data_AVS_bmrb_pdb_report_6967 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6967 _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 29 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 6967 1 1 1 1 56 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 6967 1 1 1 2 1 HEM UNSUPPORTED . . . . . . . 6967 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 29 PRO HA 2.99 S 4.4 0.33 1.9310e-05 6967 1 1 1 1 29 PRO HB2 1.36 . 2.08 0.35 3.9673e-02 6967 1 1 1 1 29 PRO HB3 1.36 . 2 0.36 7.5440e-02 6967 1 1 1 1 29 PRO HG2 -0.96 A 1.93 0.31 1.1354e-20 6967 1 1 1 1 29 PRO HG3 -1.29 A 1.9 0.33 4.1776e-22 6967 1 1 1 1 29 PRO HD2 -0.56 A 3.65 0.35 2.5147e-33 6967 1 1 1 1 29 PRO HD3 -0.56 A 3.61 0.39 1.1058e-26 6967 1 1 1 1 56 LEU H 9.64 . 8.23 0.65 3.0065e-02 6967 1 1 1 1 56 LEU HA 5.57 . 4.32 0.47 7.8239e-03 6967 1 1 1 1 56 LEU HB2 3.60 A 1.61 0.34 4.8295e-09 6967 1 1 1 1 56 LEU HB3 2.96 S 1.52 0.36 6.3342e-05 6967 1 1 1 1 56 LEU HG 2.80 S 1.51 0.33 9.2644e-05 6967 1 1 1 1 56 LEU HD11 2.11 S 0.75 0.28 1.1909e-06 6967 1 1 1 1 56 LEU HD12 2.11 S 0.75 0.28 1.1909e-06 6967 1 1 1 1 56 LEU HD13 2.11 S 0.75 0.28 1.1909e-06 6967 1 1 1 1 56 LEU HD21 1.68 . 0.73 0.29 1.0534e-03 6967 1 1 1 1 56 LEU HD22 1.68 . 0.73 0.29 1.0534e-03 6967 1 1 1 1 56 LEU HD23 1.68 . 0.73 0.29 1.0534e-03 6967 1 1 1 1 56 LEU N 112.3 . 121.86 3.9 1.4235e-02 6967 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6967 _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 6967 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6967 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6967 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6967 _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_