data_AVS_bmrb_pdb_report_28028 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 28028 _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 49 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 28028 1 1 1 1 76 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 28028 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 49 GLY C 187.570 A 173.87 1.88 3.1638e-13 28028 1 1 1 1 49 GLY CA 44.483 . 45.35 1.34 5.1762e-01 28028 1 1 1 1 49 GLY H 7.720 . 8.33 0.65 3.4801e-01 28028 1 1 1 1 49 GLY HA2 4.562 . 3.97 0.37 1.0960e-01 28028 1 1 1 1 49 GLY HA3 3.227 . 3.9 0.37 6.8924e-02 28028 1 1 1 1 49 GLY N 107.290 . 109.67 3.87 5.3856e-01 28028 1 1 1 1 76 HIS C 173.086 . 175.25 1.97 2.7200e-01 28028 1 1 1 1 76 HIS CA 55.205 . 56.52 2.31 5.6918e-01 28028 1 1 1 1 76 HIS CB 36.604 . 30.24 2.07 2.1093e-03 28028 1 1 1 1 76 HIS CD2 117.647 . 120.49 3.42 4.0581e-01 28028 1 1 1 1 76 HIS CE1 140.229 . 137.71 2.12 2.3475e-01 28028 1 1 1 1 76 HIS H 8.742 . 8.24 0.68 4.6037e-01 28028 1 1 1 1 76 HIS HA 4.853 . 4.61 0.43 5.7199e-01 28028 1 1 1 1 76 HIS HB2 2.614 . 3.1 0.36 1.7702e-01 28028 1 1 1 1 76 HIS HB3 2.455 . 3.04 0.38 1.2369e-01 28028 1 1 1 1 76 HIS HD1 9.352 . 8.68 2.62 7.9757e-01 28028 1 1 1 1 76 HIS HD2 6.719 . 7 0.43 5.1344e-01 28028 1 1 1 1 76 HIS HE1 8.310 . 7.95 0.48 4.5325e-01 28028 1 1 1 1 76 HIS HE2 11.521 . 9.64 2.6 4.6940e-01 28028 1 1 1 1 76 HIS N 128.889 . 119.69 4 2.1462e-02 28028 1 1 1 1 76 HIS NE2 126.991 A 182.41 14.4 1.1882e-04 28028 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 49 GLY GLY 0.5 28028 1 1 1 1 49 GLY LEU 0.24 28028 1 1 1 1 49 GLY ARG 0.12 28028 1 1 1 1 49 GLY CYS 0.04 28028 1 1 1 1 49 GLY PHE 0.03 28028 1 1 1 1 49 GLY ASP 0.02 28028 1 1 1 1 49 GLY TYR 0.01 28028 1 1 1 1 76 HIS CYS 0.78 28028 1 1 1 1 76 HIS TYR 0.17 28028 1 1 1 1 76 HIS HIS 0.02 28028 1 1 1 1 76 HIS TRP 0.01 28028 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 28028 _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 28028 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 28028 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 28028 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 28028 _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_