data_AVS_bmrb_pdb_report_6393 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6393 _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 6393 1 1 1 1 62 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6393 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 6393 1 1 1 1 62 VAL C 175.40 . 175.69 2.03 8.8640e-01 6393 1 1 1 1 62 VAL CA 64.50 . 62.48 3.04 5.0639e-01 6393 1 1 1 1 62 VAL CB 34.21 . 32.66 1.91 4.1707e-01 6393 1 1 1 1 62 VAL CG1 23.16 . 21.38 1.53 2.4467e-01 6393 1 1 1 1 62 VAL CG2 21.40 . 21.31 1.76 9.5922e-01 6393 1 1 1 1 62 VAL H 11.15 M 8.29 0.71 5.6213e-05 6393 1 1 1 1 62 VAL HA 3.98 . 4.16 0.57 7.5216e-01 6393 1 1 1 1 62 VAL HB 2.11 . 1.99 0.33 7.1613e-01 6393 1 1 1 1 62 VAL HG1 0.97 . 0.84 0.27 6.3017e-01 6393 1 1 1 1 62 VAL HG2 0.96 . 0.83 0.29 6.5395e-01 6393 1 1 1 1 62 VAL N 132.80 . 121.02 4.96 1.7549e-02 6393 1 1 1 1 88 TRP C 175.59 . 176.1 1.89 7.8728e-01 6393 1 1 1 1 88 TRP CA 54.66 . 57.71 2.65 2.4976e-01 6393 1 1 1 1 88 TRP CB 33.73 . 30.16 2.19 1.0307e-01 6393 1 1 1 1 88 TRP CD1 127.86 . 126.16 1.76 3.3409e-01 6393 1 1 1 1 88 TRP CE3 122.06 . 120.38 1.5 2.6271e-01 6393 1 1 1 1 88 TRP CZ2 112.74 . 114.19 1.09 1.8343e-01 6393 1 1 1 1 88 TRP CZ3 121.17 . 121.57 1.76 8.2021e-01 6393 1 1 1 1 88 TRP H 8.84 . 8.35 0.84 5.5967e-01 6393 1 1 1 1 88 TRP HA 4.89 . 4.74 0.55 7.8506e-01 6393 1 1 1 1 88 TRP HB2 3.02 . 3.22 0.36 5.7851e-01 6393 1 1 1 1 88 TRP HB3 2.32 . 3.18 0.36 1.6899e-02 6393 1 1 1 1 88 TRP HD1 5.62 M 7.16 0.34 5.9148e-06 6393 1 1 1 1 88 TRP HE1 10.37 . 10.13 0.53 6.5067e-01 6393 1 1 1 1 88 TRP HE3 6.17 . 7.17 1.03 3.3161e-01 6393 1 1 1 1 88 TRP HZ2 7.14 . 7.14 0.89 1.0000e+00 6393 1 1 1 1 88 TRP HZ3 6.62 . 6.68 1.02 9.5309e-01 6393 1 1 1 1 88 TRP HH2 7.05 . 6.82 0.94 8.0670e-01 6393 1 1 1 1 88 TRP N 121.51 . 121.87 4.58 9.3735e-01 6393 1 1 1 1 88 TRP NE1 128.86 . 129.48 2.56 8.0863e-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 6393 1 1 1 1 62 VAL VAL 0.84 6393 1 1 1 1 62 VAL CYS 0.15 6393 1 1 1 1 88 TRP CYS 0.74 6393 1 1 1 1 88 TRP TRP 0.24 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6393 _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 6393 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 6393 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6393 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6393 _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_