data_AVS_bmrb_pdb_report_10006 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10006 _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 10006 1 1 1 1 32 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10006 1 1 1 1 48 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 10006 1 1 1 1 32 ILE C 173.164 . 175.82 1.95 1.7318e-01 10006 1 1 1 1 32 ILE CA 61.192 . 61.59 2.78 8.8616e-01 10006 1 1 1 1 32 ILE CB 44.840 M 38.58 2.09 2.7425e-03 10006 1 1 1 1 32 ILE CG1 28.453 . 27.65 2.32 7.2925e-01 10006 1 1 1 1 32 ILE CG2 17.841 . 17.36 1.6 7.6370e-01 10006 1 1 1 1 32 ILE CD1 15.700 . 13.41 1.91 2.3055e-01 10006 1 1 1 1 32 ILE H 8.291 . 8.26 0.71 9.6517e-01 10006 1 1 1 1 32 ILE HA 4.219 . 4.2 0.56 9.7293e-01 10006 1 1 1 1 32 ILE HB 1.179 . 1.8 0.31 4.5153e-02 10006 1 1 1 1 32 ILE HG2 0.706 . 0.8 0.29 7.4583e-01 10006 1 1 1 1 32 ILE HG12 1.404 . 1.3 0.4 7.9486e-01 10006 1 1 1 1 32 ILE HG13 1.002 . 1.24 0.4 5.5184e-01 10006 1 1 1 1 32 ILE HD1 0.900 . 0.7 0.3 5.0499e-01 10006 1 1 1 1 32 ILE N 119.550 . 121.6 4.72 6.6405e-01 10006 1 1 1 1 48 GLN C 176.631 . 176.39 1.96 9.0214e-01 10006 1 1 1 1 48 GLN CA 57.053 . 56.62 2.19 8.4327e-01 10006 1 1 1 1 48 GLN CB 28.151 . 29.1 1.97 6.3000e-01 10006 1 1 1 1 48 GLN CG 33.426 . 33.72 1.1 7.8926e-01 10006 1 1 1 1 48 GLN H 8.057 . 8.22 0.62 7.9263e-01 10006 1 1 1 1 48 GLN HA 1.603 M 4.28 0.44 1.1715e-09 10006 1 1 1 1 48 GLN HB2 1.095 S 2.05 0.28 6.4793e-04 10006 1 1 1 1 48 GLN HB3 1.048 S 2.04 0.29 6.2463e-04 10006 1 1 1 1 48 GLN HG2 1.161 S 2.32 0.29 6.4272e-05 10006 1 1 1 1 48 GLN HG3 1.161 S 2.32 0.29 6.4272e-05 10006 1 1 1 1 48 GLN HE21 6.727 . 7.17 0.46 3.3553e-01 10006 1 1 1 1 48 GLN HE22 6.633 . 7.07 0.49 3.7248e-01 10006 1 1 1 1 48 GLN N 121.117 . 119.92 4.01 7.6532e-01 10006 1 1 1 1 48 GLN NE2 111.577 . 111.81 2.2 9.1565e-01 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 10006 1 1 1 1 32 ILE GLY 0.92 10006 1 1 1 1 32 ILE ILE 0.07 10006 1 1 1 1 48 GLN LYS 0.34 10006 1 1 1 1 48 GLN GLN 0.34 10006 1 1 1 1 48 GLN ARG 0.15 10006 1 1 1 1 48 GLN GLU 0.09 10006 1 1 1 1 48 GLN MET 0.04 10006 1 1 1 1 48 GLN ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10006 _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 10006 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 10006 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10006 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10006 _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_