data_AVS_bmrb_pdb_report_25150 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25150 _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 94 ILE Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 1.0000 25150 1 1 1 1 120 LYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 25150 1 1 1 1 140 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 1.0000 25150 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 94 ILE CA 64.310 . 61.61 2.68 3.1371e-01 25150 1 1 1 1 94 ILE CB 37.900 . 38.63 2.02 7.1781e-01 25150 1 1 1 1 94 ILE H 7.859 . 8.28 0.68 5.3584e-01 25150 1 1 1 1 94 ILE HA 173.538 A 4.18 0.56 0.0000e+00 25150 1 1 1 1 94 ILE N 118.993 . 121.46 4.28 5.6434e-01 25150 1 1 1 1 120 LYS C 176.345 . 176.64 2 8.8274e-01 25150 1 1 1 1 120 LYS CA 65.050 A 56.95 2.2 2.3158e-04 25150 1 1 1 1 120 LYS CB 33.550 . 32.79 1.78 6.6940e-01 25150 1 1 1 1 120 LYS HA 4.540 . 4.27 0.44 5.3946e-01 25150 1 1 1 1 120 LYS HB2 1.700 . 1.78 0.25 7.4897e-01 25150 1 1 1 1 120 LYS HE2 3.050 . 2.92 0.19 4.9384e-01 25150 1 1 1 1 140 LYS C 176.564 . 176.64 2 9.6969e-01 25150 1 1 1 1 140 LYS CA 56.990 . 56.95 2.2 9.8549e-01 25150 1 1 1 1 140 LYS H 8.108 . 8.19 0.6 8.9129e-01 25150 1 1 1 1 140 LYS HA 32.650 A 4.27 0.44 0.0000e+00 25150 1 1 1 1 140 LYS N 118.218 . 121.05 3.77 4.5254e-01 25150 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 94 ILE ILE 0.72 25150 1 1 1 1 94 ILE CYS 0.16 25150 1 1 1 1 94 ILE TYR 0.04 25150 1 1 1 1 94 ILE PHE 0.04 25150 1 1 1 1 94 ILE VAL 0.01 25150 1 1 1 1 120 LYS VAL 0.64 25150 1 1 1 1 120 LYS PRO 0.19 25150 1 1 1 1 120 LYS CYS 0.13 25150 1 1 1 1 120 LYS ILE 0.01 25150 1 1 1 1 140 LYS LYS 0.1 25150 1 1 1 1 140 LYS ARG 0.09 25150 1 1 1 1 140 LYS GLU 0.09 25150 1 1 1 1 140 LYS GLN 0.08 25150 1 1 1 1 140 LYS HIS 0.08 25150 1 1 1 1 140 LYS TRP 0.08 25150 1 1 1 1 140 LYS CYS 0.07 25150 1 1 1 1 140 LYS MET 0.07 25150 1 1 1 1 140 LYS PHE 0.07 25150 1 1 1 1 140 LYS TYR 0.06 25150 1 1 1 1 140 LYS LEU 0.05 25150 1 1 1 1 140 LYS SER 0.04 25150 1 1 1 1 140 LYS ASP 0.02 25150 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25150 _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 25150 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25150 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25150 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25150 _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_