data_AVS_bmrb_pdb_report_4077 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4077 _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 4077 1 1 1 1 26 TYR Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HA" 0.9994 4077 1 1 1 1 39 SER Anomalous Consistent Consistent Anomalous Consistent 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 4077 1 1 1 1 26 TYR C 174.7 . 175.39 1.89 7.1505e-01 4077 1 1 1 1 26 TYR CA 56.1 . 58.02 2.64 4.6706e-01 4077 1 1 1 1 26 TYR CB 45.1 . 39.16 2.23 7.7292e-03 4077 1 1 1 1 26 TYR CD1 132.3 . 132.54 1.35 8.5890e-01 4077 1 1 1 1 26 TYR CD2 132.1 . 132.26 1.99 9.3592e-01 4077 1 1 1 1 26 TYR CE1 117.4 . 117.81 2.09 8.4448e-01 4077 1 1 1 1 26 TYR CE2 118.4 . 117.91 2.6 8.5051e-01 4077 1 1 1 1 26 TYR H 10.09 . 8.37 0.75 2.1829e-02 4077 1 1 1 1 26 TYR HA 6.70 M 4.63 0.56 2.1865e-04 4077 1 1 1 1 26 TYR HB2 3.40 . 2.91 0.37 1.8540e-01 4077 1 1 1 1 26 TYR HB3 3.24 . 2.91 0.37 3.7245e-01 4077 1 1 1 1 26 TYR HD1 7.17 . 6.87 0.65 6.4441e-01 4077 1 1 1 1 26 TYR HD2 7.07 . 6.86 0.68 7.5746e-01 4077 1 1 1 1 26 TYR HE1 6.92 . 6.64 0.58 6.2927e-01 4077 1 1 1 1 26 TYR HE2 6.35 . 6.63 0.61 6.4622e-01 4077 1 1 1 1 26 TYR N 117.8 . 120.79 4.69 5.2378e-01 4077 1 1 1 1 39 SER C 177.8 . 174.53 1.73 5.8735e-02 4077 1 1 1 1 39 SER CA 61.8 . 58.57 2.12 1.2761e-01 4077 1 1 1 1 39 SER CB 61.8 . 63.8 1.57 2.0270e-01 4077 1 1 1 1 39 SER H 8.43 . 8.29 0.62 8.2135e-01 4077 1 1 1 1 39 SER HA 4.05 . 4.51 0.43 2.8472e-01 4077 1 1 1 1 39 SER HB2 5.03 M 3.88 0.29 7.3237e-05 4077 1 1 1 1 39 SER HB3 3.64 . 3.87 0.31 4.5813e-01 4077 1 1 1 1 39 SER N 124.5 . 116.3 3.95 3.7899e-02 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 4077 1 1 1 1 26 TYR GLY 0.67 4077 1 1 1 1 26 TYR CYS 0.19 4077 1 1 1 1 26 TYR TYR 0.13 4077 1 1 1 1 39 SER SER 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4077 _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 4077 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 4077 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4077 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4077 _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_