data_AVS_bmrb_pdb_report_17443 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17443 _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 67 PRO Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 17443 1 1 1 1 77 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17443 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 67 PRO CB 23.334 A 31.81 1.54 3.7149e-08 17443 1 1 1 1 67 PRO CD 47.621 . 50.28 1.04 1.0566e-02 17443 1 1 1 1 67 PRO HB2 1.745 . 2.05 0.39 4.3418e-01 17443 1 1 1 1 67 PRO HB3 1.745 . 2.05 0.39 4.3418e-01 17443 1 1 1 1 67 PRO HG2 1.308 . 1.93 0.36 8.4028e-02 17443 1 1 1 1 67 PRO HG3 1.308 . 1.92 0.37 9.8117e-02 17443 1 1 1 1 67 PRO HD2 3.472 . 3.64 0.36 6.4074e-01 17443 1 1 1 1 67 PRO HD3 3.087 . 3.63 0.4 1.7462e-01 17443 1 1 1 1 77 PHE C 168.348 A 175.49 2.13 7.9926e-04 17443 1 1 1 1 77 PHE CA 55.554 . 58.25 2.73 3.2338e-01 17443 1 1 1 1 77 PHE CB 37.826 . 39.95 2.04 2.9779e-01 17443 1 1 1 1 77 PHE H 6.912 . 8.42 0.74 4.1566e-02 17443 1 1 1 1 77 PHE HA 4.493 . 4.62 0.58 8.2668e-01 17443 1 1 1 1 77 PHE HB2 2.930 . 2.99 0.37 8.7118e-01 17443 1 1 1 1 77 PHE HB3 2.760 . 2.97 0.38 5.8052e-01 17443 1 1 1 1 77 PHE HD1 7.277 . 6.91 0.82 6.5447e-01 17443 1 1 1 1 77 PHE HD2 7.277 . 6.89 0.86 6.5271e-01 17443 1 1 1 1 77 PHE N 124.609 . 120.69 4.18 3.4847e-01 17443 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 67 PRO GLY 0.82 17443 1 1 1 1 67 PRO LEU 0.13 17443 1 1 1 1 67 PRO CYS 0.03 17443 1 1 1 1 67 PRO ALA 0.01 17443 1 1 1 1 77 PHE CYS 0.25 17443 1 1 1 1 77 PHE TYR 0.18 17443 1 1 1 1 77 PHE ASN 0.16 17443 1 1 1 1 77 PHE PHE 0.12 17443 1 1 1 1 77 PHE GLU 0.11 17443 1 1 1 1 77 PHE ASP 0.06 17443 1 1 1 1 77 PHE ILE 0.03 17443 1 1 1 1 77 PHE MET 0.02 17443 1 1 1 1 77 PHE LEU 0.01 17443 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17443 _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.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 17443 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17443 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17443 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17443 _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_