data_AVS_bmrb_pdb_report_15303 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15303 _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 15303 1 1 1 1 31 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15303 1 1 1 1 47 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15303 1 1 1 1 150 ALA Anomalous Consistent Consistent Anomalous Consistent 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 15303 1 1 1 1 31 PHE C 172.8 . 175.49 2.13 2.0662e-01 15303 1 1 1 1 31 PHE CA 55.0 . 58.25 2.73 2.3386e-01 15303 1 1 1 1 31 PHE CB 36.5 . 39.95 2.04 9.0803e-02 15303 1 1 1 1 31 PHE H 8.47 . 8.42 0.74 9.4613e-01 15303 1 1 1 1 31 PHE HA 4.20 . 4.62 0.58 4.6898e-01 15303 1 1 1 1 31 PHE HB2 2.06 . 2.99 0.37 1.1954e-02 15303 1 1 1 1 31 PHE HB3 0.53 M 2.97 0.38 1.3534e-10 15303 1 1 1 1 31 PHE N 127.8 . 120.69 4.18 8.8951e-02 15303 1 1 1 1 47 ALA C 178.6 . 177.8 2.18 7.1364e-01 15303 1 1 1 1 47 ALA CA 53.2 . 53.16 2.06 9.8451e-01 15303 1 1 1 1 47 ALA CB 17.7 . 18.9 1.85 5.1657e-01 15303 1 1 1 1 47 ALA H 7.33 . 8.2 0.6 1.4706e-01 15303 1 1 1 1 47 ALA HA 1.79 M 4.26 0.42 4.0791e-09 15303 1 1 1 1 47 ALA HB 0.44 S 1.38 0.25 1.6991e-04 15303 1 1 1 1 47 ALA N 118.1 . 123.23 3.7 1.6560e-01 15303 1 1 1 1 150 ALA C 180.6 . 177.8 2.18 1.9900e-01 15303 1 1 1 1 150 ALA CA 53.9 . 53.16 2.06 7.1943e-01 15303 1 1 1 1 150 ALA CB 19.5 . 18.9 1.85 7.4569e-01 15303 1 1 1 1 150 ALA H 7.36 . 8.2 0.6 1.6151e-01 15303 1 1 1 1 150 ALA HA 1.86 M 4.26 0.42 1.1017e-08 15303 1 1 1 1 150 ALA HB 0.66 . 1.38 0.25 3.9768e-03 15303 1 1 1 1 150 ALA N 119.7 . 123.23 3.7 3.4006e-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 15303 1 1 1 1 31 PHE CYS 0.29 15303 1 1 1 1 31 PHE GLU 0.21 15303 1 1 1 1 31 PHE ASN 0.14 15303 1 1 1 1 31 PHE TYR 0.1 15303 1 1 1 1 31 PHE MET 0.09 15303 1 1 1 1 31 PHE PHE 0.04 15303 1 1 1 1 31 PHE LYS 0.04 15303 1 1 1 1 31 PHE ASP 0.01 15303 1 1 1 1 31 PHE ILE 0.01 15303 1 1 1 1 31 PHE GLN 0.01 15303 1 1 1 1 47 ALA ALA 0.62 15303 1 1 1 1 47 ALA MET 0.34 15303 1 1 1 1 47 ALA CYS 0.01 15303 1 1 1 1 150 ALA ALA 0.59 15303 1 1 1 1 150 ALA MET 0.33 15303 1 1 1 1 150 ALA CYS 0.03 15303 1 1 1 1 150 ALA LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15303 _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 15303 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 15303 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15303 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15303 _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_