data_AVS_bmrb_pdb_report_5629 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5629 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5629 1 1 1 1 26 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5629 1 1 1 1 57 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5629 1 1 1 1 26 PRO C 180.227 . 176.7 1.69 3.6890e-02 5629 1 1 1 1 26 PRO CA 65.712 . 63.3 1.64 1.4136e-01 5629 1 1 1 1 26 PRO CB 31.220 . 31.81 1.54 7.0163e-01 5629 1 1 1 1 26 PRO CG 28.078 . 27.14 1.18 4.2666e-01 5629 1 1 1 1 26 PRO CD 50.012 . 50.28 1.04 7.9664e-01 5629 1 1 1 1 26 PRO HA 4.324 . 4.41 0.36 8.1119e-01 5629 1 1 1 1 26 PRO HB2 1.702 . 2.05 0.39 3.7223e-01 5629 1 1 1 1 26 PRO HB3 2.284 . 2.05 0.39 5.4851e-01 5629 1 1 1 1 26 PRO HG2 1.977 . 1.93 0.36 8.9613e-01 5629 1 1 1 1 26 PRO HG3 2.133 . 1.92 0.37 5.6483e-01 5629 1 1 1 1 26 PRO HD2 3.640 . 3.64 0.36 1.0000e+00 5629 1 1 1 1 26 PRO HD3 3.542 . 3.63 0.4 8.2587e-01 5629 1 1 1 1 26 PRO N 104.666 M 127.4 10.05 2.3692e-02 5629 1 1 1 1 57 PRO C 179.260 . 176.7 1.69 1.2982e-01 5629 1 1 1 1 57 PRO CA 65.733 . 63.3 1.64 1.3793e-01 5629 1 1 1 1 57 PRO CB 31.265 . 31.81 1.54 7.2342e-01 5629 1 1 1 1 57 PRO CG 27.840 . 27.14 1.18 5.5303e-01 5629 1 1 1 1 57 PRO HA 4.246 . 4.41 0.36 6.4871e-01 5629 1 1 1 1 57 PRO HB2 1.661 . 2.05 0.39 3.1855e-01 5629 1 1 1 1 57 PRO HB3 2.239 . 2.05 0.39 6.2795e-01 5629 1 1 1 1 57 PRO HG2 1.970 . 1.93 0.36 9.1153e-01 5629 1 1 1 1 57 PRO HG3 1.970 . 1.92 0.37 8.9251e-01 5629 1 1 1 1 57 PRO N 104.392 M 127.4 10.05 2.2059e-02 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5629 1 1 1 1 26 PRO PRO 0.99 5629 1 1 1 1 57 PRO PRO 0.98 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5629 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5629 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5629 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5629 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5629 _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_