data_AVS_bmrb_pdb_report_6617 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6617 _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 6617 1 1 1 1 90 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6617 1 1 1 1 123 HIS Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 6617 1 1 1 1 171 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6617 1 1 1 1 172 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6617 1 1 1 1 193 ASN 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 6617 1 1 1 1 90 PHE C 181.08 M 175.49 2.13 8.6798e-03 6617 1 1 1 1 90 PHE CA 54.732 . 58.25 2.73 1.9752e-01 6617 1 1 1 1 90 PHE CB 41.43 . 39.95 2.04 4.6815e-01 6617 1 1 1 1 90 PHE H 8.496 . 8.42 0.74 9.1820e-01 6617 1 1 1 1 90 PHE N 113.82 . 120.69 4.18 1.0027e-01 6617 1 1 1 1 123 HIS C 180.868 M 175.19 2.14 7.9716e-03 6617 1 1 1 1 171 TYR C 182.917 M 175.39 1.89 6.8183e-05 6617 1 1 1 1 171 TYR CA 55.904 . 58.02 2.64 4.2283e-01 6617 1 1 1 1 171 TYR H 8.149 . 8.37 0.75 7.6825e-01 6617 1 1 1 1 171 TYR N 121.897 . 120.79 4.69 8.1341e-01 6617 1 1 1 1 172 GLU C 182.889 M 176.93 2.11 4.7403e-03 6617 1 1 1 1 172 GLU CA 53.399 . 57.42 2.19 6.6347e-02 6617 1 1 1 1 172 GLU CB 31.83 . 30.07 1.84 3.3881e-01 6617 1 1 1 1 172 GLU H 8.775 . 8.34 0.61 4.7577e-01 6617 1 1 1 1 172 GLU N 120.749 . 120.68 3.68 9.8504e-01 6617 1 1 1 1 193 ASN C 180.269 M 175.16 1.76 3.6979e-03 6617 1 1 1 1 193 ASN CA 53.585 . 53.43 1.94 9.3632e-01 6617 1 1 1 1 193 ASN CB 36.69 . 38.66 1.78 2.6841e-01 6617 1 1 1 1 193 ASN H 7.78 . 8.37 0.65 3.6404e-01 6617 1 1 1 1 193 ASN N 121.053 . 119.13 4.42 6.6351e-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 6617 1 1 1 1 90 PHE ASP 0.23 6617 1 1 1 1 90 PHE LEU 0.21 6617 1 1 1 1 90 PHE LYS 0.15 6617 1 1 1 1 90 PHE CYS 0.1 6617 1 1 1 1 90 PHE PHE 0.08 6617 1 1 1 1 90 PHE TYR 0.07 6617 1 1 1 1 90 PHE ASN 0.06 6617 1 1 1 1 90 PHE ARG 0.05 6617 1 1 1 1 171 TYR MET 0.1 6617 1 1 1 1 171 TYR LEU 0.1 6617 1 1 1 1 171 TYR HIS 0.1 6617 1 1 1 1 171 TYR GLN 0.08 6617 1 1 1 1 171 TYR LYS 0.08 6617 1 1 1 1 171 TYR ARG 0.07 6617 1 1 1 1 171 TYR CYS 0.07 6617 1 1 1 1 171 TYR ASP 0.06 6617 1 1 1 1 171 TYR TRP 0.05 6617 1 1 1 1 171 TYR GLU 0.05 6617 1 1 1 1 171 TYR TYR 0.05 6617 1 1 1 1 171 TYR PHE 0.04 6617 1 1 1 1 171 TYR SER 0.02 6617 1 1 1 1 171 TYR ASN 0.02 6617 1 1 1 1 171 TYR ALA 0.02 6617 1 1 1 1 172 GLU MET 0.21 6617 1 1 1 1 172 GLU CYS 0.2 6617 1 1 1 1 172 GLU HIS 0.13 6617 1 1 1 1 172 GLU ARG 0.11 6617 1 1 1 1 172 GLU LYS 0.11 6617 1 1 1 1 172 GLU TRP 0.08 6617 1 1 1 1 172 GLU GLN 0.05 6617 1 1 1 1 172 GLU GLU 0.05 6617 1 1 1 1 193 ASN ASN 0.32 6617 1 1 1 1 193 ASN CYS 0.29 6617 1 1 1 1 193 ASN GLU 0.11 6617 1 1 1 1 193 ASN TYR 0.07 6617 1 1 1 1 193 ASN MET 0.07 6617 1 1 1 1 193 ASN PHE 0.03 6617 1 1 1 1 193 ASN ASP 0.03 6617 1 1 1 1 193 ASN LYS 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6617 _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 6617 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 6617 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6617 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6617 _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_