data_AVS_bmrb_pdb_report_11362 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11362 _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 20 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11362 1 1 1 1 47 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11362 1 1 1 1 63 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11362 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11362 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 20 GLN C 175.521 . 176.39 1.96 6.5750e-01 11362 1 1 1 1 20 GLN CA 53.498 . 56.62 2.19 1.5399e-01 11362 1 1 1 1 20 GLN CB 29.018 . 29.1 1.97 9.6680e-01 11362 1 1 1 1 20 GLN CG 32.727 . 33.72 1.1 3.6667e-01 11362 1 1 1 1 20 GLN H 7.917 . 8.22 0.62 6.2505e-01 11362 1 1 1 1 20 GLN HA 4.241 . 4.28 0.44 9.2937e-01 11362 1 1 1 1 20 GLN HB2 1.099 S 2.05 0.28 6.8271e-04 11362 1 1 1 1 20 GLN HB3 -0.642 A 2.04 0.29 2.2814e-20 11362 1 1 1 1 20 GLN HG2 1.539 . 2.32 0.29 7.0790e-03 11362 1 1 1 1 20 GLN HG3 0.605 S 2.32 0.29 3.3432e-09 11362 1 1 1 1 20 GLN HE21 7.365 . 7.17 0.46 6.7163e-01 11362 1 1 1 1 20 GLN HE22 6.604 . 7.07 0.49 3.4159e-01 11362 1 1 1 1 20 GLN N 126.138 . 119.92 4.01 1.2099e-01 11362 1 1 1 1 20 GLN NE2 110.838 . 111.81 2.2 6.5862e-01 11362 1 1 1 1 47 CYS C 176.225 . 174.78 1.99 4.6776e-01 11362 1 1 1 1 47 CYS CA 66.287 A 57.43 3.41 9.3943e-03 11362 1 1 1 1 47 CYS CB 30.427 . 34.15 6.77 5.8237e-01 11362 1 1 1 1 47 CYS H 8.590 . 8.42 0.66 7.9673e-01 11362 1 1 1 1 47 CYS HA 3.402 . 4.73 0.57 1.9815e-02 11362 1 1 1 1 47 CYS HB2 2.971 . 2.95 0.43 9.6105e-01 11362 1 1 1 1 47 CYS HB3 2.678 . 2.98 0.45 5.0215e-01 11362 1 1 1 1 47 CYS N 119.633 . 119.95 4.79 9.4724e-01 11362 1 1 1 1 63 GLU C 175.589 . 176.93 2.11 5.2507e-01 11362 1 1 1 1 63 GLU CA 57.000 . 57.42 2.19 8.4791e-01 11362 1 1 1 1 63 GLU CB 30.982 . 30.07 1.84 6.2014e-01 11362 1 1 1 1 63 GLU CG 36.326 . 36.01 1.51 8.3424e-01 11362 1 1 1 1 63 GLU H 9.122 . 8.34 0.61 1.9985e-01 11362 1 1 1 1 63 GLU HA 4.259 . 4.26 0.43 9.9814e-01 11362 1 1 1 1 63 GLU HB2 1.681 . 2.04 0.22 1.0272e-01 11362 1 1 1 1 63 GLU HB3 1.948 . 2.04 0.23 6.8916e-01 11362 1 1 1 1 63 GLU HG2 2.275 . 2.31 0.21 8.6763e-01 11362 1 1 1 1 63 GLU HG3 2.275 . 2.31 0.21 8.6763e-01 11362 1 1 1 1 63 GLU N 109.765 A 120.68 3.68 3.0167e-03 11362 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 20 GLN LYS 0.3 11362 1 1 1 1 20 GLN CYS 0.29 11362 1 1 1 1 20 GLN GLN 0.24 11362 1 1 1 1 20 GLN ARG 0.12 11362 1 1 1 1 20 GLN GLU 0.02 11362 1 1 1 1 47 CYS VAL 0.45 11362 1 1 1 1 47 CYS PRO 0.24 11362 1 1 1 1 47 CYS ILE 0.22 11362 1 1 1 1 47 CYS CYS 0.05 11362 1 1 1 1 47 CYS TRP 0.01 11362 1 1 1 1 63 GLU GLU 0.43 11362 1 1 1 1 63 GLU CYS 0.42 11362 1 1 1 1 63 GLU ILE 0.05 11362 1 1 1 1 63 GLU LYS 0.05 11362 1 1 1 1 63 GLU GLN 0.03 11362 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11362 _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 11362 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11362 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11362 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11362 _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_