data_AVS_bmrb_pdb_report_18953 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18953 _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 21 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18953 1 1 1 1 111 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18953 1 1 1 1 155 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18953 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 21 SER C 179.0420 . 174.62 1.72 1.0143e-02 18953 1 1 1 1 21 SER CA 57.5860 . 58.72 2.07 5.8381e-01 18953 1 1 1 1 21 SER CB 65.7820 . 63.8 1.48 1.8051e-01 18953 1 1 1 1 21 SER H 7.9900 . 8.28 0.59 6.2305e-01 18953 1 1 1 1 21 SER HA 4.6580 . 4.48 0.4 6.5632e-01 18953 1 1 1 1 21 SER HB2 3.9400 . 3.88 0.25 8.1033e-01 18953 1 1 1 1 21 SER HB3 4.1700 . 3.85 0.27 2.3594e-01 18953 1 1 1 1 21 SER N 179.0420 A 116.28 3.52 4.1258e-71 18953 1 1 1 1 111 PRO CA 64.1440 . 63.33 1.52 5.9229e-01 18953 1 1 1 1 111 PRO CB 31.9090 . 31.85 1.18 9.6012e-01 18953 1 1 1 1 111 PRO CG 26.0970 . 27.17 1.09 3.2492e-01 18953 1 1 1 1 111 PRO CD 51.3130 . 50.32 0.99 3.1585e-01 18953 1 1 1 1 111 PRO HA 3.9710 . 4.4 0.33 1.9360e-01 18953 1 1 1 1 111 PRO HD2 3.5620 . 3.65 0.35 8.0148e-01 18953 1 1 1 1 111 PRO HD3 4.0680 . 3.61 0.39 2.4025e-01 18953 1 1 1 1 111 PRO N 176.2700 A 134.16 6.62 2.0041e-10 18953 1 1 1 1 155 TYR C 174.6390 . 175.4 1.99 7.0216e-01 18953 1 1 1 1 155 TYR CA 57.3690 . 58.13 2.51 7.6175e-01 18953 1 1 1 1 155 TYR CB 38.3990 . 39.32 2.16 6.6982e-01 18953 1 1 1 1 155 TYR H 7.6380 . 8.32 0.73 3.5018e-01 18953 1 1 1 1 155 TYR HA 1.1630 A 4.63 0.56 5.9757e-10 18953 1 1 1 1 155 TYR N 119.3860 . 120.52 4.2 7.8716e-01 18953 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 21 SER SER 0.97 18953 1 1 1 1 21 SER THR 0.02 18953 1 1 1 1 111 PRO PRO 0.76 18953 1 1 1 1 111 PRO CYS 0.23 18953 1 1 1 1 155 TYR TYR 0.28 18953 1 1 1 1 155 TYR PHE 0.23 18953 1 1 1 1 155 TYR CYS 0.19 18953 1 1 1 1 155 TYR ILE 0.09 18953 1 1 1 1 155 TYR GLU 0.05 18953 1 1 1 1 155 TYR ASP 0.04 18953 1 1 1 1 155 TYR ASN 0.04 18953 1 1 1 1 155 TYR LEU 0.02 18953 1 1 1 1 155 TYR MET 0.01 18953 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18953 _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 18953 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18953 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18953 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18953 _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_