data_AVS_bmrb_pdb_report_18580 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18580 _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 9 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18580 1 1 1 1 37 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18580 1 1 1 1 83 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18580 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 9 PRO C 177.04 . 176.75 1.51 8.4770e-01 18580 1 1 1 1 9 PRO CA 63.44 . 63.33 1.52 9.4231e-01 18580 1 1 1 1 9 PRO CB 32.19 . 31.85 1.18 7.7324e-01 18580 1 1 1 1 9 PRO CG 27.489 . 27.17 1.09 7.6978e-01 18580 1 1 1 1 9 PRO HA 4.391 . 4.4 0.33 9.7824e-01 18580 1 1 1 1 9 PRO HB2 2.288 . 2.08 0.35 5.5232e-01 18580 1 1 1 1 9 PRO HB3 1.935 . 2 0.36 8.5672e-01 18580 1 1 1 1 9 PRO HG2 1.954 . 1.93 0.31 9.3829e-01 18580 1 1 1 1 9 PRO HG3 1.954 . 1.9 0.33 8.7002e-01 18580 1 1 1 1 9 PRO N 108.89 A 134.16 6.62 1.3496e-04 18580 1 1 1 1 37 PRO C 176.85 . 176.75 1.51 9.4720e-01 18580 1 1 1 1 37 PRO CA 63.4 . 63.33 1.52 9.6327e-01 18580 1 1 1 1 37 PRO CB 32.13 . 31.85 1.18 8.1243e-01 18580 1 1 1 1 37 PRO CG 27.374 . 27.17 1.09 8.5154e-01 18580 1 1 1 1 37 PRO HA 4.432 . 4.4 0.33 9.2275e-01 18580 1 1 1 1 37 PRO HB2 2.279 . 2.08 0.35 5.6965e-01 18580 1 1 1 1 37 PRO HB3 1.912 . 2 0.36 8.0689e-01 18580 1 1 1 1 37 PRO HG2 2.007 . 1.93 0.31 8.0383e-01 18580 1 1 1 1 37 PRO HG3 2.007 . 1.9 0.33 7.4575e-01 18580 1 1 1 1 37 PRO N 109.76 A 134.16 6.62 2.2798e-04 18580 1 1 1 1 83 PRO C 176.8 . 176.75 1.51 9.7358e-01 18580 1 1 1 1 83 PRO CA 62.94 . 63.33 1.52 7.9750e-01 18580 1 1 1 1 83 PRO CB 32.14 . 31.85 1.18 8.0587e-01 18580 1 1 1 1 83 PRO CG 27.353 . 27.17 1.09 8.6667e-01 18580 1 1 1 1 83 PRO HA 4.409 . 4.4 0.33 9.7824e-01 18580 1 1 1 1 83 PRO HB2 2.275 . 2.08 0.35 5.7743e-01 18580 1 1 1 1 83 PRO HB3 2.186 . 2 0.36 6.0539e-01 18580 1 1 1 1 83 PRO HG2 2.016 . 1.93 0.31 7.8146e-01 18580 1 1 1 1 83 PRO HG3 2.016 . 1.9 0.33 7.2520e-01 18580 1 1 1 1 83 PRO N 107.46 A 134.16 6.62 5.5015e-05 18580 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 9 PRO PRO 0.72 18580 1 1 1 1 9 PRO CYS 0.22 18580 1 1 1 1 9 PRO ARG 0.02 18580 1 1 1 1 9 PRO ILE 0.01 18580 1 1 1 1 9 PRO LYS 0.01 18580 1 1 1 1 37 PRO PRO 0.72 18580 1 1 1 1 37 PRO CYS 0.22 18580 1 1 1 1 37 PRO ARG 0.02 18580 1 1 1 1 83 PRO PRO 0.67 18580 1 1 1 1 83 PRO CYS 0.25 18580 1 1 1 1 83 PRO ARG 0.03 18580 1 1 1 1 83 PRO LYS 0.01 18580 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18580 _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 18580 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18580 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18580 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18580 _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_