data_AVS_bmrb_pdb_report_6965 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6965 _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 82 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 6965 1 1 1 1 123 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 6965 1 1 1 1 124 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 6965 1 1 1 2 11 CU UNSUPPORTED . . . . . . . 6965 1 1 1 3 1 CU UNSUPPORTED . . . . . . . 6965 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 82 HIS H 8.64 . 8.24 0.68 5.5637e-01 6965 1 1 1 1 82 HIS HA 5.16 . 4.61 0.43 2.0087e-01 6965 1 1 1 1 82 HIS HB2 2.36 . 3.1 0.36 3.9825e-02 6965 1 1 1 1 82 HIS HB3 2.36 . 3.04 0.38 7.3539e-02 6965 1 1 1 1 82 HIS HD2 31.99 A 7 0.43 0.0000e+00 6965 1 1 1 1 82 HIS HE2 24.47 A 9.64 2.6 1.1713e-08 6965 1 1 1 1 82 HIS N 120.8 . 119.69 4 7.8140e-01 6965 1 1 1 1 123 LEU H 7.85 . 8.23 0.65 5.5881e-01 6965 1 1 1 1 123 LEU HA 4.95 . 4.32 0.47 1.8011e-01 6965 1 1 1 1 123 LEU HB2 3.59 A 1.61 0.34 5.7618e-09 6965 1 1 1 1 123 LEU HB3 3.59 A 1.52 0.36 8.9243e-09 6965 1 1 1 1 123 LEU HG 1.48 . 1.51 0.33 9.2757e-01 6965 1 1 1 1 123 LEU HD11 0.79 . 0.75 0.28 8.8640e-01 6965 1 1 1 1 123 LEU HD12 0.79 . 0.75 0.28 8.8640e-01 6965 1 1 1 1 123 LEU HD13 0.79 . 0.75 0.28 8.8640e-01 6965 1 1 1 1 123 LEU HD21 0.75 . 0.73 0.29 9.4502e-01 6965 1 1 1 1 123 LEU HD22 0.75 . 0.73 0.29 9.4502e-01 6965 1 1 1 1 123 LEU HD23 0.75 . 0.73 0.29 9.4502e-01 6965 1 1 1 1 123 LEU N 109.4 . 121.86 3.9 1.3989e-03 6965 1 1 1 1 124 GLY H 5.70 S 8.33 0.65 5.2066e-05 6965 1 1 1 1 124 GLY HA2 3.72 . 3.97 0.37 4.9925e-01 6965 1 1 1 1 124 GLY HA3 0.91 A 3.9 0.37 6.4195e-16 6965 1 1 1 1 124 GLY N 105.3 . 109.67 3.87 2.5881e-01 6965 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6965 _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 6965 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6965 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6965 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6965 _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_