data_AVS_bmrb_pdb_report_11092 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11092 _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 50 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11092 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 50 PHE C 173.595 . 175.49 2.13 3.7364e-01 11092 1 1 1 1 50 PHE CA 57.032 . 58.25 2.73 6.5549e-01 11092 1 1 1 1 50 PHE CB 38.513 . 39.95 2.04 4.8118e-01 11092 1 1 1 1 50 PHE CD1 130.505 . 131.38 1.38 5.2604e-01 11092 1 1 1 1 50 PHE CD2 130.505 . 131.33 1.48 5.7723e-01 11092 1 1 1 1 50 PHE CE1 130.623 . 130.48 1.29 9.1173e-01 11092 1 1 1 1 50 PHE CE2 130.623 . 130.6 0.97 9.8108e-01 11092 1 1 1 1 50 PHE CZ 130.554 . 129.11 1.68 3.9005e-01 11092 1 1 1 1 50 PHE H 8.833 . 8.42 0.74 5.7677e-01 11092 1 1 1 1 50 PHE HA 4.241 . 4.62 0.58 5.1347e-01 11092 1 1 1 1 50 PHE HB2 2.087 . 2.99 0.37 1.4665e-02 11092 1 1 1 1 50 PHE HB3 0.300 A 2.97 0.38 2.1206e-12 11092 1 1 1 1 50 PHE HD1 5.690 . 6.91 0.82 1.3680e-01 11092 1 1 1 1 50 PHE HD2 5.690 . 6.89 0.86 1.6291e-01 11092 1 1 1 1 50 PHE HE1 7.102 . 6.95 0.82 8.5294e-01 11092 1 1 1 1 50 PHE HE2 7.102 . 6.94 0.86 8.5059e-01 11092 1 1 1 1 50 PHE HZ 7.169 . 6.92 0.8 7.5561e-01 11092 1 1 1 1 50 PHE N 127.511 . 120.69 4.18 1.0272e-01 11092 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 50 PHE PHE 0.52 11092 1 1 1 1 50 PHE CYS 0.47 11092 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11092 _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 11092 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11092 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11092 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11092 _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_