data_AVS_bmrb_pdb_report_17405 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17405 _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 1 GLY Anomalous Indeterminable Consistent Consistent Anomalous Indeterminable . . 17405 1 1 1 1 33 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 17405 1 1 1 1 97 LYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 17405 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 1 GLY C 999.000 A 173.87 1.88 0.0000e+00 17405 1 1 1 1 1 GLY HA2 3.797 . 3.97 0.37 6.4009e-01 17405 1 1 1 1 1 GLY HA3 3.797 . 3.9 0.37 7.8072e-01 17405 1 1 1 1 33 PRO C 999.000 A 176.75 1.51 0.0000e+00 17405 1 1 1 1 33 PRO CA 62.580 . 63.33 1.52 6.2171e-01 17405 1 1 1 1 33 PRO CB 32.763 . 31.85 1.18 4.3909e-01 17405 1 1 1 1 33 PRO CG 25.263 . 27.17 1.09 8.0198e-02 17405 1 1 1 1 33 PRO CD 50.222 . 50.32 0.99 9.2115e-01 17405 1 1 1 1 33 PRO HA 5.055 . 4.4 0.33 4.7161e-02 17405 1 1 1 1 33 PRO HB2 2.537 . 2.08 0.35 1.9165e-01 17405 1 1 1 1 33 PRO HB3 2.125 . 2 0.36 7.2842e-01 17405 1 1 1 1 33 PRO HG2 1.972 . 1.93 0.31 8.9223e-01 17405 1 1 1 1 33 PRO HG3 1.972 . 1.9 0.33 8.2729e-01 17405 1 1 1 1 33 PRO HD2 3.691 . 3.65 0.35 9.0675e-01 17405 1 1 1 1 33 PRO HD3 3.582 . 3.61 0.39 9.4277e-01 17405 1 1 1 1 97 LYS C 999.000 A 176.64 2 0.0000e+00 17405 1 1 1 1 97 LYS CA 59.242 . 56.95 2.2 2.9750e-01 17405 1 1 1 1 97 LYS CB 32.097 . 32.79 1.78 6.9703e-01 17405 1 1 1 1 97 LYS CG 24.698 . 24.89 1.13 8.6508e-01 17405 1 1 1 1 97 LYS CD 29.064 . 28.96 1.08 9.2329e-01 17405 1 1 1 1 97 LYS CE 42.118 . 41.89 0.82 7.8097e-01 17405 1 1 1 1 97 LYS HA 4.039 . 4.27 0.44 5.9958e-01 17405 1 1 1 1 97 LYS HB2 1.910 . 1.78 0.25 6.0306e-01 17405 1 1 1 1 97 LYS HB3 1.869 . 1.74 0.27 6.3281e-01 17405 1 1 1 1 97 LYS HG2 1.478 . 1.37 0.26 6.7786e-01 17405 1 1 1 1 97 LYS HG3 1.478 . 1.35 0.28 6.4757e-01 17405 1 1 1 1 97 LYS HD2 1.699 . 1.61 0.22 6.8581e-01 17405 1 1 1 1 97 LYS HD3 1.699 . 1.6 0.22 6.5271e-01 17405 1 1 1 1 97 LYS HE2 3.008 . 2.92 0.19 6.4325e-01 17405 1 1 1 1 97 LYS HE3 3.008 . 2.91 0.2 6.2413e-01 17405 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 33 PRO CYS 0.51 17405 1 1 1 1 33 PRO PRO 0.48 17405 1 1 1 1 97 LYS CYS 0.44 17405 1 1 1 1 97 LYS LYS 0.43 17405 1 1 1 1 97 LYS ARG 0.11 17405 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17405 _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 17405 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17405 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17405 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17405 _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_