data_AVS_bmrb_pdb_report_5202 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5202 _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 5202 1 1 1 1 88 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5202 1 1 1 1 154 GLY Anomalous Consistent Consistent Consistent Anomalous 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 5202 1 1 1 1 88 TYR C 182.4 M 175.39 1.89 2.0808e-04 5202 1 1 1 1 88 TYR CA 61.3 . 58.02 2.64 2.1408e-01 5202 1 1 1 1 88 TYR CB 38.5 . 39.16 2.23 7.6726e-01 5202 1 1 1 1 88 TYR H 7.84 . 8.37 0.75 4.7977e-01 5202 1 1 1 1 88 TYR HA 4.16 . 4.63 0.56 4.0131e-01 5202 1 1 1 1 88 TYR HB2 3.16 . 2.91 0.37 4.9925e-01 5202 1 1 1 1 88 TYR HB3 3.04 . 2.91 0.37 7.2532e-01 5202 1 1 1 1 88 TYR N 116.7 . 120.79 4.69 3.8317e-01 5202 1 1 1 1 154 GLY C 183.0 M 174.04 1.94 3.8642e-06 5202 1 1 1 1 154 GLY CA 45.9 . 45.33 1.42 6.8812e-01 5202 1 1 1 1 154 GLY H 8.02 . 8.34 0.74 6.6543e-01 5202 1 1 1 1 154 GLY HA2 4.45 . 3.95 0.4 2.1130e-01 5202 1 1 1 1 154 GLY HA3 4.16 . 3.93 0.4 5.6529e-01 5202 1 1 1 1 154 GLY N 104.2 . 109.91 4.29 1.8319e-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 5202 1 1 1 1 88 TYR ILE 0.42 5202 1 1 1 1 88 TYR TYR 0.18 5202 1 1 1 1 88 TYR CYS 0.18 5202 1 1 1 1 88 TYR PHE 0.17 5202 1 1 1 1 88 TYR GLU 0.02 5202 1 1 1 1 154 GLY GLY 0.81 5202 1 1 1 1 154 GLY CYS 0.09 5202 1 1 1 1 154 GLY LEU 0.06 5202 1 1 1 1 154 GLY ARG 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5202 _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 5202 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 5202 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5202 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5202 _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_