data_AVS_bmrb_pdb_report_25979 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25979 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 84 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25979 1 1 1 1 89 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 25979 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 84 LYS C 177.065 . 176.64 2 8.3172e-01 25979 1 1 1 1 84 LYS CA 54.909 . 56.95 2.2 3.5355e-01 25979 1 1 1 1 84 LYS CB 32.019 . 32.79 1.78 6.6491e-01 25979 1 1 1 1 84 LYS CG 24.683 . 24.89 1.13 8.5465e-01 25979 1 1 1 1 84 LYS CD 28.640 . 28.96 1.08 7.6700e-01 25979 1 1 1 1 84 LYS CE 41.008 . 41.89 0.82 2.8210e-01 25979 1 1 1 1 84 LYS H 7.958 . 8.19 0.6 6.9900e-01 25979 1 1 1 1 84 LYS HA 4.221 . 4.27 0.44 9.1133e-01 25979 1 1 1 1 84 LYS HB2 1.478 . 1.78 0.25 2.2705e-01 25979 1 1 1 1 84 LYS HB3 1.351 . 1.74 0.27 1.4966e-01 25979 1 1 1 1 84 LYS HG2 1.262 . 1.37 0.26 6.7786e-01 25979 1 1 1 1 84 LYS HD2 1.020 . 1.61 0.22 7.3223e-03 25979 1 1 1 1 84 LYS HE2 2.467 . 2.92 0.19 1.7116e-02 25979 1 1 1 1 84 LYS HE3 2.446 . 2.91 0.2 2.0341e-02 25979 1 1 1 1 84 LYS N 123.187 . 121.05 3.77 5.7082e-01 25979 1 1 1 1 84 LYS NZ 122.005 A 33.81 2.81 0.0000e+00 25979 1 1 1 1 89 TRP C 175.524 . 176.12 2.01 7.6683e-01 25979 1 1 1 1 89 TRP CA 52.918 . 57.66 2.58 6.6065e-02 25979 1 1 1 1 89 TRP CB 30.525 . 30.01 2.01 7.9778e-01 25979 1 1 1 1 89 TRP CE3 123.182 . 120.43 1.79 1.2419e-01 25979 1 1 1 1 89 TRP CZ2 113.998 . 114.26 1.12 8.1504e-01 25979 1 1 1 1 89 TRP CZ3 124.497 . 121.35 1.53 3.9699e-02 25979 1 1 1 1 89 TRP CH2 132.304 A 123.86 1.42 2.7397e-09 25979 1 1 1 1 89 TRP H 9.090 . 8.29 0.79 3.1122e-01 25979 1 1 1 1 89 TRP HA 5.863 . 4.68 0.53 2.5610e-02 25979 1 1 1 1 89 TRP HB2 3.454 . 3.19 0.35 4.5068e-01 25979 1 1 1 1 89 TRP HB3 3.245 . 3.12 0.36 7.2842e-01 25979 1 1 1 1 89 TRP HD1 6.871 . 7.14 0.36 4.5493e-01 25979 1 1 1 1 89 TRP HE1 10.515 . 10.08 0.66 5.0984e-01 25979 1 1 1 1 89 TRP HE3 7.707 . 7.31 0.41 3.3290e-01 25979 1 1 1 1 89 TRP HZ2 7.756 . 7.28 0.33 1.4918e-01 25979 1 1 1 1 89 TRP HZ3 7.374 . 6.86 0.4 1.9879e-01 25979 1 1 1 1 89 TRP HH2 7.035 . 6.98 0.39 8.8785e-01 25979 1 1 1 1 89 TRP N 118.256 . 121.68 4.18 4.1271e-01 25979 1 1 1 1 89 TRP NE1 129.573 . 129.32 2.11 9.0456e-01 25979 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 84 LYS LYS 0.54 25979 1 1 1 1 84 LYS CYS 0.4 25979 1 1 1 1 84 LYS ARG 0.04 25979 1 1 1 1 89 TRP CYS 0.98 25979 1 1 1 1 89 TRP HIS 0.01 25979 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25979 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 25979 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25979 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25979 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25979 _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_