data_AVS_bmrb_pdb_report_6130 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6130 _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 6130 1 1 1 1 51 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 6130 1 1 1 1 66 PHE 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 6130 1 1 1 1 51 LEU C 173.03 . 176.97 2.09 5.9407e-02 6130 1 1 1 1 51 LEU CA 52.46 . 55.65 2.21 1.4890e-01 6130 1 1 1 1 51 LEU CB 42.88 . 42.37 1.86 7.8394e-01 6130 1 1 1 1 51 LEU CG 20.30 M 26.77 1.25 2.2669e-07 6130 1 1 1 1 51 LEU CD1 22.89 . 24.73 1.71 2.8192e-01 6130 1 1 1 1 51 LEU CD2 23.53 . 24.1 1.78 7.4880e-01 6130 1 1 1 1 51 LEU H 7.554 . 8.22 0.65 3.0554e-01 6130 1 1 1 1 51 LEU HA 4.304 . 4.32 0.47 9.7284e-01 6130 1 1 1 1 51 LEU HB2 1.091 . 1.63 0.34 1.1290e-01 6130 1 1 1 1 51 LEU HB3 1.534 . 1.57 0.36 9.2034e-01 6130 1 1 1 1 51 LEU HG 0.652 . 1.54 0.33 7.1258e-03 6130 1 1 1 1 51 LEU HD1 0.670 . 0.77 0.27 7.1111e-01 6130 1 1 1 1 51 LEU HD2 0.309 . 0.76 0.28 1.0724e-01 6130 1 1 1 1 51 LEU N 119.51 . 121.98 4.07 5.4393e-01 6130 1 1 1 1 66 PHE C 168.98 M 175.49 2.13 2.2406e-03 6130 1 1 1 1 66 PHE CA 52.04 . 58.25 2.73 2.2922e-02 6130 1 1 1 1 66 PHE CB 37.68 . 39.95 2.04 2.6582e-01 6130 1 1 1 1 66 PHE H 6.667 . 8.42 0.74 1.7840e-02 6130 1 1 1 1 66 PHE HA 5.056 . 4.62 0.58 4.5222e-01 6130 1 1 1 1 66 PHE HB2 2.557 . 2.99 0.37 2.4189e-01 6130 1 1 1 1 66 PHE HB3 3.246 . 2.97 0.38 4.6765e-01 6130 1 1 1 1 66 PHE HD1 7.174 . 6.91 0.82 7.4749e-01 6130 1 1 1 1 66 PHE HD2 7.174 . 6.89 0.86 7.4122e-01 6130 1 1 1 1 66 PHE HE1 7.148 . 6.95 0.82 8.0920e-01 6130 1 1 1 1 66 PHE HE2 7.148 . 6.94 0.86 8.0889e-01 6130 1 1 1 1 66 PHE N 120.44 . 120.69 4.18 9.5231e-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 6130 1 1 1 1 51 LEU ALA 0.75 6130 1 1 1 1 51 LEU CYS 0.15 6130 1 1 1 1 51 LEU GLY 0.08 6130 1 1 1 1 66 PHE ASN 0.56 6130 1 1 1 1 66 PHE CYS 0.21 6130 1 1 1 1 66 PHE ASP 0.08 6130 1 1 1 1 66 PHE TYR 0.05 6130 1 1 1 1 66 PHE PHE 0.03 6130 1 1 1 1 66 PHE GLU 0.02 6130 1 1 1 1 66 PHE MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6130 _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 6130 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 6130 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6130 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6130 _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_