data_AVS_bmrb_pdb_report_10072 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10072 _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 10072 1 1 1 1 37 PHE Anomalous Consistent Consistent Anomalous Consistent 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 10072 1 1 1 1 37 PHE C 179.632 . 175.49 2.13 5.1823e-02 10072 1 1 1 1 37 PHE CA 62.913 . 58.25 2.73 8.7626e-02 10072 1 1 1 1 37 PHE CB 37.107 . 39.95 2.04 1.6343e-01 10072 1 1 1 1 37 PHE CD1 132.134 . 131.38 1.38 5.8481e-01 10072 1 1 1 1 37 PHE CD2 132.134 . 131.33 1.48 5.8696e-01 10072 1 1 1 1 37 PHE CE1 130.328 . 130.48 1.29 9.0620e-01 10072 1 1 1 1 37 PHE CE2 130.328 . 130.6 0.97 7.7916e-01 10072 1 1 1 1 37 PHE CZ 129.019 . 129.11 1.68 9.5680e-01 10072 1 1 1 1 37 PHE H 8.520 . 8.42 0.74 8.9251e-01 10072 1 1 1 1 37 PHE HA 4.363 . 4.62 0.58 6.5769e-01 10072 1 1 1 1 37 PHE HB2 3.774 . 2.99 0.37 3.4097e-02 10072 1 1 1 1 37 PHE HB3 2.856 . 2.97 0.38 7.6418e-01 10072 1 1 1 1 37 PHE HD1 7.964 M 6.91 0.82 1.9866e-01 10072 1 1 1 1 37 PHE HD2 7.964 . 6.89 0.86 2.1172e-01 10072 1 1 1 1 37 PHE HE1 6.934 . 6.95 0.82 9.8443e-01 10072 1 1 1 1 37 PHE HE2 6.934 . 6.94 0.86 9.9443e-01 10072 1 1 1 1 37 PHE HZ 7.052 . 6.92 0.8 8.6894e-01 10072 1 1 1 1 37 PHE N 113.591 . 120.69 4.18 8.9446e-02 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 10072 1 1 1 1 37 PHE PHE 0.65 10072 1 1 1 1 37 PHE CYS 0.33 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10072 _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 10072 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 10072 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10072 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10072 _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_