data_AVS_bmrb_pdb_report_15046 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15046 _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 15046 1 1 1 1 80 GLN Anomalous Consistent Consistent Consistent Anomalous 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 15046 1 1 1 1 80 GLN C 169.300 M 176.39 1.96 2.9764e-04 15046 1 1 1 1 80 GLN CA 50.750 . 56.62 2.19 7.3542e-03 15046 1 1 1 1 80 GLN CB 27.080 . 29.1 1.97 3.0518e-01 15046 1 1 1 1 80 GLN CG 31.180 . 33.72 1.1 2.0939e-02 15046 1 1 1 1 80 GLN H 7.486 . 8.22 0.62 2.3646e-01 15046 1 1 1 1 80 GLN HA 4.505 . 4.28 0.44 6.0910e-01 15046 1 1 1 1 80 GLN HB2 1.860 . 2.05 0.28 4.9741e-01 15046 1 1 1 1 80 GLN HB3 1.972 . 2.04 0.29 8.1461e-01 15046 1 1 1 1 80 GLN HG2 2.162 . 2.32 0.29 5.8587e-01 15046 1 1 1 1 80 GLN HG3 2.107 . 2.32 0.29 4.6265e-01 15046 1 1 1 1 80 GLN HE21 7.582 . 7.17 0.46 3.7044e-01 15046 1 1 1 1 80 GLN HE22 6.835 . 7.07 0.49 6.3152e-01 15046 1 1 1 1 80 GLN N 121.200 . 119.92 4.01 7.4957e-01 15046 1 1 1 1 80 GLN NE2 113.200 . 111.81 2.2 5.2751e-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 15046 1 1 1 1 80 GLN PRO 0.89 15046 1 1 1 1 80 GLN ARG 0.07 15046 1 1 1 1 80 GLN LYS 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15046 _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 15046 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 15046 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15046 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15046 _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_