data_AVS_bmrb_pdb_report_17325 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17325 _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 1 106 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17325 1 1 1 1 109 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17325 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 1 106 PHE C 178.101 . 175.49 2.13 2.2027e-01 17325 1 1 1 1 106 PHE CA 62.882 . 58.25 2.73 8.9753e-02 17325 1 1 1 1 106 PHE CB 39.643 . 39.95 2.04 8.8038e-01 17325 1 1 1 1 106 PHE CG 142.66 A 138.35 1.12 1.1898e-04 17325 1 1 1 1 106 PHE CD1 132.31 . 131.38 1.38 5.0037e-01 17325 1 1 1 1 106 PHE CD2 132.31 . 131.33 1.48 5.0787e-01 17325 1 1 1 1 106 PHE CE1 132.31 . 130.48 1.29 1.5601e-01 17325 1 1 1 1 106 PHE CE2 132.31 . 130.6 0.97 7.7920e-02 17325 1 1 1 1 106 PHE CZ 129.17 . 129.11 1.68 9.7151e-01 17325 1 1 1 1 106 PHE H 8.762 . 8.42 0.74 6.4396e-01 17325 1 1 1 1 106 PHE HA 3.769 . 4.62 0.58 1.4231e-01 17325 1 1 1 1 106 PHE HB2 3.197 . 2.99 0.37 5.7585e-01 17325 1 1 1 1 106 PHE HB3 3.544 . 2.97 0.38 1.3091e-01 17325 1 1 1 1 106 PHE HD1 7.850 . 6.91 0.82 2.5165e-01 17325 1 1 1 1 106 PHE HD2 7.850 . 6.89 0.86 2.6430e-01 17325 1 1 1 1 106 PHE HE1 7.503 . 6.95 0.82 5.0006e-01 17325 1 1 1 1 106 PHE HE2 7.503 . 6.94 0.86 5.1269e-01 17325 1 1 1 1 106 PHE HZ 7.231 . 6.92 0.8 6.9746e-01 17325 1 1 1 1 106 PHE N 118.077 . 120.69 4.18 5.3189e-01 17325 1 1 1 1 109 LYS C 179.029 . 176.46 2.05 2.1014e-01 17325 1 1 1 1 109 LYS CA 57.091 . 56.84 2.25 9.1118e-01 17325 1 1 1 1 109 LYS CB 30.671 . 32.83 1.88 2.5080e-01 17325 1 1 1 1 109 LYS CG 22.017 . 24.91 1.31 2.7217e-02 17325 1 1 1 1 109 LYS CD 26.992 . 28.78 1.39 1.9833e-01 17325 1 1 1 1 109 LYS CE 41.496 . 41.78 0.98 7.7197e-01 17325 1 1 1 1 109 LYS H 7.664 . 8.22 0.64 3.8498e-01 17325 1 1 1 1 109 LYS HA 3.487 . 4.28 0.45 7.8032e-02 17325 1 1 1 1 109 LYS HB2 0.559 S 1.79 0.25 8.4793e-07 17325 1 1 1 1 109 LYS HB3 0.373 S 1.78 0.26 6.2486e-08 17325 1 1 1 1 109 LYS HG2 -0.438 S 1.38 0.27 1.6582e-11 17325 1 1 1 1 109 LYS HG3 -0.407 S 1.37 0.29 8.9222e-10 17325 1 1 1 1 109 LYS HD2 -0.310 A 1.61 0.25 1.5909e-14 17325 1 1 1 1 109 LYS HD3 -0.283 A 1.61 0.25 3.6752e-14 17325 1 1 1 1 109 LYS HE2 2.141 S 2.93 0.2 7.9800e-05 17325 1 1 1 1 109 LYS HE3 2.129 S 2.93 0.2 6.2017e-05 17325 1 1 1 1 109 LYS N 121.118 . 121.16 4.11 9.9185e-01 17325 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 1 106 PHE CYS 0.97 17325 1 1 1 1 106 PHE PHE 0.02 17325 1 1 1 1 109 LYS CYS 0.47 17325 1 1 1 1 109 LYS ARG 0.38 17325 1 1 1 1 109 LYS LYS 0.08 17325 1 1 1 1 109 LYS ALA 0.02 17325 1 1 1 1 109 LYS MET 0.02 17325 1 1 1 1 109 LYS LEU 0.01 17325 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17325 _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.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 17325 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17325 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17325 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17325 _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_