data_AVS_bmrb_pdb_report_16385 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16385 _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 45 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16385 1 1 1 1 81 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16385 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 45 ILE C 176.667 . 175.82 1.95 6.6403e-01 16385 1 1 1 1 45 ILE CA 61.220 . 61.59 2.78 8.9412e-01 16385 1 1 1 1 45 ILE CB 38.830 . 38.58 2.09 9.0479e-01 16385 1 1 1 1 45 ILE CG1 26.910 . 27.65 2.32 7.4975e-01 16385 1 1 1 1 45 ILE CG2 16.769 . 17.36 1.6 7.1185e-01 16385 1 1 1 1 45 ILE CD1 10.014 . 13.41 1.91 7.5402e-02 16385 1 1 1 1 45 ILE H 8.410 . 8.26 0.71 8.3268e-01 16385 1 1 1 1 45 ILE HA 4.418 . 4.2 0.56 6.9706e-01 16385 1 1 1 1 45 ILE HB 1.422 . 1.8 0.31 2.2271e-01 16385 1 1 1 1 45 ILE HG12 0.677 . 1.3 0.4 1.1935e-01 16385 1 1 1 1 45 ILE HG13 0.168 . 1.24 0.4 7.3622e-03 16385 1 1 1 1 45 ILE HG21 0.370 . 0.8 0.29 1.3814e-01 16385 1 1 1 1 45 ILE HG22 0.370 . 0.8 0.29 1.3814e-01 16385 1 1 1 1 45 ILE HG23 0.370 . 0.8 0.29 1.3814e-01 16385 1 1 1 1 45 ILE HD11 -1.066 A 0.7 0.3 3.9406e-09 16385 1 1 1 1 45 ILE HD12 -1.066 A 0.7 0.3 3.9406e-09 16385 1 1 1 1 45 ILE HD13 -1.066 A 0.7 0.3 3.9406e-09 16385 1 1 1 1 45 ILE N 118.408 . 121.6 4.72 4.9887e-01 16385 1 1 1 1 81 ALA C 175.692 . 177.8 2.18 3.3356e-01 16385 1 1 1 1 81 ALA CA 49.681 . 53.16 2.06 9.1251e-02 16385 1 1 1 1 81 ALA CB 22.689 . 18.9 1.85 4.0549e-02 16385 1 1 1 1 81 ALA H 9.034 . 8.2 0.6 1.6453e-01 16385 1 1 1 1 81 ALA HA 6.185 A 4.26 0.42 4.5762e-06 16385 1 1 1 1 81 ALA HB1 1.237 . 1.38 0.25 5.6732e-01 16385 1 1 1 1 81 ALA HB2 1.237 . 1.38 0.25 5.6732e-01 16385 1 1 1 1 81 ALA HB3 1.237 . 1.38 0.25 5.6732e-01 16385 1 1 1 1 81 ALA N 123.195 . 123.23 3.7 9.9245e-01 16385 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 45 ILE ILE 0.99 16385 1 1 1 1 81 ALA ALA 0.49 16385 1 1 1 1 81 ALA LEU 0.32 16385 1 1 1 1 81 ALA MET 0.1 16385 1 1 1 1 81 ALA GLY 0.03 16385 1 1 1 1 81 ALA LYS 0.02 16385 1 1 1 1 81 ALA PRO 0.01 16385 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16385 _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 16385 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16385 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16385 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16385 _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_