data_AVS_bmrb_pdb_report_7086 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7086 _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 7086 1 1 1 1 21 LYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 7086 1 1 1 1 62 GLU Anomalous Consistent Consistent Anomalous Consistent 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 7086 1 1 1 1 21 LYS C 175.8 . 176.46 2.05 7.4749e-01 7086 1 1 1 1 21 LYS CA 63.1 M 56.84 2.25 5.3988e-03 7086 1 1 1 1 21 LYS CB 31.3 . 32.83 1.88 4.1574e-01 7086 1 1 1 1 21 LYS CG 25.2 . 24.91 1.31 8.2480e-01 7086 1 1 1 1 21 LYS CD 29.4 . 28.78 1.39 6.5557e-01 7086 1 1 1 1 21 LYS CE 42.0 . 41.78 0.98 8.2238e-01 7086 1 1 1 1 21 LYS HA 4.55 . 4.28 0.45 5.4851e-01 7086 1 1 1 1 21 LYS HB2 1.97 . 1.79 0.25 4.7153e-01 7086 1 1 1 1 21 LYS HB3 1.76 . 1.78 0.26 9.3868e-01 7086 1 1 1 1 21 LYS HG2 1.49 . 1.38 0.27 6.8371e-01 7086 1 1 1 1 21 LYS HG3 1.42 . 1.37 0.29 8.6311e-01 7086 1 1 1 1 21 LYS HD2 1.71 . 1.61 0.25 6.8916e-01 7086 1 1 1 1 21 LYS HD3 1.71 . 1.61 0.25 6.8916e-01 7086 1 1 1 1 21 LYS HE2 3.03 . 2.93 0.2 6.1707e-01 7086 1 1 1 1 21 LYS HE3 3.03 . 2.93 0.2 6.1707e-01 7086 1 1 1 1 62 GLU C 176.7 . 176.93 2.11 9.1320e-01 7086 1 1 1 1 62 GLU CA 57.7 . 57.42 2.19 8.9826e-01 7086 1 1 1 1 62 GLU CB 28.0 . 30.07 1.84 2.6059e-01 7086 1 1 1 1 62 GLU CG 35.1 . 36.01 1.51 5.4674e-01 7086 1 1 1 1 62 GLU H 10.00 . 8.34 0.61 6.5023e-03 7086 1 1 1 1 62 GLU HA 4.30 . 4.26 0.43 9.2589e-01 7086 1 1 1 1 62 GLU HB2 1.77 . 2.04 0.22 2.1972e-01 7086 1 1 1 1 62 GLU HB3 1.68 . 2.04 0.23 1.1753e-01 7086 1 1 1 1 62 GLU HG2 1.60 S 2.31 0.21 7.2235e-04 7086 1 1 1 1 62 GLU HG3 0.98 M 2.31 0.21 2.3992e-10 7086 1 1 1 1 62 GLU N 122.2 . 120.68 3.68 6.7957e-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 7086 1 1 1 1 21 LYS CYS 0.53 7086 1 1 1 1 21 LYS LYS 0.28 7086 1 1 1 1 21 LYS ARG 0.12 7086 1 1 1 1 21 LYS GLY 0.04 7086 1 1 1 1 62 GLU CYS 0.32 7086 1 1 1 1 62 GLU GLU 0.21 7086 1 1 1 1 62 GLU LYS 0.19 7086 1 1 1 1 62 GLU GLN 0.17 7086 1 1 1 1 62 GLU ILE 0.06 7086 1 1 1 1 62 GLU ARG 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7086 _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 7086 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 7086 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7086 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7086 _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_