data_AVS_bmrb_pdb_report_16272 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16272 _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 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16272 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 PHE C 174.440 . 175.49 2.13 6.2204e-01 16272 1 1 1 1 55 PHE CA 55.621 . 58.25 2.73 3.3555e-01 16272 1 1 1 1 55 PHE CB 37.288 . 39.95 2.04 1.9193e-01 16272 1 1 1 1 55 PHE CD1 130.714 . 131.38 1.38 6.2937e-01 16272 1 1 1 1 55 PHE CD2 130.714 . 131.33 1.48 6.7725e-01 16272 1 1 1 1 55 PHE CE1 133.177 . 130.48 1.29 3.6555e-02 16272 1 1 1 1 55 PHE CE2 133.177 . 130.6 0.97 7.8909e-03 16272 1 1 1 1 55 PHE CZ 131.291 . 129.11 1.68 1.9421e-01 16272 1 1 1 1 55 PHE H 5.303 A 8.42 0.74 2.5294e-05 16272 1 1 1 1 55 PHE HA 3.664 . 4.62 0.58 9.9296e-02 16272 1 1 1 1 55 PHE HB2 2.625 . 2.99 0.37 3.2389e-01 16272 1 1 1 1 55 PHE HB3 0.491 A 2.97 0.38 6.8601e-11 16272 1 1 1 1 55 PHE HD1 5.980 . 6.91 0.82 2.5673e-01 16272 1 1 1 1 55 PHE HD2 5.980 . 6.89 0.86 2.8999e-01 16272 1 1 1 1 55 PHE HE1 7.326 . 6.95 0.82 6.4657e-01 16272 1 1 1 1 55 PHE HE2 7.326 . 6.94 0.86 6.5355e-01 16272 1 1 1 1 55 PHE HZ 7.283 . 6.92 0.8 6.5001e-01 16272 1 1 1 1 55 PHE N 115.714 . 120.69 4.18 2.3388e-01 16272 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 PHE PHE 0.99 16272 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16272 _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 16272 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16272 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16272 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16272 _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_