data_AVS_bmrb_pdb_report_16273 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16273 _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 55 HIS Anomalous Suspicious Suspicious Suspicious Anomalous Consistent "CE1 > CD2" 0.9917 16273 1 1 1 1 62 HIS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CE1 > CD2" 0.9917 16273 1 1 1 1 152 HIS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CE1 > CD2" 0.9917 16273 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 55 HIS C 174.064 . 175.19 2.14 5.9877e-01 16273 1 1 1 1 55 HIS CA 55.720 . 56.37 2.4 7.8652e-01 16273 1 1 1 1 55 HIS CB 35.357 . 29.95 2.15 1.1907e-02 16273 1 1 1 1 55 HIS CD2 126.628 . 119.84 3.3 3.9689e-02 16273 1 1 1 1 55 HIS CE1 114.300 A 136.05 3.58 1.2366e-09 16273 1 1 1 1 55 HIS H 9.753 . 8.25 0.74 4.2247e-02 16273 1 1 1 1 55 HIS HA 6.377 S 4.62 0.51 5.7085e-04 16273 1 1 1 1 55 HIS HB2 3.054 . 3.12 0.43 8.7801e-01 16273 1 1 1 1 55 HIS HB3 2.897 . 3.11 0.45 6.3598e-01 16273 1 1 1 1 55 HIS HD2 6.368 . 7.08 0.5 1.5445e-01 16273 1 1 1 1 55 HIS HE1 7.739 . 8.08 0.57 5.4968e-01 16273 1 1 1 1 55 HIS N 116.907 . 119.44 4.52 5.7521e-01 16273 1 1 1 1 62 HIS C 174.431 . 175.19 2.14 7.2283e-01 16273 1 1 1 1 62 HIS CA 55.004 . 56.37 2.4 5.6924e-01 16273 1 1 1 1 62 HIS CB 31.735 . 29.95 2.15 4.0641e-01 16273 1 1 1 1 62 HIS CD2 123.974 . 119.84 3.3 2.1030e-01 16273 1 1 1 1 62 HIS CE1 113.451 A 136.05 3.58 2.7444e-10 16273 1 1 1 1 62 HIS H 8.503 . 8.25 0.74 7.3243e-01 16273 1 1 1 1 62 HIS HA 5.360 . 4.62 0.51 1.4679e-01 16273 1 1 1 1 62 HIS HB2 2.971 . 3.12 0.43 7.2896e-01 16273 1 1 1 1 62 HIS HB3 3.059 . 3.11 0.45 9.0977e-01 16273 1 1 1 1 62 HIS HD2 6.683 . 7.08 0.5 4.2720e-01 16273 1 1 1 1 62 HIS HE1 7.643 . 8.08 0.57 4.4328e-01 16273 1 1 1 1 62 HIS N 116.940 . 119.44 4.52 5.8020e-01 16273 1 1 1 1 152 HIS C 173.625 . 175.19 2.14 4.6459e-01 16273 1 1 1 1 152 HIS CA 54.990 . 56.37 2.4 5.6529e-01 16273 1 1 1 1 152 HIS CB 30.369 . 29.95 2.15 8.4548e-01 16273 1 1 1 1 152 HIS CD2 122.219 . 119.84 3.3 4.7097e-01 16273 1 1 1 1 152 HIS CE1 113.345 A 136.05 3.58 2.2654e-10 16273 1 1 1 1 152 HIS H 7.615 . 8.25 0.74 3.9083e-01 16273 1 1 1 1 152 HIS HA 4.600 . 4.62 0.51 9.6872e-01 16273 1 1 1 1 152 HIS HB2 2.824 . 3.12 0.43 4.9122e-01 16273 1 1 1 1 152 HIS HB3 2.737 . 3.11 0.45 4.0717e-01 16273 1 1 1 1 152 HIS HD2 7.148 . 7.08 0.5 8.9182e-01 16273 1 1 1 1 152 HIS HE1 8.701 . 8.08 0.57 2.7595e-01 16273 1 1 1 1 152 HIS N 117.160 . 119.44 4.52 6.1396e-01 16273 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 55 HIS CYS 0.8 16273 1 1 1 1 55 HIS TRP 0.16 16273 1 1 1 1 55 HIS TYR 0.03 16273 1 1 1 1 62 HIS CYS 0.5 16273 1 1 1 1 62 HIS TRP 0.49 16273 1 1 1 1 152 HIS TRP 0.53 16273 1 1 1 1 152 HIS CYS 0.46 16273 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16273 _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 16273 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16273 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16273 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16273 _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_