data_AVS_bmrb_pdb_report_15347 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15347 _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 30 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15347 1 1 1 1 75 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15347 1 1 1 1 88 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15347 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 30 HIS C 171.1 . 175.19 2.14 5.5977e-02 15347 1 1 1 1 30 HIS CA 54.9 . 56.37 2.4 5.4021e-01 15347 1 1 1 1 30 HIS CB 35.2 . 29.95 2.15 1.4612e-02 15347 1 1 1 1 30 HIS CD2 116.8 . 119.84 3.3 3.5694e-01 15347 1 1 1 1 30 HIS CE1 139.5 . 136.05 3.58 3.3520e-01 15347 1 1 1 1 30 HIS H 9.12 . 8.25 0.74 2.3972e-01 15347 1 1 1 1 30 HIS HA 4.71 . 4.62 0.51 8.5992e-01 15347 1 1 1 1 30 HIS HB2 2.56 . 3.12 0.43 1.9280e-01 15347 1 1 1 1 30 HIS HB3 3.19 . 3.11 0.45 8.5890e-01 15347 1 1 1 1 30 HIS HD2 6.73 . 7.08 0.5 4.8393e-01 15347 1 1 1 1 30 HIS HE1 7.47 . 8.08 0.57 2.8454e-01 15347 1 1 1 1 30 HIS N 119.8 . 119.44 4.52 9.3652e-01 15347 1 1 1 1 30 HIS ND1 250.7 A 190.74 22.84 8.6593e-03 15347 1 1 1 1 30 HIS NE2 165.0 . 179.81 13.86 2.8528e-01 15347 1 1 1 1 75 LYS C 177.5 . 176.46 2.05 6.1193e-01 15347 1 1 1 1 75 LYS CA 55.2 . 56.84 2.25 4.6607e-01 15347 1 1 1 1 75 LYS CB 33.8 . 32.83 1.88 6.0588e-01 15347 1 1 1 1 75 LYS CG 24.2 . 24.91 1.31 5.8783e-01 15347 1 1 1 1 75 LYS CD 28.4 . 28.78 1.39 7.8456e-01 15347 1 1 1 1 75 LYS CE 42.1 . 41.78 0.98 7.4402e-01 15347 1 1 1 1 75 LYS H 12.46 A 8.22 0.64 3.4725e-11 15347 1 1 1 1 75 LYS HA 4.46 . 4.28 0.45 6.8916e-01 15347 1 1 1 1 75 LYS HB2 1.49 . 1.79 0.25 2.3014e-01 15347 1 1 1 1 75 LYS HB3 1.78 . 1.78 0.26 1.0000e+00 15347 1 1 1 1 75 LYS HG2 1.39 . 1.38 0.27 9.7046e-01 15347 1 1 1 1 75 LYS HG3 1.41 . 1.37 0.29 8.9030e-01 15347 1 1 1 1 75 LYS HD2 1.50 . 1.61 0.25 6.5994e-01 15347 1 1 1 1 75 LYS HD3 1.53 . 1.61 0.25 7.4897e-01 15347 1 1 1 1 75 LYS HE2 2.82 . 2.93 0.2 5.8232e-01 15347 1 1 1 1 75 LYS HE3 2.84 . 2.93 0.2 6.5271e-01 15347 1 1 1 1 75 LYS N 129.8 . 121.16 4.11 3.5537e-02 15347 1 1 1 1 88 HIS C 175.1 . 175.19 2.14 9.6645e-01 15347 1 1 1 1 88 HIS CA 59.8 . 56.37 2.4 1.5296e-01 15347 1 1 1 1 88 HIS CB 28.4 . 29.95 2.15 4.7095e-01 15347 1 1 1 1 88 HIS CD2 129.3 . 119.84 3.3 4.1482e-03 15347 1 1 1 1 88 HIS CE1 137.7 . 136.05 3.58 6.4487e-01 15347 1 1 1 1 88 HIS H 8.97 . 8.25 0.74 3.3057e-01 15347 1 1 1 1 88 HIS HA 4.28 . 4.62 0.51 5.0499e-01 15347 1 1 1 1 88 HIS HB2 3.23 . 3.12 0.43 7.9809e-01 15347 1 1 1 1 88 HIS HB3 3.43 . 3.11 0.45 4.7702e-01 15347 1 1 1 1 88 HIS HD1 10.75 . 10.14 3.5 8.6164e-01 15347 1 1 1 1 88 HIS HD2 7.63 . 7.08 0.5 2.7133e-01 15347 1 1 1 1 88 HIS HE1 7.62 . 8.08 0.57 4.1966e-01 15347 1 1 1 1 88 HIS N 126.4 . 119.44 4.52 1.2360e-01 15347 1 1 1 1 88 HIS ND1 167.3 . 190.74 22.84 3.0476e-01 15347 1 1 1 1 88 HIS NE2 250.2 A 179.81 13.86 3.8014e-07 15347 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 30 HIS CYS 0.89 15347 1 1 1 1 30 HIS HIS 0.1 15347 1 1 1 1 75 LYS LYS 0.44 15347 1 1 1 1 75 LYS CYS 0.38 15347 1 1 1 1 75 LYS ARG 0.13 15347 1 1 1 1 75 LYS MET 0.02 15347 1 1 1 1 75 LYS GLY 0.01 15347 1 1 1 1 88 HIS CYS 0.95 15347 1 1 1 1 88 HIS HIS 0.04 15347 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15347 _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.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 15347 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15347 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15347 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15347 _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_