data_AVS_bmrb_pdb_report_4981 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4981 _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 4981 1 1 1 1 24 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4981 1 1 1 1 58 ASP Anomalous Consistent Consistent Anomalous Consistent Suspicious . . 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 4981 1 1 1 1 24 GLN C 175.53 . 176.39 1.96 6.6082e-01 4981 1 1 1 1 24 GLN CA 56.87 . 56.62 2.19 9.0911e-01 4981 1 1 1 1 24 GLN CB 26.08 . 29.1 1.97 1.2528e-01 4981 1 1 1 1 24 GLN CG 32.59 . 33.72 1.1 3.0429e-01 4981 1 1 1 1 24 GLN CD 181.31 M 179.68 1.17 1.6357e-01 4981 1 1 1 1 24 GLN H 9.83 . 8.22 0.62 9.4104e-03 4981 1 1 1 1 24 GLN HA 4.15 . 4.28 0.44 7.6765e-01 4981 1 1 1 1 24 GLN HB2 2.13 . 2.05 0.28 7.7510e-01 4981 1 1 1 1 24 GLN HB3 2.38 . 2.04 0.29 2.4103e-01 4981 1 1 1 1 24 GLN HG2 2.85 . 2.32 0.29 6.7612e-02 4981 1 1 1 1 24 GLN HG3 2.19 . 2.32 0.29 6.5395e-01 4981 1 1 1 1 24 GLN HE21 8.06 . 7.17 0.46 5.3017e-02 4981 1 1 1 1 24 GLN HE22 7.20 . 7.07 0.49 7.9077e-01 4981 1 1 1 1 24 GLN N 119.74 . 119.92 4.01 9.6420e-01 4981 1 1 1 1 24 GLN NE2 113.22 . 111.81 2.2 5.2158e-01 4981 1 1 1 1 58 ASP C 176.77 . 176.41 1.77 8.3883e-01 4981 1 1 1 1 58 ASP CA 54.68 . 54.52 2.1 9.3927e-01 4981 1 1 1 1 58 ASP CB 40.76 . 40.7 1.67 9.7134e-01 4981 1 1 1 1 58 ASP H 12.40 M 8.33 0.57 9.3093e-13 4981 1 1 1 1 58 ASP HA 4.54 . 4.61 0.31 8.2135e-01 4981 1 1 1 1 58 ASP HB2 2.36 . 2.74 0.29 1.9008e-01 4981 1 1 1 1 58 ASP HB3 3.04 . 2.7 0.29 2.4103e-01 4981 1 1 1 1 58 ASP N 135.53 S 120.73 4.2 4.2539e-04 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 4981 1 1 1 1 24 GLN CYS 0.76 4981 1 1 1 1 24 GLN GLN 0.2 4981 1 1 1 1 24 GLN GLU 0.03 4981 1 1 1 1 58 ASP ASP 0.27 4981 1 1 1 1 58 ASP LEU 0.16 4981 1 1 1 1 58 ASP CYS 0.12 4981 1 1 1 1 58 ASP ASN 0.11 4981 1 1 1 1 58 ASP PHE 0.1 4981 1 1 1 1 58 ASP LYS 0.09 4981 1 1 1 1 58 ASP TYR 0.09 4981 1 1 1 1 58 ASP ARG 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4981 _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 4981 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 4981 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4981 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4981 _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_