data_AVS_bmrb_pdb_report_16404 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16404 _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 19 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16404 1 1 1 1 79 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16404 1 1 1 1 89 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16404 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 19 ASN C 180.4 A 175.16 1.76 2.9083e-03 16404 1 1 1 1 19 ASN CA 50.8 . 53.43 1.94 1.7520e-01 16404 1 1 1 1 19 ASN CB 39.5 . 38.66 1.78 6.3699e-01 16404 1 1 1 1 19 ASN H 7.62 . 8.37 0.65 2.4856e-01 16404 1 1 1 1 19 ASN HA 5.10 . 4.7 0.39 3.0506e-01 16404 1 1 1 1 19 ASN HB2 2.60 . 2.8 0.34 5.5637e-01 16404 1 1 1 1 19 ASN HB3 2.71 . 2.78 0.34 8.3688e-01 16404 1 1 1 1 19 ASN HD21 7.59 . 7.27 0.52 5.3830e-01 16404 1 1 1 1 19 ASN HD22 6.84 . 7.2 0.52 4.8874e-01 16404 1 1 1 1 19 ASN N 114.9 . 119.13 4.42 3.3856e-01 16404 1 1 1 1 19 ASN ND2 113.4 . 112.83 2.6 8.2647e-01 16404 1 1 1 1 79 HIS C 173.3 . 175.19 2.14 3.7714e-01 16404 1 1 1 1 79 HIS CA 55.4 . 56.37 2.4 6.8609e-01 16404 1 1 1 1 79 HIS CB 34.6 . 29.95 2.15 3.0557e-02 16404 1 1 1 1 79 HIS CD2 115.9 . 119.84 3.3 2.3250e-01 16404 1 1 1 1 79 HIS CE1 139.8 . 136.05 3.58 2.9488e-01 16404 1 1 1 1 79 HIS H 8.84 . 8.25 0.74 4.2528e-01 16404 1 1 1 1 79 HIS HA 5.49 . 4.62 0.51 8.8030e-02 16404 1 1 1 1 79 HIS HB2 2.12 . 3.12 0.43 2.0041e-02 16404 1 1 1 1 79 HIS HB3 2.23 . 3.11 0.45 5.0518e-02 16404 1 1 1 1 79 HIS HD2 6.89 . 7.08 0.5 7.0395e-01 16404 1 1 1 1 79 HIS HE1 8.09 . 8.08 0.57 9.8600e-01 16404 1 1 1 1 79 HIS N 124.5 . 119.44 4.52 2.6294e-01 16404 1 1 1 1 79 HIS ND1 255.0 A 190.74 22.84 4.9008e-03 16404 1 1 1 1 79 HIS NE2 165.0 . 179.81 13.86 2.8528e-01 16404 1 1 1 1 89 CYS C 181.7 A 174.78 1.99 5.0633e-04 16404 1 1 1 1 89 CYS CA 58.1 . 57.43 3.41 8.4423e-01 16404 1 1 1 1 89 CYS CB 27.4 . 34.15 6.77 3.1874e-01 16404 1 1 1 1 89 CYS H 8.67 . 8.42 0.66 7.0485e-01 16404 1 1 1 1 89 CYS HA 4.91 . 4.73 0.57 7.5216e-01 16404 1 1 1 1 89 CYS HB2 2.43 . 2.95 0.43 2.2655e-01 16404 1 1 1 1 89 CYS HB3 2.83 . 2.98 0.45 7.3888e-01 16404 1 1 1 1 89 CYS N 130.8 . 119.95 4.79 2.3504e-02 16404 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 19 ASN ASN 0.5 16404 1 1 1 1 19 ASN ASP 0.22 16404 1 1 1 1 19 ASN CYS 0.15 16404 1 1 1 1 19 ASN LEU 0.03 16404 1 1 1 1 19 ASN PHE 0.03 16404 1 1 1 1 19 ASN TYR 0.03 16404 1 1 1 1 79 HIS CYS 0.8 16404 1 1 1 1 79 HIS HIS 0.11 16404 1 1 1 1 79 HIS TRP 0.08 16404 1 1 1 1 89 CYS ARG 0.18 16404 1 1 1 1 89 CYS CYS 0.12 16404 1 1 1 1 89 CYS GLN 0.11 16404 1 1 1 1 89 CYS LYS 0.11 16404 1 1 1 1 89 CYS LEU 0.1 16404 1 1 1 1 89 CYS ILE 0.09 16404 1 1 1 1 89 CYS TRP 0.09 16404 1 1 1 1 89 CYS HIS 0.08 16404 1 1 1 1 89 CYS GLU 0.07 16404 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16404 _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 16404 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16404 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16404 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16404 _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_