data_AVS_bmrb_pdb_report_15706 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15706 _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 17 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15706 1 1 1 1 143 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15706 1 1 1 1 224 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15706 1 1 1 2 1 DFP UNSUPPORTED . . . . . . . 15706 1 1 1 3 1 CA UNSUPPORTED . . . . . . . 15706 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 17 HIS C 181.044 A 175.19 2.14 6.2283e-03 15706 1 1 1 1 17 HIS CA 57.709 . 56.37 2.4 5.7690e-01 15706 1 1 1 1 17 HIS CB 31.250 . 29.95 2.15 5.4541e-01 15706 1 1 1 1 17 HIS H 7.750 . 8.25 0.74 4.9925e-01 15706 1 1 1 1 17 HIS N 120.827 . 119.44 4.52 7.5895e-01 15706 1 1 1 1 143 VAL C 181.518 A 175.69 2.03 4.0926e-03 15706 1 1 1 1 143 VAL CA 66.031 . 62.48 3.04 2.4277e-01 15706 1 1 1 1 143 VAL CB 32.162 . 32.66 1.91 7.9430e-01 15706 1 1 1 1 143 VAL H 7.819 . 8.29 0.71 5.0709e-01 15706 1 1 1 1 143 VAL N 120.005 . 121.02 4.96 8.3786e-01 15706 1 1 1 1 224 THR CA 70.113 A 62.15 2.72 3.4162e-03 15706 1 1 1 1 224 THR CB 66.833 . 69.64 1.7 9.8703e-02 15706 1 1 1 1 224 THR H 7.646 . 8.27 0.62 3.1420e-01 15706 1 1 1 1 224 THR N 115.523 . 115.7 5.05 9.7204e-01 15706 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 17 HIS CYS 0.14 15706 1 1 1 1 17 HIS ARG 0.14 15706 1 1 1 1 17 HIS TRP 0.13 15706 1 1 1 1 17 HIS GLU 0.12 15706 1 1 1 1 17 HIS HIS 0.11 15706 1 1 1 1 17 HIS MET 0.1 15706 1 1 1 1 17 HIS LYS 0.1 15706 1 1 1 1 17 HIS GLN 0.07 15706 1 1 1 1 17 HIS VAL 0.03 15706 1 1 1 1 17 HIS ILE 0.01 15706 1 1 1 1 143 VAL VAL 0.59 15706 1 1 1 1 143 VAL PRO 0.29 15706 1 1 1 1 143 VAL ILE 0.05 15706 1 1 1 1 143 VAL CYS 0.04 15706 1 1 1 1 224 THR THR 0.99 15706 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15706 _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 15706 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15706 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15706 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15706 _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_