data_AVS_bmrb_pdb_report_292 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 292 _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 292 1 1 1 1 43 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 292 1 1 1 1 64 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 292 1 1 1 1 68 VAL Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HB" 0.9996 292 1 1 1 1 68 VAL . . . . . . "HA > HG1" 0.9995 292 1 1 1 1 68 VAL . . . . . . "HA > HG2" 0.9995 292 1 1 1 1 93 HIS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HB3" 0.9952 292 1 1 1 1 99 ILE Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HG13" 0.9993 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 292 1 1 1 1 43 PHE HD1 8.7 M 6.91 0.82 2.9041e-02 292 1 1 1 1 43 PHE HD2 8.7 M 6.89 0.86 3.5322e-02 292 1 1 1 1 43 PHE HE1 12.58 M 6.95 0.82 6.6095e-12 292 1 1 1 1 43 PHE HE2 12.58 M 6.94 0.86 5.4483e-11 292 1 1 1 1 43 PHE HZ 17.27 M 6.92 0.8 2.7648e-38 292 1 1 1 1 64 HIS HB2 3.81 . 3.12 0.43 1.0857e-01 292 1 1 1 1 64 HIS HB3 4.41 . 3.11 0.45 3.8661e-03 292 1 1 1 1 64 HIS HD2 11.71 M 7.08 0.5 2.0443e-20 292 1 1 1 1 64 HIS HE2 23.7 M 10.43 3.11 1.9822e-05 292 1 1 1 1 68 VAL HA -2.55 M 4.16 0.57 5.4464e-32 292 1 1 1 1 68 VAL HB 1.47 . 1.99 0.33 1.1508e-01 292 1 1 1 1 68 VAL HG1 -1.02 S 0.84 0.27 5.6230e-12 292 1 1 1 1 68 VAL HG2 -.89 S 0.83 0.29 3.0103e-09 292 1 1 1 1 93 HIS H 13.2 M 8.25 0.74 2.2441e-11 292 1 1 1 1 93 HIS HA 7.51 S 4.62 0.51 1.4560e-08 292 1 1 1 1 93 HIS HB2 6.43 S 3.12 0.43 1.3856e-14 292 1 1 1 1 93 HIS HB3 11.68 M 3.11 0.45 7.3057e-81 292 1 1 1 1 93 HIS HD1 20.11 M 10.14 3.5 4.3916e-03 292 1 1 1 1 93 HIS HD2 -4.7 M 7.08 0.5 0.0000e+00 292 1 1 1 1 93 HIS HE1 19.2 M 8.08 0.57 9.2477e-85 292 1 1 1 1 99 ILE HA 2.34 S 4.2 0.56 8.9558e-04 292 1 1 1 1 99 ILE HB -.12 S 1.8 0.31 5.8825e-10 292 1 1 1 1 99 ILE HG2 -3.46 M 0.8 0.29 7.5095e-49 292 1 1 1 1 99 ILE HG12 1.91 . 1.3 0.4 1.2726e-01 292 1 1 1 1 99 ILE HG13 9.6 M 1.24 0.4 0.0000e+00 292 1 1 1 1 99 ILE HD1 -3.83 M 0.7 0.3 1.6193e-51 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 292 _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 292 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 292 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 292 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 292 _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_