data_AVS_bmrb_pdb_report_15511 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15511 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15511 1 1 1 1 50 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15511 1 1 1 1 120 HIS Anomalous Consistent Consistent Suspicious Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15511 1 1 1 1 50 PHE CA 59.966 . 58.25 2.73 5.2963e-01 15511 1 1 1 1 50 PHE CB 41.720 . 39.95 2.04 3.8559e-01 15511 1 1 1 1 50 PHE H 9.762 . 8.42 0.74 6.9753e-02 15511 1 1 1 1 50 PHE HA 5.010 . 4.62 0.58 5.0132e-01 15511 1 1 1 1 50 PHE HB3 3.995 M 2.97 0.38 6.9890e-03 15511 1 1 1 1 50 PHE N 129.008 . 120.69 4.18 4.6596e-02 15511 1 1 1 1 120 HIS CA 57.639 . 56.37 2.4 5.9698e-01 15511 1 1 1 1 120 HIS CB 32.739 . 29.95 2.15 1.9456e-01 15511 1 1 1 1 120 HIS CD2 118.148 . 119.84 3.3 6.0814e-01 15511 1 1 1 1 120 HIS CE1 141.348 M 136.05 3.58 1.3890e-01 15511 1 1 1 1 120 HIS H 6.824 . 8.25 0.74 5.3976e-02 15511 1 1 1 1 120 HIS HA 4.142 . 4.62 0.51 3.4863e-01 15511 1 1 1 1 120 HIS HB3 1.140 S 3.11 0.45 1.1990e-05 15511 1 1 1 1 120 HIS HD2 7.399 . 7.08 0.5 5.2347e-01 15511 1 1 1 1 120 HIS HE1 7.515 . 8.08 0.57 3.2157e-01 15511 1 1 1 1 120 HIS HE2 10.375 . 10.43 3.11 9.8589e-01 15511 1 1 1 1 120 HIS N 113.177 . 119.44 4.52 1.6586e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15511 1 1 1 1 50 PHE PHE 0.28 15511 1 1 1 1 50 PHE TYR 0.19 15511 1 1 1 1 50 PHE LYS 0.19 15511 1 1 1 1 50 PHE ILE 0.13 15511 1 1 1 1 50 PHE ARG 0.1 15511 1 1 1 1 50 PHE LEU 0.06 15511 1 1 1 1 50 PHE ASP 0.01 15511 1 1 1 1 120 HIS HIS 0.59 15511 1 1 1 1 120 HIS TRP 0.4 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15511 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 15511 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 15511 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15511 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15511 _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_