data_AVS_bmrb_pdb_report_5866 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5866 _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 5866 1 1 1 1 45 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5866 1 1 1 1 68 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 5866 1 1 1 1 45 THR CA 59.50 . 62.15 2.72 3.2993e-01 5866 1 1 1 1 45 THR CB 80.22 M 69.64 1.7 4.8609e-10 5866 1 1 1 1 45 THR H 8.24 . 8.27 0.62 9.6141e-01 5866 1 1 1 1 45 THR HA 4.66 . 4.48 0.5 7.1885e-01 5866 1 1 1 1 45 THR HB 3.70 . 4.17 0.37 2.0399e-01 5866 1 1 1 1 45 THR HG2 2.04 . 1.16 0.28 1.6731e-03 5866 1 1 1 1 45 THR N 114.9 . 115.7 5.05 8.7413e-01 5866 1 1 1 1 68 PHE CA 59.88 . 58.25 2.73 5.5046e-01 5866 1 1 1 1 68 PHE CB 42.5 . 39.95 2.04 2.1130e-01 5866 1 1 1 1 68 PHE H 9.54 . 8.42 0.74 1.3015e-01 5866 1 1 1 1 68 PHE HA 4.53 . 4.62 0.58 8.7669e-01 5866 1 1 1 1 68 PHE HB2 3.06 . 2.99 0.37 8.4994e-01 5866 1 1 1 1 68 PHE HB3 2.67 . 2.97 0.38 4.2984e-01 5866 1 1 1 1 68 PHE HD1 7.04 . 6.91 0.82 8.7403e-01 5866 1 1 1 1 68 PHE HD2 7.04 . 6.89 0.86 8.6154e-01 5866 1 1 1 1 68 PHE HE1 7.31 . 6.95 0.82 6.6064e-01 5866 1 1 1 1 68 PHE HE2 7.31 . 6.94 0.86 6.6703e-01 5866 1 1 1 1 68 PHE HZ 6.87 . 6.92 0.8 9.5016e-01 5866 1 1 1 1 68 PHE N 135.4 M 120.69 4.18 4.3295e-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 5866 1 1 1 1 45 THR THR 0.99 5866 1 1 1 1 68 PHE ARG 0.23 5866 1 1 1 1 68 PHE PHE 0.22 5866 1 1 1 1 68 PHE LYS 0.17 5866 1 1 1 1 68 PHE TYR 0.14 5866 1 1 1 1 68 PHE LEU 0.09 5866 1 1 1 1 68 PHE ILE 0.08 5866 1 1 1 1 68 PHE GLY 0.02 5866 1 1 1 1 68 PHE ASP 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5866 _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 5866 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 5866 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5866 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5866 _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_