data_AVS_bmrb_pdb_report_6380 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6380 _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 6380 1 1 1 1 23 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6380 1 1 1 1 80 PHE Anomalous Consistent Consistent Consistent 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 6380 1 1 1 1 23 PHE CA 58.9 . 58.25 2.73 8.1181e-01 6380 1 1 1 1 23 PHE CB 41.2 . 39.95 2.04 5.4004e-01 6380 1 1 1 1 23 PHE CD1 131.8 . 131.38 1.38 7.6086e-01 6380 1 1 1 1 23 PHE CE1 133.6 M 130.48 1.29 1.5580e-02 6380 1 1 1 1 23 PHE CZ 132.6 . 129.11 1.68 3.7766e-02 6380 1 1 1 1 23 PHE H 10.29 . 8.42 0.74 1.1503e-02 6380 1 1 1 1 23 PHE HA 4.32 . 4.62 0.58 6.0499e-01 6380 1 1 1 1 23 PHE HB2 3.29 . 2.99 0.37 4.1747e-01 6380 1 1 1 1 23 PHE HB3 2.74 . 2.97 0.38 5.4500e-01 6380 1 1 1 1 23 PHE HD1 7.17 . 6.91 0.82 7.5119e-01 6380 1 1 1 1 23 PHE HE1 6.81 . 6.95 0.82 8.6443e-01 6380 1 1 1 1 23 PHE HZ 6.71 . 6.92 0.8 7.9294e-01 6380 1 1 1 1 23 PHE N 124.3 . 120.69 4.18 3.8779e-01 6380 1 1 1 1 80 PHE CA 56.6 . 58.25 2.73 5.4558e-01 6380 1 1 1 1 80 PHE CB 39.5 . 39.95 2.04 8.2541e-01 6380 1 1 1 1 80 PHE CE1 133.6 M 130.48 1.29 1.5580e-02 6380 1 1 1 1 80 PHE H 8.47 . 8.42 0.74 9.4613e-01 6380 1 1 1 1 80 PHE HA 5.25 . 4.62 0.58 2.7739e-01 6380 1 1 1 1 80 PHE HB2 2.92 . 2.99 0.37 8.4994e-01 6380 1 1 1 1 80 PHE HB3 3.18 . 2.97 0.38 5.8052e-01 6380 1 1 1 1 80 PHE HD1 6.89 . 6.91 0.82 9.8054e-01 6380 1 1 1 1 80 PHE HE1 7.41 . 6.95 0.82 5.7481e-01 6380 1 1 1 1 80 PHE N 121.4 . 120.69 4.18 8.6512e-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 6380 1 1 1 1 23 PHE CYS 0.57 6380 1 1 1 1 23 PHE TYR 0.36 6380 1 1 1 1 23 PHE PHE 0.06 6380 1 1 1 1 80 PHE TYR 0.51 6380 1 1 1 1 80 PHE CYS 0.42 6380 1 1 1 1 80 PHE PHE 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6380 _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 6380 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 6380 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6380 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6380 _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_