data_AVS_bmrb_pdb_report_4919 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4919 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4919 1 1 1 1 126 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4919 1 1 1 1 137 CYS Anomalous Suspicious Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4919 1 1 1 1 126 LYS C 181.800 M 176.46 2.05 9.1907e-03 4919 1 1 1 1 126 LYS CA 59.600 . 56.84 2.25 2.1995e-01 4919 1 1 1 1 126 LYS H 8.155 . 8.22 0.64 9.1910e-01 4919 1 1 1 1 126 LYS HA 4.342 . 4.28 0.45 8.9042e-01 4919 1 1 1 1 126 LYS HB2 1.814 . 1.79 0.25 9.2352e-01 4919 1 1 1 1 126 LYS HB3 1.814 . 1.78 0.26 8.9596e-01 4919 1 1 1 1 126 LYS HG2 1.429 . 1.38 0.27 8.5599e-01 4919 1 1 1 1 126 LYS HG3 1.429 . 1.37 0.29 8.3878e-01 4919 1 1 1 1 126 LYS HD2 1.498 . 1.61 0.25 6.5415e-01 4919 1 1 1 1 126 LYS HD3 1.498 . 1.61 0.25 6.5415e-01 4919 1 1 1 1 126 LYS HE2 2.881 . 2.93 0.2 8.0646e-01 4919 1 1 1 1 126 LYS HE3 2.881 . 2.93 0.2 8.0646e-01 4919 1 1 1 1 126 LYS N 119.968 . 121.16 4.11 7.7180e-01 4919 1 1 1 1 137 CYS CA 42.452 M 57.43 3.41 1.1212e-05 4919 1 1 1 1 137 CYS H 7.455 . 8.42 0.66 1.4371e-01 4919 1 1 1 1 137 CYS HB2 2.881 . 2.95 0.43 8.7251e-01 4919 1 1 1 1 137 CYS HB3 3.173 . 2.98 0.45 6.6800e-01 4919 1 1 1 1 137 CYS N 119.290 . 119.95 4.79 8.9041e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4919 1 1 1 1 126 LYS SER 0.11 4919 1 1 1 1 126 LYS PHE 0.11 4919 1 1 1 1 126 LYS TYR 0.1 4919 1 1 1 1 126 LYS CYS 0.09 4919 1 1 1 1 126 LYS TRP 0.08 4919 1 1 1 1 126 LYS ILE 0.08 4919 1 1 1 1 126 LYS THR 0.06 4919 1 1 1 1 126 LYS VAL 0.06 4919 1 1 1 1 126 LYS GLU 0.05 4919 1 1 1 1 126 LYS ARG 0.05 4919 1 1 1 1 126 LYS LYS 0.04 4919 1 1 1 1 126 LYS HIS 0.03 4919 1 1 1 1 126 LYS GLN 0.03 4919 1 1 1 1 126 LYS MET 0.02 4919 1 1 1 1 126 LYS LEU 0.01 4919 1 1 1 1 137 CYS LEU 0.34 4919 1 1 1 1 137 CYS ARG 0.19 4919 1 1 1 1 137 CYS LYS 0.17 4919 1 1 1 1 137 CYS ASP 0.1 4919 1 1 1 1 137 CYS PHE 0.07 4919 1 1 1 1 137 CYS TYR 0.04 4919 1 1 1 1 137 CYS ILE 0.02 4919 1 1 1 1 137 CYS GLY 0.01 4919 1 1 1 1 137 CYS ASN 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4919 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4919 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4919 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4919 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4919 _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_