data_AVS_bmrb_pdb_report_5284 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5284 _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 5284 1 1 1 1 82 TRP Anomalous Indeterminable Suspicious Anomalous Indeterminable Consistent "HD1 > HA" 1.0000 5284 1 1 1 1 120 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable 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 5284 1 1 1 1 82 TRP H 9.07 . 8.35 0.84 3.9137e-01 5284 1 1 1 1 82 TRP HA 5.29 . 4.74 0.55 3.1731e-01 5284 1 1 1 1 82 TRP HB2 2.46 . 3.22 0.36 3.4763e-02 5284 1 1 1 1 82 TRP HB3 2.46 . 3.18 0.36 4.5500e-02 5284 1 1 1 1 82 TRP HD1 4.92 M 7.16 0.34 4.4508e-11 5284 1 1 1 1 82 TRP HE1 10.37 . 10.13 0.53 6.5067e-01 5284 1 1 1 1 82 TRP HE3 7.02 . 7.17 1.03 8.8421e-01 5284 1 1 1 1 82 TRP HZ2 6.70 . 7.14 0.89 6.2104e-01 5284 1 1 1 1 82 TRP HZ3 6.72 . 6.68 1.02 9.6872e-01 5284 1 1 1 1 82 TRP HH2 6.51 . 6.82 0.94 7.4156e-01 5284 1 1 1 1 82 TRP N 124.0 . 121.87 4.58 6.4188e-01 5284 1 1 1 1 82 TRP NE1 134.5 . 129.48 2.56 4.9886e-02 5284 1 1 1 1 120 GLU H 9.43 . 8.34 0.61 7.3956e-02 5284 1 1 1 1 120 GLU HA 3.40 . 4.26 0.43 4.5500e-02 5284 1 1 1 1 120 GLU HB2 1.31 S 2.04 0.22 9.0605e-04 5284 1 1 1 1 120 GLU HB3 1.91 . 2.04 0.23 5.7193e-01 5284 1 1 1 1 120 GLU HG2 0.75 M 2.31 0.21 1.0978e-13 5284 1 1 1 1 120 GLU HG3 1.42 S 2.31 0.21 2.2542e-05 5284 1 1 1 1 120 GLU N 129.7 . 120.68 3.68 1.4243e-02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5284 _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 5284 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 5284 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5284 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5284 _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_