data_AVS_bmrb_pdb_report_15344 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15344 _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 15344 1 1 1 1 38 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15344 1 1 1 1 53 ARG 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 15344 1 1 1 1 38 LYS C 178.935 . 176.46 2.05 2.2731e-01 15344 1 1 1 1 38 LYS CA 59.846 . 56.84 2.25 1.8155e-01 15344 1 1 1 1 38 LYS CB 33.310 . 32.83 1.88 7.9848e-01 15344 1 1 1 1 38 LYS CG 25.028 . 24.91 1.31 9.2823e-01 15344 1 1 1 1 38 LYS CD 29.439 . 28.78 1.39 6.3543e-01 15344 1 1 1 1 38 LYS CE 41.506 . 41.78 0.98 7.7979e-01 15344 1 1 1 1 38 LYS H 7.514 . 8.22 0.64 2.6997e-01 15344 1 1 1 1 38 LYS HA 3.592 . 4.28 0.45 1.2629e-01 15344 1 1 1 1 38 LYS HB2 1.309 . 1.79 0.25 5.4355e-02 15344 1 1 1 1 38 LYS HB3 0.781 S 1.78 0.26 1.2188e-04 15344 1 1 1 1 38 LYS HG2 -1.114 M 1.38 0.27 2.5342e-20 15344 1 1 1 1 38 LYS HG3 -1.114 M 1.37 0.29 1.0759e-17 15344 1 1 1 1 38 LYS HD2 0.579 S 1.61 0.25 3.7235e-05 15344 1 1 1 1 38 LYS HD3 0.231 M 1.61 0.25 3.4680e-08 15344 1 1 1 1 38 LYS HE2 2.318 . 2.93 0.2 2.2134e-03 15344 1 1 1 1 38 LYS HE3 2.124 S 2.93 0.2 5.5777e-05 15344 1 1 1 1 38 LYS N 118.200 . 121.16 4.11 4.7141e-01 15344 1 1 1 1 53 ARG C 177.698 . 176.49 2.16 5.7598e-01 15344 1 1 1 1 53 ARG CA 58.635 . 56.95 2.41 4.8445e-01 15344 1 1 1 1 53 ARG CB 30.257 . 30.66 1.77 8.1989e-01 15344 1 1 1 1 53 ARG CG 25.911 . 27.31 1.65 3.9651e-01 15344 1 1 1 1 53 ARG CD 43.167 . 43.1 1.1 9.5143e-01 15344 1 1 1 1 53 ARG CZ 177.698 M 159.01 0.87 0.0000e+00 15344 1 1 1 1 53 ARG H 8.213 . 8.24 0.6 9.6411e-01 15344 1 1 1 1 53 ARG HA 3.740 . 4.27 0.44 2.2838e-01 15344 1 1 1 1 53 ARG HB2 1.860 . 1.79 0.28 8.0259e-01 15344 1 1 1 1 53 ARG HB3 1.739 . 1.78 0.28 8.8358e-01 15344 1 1 1 1 53 ARG HG2 1.711 . 1.58 0.27 6.2754e-01 15344 1 1 1 1 53 ARG HG3 1.549 . 1.58 0.27 9.0859e-01 15344 1 1 1 1 53 ARG HD2 3.226 . 3.13 0.23 6.7639e-01 15344 1 1 1 1 53 ARG HD3 3.131 . 3.13 0.22 9.9637e-01 15344 1 1 1 1 53 ARG HE 7.149 . 7.32 0.52 7.4227e-01 15344 1 1 1 1 53 ARG N 116.853 . 120.61 3.9 3.3538e-01 15344 1 1 1 1 53 ARG NE 85.159 . 89.8 12.83 7.1755e-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 15344 1 1 1 1 38 LYS LYS 0.77 15344 1 1 1 1 38 LYS ARG 0.19 15344 1 1 1 1 38 LYS MET 0.02 15344 1 1 1 1 53 ARG GLY 0.54 15344 1 1 1 1 53 ARG ASP 0.44 15344 1 1 1 1 53 ARG GLN 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15344 _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 15344 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 15344 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15344 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15344 _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_