data_AVS_bmrb_pdb_report_5165 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5165 _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 5165 1 1 1 1 80 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5165 1 1 1 1 96 LEU 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 5165 1 1 1 1 80 PHE C 172.624 . 175.49 2.13 1.7845e-01 5165 1 1 1 1 80 PHE CA 56.350 . 58.25 2.73 4.8645e-01 5165 1 1 1 1 80 PHE CB 44.168 . 39.95 2.04 3.8673e-02 5165 1 1 1 1 80 PHE CD1 131.965 . 131.38 1.38 6.7163e-01 5165 1 1 1 1 80 PHE H 5.211 M 8.42 0.74 1.4478e-05 5165 1 1 1 1 80 PHE HA 4.791 . 4.62 0.58 7.6813e-01 5165 1 1 1 1 80 PHE HB2 2.466 . 2.99 0.37 1.5671e-01 5165 1 1 1 1 80 PHE HB3 1.238 S 2.97 0.38 5.1669e-06 5165 1 1 1 1 80 PHE HD1 6.549 . 6.91 0.82 6.5976e-01 5165 1 1 1 1 80 PHE HE1 6.726 . 6.95 0.82 7.8472e-01 5165 1 1 1 1 80 PHE HZ 6.942 . 6.92 0.8 9.7806e-01 5165 1 1 1 1 80 PHE N 116.216 . 120.69 4.18 2.8447e-01 5165 1 1 1 1 96 LEU C 175.416 . 176.97 2.09 4.5715e-01 5165 1 1 1 1 96 LEU CA 54.174 . 55.65 2.21 5.0421e-01 5165 1 1 1 1 96 LEU CB 45.706 . 42.37 1.86 7.2885e-02 5165 1 1 1 1 96 LEU CG 27.476 . 26.77 1.25 5.7221e-01 5165 1 1 1 1 96 LEU CD1 25.259 . 24.73 1.71 7.5705e-01 5165 1 1 1 1 96 LEU CD2 29.083 M 24.1 1.78 5.1192e-03 5165 1 1 1 1 96 LEU H 9.480 . 8.22 0.65 5.2567e-02 5165 1 1 1 1 96 LEU HA 5.144 . 4.32 0.47 7.9569e-02 5165 1 1 1 1 96 LEU HB2 1.590 . 1.63 0.34 9.0635e-01 5165 1 1 1 1 96 LEU HB3 1.388 . 1.57 0.36 6.1317e-01 5165 1 1 1 1 96 LEU HG 1.145 . 1.54 0.33 2.3132e-01 5165 1 1 1 1 96 LEU HD1 0.543 . 0.77 0.27 4.0049e-01 5165 1 1 1 1 96 LEU HD2 0.324 . 0.76 0.28 1.1944e-01 5165 1 1 1 1 96 LEU N 129.211 . 121.98 4.07 7.5625e-02 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 5165 1 1 1 1 80 PHE GLY 0.56 5165 1 1 1 1 80 PHE PHE 0.24 5165 1 1 1 1 80 PHE TYR 0.19 5165 1 1 1 1 96 LEU GLY 0.84 5165 1 1 1 1 96 LEU ARG 0.1 5165 1 1 1 1 96 LEU LEU 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5165 _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 5165 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 5165 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5165 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5165 _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_