data_AVS_bmrb_pdb_report_5907 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5907 _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 5907 1 1 1 1 25 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5907 1 1 1 1 112 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 5907 1 1 1 1 25 GLU C 177.19 . 176.93 2.11 9.0193e-01 5907 1 1 1 1 25 GLU CA 57.58 . 57.42 2.19 9.4176e-01 5907 1 1 1 1 25 GLU CB 30.75 . 30.07 1.84 7.1171e-01 5907 1 1 1 1 25 GLU CG 36.75 . 36.01 1.51 6.2409e-01 5907 1 1 1 1 25 GLU H 8.29 . 8.34 0.61 9.3467e-01 5907 1 1 1 1 25 GLU HA 4.22 . 4.26 0.43 9.2589e-01 5907 1 1 1 1 25 GLU HB2 2.00 . 2.04 0.22 8.5573e-01 5907 1 1 1 1 25 GLU HB3 2.28 . 2.04 0.23 2.9673e-01 5907 1 1 1 1 25 GLU HG2 0.00 M 2.31 0.21 3.8213e-28 5907 1 1 1 1 25 GLU HG3 0.00 M 2.31 0.21 3.8213e-28 5907 1 1 1 1 25 GLU N 119.98 . 120.68 3.68 8.4914e-01 5907 1 1 1 1 112 GLN C 176.82 . 176.39 1.96 8.2635e-01 5907 1 1 1 1 112 GLN CA 57.11 . 56.62 2.19 8.2296e-01 5907 1 1 1 1 112 GLN CB 26.51 . 29.1 1.97 1.8860e-01 5907 1 1 1 1 112 GLN CG 34.87 . 33.72 1.1 2.9581e-01 5907 1 1 1 1 112 GLN CD 181.40 M 179.68 1.17 1.4154e-01 5907 1 1 1 1 112 GLN H 7.75 . 8.22 0.62 4.4841e-01 5907 1 1 1 1 112 GLN HA 3.99 . 4.28 0.44 5.0984e-01 5907 1 1 1 1 112 GLN HB2 2.30 . 2.05 0.28 3.7193e-01 5907 1 1 1 1 112 GLN HB3 2.39 . 2.04 0.29 2.2747e-01 5907 1 1 1 1 112 GLN HG2 2.35 . 2.32 0.29 9.1761e-01 5907 1 1 1 1 112 GLN HG3 2.35 . 2.32 0.29 9.1761e-01 5907 1 1 1 1 112 GLN HE21 7.68 . 7.17 0.46 2.6756e-01 5907 1 1 1 1 112 GLN HE22 6.84 . 7.07 0.49 6.3879e-01 5907 1 1 1 1 112 GLN N 115.41 . 119.92 4.01 2.6072e-01 5907 1 1 1 1 112 GLN NE2 113.16 . 111.81 2.2 5.3946e-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 5907 1 1 1 1 25 GLU GLU 0.38 5907 1 1 1 1 25 GLU CYS 0.37 5907 1 1 1 1 25 GLU MET 0.09 5907 1 1 1 1 25 GLU ILE 0.08 5907 1 1 1 1 25 GLU LYS 0.03 5907 1 1 1 1 25 GLU GLN 0.01 5907 1 1 1 1 112 GLN CYS 0.6 5907 1 1 1 1 112 GLN GLU 0.21 5907 1 1 1 1 112 GLN GLN 0.17 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5907 _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 5907 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 5907 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5907 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5907 _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_