data_AVS_bmrb_pdb_report_6392 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6392 _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 6392 1 1 1 1 62 VAL Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 6392 1 1 1 1 88 TRP 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 6392 1 1 1 1 62 VAL CA 64.60 . 62.48 3.04 4.8557e-01 6392 1 1 1 1 62 VAL CB 33.91 . 32.66 1.91 5.1282e-01 6392 1 1 1 1 62 VAL CG1 22.97 . 21.38 1.53 2.9870e-01 6392 1 1 1 1 62 VAL CG2 21.44 . 21.31 1.76 9.4112e-01 6392 1 1 1 1 62 VAL H 11.34 M 8.29 0.71 1.7408e-05 6392 1 1 1 1 62 VAL HA 4.01 . 4.16 0.57 7.9243e-01 6392 1 1 1 1 62 VAL HB 2.06 . 1.99 0.33 8.3201e-01 6392 1 1 1 1 62 VAL HG1 0.95 . 0.84 0.27 6.8371e-01 6392 1 1 1 1 62 VAL HG2 0.93 . 0.83 0.29 7.3022e-01 6392 1 1 1 1 88 TRP C 175.44 . 176.1 1.89 7.2693e-01 6392 1 1 1 1 88 TRP CA 54.70 . 57.71 2.65 2.5602e-01 6392 1 1 1 1 88 TRP CB 33.51 . 30.16 2.19 1.2610e-01 6392 1 1 1 1 88 TRP CD1 127.70 . 126.16 1.76 3.8157e-01 6392 1 1 1 1 88 TRP CE3 121.64 . 120.38 1.5 4.0091e-01 6392 1 1 1 1 88 TRP CZ2 112.73 . 114.19 1.09 1.8042e-01 6392 1 1 1 1 88 TRP CZ3 120.74 . 121.57 1.76 6.3722e-01 6392 1 1 1 1 88 TRP H 8.84 . 8.35 0.84 5.5967e-01 6392 1 1 1 1 88 TRP HA 4.78 . 4.74 0.55 9.4202e-01 6392 1 1 1 1 88 TRP HB2 2.95 . 3.22 0.36 4.5325e-01 6392 1 1 1 1 88 TRP HB3 2.26 . 3.18 0.36 1.0602e-02 6392 1 1 1 1 88 TRP HD1 5.65 M 7.16 0.34 8.9468e-06 6392 1 1 1 1 88 TRP HE1 10.30 . 10.13 0.53 7.4840e-01 6392 1 1 1 1 88 TRP HE3 6.23 . 7.17 1.03 3.6144e-01 6392 1 1 1 1 88 TRP HZ2 7.02 . 7.14 0.89 8.9275e-01 6392 1 1 1 1 88 TRP HZ3 6.55 . 6.68 1.02 8.9858e-01 6392 1 1 1 1 88 TRP HH2 6.91 . 6.82 0.94 9.2372e-01 6392 1 1 1 1 88 TRP N 121.77 . 121.87 4.58 9.8258e-01 6392 1 1 1 1 88 TRP NE1 129.02 . 129.48 2.56 8.5740e-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 6392 1 1 1 1 62 VAL VAL 0.86 6392 1 1 1 1 62 VAL CYS 0.12 6392 1 1 1 1 88 TRP CYS 0.72 6392 1 1 1 1 88 TRP TRP 0.26 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6392 _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 6392 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 6392 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6392 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6392 _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_