data_AVS_bmrb_pdb_report_15117 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15117 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 12 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15117 1 1 1 1 23 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15117 1 1 1 1 32 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15117 1 1 1 1 34 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15117 1 1 1 2 1 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 2 2 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 2 3 ALA UNSUPPORTED . . . . . . . 15117 1 1 1 2 4 U UNSUPPORTED . . . . . . . 15117 1 1 1 2 5 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 2 6 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 2 7 U UNSUPPORTED . . . . . . . 15117 1 1 1 2 8 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 2 9 U UNSUPPORTED . . . . . . . 15117 1 1 1 2 10 ALA UNSUPPORTED . . . . . . . 15117 1 1 1 2 11 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 2 12 ALA UNSUPPORTED . . . . . . . 15117 1 1 1 2 13 GLY UNSUPPORTED . . . . . . . 15117 1 1 1 2 14 GLY UNSUPPORTED . . . . . . . 15117 1 1 1 2 15 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 2 16 GLY UNSUPPORTED . . . . . . . 15117 1 1 1 3 1 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 3 2 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 3 3 ALA UNSUPPORTED . . . . . . . 15117 1 1 1 3 4 U UNSUPPORTED . . . . . . . 15117 1 1 1 3 5 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 3 6 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 3 7 U UNSUPPORTED . . . . . . . 15117 1 1 1 3 8 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 3 9 U UNSUPPORTED . . . . . . . 15117 1 1 1 3 10 ALA UNSUPPORTED . . . . . . . 15117 1 1 1 3 11 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 3 12 ALA UNSUPPORTED . . . . . . . 15117 1 1 1 3 13 GLY UNSUPPORTED . . . . . . . 15117 1 1 1 3 14 GLY UNSUPPORTED . . . . . . . 15117 1 1 1 3 15 CYS UNSUPPORTED . . . . . . . 15117 1 1 1 3 16 GLY UNSUPPORTED . . . . . . . 15117 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 12 ASP C 181.85 A 176.41 1.77 2.1160e-03 15117 1 1 1 1 12 ASP CA 58.10 . 54.52 2.1 8.8239e-02 15117 1 1 1 1 12 ASP CB 39.47 . 40.7 1.67 4.6141e-01 15117 1 1 1 1 12 ASP H 8.70 . 8.33 0.57 5.1626e-01 15117 1 1 1 1 12 ASP N 120.55 . 120.73 4.2 9.6582e-01 15117 1 1 1 1 23 VAL C 182.22 A 175.69 2.03 1.2965e-03 15117 1 1 1 1 23 VAL CA 65.81 . 62.48 3.04 2.7334e-01 15117 1 1 1 1 23 VAL CB 30.70 . 32.66 1.91 3.0481e-01 15117 1 1 1 1 23 VAL H 7.76 . 8.29 0.71 4.5538e-01 15117 1 1 1 1 23 VAL N 119.81 . 121.02 4.96 8.0727e-01 15117 1 1 1 1 32 PHE C 181.16 A 175.49 2.13 7.7684e-03 15117 1 1 1 1 32 PHE CA 61.68 . 58.25 2.73 2.0897e-01 15117 1 1 1 1 32 PHE CB 39.63 . 39.95 2.04 8.7535e-01 15117 1 1 1 1 32 PHE H 8.01 . 8.42 0.74 5.7954e-01 15117 1 1 1 1 32 PHE N 119.96 . 120.69 4.18 8.6136e-01 15117 1 1 1 1 34 ASP C 182.08 A 176.41 1.77 1.3582e-03 15117 1 1 1 1 34 ASP CA 57.00 . 54.52 2.1 2.3762e-01 15117 1 1 1 1 34 ASP CB 38.90 . 40.7 1.67 2.8110e-01 15117 1 1 1 1 34 ASP H 8.66 . 8.33 0.57 5.6262e-01 15117 1 1 1 1 34 ASP N 121.47 . 120.73 4.2 8.6014e-01 15117 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 12 ASP PHE 0.36 15117 1 1 1 1 12 ASP CYS 0.27 15117 1 1 1 1 12 ASP ILE 0.15 15117 1 1 1 1 12 ASP ASP 0.06 15117 1 1 1 1 12 ASP LEU 0.06 15117 1 1 1 1 12 ASP GLU 0.02 15117 1 1 1 1 12 ASP LYS 0.02 15117 1 1 1 1 12 ASP ASN 0.01 15117 1 1 1 1 23 VAL VAL 0.43 15117 1 1 1 1 23 VAL PRO 0.31 15117 1 1 1 1 23 VAL ILE 0.17 15117 1 1 1 1 23 VAL CYS 0.05 15117 1 1 1 1 23 VAL TRP 0.01 15117 1 1 1 1 32 PHE ILE 0.52 15117 1 1 1 1 32 PHE PHE 0.26 15117 1 1 1 1 32 PHE CYS 0.19 15117 1 1 1 1 34 ASP PHE 0.3 15117 1 1 1 1 34 ASP CYS 0.29 15117 1 1 1 1 34 ASP ASP 0.1 15117 1 1 1 1 34 ASP ILE 0.09 15117 1 1 1 1 34 ASP ASN 0.06 15117 1 1 1 1 34 ASP GLU 0.05 15117 1 1 1 1 34 ASP LEU 0.05 15117 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15117 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 15117 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15117 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15117 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15117 _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_