data_AVS_bmrb_pdb_report_10249 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10249 _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 13 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10249 1 1 1 1 20 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 10249 1 1 1 1 101 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10249 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 13 GLU C 175.451 . 176.93 2.11 4.8334e-01 10249 1 1 1 1 13 GLU CA 57.634 . 57.42 2.19 9.2216e-01 10249 1 1 1 1 13 GLU CB 28.567 . 30.07 1.84 4.1402e-01 10249 1 1 1 1 13 GLU CG 35.245 . 36.01 1.51 6.1242e-01 10249 1 1 1 1 13 GLU H 8.043 . 8.34 0.61 6.2634e-01 10249 1 1 1 1 13 GLU HA 3.333 . 4.26 0.43 3.1098e-02 10249 1 1 1 1 13 GLU HB2 0.943 S 2.04 0.22 6.1526e-07 10249 1 1 1 1 13 GLU HB3 0.684 S 2.04 0.23 3.7320e-09 10249 1 1 1 1 13 GLU HG2 1.156 S 2.31 0.21 3.9018e-08 10249 1 1 1 1 13 GLU HG3 0.453 A 2.31 0.21 9.3301e-19 10249 1 1 1 1 13 GLU N 113.498 . 120.68 3.68 5.0982e-02 10249 1 1 1 1 20 LYS C 172.760 . 176.46 2.05 7.1094e-02 10249 1 1 1 1 20 LYS CA 57.298 . 56.84 2.25 8.3870e-01 10249 1 1 1 1 20 LYS CB 36.458 . 32.83 1.88 5.3633e-02 10249 1 1 1 1 20 LYS CG 25.354 . 24.91 1.31 7.3466e-01 10249 1 1 1 1 20 LYS CD 28.890 . 28.78 1.39 9.3692e-01 10249 1 1 1 1 20 LYS CE 40.076 . 41.78 0.98 8.2074e-02 10249 1 1 1 1 20 LYS H 7.620 . 8.22 0.64 3.4850e-01 10249 1 1 1 1 20 LYS HA 4.325 . 4.28 0.45 9.2034e-01 10249 1 1 1 1 20 LYS HB2 1.354 . 1.79 0.25 8.1159e-02 10249 1 1 1 1 20 LYS HB3 1.091 . 1.78 0.26 8.0492e-03 10249 1 1 1 1 20 LYS HG2 0.190 S 1.38 0.27 1.0462e-05 10249 1 1 1 1 20 LYS HG3 1.029 . 1.37 0.29 2.3965e-01 10249 1 1 1 1 20 LYS HD2 -0.384 A 1.61 0.25 1.5115e-15 10249 1 1 1 1 20 LYS HD3 0.735 S 1.61 0.25 4.6526e-04 10249 1 1 1 1 20 LYS HE2 1.113 A 2.93 0.2 1.0370e-19 10249 1 1 1 1 20 LYS HE3 1.544 S 2.93 0.2 4.2084e-12 10249 1 1 1 1 20 LYS N 121.749 . 121.16 4.11 8.8605e-01 10249 1 1 1 1 101 GLN C 175.390 . 176.39 1.96 6.0991e-01 10249 1 1 1 1 101 GLN CA 54.934 . 56.62 2.19 4.4138e-01 10249 1 1 1 1 101 GLN CB 32.222 . 29.1 1.97 1.1302e-01 10249 1 1 1 1 101 GLN CG 33.825 . 33.72 1.1 9.2395e-01 10249 1 1 1 1 101 GLN H 8.717 . 8.22 0.62 4.2278e-01 10249 1 1 1 1 101 GLN HA 4.886 . 4.28 0.44 1.6843e-01 10249 1 1 1 1 101 GLN HB2 1.654 . 2.05 0.28 1.5728e-01 10249 1 1 1 1 101 GLN HB3 1.197 . 2.04 0.29 3.6503e-03 10249 1 1 1 1 101 GLN HG2 2.144 . 2.32 0.29 5.4392e-01 10249 1 1 1 1 101 GLN HG3 1.886 . 2.32 0.29 1.3451e-01 10249 1 1 1 1 101 GLN HE21 4.973 A 7.17 0.46 1.7874e-06 10249 1 1 1 1 101 GLN HE22 6.174 . 7.07 0.49 6.7464e-02 10249 1 1 1 1 101 GLN N 117.786 . 119.92 4.01 5.9461e-01 10249 1 1 1 1 101 GLN NE2 107.578 . 111.81 2.2 5.4400e-02 10249 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 13 GLU CYS 0.3 10249 1 1 1 1 13 GLU GLU 0.25 10249 1 1 1 1 13 GLU LYS 0.18 10249 1 1 1 1 13 GLU GLN 0.16 10249 1 1 1 1 13 GLU ILE 0.05 10249 1 1 1 1 13 GLU MET 0.01 10249 1 1 1 1 13 GLU ARG 0.01 10249 1 1 1 1 20 LYS CYS 0.77 10249 1 1 1 1 20 LYS LYS 0.18 10249 1 1 1 1 20 LYS ARG 0.03 10249 1 1 1 1 101 GLN MET 0.39 10249 1 1 1 1 101 GLN CYS 0.32 10249 1 1 1 1 101 GLN GLN 0.16 10249 1 1 1 1 101 GLN GLU 0.08 10249 1 1 1 1 101 GLN LYS 0.02 10249 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10249 _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 10249 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10249 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10249 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10249 _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_