data_AVS_bmrb_pdb_report_27365 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27365 _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 3 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 27365 1 1 1 1 9 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 27365 1 1 1 1 15 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 27365 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 3 ARG CA 57.315 . 56.77 2.31 8.1349e-01 27365 1 1 1 1 3 ARG CB 30.578 . 30.7 1.83 9.4685e-01 27365 1 1 1 1 3 ARG H 8.928 . 8.24 0.61 2.5938e-01 27365 1 1 1 1 3 ARG HA 4.392 . 4.3 0.46 8.4148e-01 27365 1 1 1 1 3 ARG HB2 1.932 . 1.79 0.27 5.9894e-01 27365 1 1 1 1 3 ARG HB3 1.758 . 1.76 0.28 9.9430e-01 27365 1 1 1 1 3 ARG HG2 1.683 . 1.57 0.27 6.7557e-01 27365 1 1 1 1 3 ARG HG3 1.683 . 1.54 0.29 6.2194e-01 27365 1 1 1 1 3 ARG HD2 3.277 . 3.12 0.24 5.1300e-01 27365 1 1 1 1 3 ARG HD3 3.251 . 3.1 0.26 5.6140e-01 27365 1 1 1 1 3 ARG HE 7.561 . 7.4 0.63 7.9829e-01 27365 1 1 1 1 3 ARG N 124.262 . 120.8 3.68 3.4683e-01 27365 1 1 1 1 3 ARG NE 112.641 A 84.63 1.68 2.0525e-62 27365 1 1 1 1 9 ARG CA 60.204 . 56.77 2.31 1.3713e-01 27365 1 1 1 1 9 ARG CB 30.271 . 30.7 1.83 8.1465e-01 27365 1 1 1 1 9 ARG H 8.352 . 8.24 0.61 8.5432e-01 27365 1 1 1 1 9 ARG HA 3.885 . 4.3 0.46 3.6696e-01 27365 1 1 1 1 9 ARG HB2 2.008 . 1.79 0.27 4.1943e-01 27365 1 1 1 1 9 ARG HB3 1.851 . 1.76 0.28 7.4518e-01 27365 1 1 1 1 9 ARG HG2 1.648 . 1.57 0.27 7.7267e-01 27365 1 1 1 1 9 ARG HG3 1.648 . 1.54 0.29 7.0958e-01 27365 1 1 1 1 9 ARG HD2 3.263 . 3.12 0.24 5.5129e-01 27365 1 1 1 1 9 ARG HD3 3.256 . 3.1 0.26 5.4851e-01 27365 1 1 1 1 9 ARG HE 7.536 . 7.4 0.63 8.2909e-01 27365 1 1 1 1 9 ARG N 119.231 . 120.8 3.68 6.6985e-01 27365 1 1 1 1 9 ARG NE 112.672 A 84.63 1.68 1.5070e-62 27365 1 1 1 1 15 ARG CA 56.266 . 56.77 2.31 8.2729e-01 27365 1 1 1 1 15 ARG CB 30.578 . 30.7 1.83 9.4685e-01 27365 1 1 1 1 15 ARG H 7.721 . 8.24 0.61 3.9487e-01 27365 1 1 1 1 15 ARG HA 4.219 . 4.3 0.46 8.6023e-01 27365 1 1 1 1 15 ARG HB2 1.839 . 1.79 0.27 8.5599e-01 27365 1 1 1 1 15 ARG HB3 1.700 . 1.76 0.28 8.3032e-01 27365 1 1 1 1 15 ARG HG2 1.569 . 1.57 0.27 9.9704e-01 27365 1 1 1 1 15 ARG HG3 1.536 . 1.54 0.29 9.8900e-01 27365 1 1 1 1 15 ARG HD2 3.067 . 3.12 0.24 8.2522e-01 27365 1 1 1 1 15 ARG HD3 3.043 . 3.1 0.26 8.2647e-01 27365 1 1 1 1 15 ARG HE 7.480 . 7.4 0.63 8.9895e-01 27365 1 1 1 1 15 ARG N 119.563 . 120.8 3.68 7.3676e-01 27365 1 1 1 1 15 ARG NE 112.551 A 84.63 1.68 5.0231e-62 27365 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 3 ARG ARG 0.26 27365 1 1 1 1 3 ARG GLU 0.26 27365 1 1 1 1 3 ARG GLN 0.19 27365 1 1 1 1 3 ARG MET 0.13 27365 1 1 1 1 3 ARG LYS 0.12 27365 1 1 1 1 3 ARG ILE 0.01 27365 1 1 1 1 9 ARG GLU 0.26 27365 1 1 1 1 9 ARG ARG 0.22 27365 1 1 1 1 9 ARG ILE 0.19 27365 1 1 1 1 9 ARG GLN 0.13 27365 1 1 1 1 9 ARG LYS 0.11 27365 1 1 1 1 9 ARG MET 0.06 27365 1 1 1 1 15 ARG ARG 0.27 27365 1 1 1 1 15 ARG GLU 0.23 27365 1 1 1 1 15 ARG GLN 0.2 27365 1 1 1 1 15 ARG MET 0.15 27365 1 1 1 1 15 ARG LYS 0.12 27365 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27365 _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 27365 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27365 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27365 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27365 _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_