data_AVS_bmrb_pdb_report_7349 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7349 _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 7349 1 1 1 1 21 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7349 1 1 1 1 24 TYR 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 7349 1 1 1 1 21 VAL C 148.258 M 175.69 2.03 1.3054e-41 7349 1 1 1 1 21 VAL CA 63.819 . 62.48 3.04 6.5960e-01 7349 1 1 1 1 21 VAL CB 28.645 . 32.66 1.91 3.5545e-02 7349 1 1 1 1 21 VAL CG1 18.560 . 21.38 1.53 6.5309e-02 7349 1 1 1 1 21 VAL CG2 20.980 . 21.31 1.76 8.5127e-01 7349 1 1 1 1 21 VAL H 8.561 . 8.29 0.71 7.0269e-01 7349 1 1 1 1 21 VAL HA 3.013 . 4.16 0.57 4.4190e-02 7349 1 1 1 1 21 VAL HB 1.728 . 1.99 0.33 4.2723e-01 7349 1 1 1 1 21 VAL HG1 0.312 . 0.84 0.27 5.0518e-02 7349 1 1 1 1 21 VAL HG2 0.677 . 0.83 0.29 5.9779e-01 7349 1 1 1 1 21 VAL N 120.008 . 121.02 4.96 8.3833e-01 7349 1 1 1 1 24 TYR C 174.049 . 175.39 1.89 4.7800e-01 7349 1 1 1 1 24 TYR CA 56.082 . 58.02 2.64 4.6289e-01 7349 1 1 1 1 24 TYR CB 37.070 . 39.16 2.23 3.4865e-01 7349 1 1 1 1 24 TYR CD1 129.559 . 132.54 1.35 2.7234e-02 7349 1 1 1 1 24 TYR CD2 129.559 . 132.26 1.99 1.7469e-01 7349 1 1 1 1 24 TYR CE1 114.499 . 117.81 2.09 1.1315e-01 7349 1 1 1 1 24 TYR CE2 114.499 M 117.91 2.6 1.8955e-01 7349 1 1 1 1 24 TYR H 8.259 . 8.37 0.75 8.8234e-01 7349 1 1 1 1 24 TYR HA 4.192 . 4.63 0.56 4.3413e-01 7349 1 1 1 1 24 TYR HB2 2.227 . 2.91 0.37 6.4900e-02 7349 1 1 1 1 24 TYR HB3 2.530 . 2.91 0.37 3.0441e-01 7349 1 1 1 1 24 TYR HD1 6.472 . 6.87 0.65 5.4033e-01 7349 1 1 1 1 24 TYR HD2 6.472 . 6.86 0.68 5.6828e-01 7349 1 1 1 1 24 TYR HE1 6.328 . 6.64 0.58 5.9062e-01 7349 1 1 1 1 24 TYR HE2 6.328 . 6.63 0.61 6.2054e-01 7349 1 1 1 1 24 TYR N 114.131 . 120.79 4.69 1.5566e-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 7349 1 1 1 1 21 VAL VAL 0.89 7349 1 1 1 1 21 VAL ILE 0.1 7349 1 1 1 1 24 TYR TYR 0.92 7349 1 1 1 1 24 TYR HIS 0.07 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7349 _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 7349 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 7349 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7349 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7349 _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_