data_AVS_bmrb_pdb_report_6026 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6026 _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 49 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6026 1 1 1 1 51 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6026 1 1 1 1 54 THR Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6026 1 1 1 1 56 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6026 1 1 1 2 1 FES UNSUPPORTED . . . . . . . 6026 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 49 THR C 173.1 . 174.54 1.76 4.1325e-01 6026 1 1 1 1 49 THR CA 60.8 . 62.22 2.59 5.8351e-01 6026 1 1 1 1 49 THR CB 69.0 . 69.73 1.63 6.5426e-01 6026 1 1 1 1 49 THR CG2 21.7 . 21.55 1.11 8.9251e-01 6026 1 1 1 1 49 THR HB 4.57 . 4.17 0.33 2.2547e-01 6026 1 1 1 1 49 THR HG21 1.12 . 1.14 0.23 9.3071e-01 6026 1 1 1 1 49 THR HG22 1.12 . 1.14 0.23 9.3071e-01 6026 1 1 1 1 49 THR HG23 1.12 . 1.14 0.23 9.3071e-01 6026 1 1 1 1 49 THR N 139.0 A 115.42 4.75 6.8981e-07 6026 1 1 1 1 51 ALA C 180.0 . 177.74 2.13 2.8868e-01 6026 1 1 1 1 51 ALA CA 56.1 . 53.14 1.98 1.3493e-01 6026 1 1 1 1 51 ALA CB 22.7 . 19.01 1.83 4.3759e-02 6026 1 1 1 1 51 ALA HA 4.24 . 4.26 0.44 9.6375e-01 6026 1 1 1 1 51 ALA HB1 1.59 . 1.35 0.26 3.5597e-01 6026 1 1 1 1 51 ALA HB2 1.59 . 1.35 0.26 3.5597e-01 6026 1 1 1 1 51 ALA HB3 1.59 . 1.35 0.26 3.5597e-01 6026 1 1 1 1 51 ALA N 148.4 A 123.23 3.54 1.1590e-12 6026 1 1 1 1 54 THR C 176.1 . 174.54 1.76 3.7542e-01 6026 1 1 1 1 54 THR CA 64.4 . 62.22 2.59 3.9996e-01 6026 1 1 1 1 54 THR CB 69.7 . 69.73 1.63 9.8532e-01 6026 1 1 1 1 54 THR CG2 24.5 . 21.55 1.11 7.8686e-03 6026 1 1 1 1 54 THR HA 4.70 . 4.46 0.48 6.1707e-01 6026 1 1 1 1 54 THR HB 5.88 S 4.17 0.33 2.1973e-07 6026 1 1 1 1 54 THR HG21 1.79 . 1.14 0.23 4.7120e-03 6026 1 1 1 1 54 THR HG22 1.79 . 1.14 0.23 4.7120e-03 6026 1 1 1 1 54 THR HG23 1.79 . 1.14 0.23 4.7120e-03 6026 1 1 1 1 54 THR N 164.0 A 115.42 4.75 1.4953e-24 6026 1 1 1 1 56 HIS C 173.6 . 175.25 1.97 4.0228e-01 6026 1 1 1 1 56 HIS CA 54.9 . 56.52 2.31 4.8312e-01 6026 1 1 1 1 56 HIS CB 30.5 . 30.24 2.07 9.0005e-01 6026 1 1 1 1 56 HIS CG 127.1 . 131.52 3.27 1.7648e-01 6026 1 1 1 1 56 HIS CD2 127.2 . 120.49 3.42 4.9764e-02 6026 1 1 1 1 56 HIS CE1 137.8 . 137.71 2.12 9.6614e-01 6026 1 1 1 1 56 HIS HA 4.95 . 4.61 0.43 4.2912e-01 6026 1 1 1 1 56 HIS HB2 3.23 . 3.1 0.36 7.1802e-01 6026 1 1 1 1 56 HIS HB3 3.23 . 3.04 0.38 6.1707e-01 6026 1 1 1 1 56 HIS HD1 11.90 . 8.68 2.62 2.1907e-01 6026 1 1 1 1 56 HIS HD2 7.07 . 7 0.43 8.7068e-01 6026 1 1 1 1 56 HIS HE1 7.51 . 7.95 0.48 3.5932e-01 6026 1 1 1 1 56 HIS ND1 169.6 . 195.02 18.51 1.6966e-01 6026 1 1 1 1 56 HIS NE2 238.2 A 182.41 14.4 1.0693e-04 6026 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 49 THR THR 0.85 6026 1 1 1 1 49 THR CYS 0.14 6026 1 1 1 1 51 ALA LEU 0.58 6026 1 1 1 1 51 ALA CYS 0.17 6026 1 1 1 1 51 ALA LYS 0.11 6026 1 1 1 1 51 ALA VAL 0.04 6026 1 1 1 1 51 ALA ALA 0.03 6026 1 1 1 1 51 ALA THR 0.02 6026 1 1 1 1 54 THR CYS 0.6 6026 1 1 1 1 54 THR THR 0.39 6026 1 1 1 1 56 HIS CYS 0.66 6026 1 1 1 1 56 HIS HIS 0.33 6026 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6026 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 6026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6026 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6026 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6026 _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_