data_AVS_bmrb_pdb_report_17145 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17145 _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 53 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17145 1 1 1 1 54 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17145 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 53 ASN C 182.4540 A 175.16 1.76 3.4083e-05 17145 1 1 1 1 53 ASN CA 55.4980 . 53.43 1.94 2.8643e-01 17145 1 1 1 1 53 ASN CB 37.7030 . 38.66 1.78 5.9083e-01 17145 1 1 1 1 53 ASN H 8.2230 . 8.37 0.65 8.2108e-01 17145 1 1 1 1 53 ASN HA 4.2970 . 4.7 0.39 3.0145e-01 17145 1 1 1 1 53 ASN HB2 2.4380 . 2.8 0.34 2.8701e-01 17145 1 1 1 1 53 ASN HB3 2.6000 . 2.78 0.34 5.9652e-01 17145 1 1 1 1 53 ASN HD21 7.4620 . 7.27 0.52 7.1196e-01 17145 1 1 1 1 53 ASN HD22 6.9480 . 7.2 0.52 6.2795e-01 17145 1 1 1 1 53 ASN N 119.2210 . 119.13 4.42 9.8357e-01 17145 1 1 1 1 53 ASN ND2 112.8650 . 112.83 2.6 9.8926e-01 17145 1 1 1 1 54 ARG C 179.8620 . 176.49 2.16 1.1850e-01 17145 1 1 1 1 54 ARG CA 56.4100 . 56.95 2.41 8.2271e-01 17145 1 1 1 1 54 ARG CB 27.6840 . 30.66 1.77 9.2694e-02 17145 1 1 1 1 54 ARG CG 24.1240 . 27.31 1.65 5.3494e-02 17145 1 1 1 1 54 ARG CD 40.3820 . 43.1 1.1 1.3477e-02 17145 1 1 1 1 54 ARG H 8.4030 . 8.24 0.6 7.8588e-01 17145 1 1 1 1 54 ARG HA 3.4120 . 4.27 0.44 5.1176e-02 17145 1 1 1 1 54 ARG HB2 0.6450 S 1.79 0.28 4.3270e-05 17145 1 1 1 1 54 ARG HB3 -0.6180 A 1.78 0.28 1.0875e-17 17145 1 1 1 1 54 ARG HG2 -0.7990 A 1.58 0.27 1.2391e-18 17145 1 1 1 1 54 ARG HG3 -0.2300 S 1.58 0.27 2.0320e-11 17145 1 1 1 1 54 ARG HD2 2.0220 S 3.13 0.23 1.4545e-06 17145 1 1 1 1 54 ARG HD3 2.3180 S 3.13 0.22 2.2345e-04 17145 1 1 1 1 54 ARG HE 10.0050 S 7.32 0.52 2.4242e-07 17145 1 1 1 1 54 ARG N 124.1000 . 120.61 3.9 3.7086e-01 17145 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 53 ASN TYR 0.24 17145 1 1 1 1 53 ASN ASN 0.23 17145 1 1 1 1 53 ASN GLU 0.17 17145 1 1 1 1 53 ASN PHE 0.15 17145 1 1 1 1 53 ASN ASP 0.08 17145 1 1 1 1 53 ASN MET 0.04 17145 1 1 1 1 53 ASN ILE 0.03 17145 1 1 1 1 53 ASN LEU 0.02 17145 1 1 1 1 53 ASN LYS 0.01 17145 1 1 1 1 54 ARG LEU 0.57 17145 1 1 1 1 54 ARG LYS 0.4 17145 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17145 _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 17145 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17145 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17145 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17145 _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_