data_AVS_bmrb_pdb_report_16388 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16388 _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 6 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16388 1 1 1 1 141 TRP Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CD1 > CZ2" 1.0000 16388 1 1 1 1 141 TRP . . . . . . "CH2 > CZ2" 0.9900 16388 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 6 TYR C 169.12 A 175.39 1.89 9.0840e-04 16388 1 1 1 1 6 TYR CA 56.114 . 58.02 2.64 4.7031e-01 16388 1 1 1 1 6 TYR CB 38.656 . 39.16 2.23 8.2119e-01 16388 1 1 1 1 6 TYR CD1 133.1 . 132.54 1.35 6.7828e-01 16388 1 1 1 1 6 TYR CD2 133.1 . 132.26 1.99 6.7294e-01 16388 1 1 1 1 6 TYR CE1 117.5 . 117.81 2.09 8.8209e-01 16388 1 1 1 1 6 TYR CE2 117.5 . 117.91 2.6 8.7470e-01 16388 1 1 1 1 6 TYR H 8.448 . 8.37 0.75 9.1717e-01 16388 1 1 1 1 6 TYR HA 4.973 . 4.63 0.56 5.4021e-01 16388 1 1 1 1 6 TYR HB2 3.425 . 2.91 0.37 1.6395e-01 16388 1 1 1 1 6 TYR HB3 3.166 . 2.91 0.37 4.8901e-01 16388 1 1 1 1 6 TYR HD1 6.835 . 6.87 0.65 9.5706e-01 16388 1 1 1 1 6 TYR HD2 6.835 . 6.86 0.68 9.7067e-01 16388 1 1 1 1 6 TYR HE1 6.62 . 6.64 0.58 9.7249e-01 16388 1 1 1 1 6 TYR HE2 6.62 . 6.63 0.61 9.8692e-01 16388 1 1 1 1 6 TYR N 118.372 . 120.79 4.69 6.0616e-01 16388 1 1 1 1 141 TRP C 176.57 . 176.1 1.89 8.0361e-01 16388 1 1 1 1 141 TRP CA 62.66 . 57.71 2.65 6.1773e-02 16388 1 1 1 1 141 TRP CB 28.623 . 30.16 2.19 4.8279e-01 16388 1 1 1 1 141 TRP CD1 126.8 . 126.16 1.76 7.1613e-01 16388 1 1 1 1 141 TRP CE3 120.2 . 120.38 1.5 9.0448e-01 16388 1 1 1 1 141 TRP CZ2 127.6 A 114.19 1.09 8.7540e-35 16388 1 1 1 1 141 TRP CZ3 122.3 . 121.57 1.76 6.7831e-01 16388 1 1 1 1 141 TRP CH2 125.1 . 123.75 1.34 3.1371e-01 16388 1 1 1 1 141 TRP H 8.432 . 8.35 0.84 9.2224e-01 16388 1 1 1 1 141 TRP HA 4.194 . 4.74 0.55 3.2084e-01 16388 1 1 1 1 141 TRP HB2 3.819 . 3.22 0.36 9.6135e-02 16388 1 1 1 1 141 TRP HB3 3.478 . 3.18 0.36 4.0780e-01 16388 1 1 1 1 141 TRP HD1 7.308 . 7.16 0.34 6.6335e-01 16388 1 1 1 1 141 TRP HE1 10.25 . 10.13 0.53 8.2088e-01 16388 1 1 1 1 141 TRP HE3 7.41 . 7.17 1.03 8.1575e-01 16388 1 1 1 1 141 TRP HZ2 7.306 . 7.14 0.89 8.5204e-01 16388 1 1 1 1 141 TRP HZ3 7.057 . 6.68 1.02 7.1167e-01 16388 1 1 1 1 141 TRP HH2 7.43 . 6.82 0.94 5.1638e-01 16388 1 1 1 1 141 TRP N 122.920 . 121.87 4.58 8.1867e-01 16388 1 1 1 1 141 TRP NE1 129.70 . 129.48 2.56 9.3152e-01 16388 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 6 TYR TYR 0.56 16388 1 1 1 1 6 TYR CYS 0.43 16388 1 1 1 1 141 TRP CYS 0.94 16388 1 1 1 1 141 TRP HIS 0.05 16388 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16388 _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 16388 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16388 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16388 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16388 _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_