data_AVS_bmrb_pdb_report_7208 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7208 _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 7208 1 1 1 1 27 THR Anomalous Consistent Consistent Duplicate Anomalous Duplicate . . 7208 1 1 1 1 33 TYR Anomalous Suspicious Consistent Duplicate Anomalous Duplicate . . 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 7208 1 1 1 1 27 THR C 175.298 . 174.6 1.8 6.9818e-01 7208 1 1 1 1 27 THR CA 69.225 M 62.15 2.72 9.2925e-03 7208 1 1 1 1 27 THR CB 67.955 D 69.64 1.7 3.2160e-01 7208 1 1 1 1 27 THR CG2 21.610 D 21.44 1.39 9.0266e-01 7208 1 1 1 1 27 THR H 7.903 D 8.27 0.62 5.5389e-01 7208 1 1 1 1 27 THR HA 3.737 D 4.48 0.5 1.3728e-01 7208 1 1 1 1 27 THR HB 4.322 D 4.17 0.37 6.8121e-01 7208 1 1 1 1 27 THR HG1 4.914 D 4.4 1.92 7.8892e-01 7208 1 1 1 1 27 THR HG2 1.113 D 1.16 0.28 8.6670e-01 7208 1 1 1 1 27 THR N 114.653 D 115.7 5.05 8.3575e-01 7208 1 1 1 1 33 TYR C 176.634 . 175.39 1.89 5.1041e-01 7208 1 1 1 1 33 TYR CA 61.624 D 58.02 2.64 1.7221e-01 7208 1 1 1 1 33 TYR CB 39.055 D 39.16 2.23 9.6245e-01 7208 1 1 1 1 33 TYR CD1 118.058 M 132.54 1.35 7.5690e-27 7208 1 1 1 1 33 TYR H 8.244 D 8.37 0.75 8.6658e-01 7208 1 1 1 1 33 TYR HA 4.164 D 4.63 0.56 4.0533e-01 7208 1 1 1 1 33 TYR HB2 3.184 D 2.91 0.37 4.5897e-01 7208 1 1 1 1 33 TYR HB3 3.074 D 2.91 0.37 6.5759e-01 7208 1 1 1 1 33 TYR HD1 7.046 D 6.87 0.65 7.8657e-01 7208 1 1 1 1 33 TYR HD2 7.046 D 6.86 0.68 7.8445e-01 7208 1 1 1 1 33 TYR HE1 6.751 D 6.64 0.58 8.4823e-01 7208 1 1 1 1 33 TYR HE2 6.751 . 6.63 0.61 8.4276e-01 7208 1 1 1 1 33 TYR N 117.630 D 120.79 4.69 5.0046e-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 7208 1 1 1 1 27 THR THR 0.99 7208 1 1 1 1 33 TYR HIS 0.8 7208 1 1 1 1 33 TYR GLY 0.19 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7208 _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 7208 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 7208 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7208 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7208 _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_