data_AVS_bmrb_pdb_report_17148 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17148 _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 14 PRO Anomalous Suspicious Suspicious Consistent Anomalous Indeterminable "CB > CG" 0.9931 17148 1 1 1 1 34 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17148 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 14 PRO C 180.376 . 176.75 1.51 1.6336e-02 17148 1 1 1 1 14 PRO CA 62.890 . 63.33 1.52 7.7222e-01 17148 1 1 1 1 14 PRO CB 30.321 . 31.85 1.18 1.9506e-01 17148 1 1 1 1 14 PRO CG 34.021 A 27.17 1.09 3.2718e-10 17148 1 1 1 1 14 PRO CD 53.587 S 50.32 0.99 9.6685e-04 17148 1 1 1 1 14 PRO HA 4.321 . 4.4 0.33 8.1080e-01 17148 1 1 1 1 14 PRO HB2 1.971 . 2.08 0.35 7.5547e-01 17148 1 1 1 1 14 PRO HB3 2.326 . 2 0.36 3.6517e-01 17148 1 1 1 1 14 PRO HG2 2.095 . 1.93 0.31 5.9455e-01 17148 1 1 1 1 14 PRO HG3 2.095 . 1.9 0.33 5.5458e-01 17148 1 1 1 1 14 PRO HD2 3.830 . 3.65 0.35 6.0705e-01 17148 1 1 1 1 14 PRO HD3 3.830 . 3.61 0.39 5.7268e-01 17148 1 1 1 1 34 ARG C 178.525 . 176.41 2.03 2.9747e-01 17148 1 1 1 1 34 ARG CA 57.980 . 56.77 2.31 6.0041e-01 17148 1 1 1 1 34 ARG CB 30.871 . 30.7 1.83 9.2555e-01 17148 1 1 1 1 34 ARG CG 28.115 . 27.21 1.2 4.5075e-01 17148 1 1 1 1 34 ARG CD 43.408 . 43.16 0.88 7.7808e-01 17148 1 1 1 1 34 ARG H 7.539 . 8.24 0.61 2.5048e-01 17148 1 1 1 1 34 ARG HA 4.213 . 4.3 0.46 8.4999e-01 17148 1 1 1 1 34 ARG HB2 1.943 . 1.79 0.27 5.7094e-01 17148 1 1 1 1 34 ARG HB3 1.944 . 1.76 0.28 5.1109e-01 17148 1 1 1 1 34 ARG HG2 1.632 . 1.57 0.27 8.1838e-01 17148 1 1 1 1 34 ARG HG3 1.776 . 1.54 0.29 4.1576e-01 17148 1 1 1 1 34 ARG HD2 3.137 . 3.12 0.24 9.4353e-01 17148 1 1 1 1 34 ARG HD3 3.137 . 3.1 0.26 8.8684e-01 17148 1 1 1 1 34 ARG HE 7.322 . 7.4 0.63 9.0147e-01 17148 1 1 1 1 34 ARG N 120.664 . 120.8 3.68 9.7052e-01 17148 1 1 1 1 34 ARG NE 105.110 A 84.63 1.68 3.4937e-34 17148 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 14 PRO SER 0.99 17148 1 1 1 1 34 ARG ARG 0.69 17148 1 1 1 1 34 ARG LYS 0.18 17148 1 1 1 1 34 ARG GLY 0.11 17148 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17148 _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 17148 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17148 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17148 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17148 _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_