data_AVS_bmrb_pdb_report_7059 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7059 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7059 1 1 1 1 102 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7059 1 1 1 1 147 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7059 1 1 1 1 168 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7059 1 1 1 1 184 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7059 1 1 1 1 102 ALA C 178.600 . 177.8 2.18 7.1364e-01 7059 1 1 1 1 102 ALA CA 53.409 . 53.16 2.06 9.0379e-01 7059 1 1 1 1 102 ALA CB 18.538 . 18.9 1.85 8.4486e-01 7059 1 1 1 1 102 ALA H 7.990 . 8.2 0.6 7.2634e-01 7059 1 1 1 1 102 ALA HA 4.072 . 4.26 0.42 6.5443e-01 7059 1 1 1 1 102 ALA HB 3.115 M 1.38 0.25 3.9210e-12 7059 1 1 1 1 102 ALA N 123.024 . 123.23 3.7 9.5560e-01 7059 1 1 1 1 147 VAL C 181.625 M 175.69 2.03 3.4596e-03 7059 1 1 1 1 147 VAL CA 65.596 . 62.48 3.04 3.0536e-01 7059 1 1 1 1 147 VAL CB 31.443 . 32.66 1.91 5.2401e-01 7059 1 1 1 1 147 VAL CG1 19.902 . 21.38 1.53 3.3404e-01 7059 1 1 1 1 147 VAL CG2 22.115 . 21.31 1.76 6.4739e-01 7059 1 1 1 1 147 VAL H 7.469 . 8.29 0.71 2.4754e-01 7059 1 1 1 1 147 VAL HA 4.025 . 4.16 0.57 8.1278e-01 7059 1 1 1 1 147 VAL HB 2.014 . 1.99 0.33 9.4202e-01 7059 1 1 1 1 147 VAL HG1 1.082 . 0.84 0.27 3.7009e-01 7059 1 1 1 1 147 VAL HG2 1.145 . 0.83 0.29 2.7739e-01 7059 1 1 1 1 147 VAL N 118.561 . 121.02 4.96 6.2006e-01 7059 1 1 1 1 168 THR C 174.915 . 174.6 1.8 8.6108e-01 7059 1 1 1 1 168 THR CA 69.474 M 62.15 2.72 7.0887e-03 7059 1 1 1 1 168 THR CB 67.502 . 69.64 1.7 2.0852e-01 7059 1 1 1 1 168 THR CG2 19.428 . 21.44 1.39 1.4776e-01 7059 1 1 1 1 168 THR H 8.385 . 8.27 0.62 8.5285e-01 7059 1 1 1 1 168 THR HA 4.339 . 4.48 0.5 7.7794e-01 7059 1 1 1 1 168 THR HB 3.743 . 4.17 0.37 2.4848e-01 7059 1 1 1 1 168 THR HG2 1.077 . 1.16 0.28 7.6690e-01 7059 1 1 1 1 168 THR N 123.826 . 115.7 5.05 1.0759e-01 7059 1 1 1 1 184 CYS C 175.436 . 174.78 1.99 7.4167e-01 7059 1 1 1 1 184 CYS CA 57.611 . 57.43 3.41 9.5767e-01 7059 1 1 1 1 184 CYS CB 28.799 . 34.15 6.77 4.2930e-01 7059 1 1 1 1 184 CYS H 8.318 . 8.42 0.66 8.7718e-01 7059 1 1 1 1 184 CYS HA 4.848 . 4.73 0.57 8.3600e-01 7059 1 1 1 1 184 CYS HB2 2.793 . 2.95 0.43 7.1502e-01 7059 1 1 1 1 184 CYS HB3 2.793 . 2.98 0.45 6.7773e-01 7059 1 1 1 1 184 CYS HG 3.881 M 1.66 0.48 3.7085e-06 7059 1 1 1 1 184 CYS N 119.859 . 119.95 4.79 9.8484e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7059 1 1 1 1 102 ALA ALA 0.65 7059 1 1 1 1 102 ALA MET 0.31 7059 1 1 1 1 102 ALA CYS 0.02 7059 1 1 1 1 147 VAL VAL 0.92 7059 1 1 1 1 147 VAL CYS 0.07 7059 1 1 1 1 168 THR THR 0.91 7059 1 1 1 1 168 THR CYS 0.08 7059 1 1 1 1 184 CYS LYS 0.15 7059 1 1 1 1 184 CYS GLN 0.14 7059 1 1 1 1 184 CYS TRP 0.13 7059 1 1 1 1 184 CYS GLU 0.12 7059 1 1 1 1 184 CYS HIS 0.12 7059 1 1 1 1 184 CYS CYS 0.11 7059 1 1 1 1 184 CYS ARG 0.1 7059 1 1 1 1 184 CYS ILE 0.05 7059 1 1 1 1 184 CYS LEU 0.02 7059 1 1 1 1 184 CYS MET 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7059 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 7059 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 7059 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7059 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7059 _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_