data_AVS_bmrb_pdb_report_17553 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17553 _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 34 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17553 1 1 1 1 72 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17553 1 1 1 1 87 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17553 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 34 LYS C 178.265 . 176.46 2.05 3.7860e-01 17553 1 1 1 1 34 LYS CA 56.653 . 56.84 2.25 9.3376e-01 17553 1 1 1 1 34 LYS CB 27.195 . 32.83 1.88 2.7235e-03 17553 1 1 1 1 34 LYS CG 22.523 . 24.91 1.31 6.8434e-02 17553 1 1 1 1 34 LYS CD 26.412 . 28.78 1.39 8.8456e-02 17553 1 1 1 1 34 LYS CE 41.707 . 41.78 0.98 9.4062e-01 17553 1 1 1 1 34 LYS H 8.154 . 8.22 0.64 9.1786e-01 17553 1 1 1 1 34 LYS HA 3.188 . 4.28 0.45 1.5238e-02 17553 1 1 1 1 34 LYS HB2 0.251 S 1.79 0.25 7.4605e-10 17553 1 1 1 1 34 LYS HB3 -0.535 A 1.78 0.26 5.3944e-19 17553 1 1 1 1 34 LYS HG2 0.557 . 1.38 0.27 2.3026e-03 17553 1 1 1 1 34 LYS HG3 -0.064 S 1.37 0.29 7.6211e-07 17553 1 1 1 1 34 LYS HD2 1.169 . 1.61 0.25 7.7732e-02 17553 1 1 1 1 34 LYS HD3 0.811 . 1.61 0.25 1.3935e-03 17553 1 1 1 1 34 LYS HE3 2.421 . 2.93 0.2 1.0928e-02 17553 1 1 1 1 34 LYS N 119.952 . 121.16 4.11 7.6882e-01 17553 1 1 1 1 72 LYS C 178.857 . 176.46 2.05 2.4230e-01 17553 1 1 1 1 72 LYS CA 60.064 . 56.84 2.25 1.5189e-01 17553 1 1 1 1 72 LYS CB 33.519 . 32.83 1.88 7.1400e-01 17553 1 1 1 1 72 LYS CG 26.302 . 24.91 1.31 2.8797e-01 17553 1 1 1 1 72 LYS CD 30.225 . 28.78 1.39 2.9854e-01 17553 1 1 1 1 72 LYS CE 41.989 . 41.78 0.98 8.3112e-01 17553 1 1 1 1 72 LYS H 7.997 . 8.22 0.64 7.2751e-01 17553 1 1 1 1 72 LYS HA 3.627 . 4.28 0.45 1.4675e-01 17553 1 1 1 1 72 LYS HB2 1.860 . 1.79 0.25 7.7948e-01 17553 1 1 1 1 72 LYS HB3 1.504 . 1.78 0.26 2.8845e-01 17553 1 1 1 1 72 LYS HG2 1.286 . 1.38 0.27 7.2773e-01 17553 1 1 1 1 72 LYS HG3 -0.820 A 1.37 0.29 4.2953e-14 17553 1 1 1 1 72 LYS HD2 1.369 . 1.61 0.25 3.3505e-01 17553 1 1 1 1 72 LYS HD3 1.281 . 1.61 0.25 1.8817e-01 17553 1 1 1 1 72 LYS HE3 2.438 . 2.93 0.2 1.3894e-02 17553 1 1 1 1 72 LYS N 117.767 . 121.16 4.11 4.0906e-01 17553 1 1 1 1 87 ARG C 176.351 . 176.49 2.16 9.4869e-01 17553 1 1 1 1 87 ARG CA 56.978 . 56.95 2.41 9.9073e-01 17553 1 1 1 1 87 ARG CB 29.789 . 30.66 1.77 6.2266e-01 17553 1 1 1 1 87 ARG CG 25.689 . 27.31 1.65 3.2589e-01 17553 1 1 1 1 87 ARG CD 42.798 . 43.1 1.1 7.8367e-01 17553 1 1 1 1 87 ARG H 6.973 . 8.24 0.6 3.4715e-02 17553 1 1 1 1 87 ARG HA 3.344 . 4.27 0.44 3.5331e-02 17553 1 1 1 1 87 ARG HB2 1.225 . 1.79 0.28 4.3606e-02 17553 1 1 1 1 87 ARG HB3 0.810 S 1.78 0.28 5.3164e-04 17553 1 1 1 1 87 ARG HG2 -0.374 S 1.58 0.27 4.5859e-13 17553 1 1 1 1 87 ARG HG3 -0.252 A 1.58 0.27 1.1594e-11 17553 1 1 1 1 87 ARG HD2 2.470 . 3.13 0.23 4.1104e-03 17553 1 1 1 1 87 ARG HD3 2.623 . 3.13 0.22 2.1192e-02 17553 1 1 1 1 87 ARG HE 7.295 . 7.32 0.52 9.6166e-01 17553 1 1 1 1 87 ARG N 119.029 . 120.61 3.9 6.8519e-01 17553 1 1 1 1 87 ARG NE 115.346 . 89.8 12.83 4.6468e-02 17553 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 34 LYS LEU 0.49 17553 1 1 1 1 34 LYS CYS 0.34 17553 1 1 1 1 34 LYS ARG 0.13 17553 1 1 1 1 34 LYS ALA 0.02 17553 1 1 1 1 72 LYS CYS 0.4 17553 1 1 1 1 72 LYS ARG 0.29 17553 1 1 1 1 72 LYS LYS 0.27 17553 1 1 1 1 72 LYS MET 0.01 17553 1 1 1 1 72 LYS GLY 0.01 17553 1 1 1 1 87 ARG ARG 0.32 17553 1 1 1 1 87 ARG CYS 0.3 17553 1 1 1 1 87 ARG LYS 0.28 17553 1 1 1 1 87 ARG LEU 0.06 17553 1 1 1 1 87 ARG GLY 0.02 17553 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17553 _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.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 17553 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17553 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17553 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17553 _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_