data_AVS_bmrb_pdb_report_4952 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4952 _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 4952 1 1 1 1 65 TYR Anomalous Suspicious 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 4952 1 1 1 1 65 TYR C 172.29 . 175.39 1.89 1.0096e-01 4952 1 1 1 1 65 TYR CA 56.11 . 58.02 2.64 4.6938e-01 4952 1 1 1 1 65 TYR CB 40.24 . 39.16 2.23 6.2817e-01 4952 1 1 1 1 65 TYR CD1 116.44 M 132.54 1.35 8.6714e-33 4952 1 1 1 1 65 TYR CD2 116.44 M 132.26 1.99 1.8689e-15 4952 1 1 1 1 65 TYR CE1 131.17 S 117.81 2.09 1.6336e-10 4952 1 1 1 1 65 TYR CE2 131.17 S 117.91 2.6 3.3965e-07 4952 1 1 1 1 65 TYR H 7.66 . 8.37 0.75 3.4381e-01 4952 1 1 1 1 65 TYR HA 4.74 . 4.63 0.56 8.4427e-01 4952 1 1 1 1 65 TYR HB2 2.80 . 2.91 0.37 7.6624e-01 4952 1 1 1 1 65 TYR HB3 2.35 . 2.91 0.37 1.3015e-01 4952 1 1 1 1 65 TYR HD1 6.94 . 6.87 0.65 9.1424e-01 4952 1 1 1 1 65 TYR HD2 6.94 . 6.86 0.68 9.0635e-01 4952 1 1 1 1 65 TYR HE1 7.00 . 6.64 0.58 5.3480e-01 4952 1 1 1 1 65 TYR HE2 7.00 . 6.63 0.61 5.4414e-01 4952 1 1 1 1 65 TYR N 117.93 . 120.79 4.69 5.4199e-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 4952 1 1 1 1 65 TYR GLY 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4952 _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 4952 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 4952 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4952 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4952 _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_