data_AVS_bmrb_pdb_report_6007 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6007 _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 6007 1 1 1 1 26 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6007 1 1 1 1 92 TRP Anomalous Suspicious Consistent Consistent Anomalous 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 6007 1 1 1 1 26 PHE C 176.62 . 175.49 2.13 5.9575e-01 6007 1 1 1 1 26 PHE CA 61.89 . 58.25 2.73 1.8242e-01 6007 1 1 1 1 26 PHE CB 39.83 . 39.95 2.04 9.5309e-01 6007 1 1 1 1 26 PHE CD1 131.55 . 131.38 1.38 9.0196e-01 6007 1 1 1 1 26 PHE CE1 128.98 . 130.48 1.29 2.4491e-01 6007 1 1 1 1 26 PHE CZ 131.75 . 129.11 1.68 1.1608e-01 6007 1 1 1 1 26 PHE H 7.53 . 8.42 0.74 2.2909e-01 6007 1 1 1 1 26 PHE HA 2.13 M 4.62 0.58 1.7619e-05 6007 1 1 1 1 26 PHE HB2 1.20 S 2.99 0.37 1.3126e-06 6007 1 1 1 1 26 PHE HB3 2.07 . 2.97 0.38 1.7864e-02 6007 1 1 1 1 26 PHE HD1 6.27 . 6.91 0.82 4.3510e-01 6007 1 1 1 1 26 PHE HE1 7.11 . 6.95 0.82 8.4530e-01 6007 1 1 1 1 26 PHE HZ 7.39 . 6.92 0.8 5.5687e-01 6007 1 1 1 1 26 PHE N 121.89 . 120.69 4.18 7.7405e-01 6007 1 1 1 1 92 TRP CA 56.48 . 57.71 2.65 6.4254e-01 6007 1 1 1 1 92 TRP CB 29.77 . 30.16 2.19 8.5866e-01 6007 1 1 1 1 92 TRP CZ2 120.87 M 114.19 1.09 8.8745e-10 6007 1 1 1 1 92 TRP CZ3 120.78 . 121.57 1.76 6.5353e-01 6007 1 1 1 1 92 TRP CH2 127.59 . 123.75 1.34 4.1613e-03 6007 1 1 1 1 92 TRP H 6.43 . 8.35 0.84 2.2271e-02 6007 1 1 1 1 92 TRP HA 4.37 . 4.74 0.55 5.0112e-01 6007 1 1 1 1 92 TRP HB2 2.59 . 3.22 0.36 8.0118e-02 6007 1 1 1 1 92 TRP HB3 3.27 . 3.18 0.36 8.0259e-01 6007 1 1 1 1 92 TRP HE1 9.87 . 10.13 0.53 6.2373e-01 6007 1 1 1 1 92 TRP HZ2 6.526 . 7.14 0.89 4.9027e-01 6007 1 1 1 1 92 TRP HZ3 7.25 . 6.68 1.02 5.7628e-01 6007 1 1 1 1 92 TRP HH2 7.057 . 6.82 0.94 8.0094e-01 6007 1 1 1 1 92 TRP N 118.07 . 121.87 4.58 4.0671e-01 6007 1 1 1 1 92 TRP NE1 127.74 . 129.48 2.56 4.9670e-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 6007 1 1 1 1 26 PHE TYR 0.53 6007 1 1 1 1 26 PHE PHE 0.25 6007 1 1 1 1 26 PHE CYS 0.21 6007 1 1 1 1 92 TRP CYS 0.97 6007 1 1 1 1 92 TRP HIS 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6007 _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 6007 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 6007 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6007 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6007 _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_