data_AVS_bmrb_pdb_report_6749 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6749 _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 6749 1 1 1 1 21 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6749 1 1 1 1 45 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 6749 1 1 1 1 21 PHE C 177.301 . 175.49 2.13 3.9519e-01 6749 1 1 1 1 21 PHE CA 57.342 . 58.25 2.73 7.3944e-01 6749 1 1 1 1 21 PHE CB 38.25 . 39.95 2.04 4.0466e-01 6749 1 1 1 1 21 PHE CE1 131.7 . 130.48 1.29 3.4428e-01 6749 1 1 1 1 21 PHE CZ 128.757 . 129.11 1.68 8.3357e-01 6749 1 1 1 1 21 PHE H 7.285 . 8.42 0.74 1.2508e-01 6749 1 1 1 1 21 PHE HA 4.899 . 4.62 0.58 6.3049e-01 6749 1 1 1 1 21 PHE HB2 2.472 . 2.99 0.37 1.6151e-01 6749 1 1 1 1 21 PHE HB3 4.033 M 2.97 0.38 5.1521e-03 6749 1 1 1 1 21 PHE HD1 7.317 . 6.91 0.82 6.1965e-01 6749 1 1 1 1 21 PHE HE1 6.858 . 6.95 0.82 9.1067e-01 6749 1 1 1 1 21 PHE HZ 6.472 . 6.92 0.8 5.7548e-01 6749 1 1 1 1 21 PHE N 112.941 . 120.69 4.18 6.3764e-02 6749 1 1 1 1 45 THR C 173.978 . 174.6 1.8 7.2968e-01 6749 1 1 1 1 45 THR CA 69.703 M 62.15 2.72 5.4890e-03 6749 1 1 1 1 45 THR CB 65.273 . 69.64 1.7 1.0204e-02 6749 1 1 1 1 45 THR CG2 22.494 . 21.44 1.39 4.4829e-01 6749 1 1 1 1 45 THR H 8.794 . 8.27 0.62 3.9802e-01 6749 1 1 1 1 45 THR HA 3.759 . 4.48 0.5 1.4930e-01 6749 1 1 1 1 45 THR HB 4.11 . 4.17 0.37 8.7118e-01 6749 1 1 1 1 45 THR HG2 0.69 . 1.16 0.28 9.3236e-02 6749 1 1 1 1 45 THR N 115.536 . 115.7 5.05 9.7409e-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 6749 1 1 1 1 21 PHE TYR 0.55 6749 1 1 1 1 21 PHE PHE 0.44 6749 1 1 1 1 45 THR THR 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6749 _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 6749 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 6749 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6749 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6749 _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_