data_AVS_bmrb_pdb_report_17969 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17969 _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 1 ACE UNSUPPORTED . . . . . . . 17969 1 1 1 1 29 LYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HE3 > HB2" 0.9970 17969 1 1 1 1 29 LYS . . . . . . "HE3 > HB3" 0.9974 17969 1 1 1 1 29 LYS . . . . . . "HE3 > HD2" 0.9989 17969 1 1 1 1 232 NH UNSUPPORTED . . . . . . . 17969 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 17969 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 29 LYS H 7.308 . 8.19 0.6 1.4156e-01 17969 1 1 1 1 29 LYS HA 2.481 S 4.27 0.44 4.7846e-05 17969 1 1 1 1 29 LYS HB2 0.482 S 1.78 0.25 2.0805e-07 17969 1 1 1 1 29 LYS HB3 0.482 S 1.74 0.27 3.1735e-06 17969 1 1 1 1 29 LYS HG2 0.134 S 1.37 0.26 1.9958e-06 17969 1 1 1 1 29 LYS HG3 -0.838 S 1.35 0.28 5.5276e-15 17969 1 1 1 1 29 LYS HD2 0.575 S 1.61 0.22 2.5443e-06 17969 1 1 1 1 29 LYS HD3 -0.212 S 1.6 0.22 1.7752e-16 17969 1 1 1 1 29 LYS HE2 2.044 S 2.92 0.19 4.0165e-06 17969 1 1 1 1 29 LYS HE3 0.368 A 2.91 0.2 5.2034e-37 17969 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17969 _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 17969 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17969 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17969 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17969 _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_