data_AVS_bmrb_pdb_report_17700 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17700 _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 26 ASP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 17700 1 1 1 1 31 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 17700 1 1 1 1 43 ASP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 17700 1 1 1 1 50 GLN Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 17700 1 1 1 1 70 TYR Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 17700 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 26 ASP C 174.2 . 176.41 1.77 2.1182e-01 17700 1 1 1 1 26 ASP CA 50.90 . 54.52 2.1 8.4742e-02 17700 1 1 1 1 26 ASP CB 38.00 . 40.7 1.67 1.0593e-01 17700 1 1 1 1 26 ASP CG 183.5 A 178.41 1.84 5.6696e-03 17700 1 1 1 1 26 ASP N 124.1 . 120.73 4.2 4.2233e-01 17700 1 1 1 1 31 TRP C 177.8 . 176.1 1.89 3.6840e-01 17700 1 1 1 1 31 TRP CA 53.40 . 57.71 2.65 1.0386e-01 17700 1 1 1 1 31 TRP CB 27.80 . 30.16 2.19 2.8120e-01 17700 1 1 1 1 31 TRP CG 108.2 . 110.37 1.55 1.6151e-01 17700 1 1 1 1 31 TRP CD1 127.8 . 126.16 1.76 3.5143e-01 17700 1 1 1 1 31 TRP CD2 130.5 A 127.4 1.33 1.9762e-02 17700 1 1 1 1 31 TRP CE2 136.6 . 137.38 2.86 7.8506e-01 17700 1 1 1 1 31 TRP CZ2 115.6 . 114.19 1.09 1.9581e-01 17700 1 1 1 1 31 TRP CH2 124.3 . 123.75 1.34 6.8148e-01 17700 1 1 1 1 31 TRP N 110.6 . 121.87 4.58 1.3867e-02 17700 1 1 1 1 43 ASP CA 56.30 . 54.52 2.1 3.9665e-01 17700 1 1 1 1 43 ASP CB 38.00 . 40.7 1.67 1.0593e-01 17700 1 1 1 1 43 ASP CG 183.8 A 178.41 1.84 3.3967e-03 17700 1 1 1 1 43 ASP N 118.1 . 120.73 4.2 5.3119e-01 17700 1 1 1 1 50 GLN C 177.5 . 176.39 1.96 5.7117e-01 17700 1 1 1 1 50 GLN CA 57.50 . 56.62 2.19 6.8781e-01 17700 1 1 1 1 50 GLN CB 26.50 . 29.1 1.97 1.8690e-01 17700 1 1 1 1 50 GLN CG 30.80 . 33.72 1.1 7.9415e-03 17700 1 1 1 1 50 GLN CD 183.1 A 179.68 1.17 3.4659e-03 17700 1 1 1 1 50 GLN N 121.3 . 119.92 4.01 7.3074e-01 17700 1 1 1 1 70 TYR C 177.2 . 175.39 1.89 3.3823e-01 17700 1 1 1 1 70 TYR CA 57.60 . 58.02 2.64 8.7360e-01 17700 1 1 1 1 70 TYR CB 38.90 . 39.16 2.23 9.0718e-01 17700 1 1 1 1 70 TYR CG 131.5 A 129.29 1.21 6.7783e-02 17700 1 1 1 1 70 TYR CE2 116.8 . 117.91 2.6 6.6944e-01 17700 1 1 1 1 70 TYR N 114.6 . 120.79 4.69 1.8689e-01 17700 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 26 ASP CYS 0.9 17700 1 1 1 1 26 ASP GLU 0.06 17700 1 1 1 1 26 ASP ASP 0.02 17700 1 1 1 1 31 TRP CYS 0.55 17700 1 1 1 1 31 TRP HIS 0.35 17700 1 1 1 1 31 TRP TRP 0.09 17700 1 1 1 1 43 ASP CYS 0.66 17700 1 1 1 1 43 ASP GLU 0.32 17700 1 1 1 1 50 GLN CYS 0.99 17700 1 1 1 1 70 TYR PHE 0.46 17700 1 1 1 1 70 TYR CYS 0.37 17700 1 1 1 1 70 TYR TYR 0.16 17700 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17700 _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 17700 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17700 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17700 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17700 _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_