data_AVS_bmrb_pdb_report_16708 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16708 _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 10 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16708 1 1 1 1 62 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16708 1 1 1 1 95 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16708 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 10 GLN C 169.9 A 176.39 1.96 9.2889e-04 16708 1 1 1 1 10 GLN CA 50.1 . 56.62 2.19 2.9092e-03 16708 1 1 1 1 10 GLN CB 27.5 . 29.1 1.97 4.1669e-01 16708 1 1 1 1 10 GLN H 8.00 . 8.22 0.62 7.2271e-01 16708 1 1 1 1 10 GLN N 118.5 . 119.92 4.01 7.2325e-01 16708 1 1 1 1 62 CYS C 168.1 A 174.78 1.99 7.8855e-04 16708 1 1 1 1 62 CYS CA 52.7 . 57.43 3.41 1.6541e-01 16708 1 1 1 1 62 CYS CB 29.4 . 34.15 6.77 4.8291e-01 16708 1 1 1 1 62 CYS H 9.07 . 8.42 0.66 3.2470e-01 16708 1 1 1 1 62 CYS HA 5.24 . 4.73 0.57 3.7093e-01 16708 1 1 1 1 62 CYS HB2 2.55 . 2.95 0.43 3.5225e-01 16708 1 1 1 1 62 CYS HB3 2.78 . 2.98 0.45 6.5672e-01 16708 1 1 1 1 62 CYS N 114.3 . 119.95 4.79 2.3818e-01 16708 1 1 1 1 95 LYS C 169.6 A 176.46 2.05 8.1885e-04 16708 1 1 1 1 95 LYS CA 50.7 . 56.84 2.25 6.3548e-03 16708 1 1 1 1 95 LYS CB 31.1 . 32.83 1.88 3.5746e-01 16708 1 1 1 1 95 LYS H 8.96 . 8.22 0.64 2.4758e-01 16708 1 1 1 1 95 LYS N 123.3 . 121.16 4.11 6.0259e-01 16708 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 10 GLN PRO 0.85 16708 1 1 1 1 10 GLN CYS 0.05 16708 1 1 1 1 10 GLN LEU 0.03 16708 1 1 1 1 10 GLN ARG 0.01 16708 1 1 1 1 10 GLN HIS 0.01 16708 1 1 1 1 62 CYS HIS 0.19 16708 1 1 1 1 62 CYS CYS 0.19 16708 1 1 1 1 62 CYS GLN 0.12 16708 1 1 1 1 62 CYS LYS 0.1 16708 1 1 1 1 62 CYS ARG 0.1 16708 1 1 1 1 62 CYS TRP 0.1 16708 1 1 1 1 62 CYS MET 0.06 16708 1 1 1 1 62 CYS GLU 0.05 16708 1 1 1 1 62 CYS LEU 0.02 16708 1 1 1 1 62 CYS PRO 0.01 16708 1 1 1 1 95 LYS PRO 0.71 16708 1 1 1 1 95 LYS CYS 0.11 16708 1 1 1 1 95 LYS HIS 0.04 16708 1 1 1 1 95 LYS MET 0.04 16708 1 1 1 1 95 LYS ARG 0.02 16708 1 1 1 1 95 LYS TRP 0.02 16708 1 1 1 1 95 LYS LYS 0.01 16708 1 1 1 1 95 LYS GLN 0.01 16708 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16708 _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 16708 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16708 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16708 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16708 _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_