data_AVS_bmrb_pdb_report_19560 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19560 _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 2 14 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19560 1 1 1 2 108 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19560 1 1 1 2 109 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19560 1 1 1 2 139 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19560 1 1 1 2 146 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19560 1 1 1 2 186 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19560 1 1 1 2 208 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19560 1 1 1 2 231 PRO Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 19560 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 2 14 GLU C 183.52 A 176.87 1.95 6.4902e-04 19560 1 1 1 2 14 GLU CA 57.14 . 57.32 2.09 9.3137e-01 19560 1 1 1 2 14 GLU CB 25.53 . 30.01 1.72 9.1968e-03 19560 1 1 1 2 14 GLU H 8.83 . 8.33 0.59 3.9674e-01 19560 1 1 1 2 14 GLU N 120.47 . 120.67 3.48 9.5417e-01 19560 1 1 1 2 108 GLU C 183.96 A 176.87 1.95 2.7701e-04 19560 1 1 1 2 108 GLU CA 56.50 . 57.32 2.09 6.9480e-01 19560 1 1 1 2 108 GLU CB 25.46 . 30.01 1.72 8.1607e-03 19560 1 1 1 2 108 GLU H 8.69 . 8.33 0.59 5.4175e-01 19560 1 1 1 2 108 GLU N 119.35 . 120.67 3.48 7.0446e-01 19560 1 1 1 2 109 MET C 183.19 A 176.18 2.09 7.9633e-04 19560 1 1 1 2 109 MET CA 54.47 . 56.11 2.23 4.6208e-01 19560 1 1 1 2 109 MET CB 29.13 . 32.99 2.24 8.4850e-02 19560 1 1 1 2 109 MET H 7.56 . 8.26 0.6 2.4334e-01 19560 1 1 1 2 109 MET N 119.45 . 120.09 3.57 8.5772e-01 19560 1 1 1 2 139 GLU C 183.34 A 176.87 1.95 9.0681e-04 19560 1 1 1 2 139 GLU CA 55.90 . 57.32 2.09 4.9687e-01 19560 1 1 1 2 139 GLU CB 25.79 . 30.01 1.72 1.4148e-02 19560 1 1 1 2 139 GLU H 8.34 . 8.33 0.59 9.8648e-01 19560 1 1 1 2 139 GLU N 118.66 . 120.67 3.48 5.6354e-01 19560 1 1 1 2 146 GLU C 184.26 A 176.87 1.95 1.5080e-04 19560 1 1 1 2 146 GLU CA 55.53 . 57.32 2.09 3.9174e-01 19560 1 1 1 2 146 GLU CB 26.24 . 30.01 1.72 2.8390e-02 19560 1 1 1 2 146 GLU H 7.77 . 8.33 0.59 3.4254e-01 19560 1 1 1 2 146 GLU N 117.17 . 120.67 3.48 3.1454e-01 19560 1 1 1 2 186 ASP C 183.49 A 176.4 1.75 5.0906e-05 19560 1 1 1 2 186 ASP CA 54.73 . 54.69 2.03 9.8428e-01 19560 1 1 1 2 186 ASP CB 37.64 . 40.88 1.62 4.5500e-02 19560 1 1 1 2 186 ASP H 8.08 . 8.31 0.58 6.9170e-01 19560 1 1 1 2 186 ASP N 122.62 . 120.65 3.86 6.0980e-01 19560 1 1 1 2 208 GLN C 183.37 A 176.31 1.95 2.9402e-04 19560 1 1 1 2 208 GLN CA 55.51 . 56.57 2.14 6.2037e-01 19560 1 1 1 2 208 GLN CB 25.68 . 29.19 1.82 5.3784e-02 19560 1 1 1 2 208 GLN H 7.49 . 8.22 0.59 2.1598e-01 19560 1 1 1 2 208 GLN N 118.34 . 119.89 3.6 6.6679e-01 19560 1 1 1 2 231 PRO C 183.47 A 176.75 1.51 8.5738e-06 19560 1 1 1 2 231 PRO CA 63.06 . 63.33 1.52 8.5901e-01 19560 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 2 14 GLU LYS 0.3 19560 1 1 1 2 14 GLU LEU 0.24 19560 1 1 1 2 14 GLU CYS 0.17 19560 1 1 1 2 14 GLU ARG 0.13 19560 1 1 1 2 14 GLU GLN 0.04 19560 1 1 1 2 14 GLU ILE 0.03 19560 1 1 1 2 14 GLU TRP 0.02 19560 1 1 1 2 14 GLU HIS 0.02 19560 1 1 1 2 14 GLU GLU 0.01 19560 1 1 1 2 108 GLU LYS 0.3 19560 1 1 1 2 108 GLU LEU 0.29 19560 1 1 1 2 108 GLU CYS 0.15 19560 1 1 1 2 108 GLU ARG 0.12 19560 1 1 1 2 108 GLU GLN 0.04 19560 1 1 1 2 108 GLU TRP 0.02 19560 1 1 1 2 108 GLU HIS 0.02 19560 1 1 1 2 108 GLU ILE 0.02 19560 1 1 1 2 109 MET GLN 0.16 19560 1 1 1 2 109 MET HIS 0.16 19560 1 1 1 2 109 MET LYS 0.14 19560 1 1 1 2 109 MET CYS 0.12 19560 1 1 1 2 109 MET TRP 0.11 19560 1 1 1 2 109 MET ARG 0.11 19560 1 1 1 2 109 MET GLU 0.09 19560 1 1 1 2 109 MET MET 0.04 19560 1 1 1 2 109 MET LEU 0.02 19560 1 1 1 2 139 GLU LEU 0.28 19560 1 1 1 2 139 GLU LYS 0.23 19560 1 1 1 2 139 GLU ARG 0.16 19560 1 1 1 2 139 GLU CYS 0.14 19560 1 1 1 2 139 GLU GLN 0.06 19560 1 1 1 2 139 GLU HIS 0.03 19560 1 1 1 2 139 GLU TRP 0.03 19560 1 1 1 2 139 GLU ILE 0.01 19560 1 1 1 2 139 GLU GLU 0.01 19560 1 1 1 2 146 GLU LEU 0.3 19560 1 1 1 2 146 GLU ARG 0.21 19560 1 1 1 2 146 GLU CYS 0.13 19560 1 1 1 2 146 GLU LYS 0.13 19560 1 1 1 2 146 GLU GLN 0.08 19560 1 1 1 2 146 GLU HIS 0.04 19560 1 1 1 2 146 GLU TRP 0.04 19560 1 1 1 2 146 GLU GLU 0.02 19560 1 1 1 2 146 GLU ILE 0.01 19560 1 1 1 2 186 ASP ASN 0.31 19560 1 1 1 2 186 ASP CYS 0.18 19560 1 1 1 2 186 ASP TYR 0.13 19560 1 1 1 2 186 ASP PHE 0.1 19560 1 1 1 2 186 ASP GLU 0.09 19560 1 1 1 2 186 ASP ASP 0.06 19560 1 1 1 2 186 ASP MET 0.04 19560 1 1 1 2 186 ASP LEU 0.01 19560 1 1 1 2 186 ASP ILE 0.01 19560 1 1 1 2 208 GLN LEU 0.32 19560 1 1 1 2 208 GLN LYS 0.24 19560 1 1 1 2 208 GLN ARG 0.14 19560 1 1 1 2 208 GLN CYS 0.14 19560 1 1 1 2 208 GLN GLN 0.05 19560 1 1 1 2 208 GLN HIS 0.03 19560 1 1 1 2 208 GLN TRP 0.02 19560 1 1 1 2 208 GLN ILE 0.01 19560 1 1 1 2 208 GLN GLU 0.01 19560 1 1 1 2 231 PRO PRO 0.21 19560 1 1 1 2 231 PRO VAL 0.21 19560 1 1 1 2 231 PRO THR 0.18 19560 1 1 1 2 231 PRO SER 0.15 19560 1 1 1 2 231 PRO ILE 0.14 19560 1 1 1 2 231 PRO CYS 0.03 19560 1 1 1 2 231 PRO PHE 0.01 19560 1 1 1 2 231 PRO TYR 0.01 19560 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19560 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 19560 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19560 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19560 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19560 _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_