data_AVS_bmrb_pdb_report_17365 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17365 _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 30 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 17365 1 1 1 1 38 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17365 1 1 1 1 39 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 17365 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 17365 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 30 ARG C 175.806 . 176.41 2.03 7.6606e-01 17365 1 1 1 1 30 ARG CA 53.949 . 56.77 2.31 2.2201e-01 17365 1 1 1 1 30 ARG CB 31.613 . 30.7 1.83 6.1784e-01 17365 1 1 1 1 30 ARG CG 26.33 . 27.21 1.2 4.6336e-01 17365 1 1 1 1 30 ARG CD 43.78 . 43.16 0.88 4.8109e-01 17365 1 1 1 1 30 ARG H 8.016 . 8.24 0.61 7.1346e-01 17365 1 1 1 1 30 ARG HA 4.504 . 4.3 0.46 6.5742e-01 17365 1 1 1 1 30 ARG HB2 1.001 . 1.79 0.27 3.4754e-03 17365 1 1 1 1 30 ARG HB3 -0.016 S 1.76 0.28 2.2554e-10 17365 1 1 1 1 30 ARG HG2 0.609 S 1.57 0.27 3.7190e-04 17365 1 1 1 1 30 ARG HG3 0.124 S 1.54 0.29 1.0461e-06 17365 1 1 1 1 30 ARG HD2 2.303 S 3.12 0.24 6.6366e-04 17365 1 1 1 1 30 ARG HD3 2.303 . 3.1 0.26 2.1739e-03 17365 1 1 1 1 30 ARG HE 6.594 . 7.4 0.63 2.0077e-01 17365 1 1 1 1 30 ARG N 126.232 . 120.8 3.68 1.3992e-01 17365 1 1 1 1 30 ARG NE 108.74 A 84.63 1.68 1.0472e-46 17365 1 1 1 1 38 ARG C 173.478 . 176.41 2.03 1.4864e-01 17365 1 1 1 1 38 ARG CA 52.987 . 56.77 2.31 1.0149e-01 17365 1 1 1 1 38 ARG CB 33.499 . 30.7 1.83 1.2614e-01 17365 1 1 1 1 38 ARG CD 44.718 . 43.16 0.88 7.6652e-02 17365 1 1 1 1 38 ARG H 10.07 . 8.24 0.61 2.6998e-03 17365 1 1 1 1 38 ARG HA 4.553 . 4.3 0.46 5.8232e-01 17365 1 1 1 1 38 ARG HB2 2.011 . 1.79 0.27 4.1306e-01 17365 1 1 1 1 38 ARG HB3 2.011 . 1.76 0.28 3.7002e-01 17365 1 1 1 1 38 ARG HG2 1.668 . 1.57 0.27 7.1663e-01 17365 1 1 1 1 38 ARG HG3 1.668 . 1.54 0.29 6.5894e-01 17365 1 1 1 1 38 ARG HD2 3.184 . 3.12 0.24 7.8973e-01 17365 1 1 1 1 38 ARG HD3 3.184 . 3.1 0.26 7.4664e-01 17365 1 1 1 1 38 ARG HE 8.826 . 7.4 0.63 2.3605e-02 17365 1 1 1 1 38 ARG N 122.094 . 120.8 3.68 7.2512e-01 17365 1 1 1 1 38 ARG NE 111.822 A 84.63 1.68 6.3607e-59 17365 1 1 1 1 39 ARG C 176.524 . 176.41 2.03 9.5522e-01 17365 1 1 1 1 39 ARG CA 55.492 . 56.77 2.31 5.8009e-01 17365 1 1 1 1 39 ARG CB 30.651 . 30.7 1.83 9.7864e-01 17365 1 1 1 1 39 ARG CG 26.651 . 27.21 1.2 6.4133e-01 17365 1 1 1 1 39 ARG CD 43.465 . 43.16 0.88 7.2890e-01 17365 1 1 1 1 39 ARG H 8.188 . 8.24 0.61 9.3207e-01 17365 1 1 1 1 39 ARG HA 3.773 . 4.3 0.46 2.5194e-01 17365 1 1 1 1 39 ARG HB2 1.015 . 1.79 0.27 4.0999e-03 17365 1 1 1 1 39 ARG HB3 0.357 S 1.76 0.28 5.4228e-07 17365 1 1 1 1 39 ARG HG2 0.51 S 1.57 0.27 8.6397e-05 17365 1 1 1 1 39 ARG HG3 0.379 S 1.54 0.29 6.2426e-05 17365 1 1 1 1 39 ARG HD2 2.738 . 3.12 0.24 1.1146e-01 17365 1 1 1 1 39 ARG HD3 2.738 . 3.1 0.26 1.6383e-01 17365 1 1 1 1 39 ARG HE 7.365 . 7.4 0.63 9.5570e-01 17365 1 1 1 1 39 ARG N 125.822 . 120.8 3.68 1.7236e-01 17365 1 1 1 1 39 ARG NE 107.41 A 84.63 1.68 6.9586e-42 17365 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 30 ARG ARG 0.45 17365 1 1 1 1 30 ARG CYS 0.32 17365 1 1 1 1 30 ARG GLY 0.18 17365 1 1 1 1 30 ARG LYS 0.04 17365 1 1 1 1 38 ARG GLY 0.66 17365 1 1 1 1 38 ARG CYS 0.28 17365 1 1 1 1 38 ARG ARG 0.04 17365 1 1 1 1 39 ARG ARG 0.5 17365 1 1 1 1 39 ARG CYS 0.35 17365 1 1 1 1 39 ARG GLY 0.08 17365 1 1 1 1 39 ARG LYS 0.04 17365 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17365 _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 17365 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17365 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17365 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17365 _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_