data_AVS_bmrb_pdb_report_10264 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10264 _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 65 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10264 1 1 1 1 144 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10264 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 65 VAL CA 60.877 . 62.48 3.04 5.9798e-01 10264 1 1 1 1 65 VAL CB 31.614 . 32.66 1.91 5.8394e-01 10264 1 1 1 1 65 VAL CG1 21.602 . 21.38 1.53 8.8463e-01 10264 1 1 1 1 65 VAL CG2 22.211 . 21.31 1.76 6.0870e-01 10264 1 1 1 1 65 VAL H 11.467 A 8.29 0.71 7.6537e-06 10264 1 1 1 1 65 VAL HA 4.446 . 4.16 0.57 6.1584e-01 10264 1 1 1 1 65 VAL HB 2.520 . 1.99 0.33 1.0826e-01 10264 1 1 1 1 65 VAL HG11 1.060 . 0.84 0.27 4.1518e-01 10264 1 1 1 1 65 VAL HG12 1.060 . 0.84 0.27 4.1518e-01 10264 1 1 1 1 65 VAL HG13 1.060 . 0.84 0.27 4.1518e-01 10264 1 1 1 1 65 VAL HG21 1.195 . 0.83 0.29 2.0817e-01 10264 1 1 1 1 65 VAL HG22 1.195 . 0.83 0.29 2.0817e-01 10264 1 1 1 1 65 VAL HG23 1.195 . 0.83 0.29 2.0817e-01 10264 1 1 1 1 65 VAL N 129.356 . 121.02 4.96 9.2832e-02 10264 1 1 1 1 144 LYS C 182.183 A 176.46 2.05 5.2431e-03 10264 1 1 1 1 144 LYS CA 59.923 . 56.84 2.25 1.7062e-01 10264 1 1 1 1 144 LYS CB 32.681 . 32.83 1.88 9.3683e-01 10264 1 1 1 1 144 LYS CG 26.994 . 24.91 1.31 1.1165e-01 10264 1 1 1 1 144 LYS CD 30.310 . 28.78 1.39 2.7102e-01 10264 1 1 1 1 144 LYS CE 41.993 . 41.78 0.98 8.2794e-01 10264 1 1 1 1 144 LYS H 8.896 . 8.22 0.64 2.9085e-01 10264 1 1 1 1 144 LYS HA 4.841 . 4.28 0.45 2.1252e-01 10264 1 1 1 1 144 LYS HB2 2.025 . 1.79 0.25 3.4722e-01 10264 1 1 1 1 144 LYS HB3 1.921 . 1.78 0.26 5.8761e-01 10264 1 1 1 1 144 LYS HG2 1.769 . 1.38 0.27 1.4966e-01 10264 1 1 1 1 144 LYS HG3 1.662 . 1.37 0.29 3.1398e-01 10264 1 1 1 1 144 LYS HD2 1.646 . 1.61 0.25 8.8550e-01 10264 1 1 1 1 144 LYS HD3 1.540 . 1.61 0.25 7.7948e-01 10264 1 1 1 1 144 LYS HE2 3.042 . 2.93 0.2 5.7548e-01 10264 1 1 1 1 144 LYS HE3 2.558 . 2.93 0.2 6.2886e-02 10264 1 1 1 1 144 LYS N 122.202 . 121.16 4.11 7.9986e-01 10264 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 65 VAL VAL 0.62 10264 1 1 1 1 65 VAL CYS 0.37 10264 1 1 1 1 144 LYS CYS 0.42 10264 1 1 1 1 144 LYS ARG 0.35 10264 1 1 1 1 144 LYS LYS 0.19 10264 1 1 1 1 144 LYS GLY 0.01 10264 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10264 _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 10264 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10264 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10264 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10264 _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_