data_AVS_bmrb_pdb_report_1394 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 1394 _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 1394 1 1 1 1 58 VAL Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HG1" 0.9995 1394 1 1 1 1 58 VAL . . . . . . "HA > HG2" 0.9995 1394 1 1 1 1 58 VAL . . . . . . "HB > HG1" 0.9918 1394 1 1 1 1 58 VAL . . . . . . "HB > HG2" 0.9927 1394 1 1 1 1 64 TRP Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 1394 1 1 1 1 74 ARG Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HA" 0.9994 1394 1 1 1 1 91 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 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 1394 1 1 1 1 58 VAL H 8.08 . 8.29 0.71 7.6740e-01 1394 1 1 1 1 58 VAL HA 3.2 . 4.16 0.57 9.2141e-02 1394 1 1 1 1 58 VAL HB 1.84 . 1.99 0.33 6.4944e-01 1394 1 1 1 1 58 VAL HG1 5.98 M 0.84 0.27 8.4156e-81 1394 1 1 1 1 58 VAL HG2 6.06 M 0.83 0.29 1.0447e-72 1394 1 1 1 1 64 TRP H 7.93 . 8.35 0.84 6.1707e-01 1394 1 1 1 1 64 TRP HA 3.95 . 4.74 0.55 1.5090e-01 1394 1 1 1 1 64 TRP HB2 3.2 . 3.22 0.36 9.5570e-01 1394 1 1 1 1 64 TRP HB3 3.55 . 3.18 0.36 3.0405e-01 1394 1 1 1 1 64 TRP HD1 6.83 . 7.16 0.34 3.3175e-01 1394 1 1 1 1 64 TRP HE1 10.19 . 10.13 0.53 9.0987e-01 1394 1 1 1 1 64 TRP HE3 7.19 . 7.17 1.03 9.8451e-01 1394 1 1 1 1 64 TRP HZ2 8.64 M 7.14 0.89 9.1913e-02 1394 1 1 1 1 64 TRP HZ3 6.48 . 6.68 1.02 8.4455e-01 1394 1 1 1 1 64 TRP HH2 6.18 . 6.82 0.94 4.9597e-01 1394 1 1 1 1 74 ARG H 8.22 . 8.24 0.6 9.7341e-01 1394 1 1 1 1 74 ARG HA 8.85 M 4.27 0.44 2.2536e-25 1394 1 1 1 1 74 ARG HB2 2.58 . 1.79 0.28 4.7810e-03 1394 1 1 1 1 74 ARG HB3 2.58 . 1.78 0.28 4.2747e-03 1394 1 1 1 1 74 ARG HD2 3.25 . 3.13 0.23 6.0185e-01 1394 1 1 1 1 74 ARG HD3 3.25 . 3.13 0.22 5.8544e-01 1394 1 1 1 1 91 TYR H 7.06 . 8.37 0.75 8.0695e-02 1394 1 1 1 1 91 TYR HA 4.89 . 4.63 0.56 6.4244e-01 1394 1 1 1 1 91 TYR HB2 2.54 . 2.91 0.37 3.1731e-01 1394 1 1 1 1 91 TYR HB3 3.79 . 2.91 0.37 1.7389e-02 1394 1 1 1 1 91 TYR HD1 7.07 . 6.87 0.65 7.5832e-01 1394 1 1 1 1 91 TYR HD2 7.07 . 6.86 0.68 7.5746e-01 1394 1 1 1 1 91 TYR HE1 8.62 M 6.64 0.58 6.4065e-04 1394 1 1 1 1 91 TYR HE2 8.62 M 6.63 0.61 1.1051e-03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 1394 _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 1394 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 1394 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 1394 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 1394 _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_