data_AVS_bmrb_pdb_report_7420 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7420 _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 7420 1 1 1 1 10 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7420 1 1 1 1 49 THR Anomalous Suspicious 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 7420 1 1 1 1 10 PHE CA 58.104 . 58.25 2.73 9.5735e-01 7420 1 1 1 1 10 PHE CB 39.448 . 39.95 2.04 8.0562e-01 7420 1 1 1 1 10 PHE CD1 131.943 . 131.38 1.38 6.8329e-01 7420 1 1 1 1 10 PHE CD2 131.943 . 131.33 1.48 6.7874e-01 7420 1 1 1 1 10 PHE H 9.755 . 8.42 0.74 7.1223e-02 7420 1 1 1 1 10 PHE HA 4.609 . 4.62 0.58 9.8487e-01 7420 1 1 1 1 10 PHE HB2 3.041 . 2.99 0.37 8.9037e-01 7420 1 1 1 1 10 PHE HB3 3.955 . 2.97 0.38 9.5391e-03 7420 1 1 1 1 10 PHE HD1 6.691 . 6.91 0.82 7.8941e-01 7420 1 1 1 1 10 PHE HD2 6.691 . 6.89 0.86 8.1701e-01 7420 1 1 1 1 10 PHE HE1 6.970 . 6.95 0.82 9.8054e-01 7420 1 1 1 1 10 PHE HE2 6.970 . 6.94 0.86 9.7217e-01 7420 1 1 1 1 10 PHE N 134.826 M 120.69 4.18 7.2008e-04 7420 1 1 1 1 49 THR C 173.837 . 174.6 1.8 6.7165e-01 7420 1 1 1 1 49 THR CA 71.718 M 62.15 2.72 4.3539e-04 7420 1 1 1 1 49 THR CB 61.791 S 69.64 1.7 3.8922e-06 7420 1 1 1 1 49 THR CG2 21.330 . 21.44 1.39 9.3692e-01 7420 1 1 1 1 49 THR H 8.534 . 8.27 0.62 6.7025e-01 7420 1 1 1 1 49 THR HA 3.893 . 4.48 0.5 2.4039e-01 7420 1 1 1 1 49 THR HB 5.279 . 4.17 0.37 2.7238e-03 7420 1 1 1 1 49 THR HG2 1.042 . 1.16 0.28 6.7344e-01 7420 1 1 1 1 49 THR N 117.371 . 115.7 5.05 7.4073e-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 7420 1 1 1 1 10 PHE TYR 0.36 7420 1 1 1 1 10 PHE PHE 0.36 7420 1 1 1 1 10 PHE CYS 0.26 7420 1 1 1 1 49 THR CYS 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7420 _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 7420 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 7420 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7420 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7420 _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_