data_AVS_bmrb_pdb_report_10053 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10053 _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 10053 1 1 1 1 212 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10053 1 1 1 1 236 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10053 1 1 1 1 298 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10053 1 1 1 1 428 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 10053 1 1 1 1 515 ILE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 10053 1 1 1 1 212 ASP C 178.02 . 176.41 1.77 3.6303e-01 10053 1 1 1 1 212 ASP CA 50.78 . 54.52 2.1 7.4920e-02 10053 1 1 1 1 212 ASP CB 38.93 . 40.7 1.67 2.8920e-01 10053 1 1 1 1 212 ASP H 3.56 M 8.33 0.57 5.8395e-17 10053 1 1 1 1 212 ASP N 121.44 . 120.73 4.2 8.6576e-01 10053 1 1 1 1 236 TYR C 180.73 M 175.39 1.89 4.7222e-03 10053 1 1 1 1 236 TYR CA 60.56 . 58.02 2.64 3.3599e-01 10053 1 1 1 1 236 TYR CB 37.31 . 39.16 2.23 4.0677e-01 10053 1 1 1 1 236 TYR H 8.57 . 8.37 0.75 7.8973e-01 10053 1 1 1 1 236 TYR N 126.29 . 120.79 4.69 2.4091e-01 10053 1 1 1 1 298 ASP C 175.46 . 176.41 1.77 5.9146e-01 10053 1 1 1 1 298 ASP CA 51.79 . 54.52 2.1 1.9360e-01 10053 1 1 1 1 298 ASP CB 40.20 . 40.7 1.67 7.6463e-01 10053 1 1 1 1 298 ASP H 5.59 M 8.33 0.57 1.5320e-06 10053 1 1 1 1 298 ASP N 126.14 . 120.73 4.2 1.9771e-01 10053 1 1 1 1 428 ASN CA 54.41 . 53.43 1.94 6.1345e-01 10053 1 1 1 1 428 ASN CB 36.48 . 38.66 1.78 2.2068e-01 10053 1 1 1 1 428 ASN H 9.43 . 8.37 0.65 1.0294e-01 10053 1 1 1 1 428 ASN N 133.62 M 119.13 4.42 1.0444e-03 10053 1 1 1 1 515 ILE C 175.14 . 175.82 1.95 7.2730e-01 10053 1 1 1 1 515 ILE CA 61.73 . 61.59 2.78 9.5984e-01 10053 1 1 1 1 515 ILE CB 38.75 . 38.58 2.09 9.3517e-01 10053 1 1 1 1 515 ILE H 9.83 . 8.26 0.71 2.7017e-02 10053 1 1 1 1 515 ILE N 135.44 M 121.6 4.72 3.3657e-03 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score 10053 1 1 1 1 212 ASP ASN 0.56 10053 1 1 1 1 212 ASP ASP 0.17 10053 1 1 1 1 212 ASP CYS 0.16 10053 1 1 1 1 212 ASP TYR 0.03 10053 1 1 1 1 212 ASP PHE 0.03 10053 1 1 1 1 212 ASP LEU 0.02 10053 1 1 1 1 236 TYR ILE 0.31 10053 1 1 1 1 236 TYR CYS 0.24 10053 1 1 1 1 236 TYR TYR 0.18 10053 1 1 1 1 236 TYR PHE 0.12 10053 1 1 1 1 236 TYR GLU 0.1 10053 1 1 1 1 236 TYR VAL 0.01 10053 1 1 1 1 298 ASP ASN 0.36 10053 1 1 1 1 298 ASP ASP 0.31 10053 1 1 1 1 298 ASP CYS 0.12 10053 1 1 1 1 298 ASP LEU 0.08 10053 1 1 1 1 298 ASP PHE 0.04 10053 1 1 1 1 298 ASP TYR 0.04 10053 1 1 1 1 298 ASP LYS 0.01 10053 1 1 1 1 428 ASN CYS 0.3 10053 1 1 1 1 428 ASN ASN 0.19 10053 1 1 1 1 428 ASN GLU 0.17 10053 1 1 1 1 428 ASN MET 0.09 10053 1 1 1 1 428 ASN TYR 0.09 10053 1 1 1 1 428 ASN PHE 0.04 10053 1 1 1 1 428 ASN LYS 0.04 10053 1 1 1 1 428 ASN ASP 0.01 10053 1 1 1 1 428 ASN GLN 0.01 10053 1 1 1 1 428 ASN ILE 0.01 10053 1 1 1 1 515 ILE ILE 0.46 10053 1 1 1 1 515 ILE PHE 0.17 10053 1 1 1 1 515 ILE TYR 0.17 10053 1 1 1 1 515 ILE CYS 0.16 10053 1 1 1 1 515 ILE GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10053 _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 10053 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 10053 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10053 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10053 _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_