data_AVS_bmrb_pdb_report_27165 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27165 _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 58 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27165 1 1 1 1 105 LYS Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 27165 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 58 SER C 174.6700 . 174.62 1.72 9.7681e-01 27165 1 1 1 1 58 SER CA 59.8300 . 58.72 2.07 5.9180e-01 27165 1 1 1 1 58 SER CB 60.1500 . 63.8 1.48 1.3655e-02 27165 1 1 1 1 58 SER H 7.6500 . 8.28 0.59 2.8561e-01 27165 1 1 1 1 58 SER HA 2.4800 S 4.48 0.4 5.7330e-07 27165 1 1 1 1 58 SER HB2 1.8800 S 3.88 0.25 1.2442e-15 27165 1 1 1 1 58 SER HB3 1.4700 A 3.85 0.27 1.1988e-18 27165 1 1 1 1 58 SER N 121.5000 . 116.28 3.52 1.3809e-01 27165 1 1 1 1 105 LYS C 178.2000 . 176.64 2 4.3539e-01 27165 1 1 1 1 105 LYS CA 57.4200 . 56.95 2.2 8.3083e-01 27165 1 1 1 1 105 LYS CB 31.1700 . 32.79 1.78 3.6276e-01 27165 1 1 1 1 105 LYS CG 24.0000 . 24.89 1.13 4.3092e-01 27165 1 1 1 1 105 LYS CD 41.7000 A 28.96 1.08 4.0787e-32 27165 1 1 1 1 105 LYS H 8.5700 . 8.19 0.6 5.2652e-01 27165 1 1 1 1 105 LYS HA 4.1100 . 4.27 0.44 7.1613e-01 27165 1 1 1 1 105 LYS HB2 1.7100 . 1.78 0.25 7.7948e-01 27165 1 1 1 1 105 LYS HB3 1.7100 . 1.74 0.27 9.1153e-01 27165 1 1 1 1 105 LYS HG2 1.3400 . 1.37 0.26 9.0814e-01 27165 1 1 1 1 105 LYS HG3 1.4200 . 1.35 0.28 8.0259e-01 27165 1 1 1 1 105 LYS HD2 2.9700 S 1.61 0.22 6.3367e-10 27165 1 1 1 1 105 LYS HD3 2.9900 S 1.6 0.22 2.6466e-10 27165 1 1 1 1 105 LYS N 128.0600 . 121.05 3.77 6.2968e-02 27165 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 58 SER SER 0.99 27165 1 1 1 1 105 LYS CYS 0.94 27165 1 1 1 1 105 LYS ARG 0.03 27165 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27165 _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 27165 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27165 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27165 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27165 _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_