data_AVS_bmrb_pdb_report_4080 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4080 _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 4080 1 1 1 1 51 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4080 1 1 1 1 85 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4080 1 1 1 1 162 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 4080 1 1 1 1 51 GLN CB 30.5 . 29.1 1.97 4.7730e-01 4080 1 1 1 1 51 GLN CG 33.1 . 33.72 1.1 5.7300e-01 4080 1 1 1 1 51 GLN CD 182.6 M 179.68 1.17 1.2570e-02 4080 1 1 1 1 51 GLN HB2 2.15 . 2.05 0.28 7.2098e-01 4080 1 1 1 1 51 GLN HB3 1.66 . 2.04 0.29 1.9008e-01 4080 1 1 1 1 51 GLN HG2 2.23 . 2.32 0.29 7.5630e-01 4080 1 1 1 1 51 GLN HG3 2.23 . 2.32 0.29 7.5630e-01 4080 1 1 1 1 51 GLN HE21 7.18 . 7.17 0.46 9.8266e-01 4080 1 1 1 1 51 GLN HE22 6.65 . 7.07 0.49 3.9137e-01 4080 1 1 1 1 51 GLN NE2 112.52 . 111.81 2.2 7.4690e-01 4080 1 1 1 1 85 GLN CB 28.7 . 29.1 1.97 8.3910e-01 4080 1 1 1 1 85 GLN CG 34.3 . 33.72 1.1 5.9800e-01 4080 1 1 1 1 85 GLN CD 182.0 M 179.68 1.17 4.7378e-02 4080 1 1 1 1 85 GLN HB2 2.17 . 2.05 0.28 6.6823e-01 4080 1 1 1 1 85 GLN HB3 2.17 . 2.04 0.29 6.5395e-01 4080 1 1 1 1 85 GLN HG2 2.44 . 2.32 0.29 6.7903e-01 4080 1 1 1 1 85 GLN HG3 2.36 . 2.32 0.29 8.9030e-01 4080 1 1 1 1 85 GLN HE21 7.24 . 7.17 0.46 8.7905e-01 4080 1 1 1 1 85 GLN HE22 6.50 . 7.07 0.49 2.4472e-01 4080 1 1 1 1 85 GLN NE2 112.0 . 111.81 2.2 9.3118e-01 4080 1 1 1 1 162 GLN CB 30.9 . 29.1 1.97 3.6087e-01 4080 1 1 1 1 162 GLN CG 34.7 . 33.72 1.1 3.7298e-01 4080 1 1 1 1 162 GLN CD 181.6 M 179.68 1.17 1.0079e-01 4080 1 1 1 1 162 GLN HB2 2.11 . 2.05 0.28 8.3032e-01 4080 1 1 1 1 162 GLN HB3 1.93 . 2.04 0.29 7.0446e-01 4080 1 1 1 1 162 GLN HG2 2.31 . 2.32 0.29 9.7249e-01 4080 1 1 1 1 162 GLN HG3 2.31 . 2.32 0.29 9.7249e-01 4080 1 1 1 1 162 GLN HE21 7.52 . 7.17 0.46 4.4674e-01 4080 1 1 1 1 162 GLN HE22 6.88 . 7.07 0.49 6.9820e-01 4080 1 1 1 1 162 GLN NE2 112.5 . 111.81 2.2 7.5380e-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 4080 1 1 1 1 51 GLN GLU 0.79 4080 1 1 1 1 51 GLN GLN 0.2 4080 1 1 1 1 85 GLN GLU 0.72 4080 1 1 1 1 85 GLN GLN 0.27 4080 1 1 1 1 162 GLN GLU 0.77 4080 1 1 1 1 162 GLN GLN 0.22 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4080 _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 4080 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 4080 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4080 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4080 _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_