data_AVS_bmrb_pdb_report_16982 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16982 _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 91 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16982 1 1 1 1 104 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16982 1 1 1 1 105 ASN Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 16982 1 1 1 1 227 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16982 1 1 1 1 244 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16982 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 91 ASP C 178.538 . 176.41 1.77 2.2926e-01 16982 1 1 1 1 91 ASP CA 60.460 A 54.52 2.1 4.6756e-03 16982 1 1 1 1 91 ASP CB 42.929 . 40.7 1.67 1.8196e-01 16982 1 1 1 1 91 ASP H 8.921 . 8.33 0.57 2.9981e-01 16982 1 1 1 1 91 ASP N 116.712 . 120.73 4.2 3.3874e-01 16982 1 1 1 1 104 GLY C 184.316 A 174.04 1.94 1.1778e-07 16982 1 1 1 1 104 GLY CA 43.135 . 45.33 1.42 1.2216e-01 16982 1 1 1 1 104 GLY H 7.442 . 8.34 0.74 2.2493e-01 16982 1 1 1 1 104 GLY N 104.055 . 109.91 4.29 1.7232e-01 16982 1 1 1 1 105 ASN C 180.753 A 175.16 1.76 1.4838e-03 16982 1 1 1 1 105 ASN CA 49.425 . 53.43 1.94 3.8977e-02 16982 1 1 1 1 105 ASN CB 40.038 . 38.66 1.78 4.3884e-01 16982 1 1 1 1 105 ASN H 6.077 S 8.37 0.65 4.1920e-04 16982 1 1 1 1 105 ASN N 111.475 . 119.13 4.42 8.3291e-02 16982 1 1 1 1 227 ASP C 173.308 . 176.41 1.77 7.9681e-02 16982 1 1 1 1 227 ASP CA 61.184 A 54.52 2.1 1.5070e-03 16982 1 1 1 1 227 ASP CB 40.226 . 40.7 1.67 7.7654e-01 16982 1 1 1 1 227 ASP H 8.786 . 8.33 0.57 4.2371e-01 16982 1 1 1 1 227 ASP N 118.771 . 120.73 4.2 6.4091e-01 16982 1 1 1 1 244 THR C 181.413 A 174.6 1.8 1.5371e-04 16982 1 1 1 1 244 THR CA 59.860 . 62.15 2.72 3.9984e-01 16982 1 1 1 1 244 THR CB 66.769 . 69.64 1.7 9.1253e-02 16982 1 1 1 1 244 THR H 8.438 . 8.27 0.62 7.8642e-01 16982 1 1 1 1 244 THR N 113.088 . 115.7 5.05 6.0500e-01 16982 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 91 ASP ARG 0.23 16982 1 1 1 1 91 ASP CYS 0.19 16982 1 1 1 1 91 ASP PHE 0.16 16982 1 1 1 1 91 ASP TYR 0.1 16982 1 1 1 1 91 ASP LYS 0.09 16982 1 1 1 1 91 ASP ILE 0.07 16982 1 1 1 1 91 ASP GLY 0.06 16982 1 1 1 1 91 ASP LEU 0.06 16982 1 1 1 1 104 GLY ARG 0.38 16982 1 1 1 1 104 GLY LEU 0.27 16982 1 1 1 1 104 GLY CYS 0.07 16982 1 1 1 1 104 GLY LYS 0.06 16982 1 1 1 1 104 GLY ASP 0.05 16982 1 1 1 1 104 GLY GLY 0.04 16982 1 1 1 1 104 GLY PHE 0.04 16982 1 1 1 1 104 GLY TYR 0.02 16982 1 1 1 1 104 GLY ILE 0.01 16982 1 1 1 1 105 ASN ASN 0.43 16982 1 1 1 1 105 ASN ASP 0.23 16982 1 1 1 1 105 ASN CYS 0.21 16982 1 1 1 1 105 ASN LEU 0.04 16982 1 1 1 1 105 ASN PHE 0.02 16982 1 1 1 1 105 ASN TYR 0.02 16982 1 1 1 1 105 ASN GLY 0.01 16982 1 1 1 1 227 ASP ILE 0.33 16982 1 1 1 1 227 ASP PHE 0.25 16982 1 1 1 1 227 ASP TYR 0.2 16982 1 1 1 1 227 ASP CYS 0.16 16982 1 1 1 1 227 ASP LYS 0.02 16982 1 1 1 1 227 ASP LEU 0.01 16982 1 1 1 1 244 THR THR 0.54 16982 1 1 1 1 244 THR SER 0.45 16982 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16982 _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 16982 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16982 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16982 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16982 _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_