data_AVS_bmrb_pdb_report_6929 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6929 _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 6929 1 1 1 1 59 PHE 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 6929 1 1 1 1 59 PHE C 171.739 . 175.49 2.13 7.8233e-02 6929 1 1 1 1 59 PHE CA 54.391 . 58.25 2.73 1.5749e-01 6929 1 1 1 1 59 PHE CB 39.771 . 39.95 2.04 9.3008e-01 6929 1 1 1 1 59 PHE CD1 134.328 M 131.38 1.38 3.2661e-02 6929 1 1 1 1 59 PHE CE1 129.587 . 130.48 1.29 4.8878e-01 6929 1 1 1 1 59 PHE CZ 129.955 . 129.11 1.68 6.1498e-01 6929 1 1 1 1 59 PHE H 5.949 S 8.42 0.74 8.4023e-04 6929 1 1 1 1 59 PHE HA 4.349 . 4.62 0.58 6.4033e-01 6929 1 1 1 1 59 PHE HB2 2.799 . 2.99 0.37 6.0570e-01 6929 1 1 1 1 59 PHE HB3 3.063 . 2.97 0.38 8.0666e-01 6929 1 1 1 1 59 PHE HD1 7.083 . 6.91 0.82 8.3291e-01 6929 1 1 1 1 59 PHE HD2 7.083 . 6.89 0.86 8.2243e-01 6929 1 1 1 1 59 PHE HE1 6.924 . 6.95 0.82 9.7471e-01 6929 1 1 1 1 59 PHE HE2 6.924 . 6.94 0.86 9.8516e-01 6929 1 1 1 1 59 PHE HZ 7.346 . 6.92 0.8 5.9438e-01 6929 1 1 1 1 59 PHE N 120.701 . 120.69 4.18 9.9790e-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 6929 1 1 1 1 59 PHE CYS 0.44 6929 1 1 1 1 59 PHE TYR 0.37 6929 1 1 1 1 59 PHE PHE 0.18 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6929 _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 6929 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 6929 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6929 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6929 _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_