data_AVS_bmrb_pdb_report_15851 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15851 _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 78 VAL Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB" 0.9996 15851 1 1 1 1 95 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15851 1 1 1 2 1 CA UNSUPPORTED . . . . . . .15851 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 78 VAL C 176.393 . 175.69 2.03 7.2911e-01 15851 1 1 1 1 78 VAL CA 63.438 . 62.48 3.04 7.5266e-01 15851 1 1 1 1 78 VAL CB 30.726 . 32.66 1.91 3.1127e-01 15851 1 1 1 1 78 VAL CG1 21.503 . 21.38 1.53 9.3593e-01 15851 1 1 1 1 78 VAL CG2 20.909 . 21.31 1.76 8.1977e-01 15851 1 1 1 1 78 VAL H 7.003 . 8.29 0.71 6.9882e-02 15851 1 1 1 1 78 VAL HA 1.218 A 4.16 0.57 2.4511e-07 15851 1 1 1 1 78 VAL HB 1.583 . 1.99 0.33 2.1745e-01 15851 1 1 1 1 78 VAL HG11 0.177 . 0.84 0.27 1.4067e-02 15851 1 1 1 1 78 VAL HG12 0.177 . 0.84 0.27 1.4067e-02 15851 1 1 1 1 78 VAL HG13 0.177 . 0.84 0.27 1.4067e-02 15851 1 1 1 1 78 VAL HG21 -0.078 . 0.83 0.29 1.7419e-03 15851 1 1 1 1 78 VAL HG22 -0.078 . 0.83 0.29 1.7419e-03 15851 1 1 1 1 78 VAL HG23 -0.078 . 0.83 0.29 1.7419e-03 15851 1 1 1 1 78 VAL N 118.750 . 121.02 4.96 6.4720e-01 15851 1 1 1 1 95 GLU C 175.922 . 176.93 2.11 6.3285e-01 15851 1 1 1 1 95 GLU CA 56.060 . 57.42 2.19 5.3460e-01 15851 1 1 1 1 95 GLU CB 26.928 . 30.07 1.84 8.7709e-02 15851 1 1 1 1 95 GLU CG 37.042 . 36.01 1.51 4.9433e-01 15851 1 1 1 1 95 GLU H 6.610 . 8.34 0.61 4.5673e-03 15851 1 1 1 1 95 GLU HA 3.896 . 4.26 0.43 3.9727e-01 15851 1 1 1 1 95 GLU HB2 2.136 . 2.04 0.22 6.6257e-01 15851 1 1 1 1 95 GLU HB3 1.980 . 2.04 0.23 7.9419e-01 15851 1 1 1 1 95 GLU HG2 1.881 . 2.31 0.21 4.1067e-02 15851 1 1 1 1 95 GLU HG3 1.719 . 2.31 0.21 4.8886e-03 15851 1 1 1 1 95 GLU N 109.781 A 120.68 3.68 3.0596e-03 15851 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 78 VAL VAL 0.82 15851 1 1 1 1 78 VAL CYS 0.17 15851 1 1 1 1 95 GLU CYS 0.56 15851 1 1 1 1 95 GLU GLU 0.19 15851 1 1 1 1 95 GLU ILE 0.13 15851 1 1 1 1 95 GLU LYS 0.05 15851 1 1 1 1 95 GLU LEU 0.02 15851 1 1 1 1 95 GLU GLN 0.01 15851 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15851 _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 15851 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15851 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15851 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15851 _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_