data_AVS_bmrb_pdb_report_30316 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30316 _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 8 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 30316 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 8 GLN C 177.939 . 176.31 1.95 4.0350e-01 30316 1 1 1 1 8 GLN CA 56.985 . 56.57 2.14 8.4623e-01 30316 1 1 1 1 8 GLN CB 30.88 . 29.19 1.82 3.5311e-01 30316 1 1 1 1 8 GLN CG 34.413 . 33.76 1.11 5.5634e-01 30316 1 1 1 1 8 GLN H 12.048 A 8.22 0.59 8.6905e-11 30316 1 1 1 1 8 GLN HA 4.287 . 4.27 0.44 9.6918e-01 30316 1 1 1 1 8 GLN HB2 2.147 . 2.05 0.25 6.9802e-01 30316 1 1 1 1 8 GLN HB3 2.034 . 2.02 0.28 9.6012e-01 30316 1 1 1 1 8 GLN HG2 2.385 . 2.32 0.27 8.0976e-01 30316 1 1 1 1 8 GLN HE21 6.67 . 7.24 0.45 2.0527e-01 30316 1 1 1 1 8 GLN HE22 7.645 . 7.02 0.44 1.5548e-01 30316 1 1 1 1 8 GLN N 126.879 . 119.89 3.6 5.2211e-02 30316 1 1 1 1 8 GLN NE2 112.843 . 111.87 1.72 5.7160e-01 30316 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 8 GLN CYS 0.36 30316 1 1 1 1 8 GLN GLN 0.3 30316 1 1 1 1 8 GLN GLU 0.21 30316 1 1 1 1 8 GLN LYS 0.1 30316 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30316 _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 30316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30316 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30316 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30316 _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_