data_AVS_bmrb_pdb_report_10279 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10279 _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 14 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10279 1 1 1 1 21 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10279 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 14 LYS C 173.291 . 176.46 2.05 1.2214e-01 10279 1 1 1 1 14 LYS CA 56.465 . 56.84 2.25 8.6763e-01 10279 1 1 1 1 14 LYS CB 35.960 . 32.83 1.88 9.5934e-02 10279 1 1 1 1 14 LYS CG 24.848 . 24.91 1.31 9.6225e-01 10279 1 1 1 1 14 LYS CD 28.329 . 28.78 1.39 7.4559e-01 10279 1 1 1 1 14 LYS CE 39.826 . 41.78 0.98 4.6165e-02 10279 1 1 1 1 14 LYS H 7.093 . 8.22 0.64 7.8249e-02 10279 1 1 1 1 14 LYS HA 4.169 . 4.28 0.45 8.0517e-01 10279 1 1 1 1 14 LYS HB2 1.133 . 1.79 0.25 8.5889e-03 10279 1 1 1 1 14 LYS HB3 0.865 S 1.78 0.26 4.3280e-04 10279 1 1 1 1 14 LYS HG2 0.062 S 1.38 0.27 1.0529e-06 10279 1 1 1 1 14 LYS HG3 0.842 . 1.37 0.29 6.8654e-02 10279 1 1 1 1 14 LYS HD2 -0.318 A 1.61 0.25 1.2386e-14 10279 1 1 1 1 14 LYS HD3 0.702 S 1.61 0.25 2.8123e-04 10279 1 1 1 1 14 LYS HE2 1.532 S 2.93 0.2 2.7489e-12 10279 1 1 1 1 14 LYS HE3 1.212 A 2.93 0.2 8.6969e-18 10279 1 1 1 1 14 LYS N 118.693 . 121.16 4.11 5.4834e-01 10279 1 1 1 1 21 GLN C 175.157 . 176.39 1.96 5.2930e-01 10279 1 1 1 1 21 GLN CA 56.094 . 56.62 2.19 8.1019e-01 10279 1 1 1 1 21 GLN CB 28.434 . 29.1 1.97 7.3531e-01 10279 1 1 1 1 21 GLN CG 34.808 . 33.72 1.1 3.2262e-01 10279 1 1 1 1 21 GLN H 8.391 . 8.22 0.62 7.8270e-01 10279 1 1 1 1 21 GLN HA 3.791 . 4.28 0.44 2.6641e-01 10279 1 1 1 1 21 GLN HB2 -0.378 A 2.05 0.28 4.2673e-18 10279 1 1 1 1 21 GLN HB3 1.412 . 2.04 0.29 3.0348e-02 10279 1 1 1 1 21 GLN HG2 1.362 S 2.32 0.29 9.5504e-04 10279 1 1 1 1 21 GLN HG3 0.673 S 2.32 0.29 1.3524e-08 10279 1 1 1 1 21 GLN HE21 6.446 . 7.17 0.46 1.1551e-01 10279 1 1 1 1 21 GLN HE22 6.863 . 7.07 0.49 6.7270e-01 10279 1 1 1 1 21 GLN N 129.943 . 119.92 4.01 1.2437e-02 10279 1 1 1 1 21 GLN NE2 111.984 . 111.81 2.2 9.3696e-01 10279 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 14 LYS CYS 0.78 10279 1 1 1 1 14 LYS LYS 0.19 10279 1 1 1 1 14 LYS ARG 0.01 10279 1 1 1 1 21 GLN CYS 0.28 10279 1 1 1 1 21 GLN GLN 0.23 10279 1 1 1 1 21 GLN LYS 0.22 10279 1 1 1 1 21 GLN GLU 0.18 10279 1 1 1 1 21 GLN ARG 0.03 10279 1 1 1 1 21 GLN MET 0.02 10279 1 1 1 1 21 GLN ILE 0.01 10279 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10279 _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 10279 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10279 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10279 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10279 _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_