data_AVS_bmrb_pdb_report_10319 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10319 _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 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10319 1 1 1 1 42 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10319 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 LYS C 172.535 . 176.46 2.05 5.5539e-02 10319 1 1 1 1 10 LYS CA 56.314 . 56.84 2.25 8.1516e-01 10319 1 1 1 1 10 LYS CB 35.393 . 32.83 1.88 1.7279e-01 10319 1 1 1 1 10 LYS CG 25.007 . 24.91 1.31 9.4097e-01 10319 1 1 1 1 10 LYS CD 28.652 . 28.78 1.39 9.2663e-01 10319 1 1 1 1 10 LYS CE 40.407 . 41.78 0.98 1.6121e-01 10319 1 1 1 1 10 LYS H 7.405 . 8.22 0.64 2.0286e-01 10319 1 1 1 1 10 LYS HA 4.112 . 4.28 0.45 7.0890e-01 10319 1 1 1 1 10 LYS HB2 1.096 . 1.79 0.25 5.5032e-03 10319 1 1 1 1 10 LYS HB3 0.667 S 1.78 0.26 1.8625e-05 10319 1 1 1 1 10 LYS HG2 0.117 S 1.38 0.27 2.9000e-06 10319 1 1 1 1 10 LYS HG3 0.828 . 1.37 0.29 6.1628e-02 10319 1 1 1 1 10 LYS HD2 -0.206 A 1.61 0.25 3.7581e-13 10319 1 1 1 1 10 LYS HD3 0.647 S 1.61 0.25 1.1716e-04 10319 1 1 1 1 10 LYS HE2 1.907 S 2.93 0.2 3.1374e-07 10319 1 1 1 1 10 LYS HE3 1.558 S 2.93 0.2 6.8861e-12 10319 1 1 1 1 10 LYS N 118.701 . 121.16 4.11 5.4964e-01 10319 1 1 1 1 42 GLU C 173.821 . 176.93 2.11 1.4063e-01 10319 1 1 1 1 42 GLU CA 56.472 . 57.42 2.19 6.6510e-01 10319 1 1 1 1 42 GLU CB 27.800 . 30.07 1.84 2.1732e-01 10319 1 1 1 1 42 GLU CG 34.544 . 36.01 1.51 3.3162e-01 10319 1 1 1 1 42 GLU H 7.269 . 8.34 0.61 7.9133e-02 10319 1 1 1 1 42 GLU HA 1.627 A 4.26 0.43 9.1682e-10 10319 1 1 1 1 42 GLU HB2 0.578 S 2.04 0.22 3.0228e-11 10319 1 1 1 1 42 GLU HB3 0.094 S 2.04 0.23 2.6539e-17 10319 1 1 1 1 42 GLU HG2 1.276 S 2.31 0.21 8.4875e-07 10319 1 1 1 1 42 GLU HG3 1.506 S 2.31 0.21 1.2889e-04 10319 1 1 1 1 42 GLU N 120.106 . 120.68 3.68 8.7605e-01 10319 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 LYS CYS 0.59 10319 1 1 1 1 10 LYS LYS 0.35 10319 1 1 1 1 10 LYS ARG 0.03 10319 1 1 1 1 10 LYS MET 0.01 10319 1 1 1 1 42 GLU CYS 0.29 10319 1 1 1 1 42 GLU GLN 0.24 10319 1 1 1 1 42 GLU LYS 0.22 10319 1 1 1 1 42 GLU GLU 0.13 10319 1 1 1 1 42 GLU ARG 0.05 10319 1 1 1 1 42 GLU ILE 0.02 10319 1 1 1 1 42 GLU MET 0.01 10319 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10319 _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 10319 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10319 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10319 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10319 _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_