data_AVS_bmrb_pdb_report_30295 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30295 _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 47 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 30295 1 1 1 1 132 PHE Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HA" 0.9969 30295 1 1 1 1 132 PHE . . . . . . "HE2 > HB2" 1.0000 30295 1 1 1 1 132 PHE . . . . . . "HE2 > HB3" 0.9994 30295 1 1 1 1 151 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HE2" 1.0000 30295 1 1 1 1 151 LYS . . . . . . "HA > HE2" 0.9935 30295 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 47 PHE HD1 7.12 . 7.06 0.31 8.4653e-01 30295 1 1 1 1 47 PHE HZ 0 A 7 0.42 2.2901e-62 30295 1 1 1 1 132 PHE C 176.176 . 175.42 1.99 7.0402e-01 30295 1 1 1 1 132 PHE CA 56.782 . 58.08 2.57 6.1352e-01 30295 1 1 1 1 132 PHE CB 40.807 . 39.99 2.09 6.9586e-01 30295 1 1 1 1 132 PHE H 8.8782 . 8.36 0.72 4.7170e-01 30295 1 1 1 1 132 PHE HA 5.016 . 4.63 0.57 4.9828e-01 30295 1 1 1 1 132 PHE HB2 2.368 . 3 0.37 8.7616e-02 30295 1 1 1 1 132 PHE HB3 2.917 . 2.93 0.4 9.7407e-01 30295 1 1 1 1 132 PHE HD1 7.026 . 7.06 0.31 9.1267e-01 30295 1 1 1 1 132 PHE HE1 7.207 . 7.08 0.31 6.8204e-01 30295 1 1 1 1 132 PHE HE2 0 A 7.08 0.32 0.0000e+00 30295 1 1 1 1 132 PHE HZ 7.387 . 7 0.42 3.5683e-01 30295 1 1 1 1 132 PHE N 120.8205 . 120.45 4.18 9.2937e-01 30295 1 1 1 1 151 LYS C 179.455 . 176.64 2 1.5928e-01 30295 1 1 1 1 151 LYS CA 59.011 . 56.95 2.2 3.4885e-01 30295 1 1 1 1 151 LYS CB 32.5 . 32.79 1.78 8.7058e-01 30295 1 1 1 1 151 LYS CG 25.35 . 24.89 1.13 6.8395e-01 30295 1 1 1 1 151 LYS CD 29.65 . 28.96 1.08 5.2290e-01 30295 1 1 1 1 151 LYS H 7.9051 . 8.19 0.6 6.3491e-01 30295 1 1 1 1 151 LYS HA 4.022 . 4.27 0.44 5.7300e-01 30295 1 1 1 1 151 LYS HB2 1.782 . 1.78 0.25 9.9362e-01 30295 1 1 1 1 151 LYS HB3 1.838 . 1.74 0.27 7.1663e-01 30295 1 1 1 1 151 LYS HG2 1.232 . 1.37 0.26 5.9558e-01 30295 1 1 1 1 151 LYS HG3 1.435 . 1.35 0.28 7.6145e-01 30295 1 1 1 1 151 LYS HD2 1.565 . 1.61 0.22 8.3793e-01 30295 1 1 1 1 151 LYS HD3 1.595 . 1.6 0.22 9.8187e-01 30295 1 1 1 1 151 LYS HE2 42.02 A 2.92 0.19 0.0000e+00 30295 1 1 1 1 151 LYS HE3 2.904 . 2.91 0.2 9.7607e-01 30295 1 1 1 1 151 LYS N 117.8985 . 121.05 3.77 4.0319e-01 30295 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 1 132 PHE PHE 0.21 30295 1 1 1 1 132 PHE TYR 0.18 30295 1 1 1 1 132 PHE LEU 0.16 30295 1 1 1 1 132 PHE ASP 0.15 30295 1 1 1 1 132 PHE LYS 0.11 30295 1 1 1 1 132 PHE CYS 0.09 30295 1 1 1 1 132 PHE ILE 0.02 30295 1 1 1 1 132 PHE ASN 0.02 30295 1 1 1 1 151 LYS CYS 0.54 30295 1 1 1 1 151 LYS LYS 0.45 30295 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30295 _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 30295 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30295 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30295 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30295 _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_