data_AVS_bmrb_pdb_report_16210 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16210 _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 Suspicious . . 16210 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 16210 1 1 1 3 3 MET UNSUPPORTED . . . . . . . 16210 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 176.280 . 176.39 1.96 9.5524e-01 16210 1 1 1 1 20 GLN CA 53.251 . 56.62 2.19 1.2396e-01 16210 1 1 1 1 20 GLN CB 28.640 . 29.1 1.97 8.1537e-01 16210 1 1 1 1 20 GLN CG 32.150 . 33.72 1.1 1.5350e-01 16210 1 1 1 1 20 GLN H 8.359 . 8.22 0.62 8.2261e-01 16210 1 1 1 1 20 GLN HA 4.728 . 4.28 0.44 3.0859e-01 16210 1 1 1 1 20 GLN HB2 1.182 . 2.05 0.28 1.9352e-03 16210 1 1 1 1 20 GLN HB3 -0.992 A 2.04 0.29 1.3875e-25 16210 1 1 1 1 20 GLN HG2 1.732 . 2.32 0.29 4.2603e-02 16210 1 1 1 1 20 GLN HG3 0.500 S 2.32 0.29 3.4770e-10 16210 1 1 1 1 20 GLN HE21 5.969 . 7.17 0.46 9.0312e-03 16210 1 1 1 1 20 GLN HE22 6.871 . 7.07 0.49 6.8465e-01 16210 1 1 1 1 20 GLN N 132.425 . 119.92 4.01 1.8180e-03 16210 1 1 1 1 20 GLN NE2 104.074 S 111.81 2.2 4.3750e-04 16210 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 CYS 0.28 16210 1 1 1 1 20 GLN LYS 0.27 16210 1 1 1 1 20 GLN ARG 0.18 16210 1 1 1 1 20 GLN GLN 0.13 16210 1 1 1 1 20 GLN MET 0.09 16210 1 1 1 1 20 GLN PRO 0.01 16210 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16210 _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 16210 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16210 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16210 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16210 _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_