data_AVS_bmrb_pdb_report_15701 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15701 _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 55 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15701 1 1 1 1 64 TYR Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 15701 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 15701 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 55 GLY C 182.88 A 174.04 1.94 5.1963e-06 15701 1 1 1 1 55 GLY CA 45.07 . 45.33 1.42 8.5472e-01 15701 1 1 1 1 55 GLY H 7.10 . 8.34 0.74 9.3802e-02 15701 1 1 1 1 55 GLY HA2 4.28 . 3.95 0.4 4.0937e-01 15701 1 1 1 1 55 GLY HA3 3.76 . 3.93 0.4 6.7084e-01 15701 1 1 1 1 55 GLY N 106.00 . 109.91 4.29 3.6207e-01 15701 1 1 1 1 64 TYR C 174.14 . 175.39 1.89 5.0837e-01 15701 1 1 1 1 64 TYR CA 59.03 . 58.02 2.64 7.0203e-01 15701 1 1 1 1 64 TYR CB 38.35 . 39.16 2.23 7.1643e-01 15701 1 1 1 1 64 TYR CD1 130.20 . 132.54 1.35 8.3037e-02 15701 1 1 1 1 64 TYR CD2 130.20 . 132.26 1.99 3.0059e-01 15701 1 1 1 1 64 TYR CE1 114.90 . 117.81 2.09 1.6382e-01 15701 1 1 1 1 64 TYR CE2 114.90 A 117.91 2.6 2.4699e-01 15701 1 1 1 1 64 TYR HA 4.61 . 4.63 0.56 9.7151e-01 15701 1 1 1 1 64 TYR HB2 3.11 . 2.91 0.37 5.8882e-01 15701 1 1 1 1 64 TYR HB3 3.11 . 2.91 0.37 5.8882e-01 15701 1 1 1 1 64 TYR HD1 6.75 . 6.87 0.65 8.5353e-01 15701 1 1 1 1 64 TYR HD2 6.75 . 6.86 0.68 8.7149e-01 15701 1 1 1 1 64 TYR HE1 6.50 . 6.64 0.58 8.0926e-01 15701 1 1 1 1 64 TYR HE2 6.50 . 6.63 0.61 8.3124e-01 15701 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 55 GLY GLY 0.7 15701 1 1 1 1 55 GLY LEU 0.12 15701 1 1 1 1 55 GLY CYS 0.08 15701 1 1 1 1 55 GLY ARG 0.06 15701 1 1 1 1 64 TYR CYS 0.72 15701 1 1 1 1 64 TYR TYR 0.27 15701 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15701 _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 15701 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15701 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15701 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15701 _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_