data_AVS_bmrb_pdb_report_6053 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6053 _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 12 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6053 1 1 1 1 39 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6053 1 1 1 1 49 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6053 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 6053 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 12 ARG C 178.00 . 176.41 2.03 4.3348e-01 6053 1 1 1 1 12 ARG CA 59.76 . 56.77 2.31 1.9554e-01 6053 1 1 1 1 12 ARG CB 29.10 . 30.7 1.83 3.8195e-01 6053 1 1 1 1 12 ARG CG 28.66 . 27.21 1.2 2.2692e-01 6053 1 1 1 1 12 ARG CD 43.48 . 43.16 0.88 7.1613e-01 6053 1 1 1 1 12 ARG H 8.02 . 8.24 0.61 7.1836e-01 6053 1 1 1 1 12 ARG HA 3.56 . 4.3 0.46 1.0768e-01 6053 1 1 1 1 12 ARG HB2 0.56 S 1.79 0.27 5.2247e-06 6053 1 1 1 1 12 ARG HB3 -0.18 S 1.76 0.28 4.2511e-12 6053 1 1 1 1 12 ARG HG2 1.15 . 1.57 0.27 1.1981e-01 6053 1 1 1 1 12 ARG HG3 0.10 S 1.54 0.29 6.8518e-07 6053 1 1 1 1 12 ARG HD2 2.09 S 3.12 0.24 1.7734e-05 6053 1 1 1 1 12 ARG HD3 1.73 S 3.1 0.26 1.3700e-07 6053 1 1 1 1 12 ARG HE 6.47 . 7.4 0.63 1.3989e-01 6053 1 1 1 1 12 ARG N 120.52 . 120.8 3.68 9.3935e-01 6053 1 1 1 1 12 ARG NE 109.99 A 84.63 1.68 1.7406e-51 6053 1 1 1 1 39 ARG CA 53.71 . 56.77 2.31 1.8528e-01 6053 1 1 1 1 39 ARG CB 30.75 . 30.7 1.83 9.7820e-01 6053 1 1 1 1 39 ARG CG 28.60 . 27.21 1.2 2.4673e-01 6053 1 1 1 1 39 ARG CD 44.74 . 43.16 0.88 7.2581e-02 6053 1 1 1 1 39 ARG H 9.29 . 8.24 0.61 8.5194e-02 6053 1 1 1 1 39 ARG HA 4.93 . 4.3 0.46 1.7082e-01 6053 1 1 1 1 39 ARG HB2 1.94 . 1.79 0.27 5.7851e-01 6053 1 1 1 1 39 ARG HB3 1.84 . 1.76 0.28 7.7510e-01 6053 1 1 1 1 39 ARG HG2 1.84 . 1.57 0.27 3.1731e-01 6053 1 1 1 1 39 ARG HG3 1.60 . 1.54 0.29 8.3609e-01 6053 1 1 1 1 39 ARG HD2 3.23 . 3.12 0.24 6.4671e-01 6053 1 1 1 1 39 ARG HD3 3.16 . 3.1 0.26 8.1749e-01 6053 1 1 1 1 39 ARG HE 6.83 . 7.4 0.63 3.6559e-01 6053 1 1 1 1 39 ARG N 120.96 . 120.8 3.68 9.6532e-01 6053 1 1 1 1 39 ARG NE 111.93 A 84.63 1.68 2.2336e-59 6053 1 1 1 1 49 ARG C 178.22 . 176.41 2.03 3.7259e-01 6053 1 1 1 1 49 ARG CA 58.42 . 56.77 2.31 4.7505e-01 6053 1 1 1 1 49 ARG CB 29.20 . 30.7 1.83 4.1240e-01 6053 1 1 1 1 49 ARG CG 26.81 . 27.21 1.2 7.3888e-01 6053 1 1 1 1 49 ARG CD 41.15 . 43.16 0.88 2.2366e-02 6053 1 1 1 1 49 ARG H 8.51 . 8.24 0.61 6.5804e-01 6053 1 1 1 1 49 ARG HA 2.66 S 4.3 0.46 3.6355e-04 6053 1 1 1 1 49 ARG HB2 1.41 . 1.79 0.27 1.5931e-01 6053 1 1 1 1 49 ARG HB3 1.06 . 1.76 0.28 1.2419e-02 6053 1 1 1 1 49 ARG HG2 1.24 . 1.57 0.27 2.2162e-01 6053 1 1 1 1 49 ARG HG3 0.63 . 1.54 0.29 1.7014e-03 6053 1 1 1 1 49 ARG HD2 1.96 S 3.12 0.24 1.3427e-06 6053 1 1 1 1 49 ARG HD3 1.65 S 3.1 0.26 2.4481e-08 6053 1 1 1 1 49 ARG HE 7.12 . 7.4 0.63 6.5672e-01 6053 1 1 1 1 49 ARG N 123.23 . 120.8 3.68 5.0904e-01 6053 1 1 1 1 49 ARG NE 111.97 A 84.63 1.68 1.5144e-59 6053 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 12 ARG CYS 0.55 6053 1 1 1 1 12 ARG ARG 0.28 6053 1 1 1 1 12 ARG GLY 0.11 6053 1 1 1 1 12 ARG LYS 0.03 6053 1 1 1 1 39 ARG GLY 0.54 6053 1 1 1 1 39 ARG CYS 0.3 6053 1 1 1 1 39 ARG ARG 0.14 6053 1 1 1 1 49 ARG CYS 0.58 6053 1 1 1 1 49 ARG LYS 0.25 6053 1 1 1 1 49 ARG ARG 0.11 6053 1 1 1 1 49 ARG LEU 0.04 6053 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6053 _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 6053 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6053 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6053 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6053 _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_