10125 1 1 1 1 51 ARG CG 25.324 . 27.31 1.65 2.2873e-01 10125 1 1 1 1 51 ARG CD 43.062 . 43.1 1.1 9.7244e-01 10125 1 1 1 1 51 ARG H 8.962 . 8.24 0.6 2.2885e-01 10125 1 1 1 1 51 ARG HA 4.879 . 4.27 0.44 1.6633e-01 10125 1 1 1 1 51 ARG HB2 1.500 . 1.79 0.28 3.0034e-01 10125 1 1 1 1 51 ARG HB3 1.658 . 1.78 0.28 6.6304e-01 10125 1 1 1 1 51 ARG HG2 1.310 . 1.58 0.27 3.1731e-01 10125 1 1 1 1 51 ARG HG3 1.310 . 1.58 0.27 3.1731e-01 10125 1 1 1 1 51 ARG HD2 2.180 S 3.13 0.23 3.6208e-05 10125 1 1 1 1 51 ARG HD3 0.855 M 3.13 0.22 4.6015e-25 10125 1 1 1 1 51 ARG HE 5.361 S 7.32 0.52 1.6502e-04 10125 1 1 1 1 51 ARG N 126.466 . 120.61 3.9 1.3322e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10125 1 1 1 1 51 ARG CYS 0.34 10125 1 1 1 1 51 ARG ARG 0.33 10125 1 1 1 1 51 ARG LYS 0.25 10125 1 1 1 1 51 ARG GLY 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10125 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 10125 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 10125 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10125 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10125 _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_