data_AVS_bmrb_pdb_report_11064 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11064 _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 19 GLU Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 11064 1 1 1 1 56 GLU Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 11064 1 1 1 1 71 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 11064 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 19 GLU C 174.2 . 176.93 2.11 1.9572e-01 11064 1 1 1 1 19 GLU CA 58.7 . 57.42 2.19 5.5890e-01 11064 1 1 1 1 19 GLU CB 27.5 . 30.07 1.84 1.6249e-01 11064 1 1 1 1 19 GLU CG 38.5 . 36.01 1.51 9.9146e-02 11064 1 1 1 1 19 GLU CD 184.8 A 181.94 1.85 1.2212e-01 11064 1 1 1 1 19 GLU N 117.5 . 120.68 3.68 3.8752e-01 11064 1 1 1 1 56 GLU C 176.4 . 176.93 2.11 8.0167e-01 11064 1 1 1 1 56 GLU CA 54.2 . 57.42 2.19 1.4147e-01 11064 1 1 1 1 56 GLU CB 30 . 30.07 1.84 9.6965e-01 11064 1 1 1 1 56 GLU CG 37.3 . 36.01 1.51 3.9294e-01 11064 1 1 1 1 56 GLU CD 184.9 A 181.94 1.85 1.0960e-01 11064 1 1 1 1 56 GLU N 128.8 . 120.68 3.68 2.7347e-02 11064 1 1 1 1 71 TRP C 175.5 . 176.1 1.89 7.5089e-01 11064 1 1 1 1 71 TRP CA 57.4 . 57.71 2.65 9.0688e-01 11064 1 1 1 1 71 TRP CB 29.5 . 30.16 2.19 7.6313e-01 11064 1 1 1 1 71 TRP CG 112.1 . 110.37 1.55 2.6437e-01 11064 1 1 1 1 71 TRP CD1 128.4 . 126.16 1.76 2.0311e-01 11064 1 1 1 1 71 TRP CD2 129.3 . 127.4 1.33 1.5313e-01 11064 1 1 1 1 71 TRP CE2 140.5 A 137.38 2.86 2.7531e-01 11064 1 1 1 1 71 TRP CE3 121 . 120.38 1.5 6.7936e-01 11064 1 1 1 1 71 TRP CZ2 117.7 . 114.19 1.09 1.2811e-03 11064 1 1 1 1 71 TRP CZ3 119.8 . 121.57 1.76 3.1457e-01 11064 1 1 1 1 71 TRP CH2 124.1 . 123.75 1.34 7.9394e-01 11064 1 1 1 1 71 TRP N 118.2 . 121.87 4.58 4.2295e-01 11064 1 1 1 1 71 TRP NE1 133.4 . 129.48 2.56 1.2571e-01 11064 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 19 GLU GLU 0.99 11064 1 1 1 1 56 GLU GLU 0.99 11064 1 1 1 1 71 TRP HIS 0.93 11064 1 1 1 1 71 TRP TRP 0.06 11064 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11064 _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.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 11064 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11064 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11064 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11064 _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_