data_AVS_bmrb_pdb_report_2999 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 2999 _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 2999 1 1 1 1 26 SER Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 2999 1 1 1 1 28 ARG Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HD2 > HB2" 0.9950 2999 1 1 1 1 28 ARG . . . . . . "HD3 > HB2" 0.9950 2999 1 1 1 1 28 ARG . . . . . . "HD2 > HB3" 0.9951 2999 1 1 1 1 28 ARG . . . . . . "HD3 > HB3" 0.9958 2999 1 1 1 1 28 ARG . . . . . . "HD2 > HG2" 0.9976 2999 1 1 1 1 28 ARG . . . . . . "HD3 > HG2" 0.9974 2999 1 1 1 1 41 GLN Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 2999 1 1 1 1 72 ASN 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 2999 1 1 1 1 26 SER H 7.17 . 8.29 0.62 7.0848e-02 2999 1 1 1 1 26 SER HA 4.57 . 4.51 0.43 8.8903e-01 2999 1 1 1 1 26 SER HB2 5.7 M 3.88 0.29 3.4770e-10 2999 1 1 1 1 26 SER HB3 3.76 . 3.87 0.31 7.2271e-01 2999 1 1 1 1 28 ARG H 6.64 . 8.24 0.6 7.6608e-03 2999 1 1 1 1 28 ARG HA 3.01 . 4.27 0.44 4.1881e-03 2999 1 1 1 1 28 ARG HB2 3.01 S 1.79 0.28 1.3177e-05 2999 1 1 1 1 28 ARG HB3 2.04 . 1.78 0.28 3.5311e-01 2999 1 1 1 1 28 ARG HG2 .84 . 1.58 0.27 6.1301e-03 2999 1 1 1 1 28 ARG HG3 .55 S 1.58 0.27 1.3629e-04 2999 1 1 1 1 28 ARG HD2 .55 M 3.13 0.23 3.3501e-29 2999 1 1 1 1 28 ARG HD3 .73 M 3.13 0.22 1.0429e-27 2999 1 1 1 1 41 GLN H 7.33 . 8.22 0.62 1.5115e-01 2999 1 1 1 1 41 GLN HA 3.77 . 4.28 0.44 2.4642e-01 2999 1 1 1 1 41 GLN HB2 1.7 . 2.05 0.28 2.1130e-01 2999 1 1 1 1 41 GLN HB3 .22 S 2.04 0.29 3.4770e-10 2999 1 1 1 1 41 GLN HG2 1.86 . 2.32 0.29 1.1269e-01 2999 1 1 1 1 41 GLN HG3 .05 M 2.32 0.29 4.9733e-15 2999 1 1 1 1 41 GLN HE21 6.7 . 7.17 0.46 3.0690e-01 2999 1 1 1 1 41 GLN HE22 6.5 . 7.07 0.49 2.4472e-01 2999 1 1 1 1 72 ASN H 7.44 . 8.37 0.65 1.5250e-01 2999 1 1 1 1 72 ASN HA 4.55 . 4.7 0.39 7.0052e-01 2999 1 1 1 1 72 ASN HB2 2.69 . 2.8 0.34 7.4629e-01 2999 1 1 1 1 72 ASN HB3 1.71 . 2.78 0.34 1.6492e-03 2999 1 1 1 1 72 ASN HD21 9.46 M 7.27 0.52 2.5364e-05 2999 1 1 1 1 72 ASN HD22 6.55 . 7.2 0.52 2.1130e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 2999 _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 2999 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 2999 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 2999 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 2999 _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_