data_AVS_bmrb_pdb_report_10296 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10296 _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 30 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10296 1 1 1 1 58 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10296 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 30 LYS C 175.844 . 176.46 2.05 7.6380e-01 10296 1 1 1 1 30 LYS CA 56.583 . 56.84 2.25 9.0906e-01 10296 1 1 1 1 30 LYS CB 32.421 . 32.83 1.88 8.2778e-01 10296 1 1 1 1 30 LYS CG 24.246 . 24.91 1.31 6.1225e-01 10296 1 1 1 1 30 LYS CD 27.728 . 28.78 1.39 4.4915e-01 10296 1 1 1 1 30 LYS CE 41.338 . 41.78 0.98 6.5197e-01 10296 1 1 1 1 30 LYS H 7.942 . 8.22 0.64 6.6402e-01 10296 1 1 1 1 30 LYS HA 3.765 . 4.28 0.45 2.5244e-01 10296 1 1 1 1 30 LYS HB2 0.919 S 1.79 0.25 4.9398e-04 10296 1 1 1 1 30 LYS HB3 1.345 . 1.78 0.26 9.4312e-02 10296 1 1 1 1 30 LYS HG2 0.097 S 1.38 0.27 2.0156e-06 10296 1 1 1 1 30 LYS HG3 0.734 . 1.37 0.29 2.8300e-02 10296 1 1 1 1 30 LYS HD2 0.084 A 1.61 0.25 1.0345e-09 10296 1 1 1 1 30 LYS HD3 0.084 A 1.61 0.25 1.0345e-09 10296 1 1 1 1 30 LYS HE2 1.885 S 2.93 0.2 1.7416e-07 10296 1 1 1 1 30 LYS HE3 1.610 S 2.93 0.2 4.1116e-11 10296 1 1 1 1 30 LYS N 123.132 . 121.16 4.11 6.3137e-01 10296 1 1 1 1 58 ARG C 180.044 . 176.49 2.16 9.9893e-02 10296 1 1 1 1 58 ARG CA 56.568 . 56.95 2.41 8.7406e-01 10296 1 1 1 1 58 ARG CB 28.155 . 30.66 1.77 1.5699e-01 10296 1 1 1 1 58 ARG CG 24.138 . 27.31 1.65 5.4552e-02 10296 1 1 1 1 58 ARG CD 40.549 . 43.1 1.1 2.0390e-02 10296 1 1 1 1 58 ARG H 8.575 . 8.24 0.6 5.7662e-01 10296 1 1 1 1 58 ARG HA 3.463 . 4.27 0.44 6.6641e-02 10296 1 1 1 1 58 ARG HB2 -0.578 A 1.79 0.28 2.7401e-17 10296 1 1 1 1 58 ARG HB3 0.646 S 1.78 0.28 5.1218e-05 10296 1 1 1 1 58 ARG HG2 -0.254 S 1.58 0.27 1.1014e-11 10296 1 1 1 1 58 ARG HG3 -0.589 A 1.58 0.27 9.4859e-16 10296 1 1 1 1 58 ARG HD2 2.022 S 3.13 0.23 1.4545e-06 10296 1 1 1 1 58 ARG HD3 2.359 S 3.13 0.22 4.5739e-04 10296 1 1 1 1 58 ARG HE 9.557 S 7.32 0.52 1.6932e-05 10296 1 1 1 1 58 ARG N 124.441 . 120.61 3.9 3.2595e-01 10296 1 1 1 1 58 ARG NE 89.298 . 89.8 12.83 9.6879e-01 10296 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 30 LYS LYS 0.67 10296 1 1 1 1 30 LYS ARG 0.32 10296 1 1 1 1 58 ARG LYS 0.5 10296 1 1 1 1 58 ARG LEU 0.47 10296 1 1 1 1 58 ARG ARG 0.01 10296 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10296 _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 10296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10296 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10296 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10296 _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_