data_AVS_bmrb_pdb_report_10295 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10295 _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 40 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10295 1 1 1 1 68 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10295 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 40 LYS C 174.530 . 176.46 2.05 3.4647e-01 10295 1 1 1 1 40 LYS CA 56.459 . 56.84 2.25 8.6553e-01 10295 1 1 1 1 40 LYS CB 32.276 . 32.83 1.88 7.6824e-01 10295 1 1 1 1 40 LYS CG 23.965 . 24.91 1.31 4.7068e-01 10295 1 1 1 1 40 LYS CD 27.108 . 28.78 1.39 2.2902e-01 10295 1 1 1 1 40 LYS CE 41.523 . 41.78 0.98 7.9313e-01 10295 1 1 1 1 40 LYS H 8.474 . 8.22 0.64 6.9146e-01 10295 1 1 1 1 40 LYS HA 3.598 . 4.28 0.45 1.2963e-01 10295 1 1 1 1 40 LYS HB2 0.943 S 1.79 0.25 7.0404e-04 10295 1 1 1 1 40 LYS HB3 1.526 . 1.78 0.26 3.2861e-01 10295 1 1 1 1 40 LYS HG2 0.462 S 1.38 0.27 6.7386e-04 10295 1 1 1 1 40 LYS HG3 0.637 . 1.37 0.29 1.1485e-02 10295 1 1 1 1 40 LYS HD2 -0.372 A 1.61 0.25 2.2270e-15 10295 1 1 1 1 40 LYS HD3 -0.149 A 1.61 0.25 1.9784e-12 10295 1 1 1 1 40 LYS HE2 1.733 S 2.93 0.2 2.1639e-09 10295 1 1 1 1 40 LYS HE3 2.026 S 2.93 0.2 6.1840e-06 10295 1 1 1 1 40 LYS N 125.122 . 121.16 4.11 3.3505e-01 10295 1 1 1 1 68 ARG C 179.992 . 176.49 2.16 1.0495e-01 10295 1 1 1 1 68 ARG CA 56.391 . 56.95 2.41 8.1658e-01 10295 1 1 1 1 68 ARG CB 27.959 . 30.66 1.77 1.2701e-01 10295 1 1 1 1 68 ARG CG 23.173 . 27.31 1.65 1.2167e-02 10295 1 1 1 1 68 ARG CD 40.636 . 43.1 1.1 2.5091e-02 10295 1 1 1 1 68 ARG H 8.533 . 8.24 0.6 6.2531e-01 10295 1 1 1 1 68 ARG HA 3.430 . 4.27 0.44 5.6250e-02 10295 1 1 1 1 68 ARG HB2 -0.611 A 1.79 0.28 9.9087e-18 10295 1 1 1 1 68 ARG HB3 0.507 S 1.78 0.28 5.4564e-06 10295 1 1 1 1 68 ARG HG2 -0.374 S 1.58 0.27 4.5859e-13 10295 1 1 1 1 68 ARG HG3 -0.656 A 1.58 0.27 1.2165e-16 10295 1 1 1 1 68 ARG HD2 2.401 . 3.13 0.23 1.5267e-03 10295 1 1 1 1 68 ARG HD3 2.065 S 3.13 0.22 1.2925e-06 10295 1 1 1 1 68 ARG HE 9.375 S 7.32 0.52 7.7526e-05 10295 1 1 1 1 68 ARG N 123.922 . 120.61 3.9 3.9575e-01 10295 1 1 1 1 68 ARG NE 89.041 . 89.8 12.83 9.5283e-01 10295 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 40 LYS LYS 0.57 10295 1 1 1 1 40 LYS ARG 0.39 10295 1 1 1 1 40 LYS MET 0.02 10295 1 1 1 1 68 ARG LEU 0.58 10295 1 1 1 1 68 ARG LYS 0.39 10295 1 1 1 1 68 ARG ALA 0.01 10295 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10295 _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 10295 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10295 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10295 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10295 _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_