data_AVS_bmrb_pdb_report_16256 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16256 _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 18 LEU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 16256 1 1 1 1 18 LEU . . . . . . "C > CB" 1.0000 16256 1 1 1 1 18 LEU . . . . . . "C > CG" 1.0000 16256 1 1 1 1 18 LEU . . . . . . "C > CD1" 1.0000 16256 1 1 1 1 18 LEU . . . . . . "C > CD2" 1.0000 16256 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 18 LEU C 0.000 A 176.97 2.09 0.0000e+00 16256 1 1 1 1 18 LEU CA 58.313 . 55.65 2.21 2.2821e-01 16256 1 1 1 1 18 LEU CB 41.196 . 42.37 1.86 5.2792e-01 16256 1 1 1 1 18 LEU CG 27.293 . 26.77 1.25 6.7565e-01 16256 1 1 1 1 18 LEU CD1 23.790 . 24.73 1.71 5.8252e-01 16256 1 1 1 1 18 LEU CD2 26.883 . 24.1 1.78 1.1794e-01 16256 1 1 1 1 18 LEU H 8.614 . 8.22 0.65 5.4441e-01 16256 1 1 1 1 18 LEU HA 3.944 . 4.32 0.47 4.2371e-01 16256 1 1 1 1 18 LEU HB2 2.006 . 1.63 0.34 2.6878e-01 16256 1 1 1 1 18 LEU HB3 1.450 . 1.57 0.36 7.3888e-01 16256 1 1 1 1 18 LEU HG 1.429 . 1.54 0.33 7.3660e-01 16256 1 1 1 1 18 LEU HD11 0.772 . 0.77 0.27 9.9409e-01 16256 1 1 1 1 18 LEU HD12 0.772 . 0.77 0.27 9.9409e-01 16256 1 1 1 1 18 LEU HD13 0.772 . 0.77 0.27 9.9409e-01 16256 1 1 1 1 18 LEU HD21 0.909 . 0.76 0.28 5.9463e-01 16256 1 1 1 1 18 LEU HD22 0.909 . 0.76 0.28 5.9463e-01 16256 1 1 1 1 18 LEU HD23 0.909 . 0.76 0.28 5.9463e-01 16256 1 1 1 1 18 LEU N 120.354 . 121.98 4.07 6.8952e-01 16256 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 18 LEU CYS 0.48 16256 1 1 1 1 18 LEU LEU 0.37 16256 1 1 1 1 18 LEU ARG 0.11 16256 1 1 1 1 18 LEU LYS 0.02 16256 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16256 _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 16256 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16256 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16256 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16256 _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_