data_AVS_bmrb_pdb_report_26048 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26048 _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 87 LEU Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 26048 1 1 1 1 115 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 26048 1 1 1 1 120 PHE Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 26048 1 1 1 2 1 HEM UNSUPPORTED . . . . . . . 26048 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 87 LEU C 180.706 . 176.99 1.98 6.0550e-02 26048 1 1 1 1 87 LEU CA 59.460 . 55.62 2.13 7.1417e-02 26048 1 1 1 1 87 LEU CB 43.553 . 42.31 1.88 5.0850e-01 26048 1 1 1 1 87 LEU CG 27.992 . 26.78 1.1 2.7054e-01 26048 1 1 1 1 87 LEU CD1 25.951 . 24.72 1.59 4.3880e-01 26048 1 1 1 1 87 LEU HA 5.802 . 4.32 0.47 1.6150e-03 26048 1 1 1 1 87 LEU HB2 2.125 . 1.61 0.34 1.2985e-01 26048 1 1 1 1 87 LEU HB3 2.125 . 1.52 0.36 9.2849e-02 26048 1 1 1 1 87 LEU HG 2.752 S 1.51 0.33 1.6746e-04 26048 1 1 1 1 87 LEU HD11 2.616 A 0.75 0.28 2.6596e-11 26048 1 1 1 1 87 LEU HD12 2.616 A 0.75 0.28 2.6596e-11 26048 1 1 1 1 87 LEU HD13 2.616 A 0.75 0.28 2.6596e-11 26048 1 1 1 1 115 LEU C 174.882 . 176.99 1.98 2.8704e-01 26048 1 1 1 1 115 LEU CA 55.428 . 55.62 2.13 9.2818e-01 26048 1 1 1 1 115 LEU CB 40.385 . 42.31 1.88 3.0587e-01 26048 1 1 1 1 115 LEU H 6.658 . 8.23 0.65 1.5586e-02 26048 1 1 1 1 115 LEU HA 4.375 . 4.32 0.47 9.0684e-01 26048 1 1 1 1 115 LEU HB2 3.389 A 1.61 0.34 1.6737e-07 26048 1 1 1 1 115 LEU HB3 3.110 S 1.52 0.36 1.0023e-05 26048 1 1 1 1 115 LEU N 123.110 . 121.86 3.9 7.4858e-01 26048 1 1 1 1 120 PHE C 175.525 . 175.42 1.99 9.5792e-01 26048 1 1 1 1 120 PHE CA 56.968 . 58.08 2.57 6.6524e-01 26048 1 1 1 1 120 PHE CB 44.673 . 39.99 2.09 2.5047e-02 26048 1 1 1 1 120 PHE HA 6.087 . 4.63 0.57 1.0584e-02 26048 1 1 1 1 120 PHE HB2 4.862 A 3 0.37 4.8430e-07 26048 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 87 LEU CYS 0.45 26048 1 1 1 1 87 LEU ARG 0.19 26048 1 1 1 1 87 LEU LEU 0.15 26048 1 1 1 1 87 LEU GLY 0.11 26048 1 1 1 1 87 LEU LYS 0.08 26048 1 1 1 1 115 LEU ASP 0.26 26048 1 1 1 1 115 LEU LEU 0.17 26048 1 1 1 1 115 LEU PHE 0.16 26048 1 1 1 1 115 LEU TYR 0.14 26048 1 1 1 1 115 LEU ASN 0.1 26048 1 1 1 1 115 LEU CYS 0.08 26048 1 1 1 1 115 LEU LYS 0.04 26048 1 1 1 1 115 LEU ILE 0.01 26048 1 1 1 1 120 PHE GLY 0.41 26048 1 1 1 1 120 PHE LEU 0.24 26048 1 1 1 1 120 PHE ARG 0.15 26048 1 1 1 1 120 PHE CYS 0.07 26048 1 1 1 1 120 PHE PHE 0.04 26048 1 1 1 1 120 PHE TYR 0.02 26048 1 1 1 1 120 PHE ASP 0.02 26048 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26048 _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 26048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26048 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26048 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26048 _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_