data_AVS_bmrb_pdb_report_331 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 331 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 1 X UNSUPPORTED . . . . . . . 331 1 1 1 1 2 X UNSUPPORTED . . . . . . . 331 1 1 1 1 3 X UNSUPPORTED . . . . . . . 331 1 1 1 1 4 X UNSUPPORTED . . . . . . . 331 1 1 1 1 5 X UNSUPPORTED . . . . . . . 331 1 1 1 1 6 X UNSUPPORTED . . . . . . . 331 1 1 1 1 7 X UNSUPPORTED . . . . . . . 331 1 1 1 1 8 X UNSUPPORTED . . . . . . . 331 1 1 1 1 9 X UNSUPPORTED . . . . . . . 331 1 1 1 1 10 X UNSUPPORTED . . . . . . . 331 1 1 1 1 11 X UNSUPPORTED . . . . . . . 331 1 1 1 1 12 X UNSUPPORTED . . . . . . . 331 1 1 1 1 13 X UNSUPPORTED . . . . . . . 331 1 1 1 1 14 X UNSUPPORTED . . . . . . . 331 1 1 1 1 16 X UNSUPPORTED . . . . . . . 331 1 1 1 1 17 X UNSUPPORTED . . . . . . . 331 1 1 1 1 18 X UNSUPPORTED . . . . . . . 331 1 1 1 1 19 HEC UNSUPPORTED . . . . . . . 331 1 1 1 1 20 X UNSUPPORTED . . . . . . . 331 1 1 1 1 21 X UNSUPPORTED . . . . . . . 331 1 1 1 1 22 HEC UNSUPPORTED . . . . . . . 331 1 1 1 1 23 HIS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HB2" 0.9926 331 1 1 1 1 23 HIS . . . . . . "HA > HB3" 0.9952 331 1 1 1 1 24 X UNSUPPORTED . . . . . . . 331 1 1 1 1 25 X UNSUPPORTED . . . . . . . 331 1 1 1 1 26 X UNSUPPORTED . . . . . . . 331 1 1 1 1 27 X UNSUPPORTED . . . . . . . 331 1 1 1 1 30 X UNSUPPORTED . . . . . . . 331 1 1 1 1 31 X UNSUPPORTED . . . . . . . 331 1 1 1 1 32 X UNSUPPORTED . . . . . . . 331 1 1 1 1 33 X UNSUPPORTED . . . . . . . 331 1 1 1 1 34 X UNSUPPORTED . . . . . . . 331 1 1 1 1 36 X UNSUPPORTED . . . . . . . 331 1 1 1 1 37 X UNSUPPORTED . . . . . . . 331 1 1 1 1 38 X UNSUPPORTED . . . . . . . 331 1 1 1 1 39 X UNSUPPORTED . . . . . . . 331 1 1 1 1 40 X UNSUPPORTED . . . . . . . 331 1 1 1 1 41 X UNSUPPORTED . . . . . . . 331 1 1 1 1 42 X UNSUPPORTED . . . . . . . 331 1 1 1 1 43 X UNSUPPORTED . . . . . . . 331 1 1 1 1 44 X UNSUPPORTED . . . . . . . 331 1 1 1 1 45 X UNSUPPORTED . . . . . . . 331 1 1 1 1 46 X UNSUPPORTED . . . . . . . 331 1 1 1 1 47 X UNSUPPORTED . . . . . . . 331 1 1 1 1 48 X UNSUPPORTED . . . . . . . 331 1 1 1 1 49 X UNSUPPORTED . . . . . . . 331 1 1 1 1 50 X UNSUPPORTED . . . . . . . 331 1 1 1 1 51 X UNSUPPORTED . . . . . . . 331 1 1 1 1 52 X UNSUPPORTED . . . . . . . 331 1 1 1 1 53 X UNSUPPORTED . . . . . . . 331 1 1 1 1 54 X UNSUPPORTED . . . . . . . 331 1 1 1 1 55 X UNSUPPORTED . . . . . . . 331 1 1 1 1 56 X UNSUPPORTED . . . . . . . 331 1 1 1 1 57 X UNSUPPORTED . . . . . . . 331 1 1 1 1 58 X UNSUPPORTED . . . . . . . 331 1 1 1 1 59 X UNSUPPORTED . . . . . . . 331 1 1 1 1 60 X UNSUPPORTED . . . . . . . 331 1 1 1 1 61 X UNSUPPORTED . . . . . . . 331 1 1 1 1 62 X UNSUPPORTED . . . . . . . 331 1 1 1 1 63 X UNSUPPORTED . . . . . . . 331 1 1 1 1 65 X UNSUPPORTED . . . . . . . 331 1 1 1 1 66 X UNSUPPORTED . . . . . . . 331 1 1 1 1 67 X UNSUPPORTED . . . . . . . 331 1 1 1 1 68 X UNSUPPORTED . . . . . . . 331 1 1 1 1 69 X UNSUPPORTED . . . . . . . 331 1 1 1 1 70 X UNSUPPORTED . . . . . . . 331 1 1 1 1 71 X UNSUPPORTED . . . . . . . 331 1 1 1 1 72 X UNSUPPORTED . . . . . . . 331 1 1 1 1 74 X UNSUPPORTED . . . . . . . 331 1 1 1 1 75 X UNSUPPORTED . . . . . . . 331 1 1 1 1 76 X UNSUPPORTED . . . . . . . 331 1 1 1 1 78 X UNSUPPORTED . . . . . . . 331 1 1 1 1 79 X UNSUPPORTED . . . . . . . 331 1 1 1 1 80 X UNSUPPORTED . . . . . . . 331 1 1 1 1 81 X UNSUPPORTED . . . . . . . 331 1 1 1 1 82 X UNSUPPORTED . . . . . . . 331 1 1 1 1 83 X UNSUPPORTED . . . . . . . 331 1 1 1 1 84 X UNSUPPORTED . . . . . . . 331 1 1 1 1 85 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 331 1 1 1 1 86 X UNSUPPORTED . . . . . . . 331 1 1 1 1 88 X UNSUPPORTED . . . . . . . 331 1 1 1 1 89 X UNSUPPORTED . . . . . . . 331 1 1 1 1 90 X UNSUPPORTED . . . . . . . 331 1 1 1 1 91 X UNSUPPORTED . . . . . . . 331 1 1 1 1 92 X UNSUPPORTED . . . . . . . 331 1 1 1 1 93 X UNSUPPORTED . . . . . . . 331 1 1 1 1 94 X UNSUPPORTED . . . . . . . 331 1 1 1 1 95 X UNSUPPORTED . . . . . . . 331 1 1 1 1 96 X UNSUPPORTED . . . . . . . 331 1 1 1 1 97 X UNSUPPORTED . . . . . . . 331 1 1 1 1 98 X UNSUPPORTED . . . . . . . 331 1 1 1 1 99 X UNSUPPORTED . . . . . . . 331 1 1 1 1 100 X UNSUPPORTED . . . . . . . 331 1 1 1 1 101 X UNSUPPORTED . . . . . . . 331 1 1 1 1 102 X UNSUPPORTED . . . . . . . 331 1 1 1 1 103 X UNSUPPORTED . . . . . . . 331 1 1 1 1 104 X UNSUPPORTED . . . . . . . 331 1 1 1 1 105 X UNSUPPORTED . . . . . . . 331 1 1 1 1 106 X UNSUPPORTED . . . . . . . 331 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 23 HIS HA 8.99 A 4.61 0.43 2.2888e-24 331 1 1 1 1 23 HIS HB2 9.11 A 3.1 0.36 1.4385e-62 331 1 1 1 1 23 HIS HB3 15 A 3.04 0.38 0.0000e+00 331 1 1 1 1 23 HIS HD2 26.3 A 7 0.43 0.0000e+00 331 1 1 1 1 23 HIS HE1 -26.6 A 7.95 0.48 0.0000e+00 331 1 1 1 1 85 MET HG2 -32.3 A 2.42 0.35 0.0000e+00 331 1 1 1 1 85 MET HG3 -32.3 A 2.39 0.38 0.0000e+00 331 1 1 1 1 85 MET HE1 -22.6 A 1.89 0.46 0.0000e+00 331 1 1 1 1 85 MET HE2 -22.6 A 1.89 0.46 0.0000e+00 331 1 1 1 1 85 MET HE3 -22.6 A 1.89 0.46 0.0000e+00 331 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 331 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 331 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 331 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 331 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 331 _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_