data_AVS_bmrb_pdb_report_6060 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6060 _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 86 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6060 1 1 1 1 93 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6060 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 86 ARG CA 58.697 . 56.77 2.31 4.0417e-01 6060 1 1 1 1 86 ARG CB 31.164 . 30.7 1.83 7.9984e-01 6060 1 1 1 1 86 ARG CG 28.198 . 27.21 1.2 4.1032e-01 6060 1 1 1 1 86 ARG CD 43.817 . 43.16 0.88 4.5531e-01 6060 1 1 1 1 86 ARG H 8.589 . 8.24 0.61 5.6723e-01 6060 1 1 1 1 86 ARG HA 4.264 . 4.3 0.46 9.3762e-01 6060 1 1 1 1 86 ARG HB2 1.869 . 1.79 0.27 7.6983e-01 6060 1 1 1 1 86 ARG HB3 1.869 . 1.76 0.28 6.9706e-01 6060 1 1 1 1 86 ARG HG2 1.891 . 1.57 0.27 2.3448e-01 6060 1 1 1 1 86 ARG HG3 1.696 . 1.54 0.29 5.9062e-01 6060 1 1 1 1 86 ARG HD2 3.133 . 3.12 0.24 9.5680e-01 6060 1 1 1 1 86 ARG HD3 3.133 . 3.1 0.26 8.9900e-01 6060 1 1 1 1 86 ARG HE 7.177 . 7.4 0.63 7.2336e-01 6060 1 1 1 1 86 ARG N 118.470 . 120.8 3.68 5.2663e-01 6060 1 1 1 1 86 ARG NE 121.692 A 84.63 1.68 0.0000e+00 6060 1 1 1 1 93 HIS CA 55.643 . 56.52 2.31 7.0420e-01 6060 1 1 1 1 93 HIS CB 30.873 . 30.24 2.07 7.5976e-01 6060 1 1 1 1 93 HIS CD2 118.478 . 120.49 3.42 5.5633e-01 6060 1 1 1 1 93 HIS CE1 137.275 . 137.71 2.12 8.3742e-01 6060 1 1 1 1 93 HIS H 8.843 . 8.24 0.68 3.7521e-01 6060 1 1 1 1 93 HIS HA 5.030 . 4.61 0.43 3.2870e-01 6060 1 1 1 1 93 HIS HB2 3.203 . 3.1 0.36 7.7479e-01 6060 1 1 1 1 93 HIS HB3 3.159 . 3.04 0.38 7.5416e-01 6060 1 1 1 1 93 HIS HD1 0.003 A 8.68 2.62 9.2687e-04 6060 1 1 1 1 93 HIS HD2 7.058 . 7 0.43 8.9270e-01 6060 1 1 1 1 93 HIS HE1 7.921 . 7.95 0.48 9.5182e-01 6060 1 1 1 1 93 HIS N 126.160 . 119.69 4 1.0577e-01 6060 1 1 1 1 93 HIS ND1 211.448 . 195.02 18.51 3.7480e-01 6060 1 1 1 1 93 HIS NE2 173.883 . 182.41 14.4 5.5375e-01 6060 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 86 ARG ARG 0.66 6060 1 1 1 1 86 ARG GLY 0.22 6060 1 1 1 1 86 ARG LYS 0.1 6060 1 1 1 1 93 HIS HIS 0.99 6060 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6060 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 6060 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6060 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6060 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6060 _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_