data_AVS_bmrb_pdb_report_16007 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16007 _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 70 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 16007 1 1 1 1 71 PRO Anomalous Consistent Suspicious Anomalous Consistent Indeterminable "HD2 > HG2" 0.9934 16007 1 1 1 1 71 PRO . . . . . . "HD2 > HG3" 0.9949 16007 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 70 PRO CA 66.753 . 63.3 1.64 3.5249e-02 16007 1 1 1 1 70 PRO CB 30.054 . 31.81 1.54 2.5418e-01 16007 1 1 1 1 70 PRO CG 27.594 . 27.14 1.18 7.0043e-01 16007 1 1 1 1 70 PRO CD 51.454 . 50.28 1.04 2.5896e-01 16007 1 1 1 1 70 PRO HA 3.923 . 4.41 0.36 1.7613e-01 16007 1 1 1 1 70 PRO HB2 2.507 . 2.05 0.39 2.4128e-01 16007 1 1 1 1 70 PRO HB3 1.903 . 2.05 0.39 7.0623e-01 16007 1 1 1 1 70 PRO HG2 2.115 . 1.93 0.36 6.0733e-01 16007 1 1 1 1 70 PRO HG3 2.297 . 1.92 0.37 3.0824e-01 16007 1 1 1 1 70 PRO HD2 4.640 A 3.64 0.36 5.4732e-03 16007 1 1 1 1 70 PRO HD3 3.612 . 3.63 0.4 9.6411e-01 16007 1 1 1 1 71 PRO CA 65.803 . 63.3 1.64 1.2696e-01 16007 1 1 1 1 71 PRO CB 30.620 . 31.81 1.54 4.3968e-01 16007 1 1 1 1 71 PRO CG 28.161 . 27.14 1.18 3.8690e-01 16007 1 1 1 1 71 PRO CD 49.046 . 50.28 1.04 2.3541e-01 16007 1 1 1 1 71 PRO HA 3.716 . 4.41 0.36 5.3883e-02 16007 1 1 1 1 71 PRO HB2 1.618 . 2.05 0.39 2.6799e-01 16007 1 1 1 1 71 PRO HB3 -0.320 A 2.05 0.39 1.2251e-09 16007 1 1 1 1 71 PRO HG2 1.410 . 1.93 0.36 1.4861e-01 16007 1 1 1 1 71 PRO HG3 1.120 . 1.92 0.37 3.0606e-02 16007 1 1 1 1 71 PRO HD2 0.793 A 3.64 0.36 2.6086e-15 16007 1 1 1 1 71 PRO HD3 3.002 . 3.63 0.4 1.1641e-01 16007 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 70 PRO CYS 0.58 16007 1 1 1 1 70 PRO PRO 0.41 16007 1 1 1 1 71 PRO PRO 0.84 16007 1 1 1 1 71 PRO CYS 0.12 16007 1 1 1 1 71 PRO GLY 0.02 16007 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16007 _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 16007 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16007 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16007 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16007 _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_