data_AVS_bmrb_pdb_report_5471 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5471 _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 5471 1 1 1 1 71 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5471 1 1 1 1 459 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5471 1 1 1 1 511 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5471 1 1 1 1 680 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 5471 1 1 1 1 71 ASN C 180.67 M 175.16 1.76 1.7440e-03 5471 1 1 1 1 71 ASN CA 50.31 . 53.43 1.94 1.0778e-01 5471 1 1 1 1 71 ASN CB 37.95 . 38.66 1.78 6.8998e-01 5471 1 1 1 1 71 ASN H 7.20 . 8.37 0.65 7.1861e-02 5471 1 1 1 1 71 ASN N 119.59 . 119.13 4.42 9.1711e-01 5471 1 1 1 1 459 ASP C 181.81 M 176.41 1.77 2.2820e-03 5471 1 1 1 1 459 ASP CA 57.72 . 54.52 2.1 1.2756e-01 5471 1 1 1 1 459 ASP CB 43.54 . 40.7 1.67 8.9018e-02 5471 1 1 1 1 459 ASP H 8.67 . 8.33 0.57 5.5085e-01 5471 1 1 1 1 459 ASP N 120.94 . 120.73 4.2 9.6012e-01 5471 1 1 1 1 511 MET C 175.30 . 176.3 2.13 6.3872e-01 5471 1 1 1 1 511 MET CA 53.22 . 56.16 2.34 2.0897e-01 5471 1 1 1 1 511 MET CB 31.01 . 32.9 2.23 3.9670e-01 5471 1 1 1 1 511 MET H 5.38 M 8.26 0.6 1.5867e-06 5471 1 1 1 1 511 MET N 116.06 . 120.1 3.88 2.9777e-01 5471 1 1 1 1 680 MET C 177.32 . 176.3 2.13 6.3203e-01 5471 1 1 1 1 680 MET CA 58.02 . 56.16 2.34 4.2669e-01 5471 1 1 1 1 680 MET CB 36.21 . 32.9 2.23 1.3773e-01 5471 1 1 1 1 680 MET H 10.62 M 8.26 0.6 8.3776e-05 5471 1 1 1 1 680 MET N 124.79 . 120.1 3.88 2.2675e-01 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 5471 1 1 1 1 71 ASN ASN 0.6 5471 1 1 1 1 71 ASN CYS 0.23 5471 1 1 1 1 71 ASN ASP 0.08 5471 1 1 1 1 71 ASN TYR 0.02 5471 1 1 1 1 71 ASN PHE 0.02 5471 1 1 1 1 459 ASP ARG 0.33 5471 1 1 1 1 459 ASP LEU 0.2 5471 1 1 1 1 459 ASP CYS 0.14 5471 1 1 1 1 459 ASP PHE 0.07 5471 1 1 1 1 459 ASP GLY 0.07 5471 1 1 1 1 459 ASP LYS 0.07 5471 1 1 1 1 459 ASP TYR 0.05 5471 1 1 1 1 459 ASP ASP 0.02 5471 1 1 1 1 511 MET CYS 0.19 5471 1 1 1 1 511 MET HIS 0.17 5471 1 1 1 1 511 MET MET 0.14 5471 1 1 1 1 511 MET ARG 0.13 5471 1 1 1 1 511 MET TRP 0.1 5471 1 1 1 1 511 MET GLN 0.08 5471 1 1 1 1 511 MET LYS 0.07 5471 1 1 1 1 511 MET GLU 0.06 5471 1 1 1 1 680 MET GLU 0.28 5471 1 1 1 1 680 MET CYS 0.28 5471 1 1 1 1 680 MET TYR 0.12 5471 1 1 1 1 680 MET MET 0.07 5471 1 1 1 1 680 MET ILE 0.06 5471 1 1 1 1 680 MET PHE 0.05 5471 1 1 1 1 680 MET LYS 0.05 5471 1 1 1 1 680 MET GLN 0.01 5471 1 1 1 1 680 MET VAL 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5471 _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 5471 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 5471 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5471 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5471 _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_