data_AVS_bmrb_pdb_report_18412 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18412 _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 72 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18412 1 1 1 1 83 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18412 1 1 1 1 85 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18412 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 72 ARG CA 49.6130 . 56.77 2.31 1.9466e-03 18412 1 1 1 1 72 ARG CB 28.5620 . 30.7 1.83 2.4268e-01 18412 1 1 1 1 72 ARG H 8.0060 . 8.24 0.61 7.0127e-01 18412 1 1 1 1 72 ARG HA 5.0740 . 4.3 0.46 9.2451e-02 18412 1 1 1 1 72 ARG HB2 1.5690 . 1.79 0.27 4.1306e-01 18412 1 1 1 1 72 ARG HB3 1.6250 . 1.76 0.28 6.2970e-01 18412 1 1 1 1 72 ARG HG2 1.3540 . 1.57 0.27 4.2371e-01 18412 1 1 1 1 72 ARG HG3 1.4130 . 1.54 0.29 6.6144e-01 18412 1 1 1 1 72 ARG HD2 3.3030 . 3.12 0.24 4.4576e-01 18412 1 1 1 1 72 ARG HD3 3.4020 . 3.1 0.26 2.4542e-01 18412 1 1 1 1 72 ARG HE 9.0000 . 7.4 0.63 1.1095e-02 18412 1 1 1 1 72 ARG N 115.2260 . 120.8 3.68 1.2985e-01 18412 1 1 1 1 72 ARG NE 110.7040 A 84.63 1.68 2.5311e-54 18412 1 1 1 1 83 ARG CA 59.8770 . 56.77 2.31 1.7862e-01 18412 1 1 1 1 83 ARG CB 30.3780 . 30.7 1.83 8.6033e-01 18412 1 1 1 1 83 ARG CG 28.3830 . 27.21 1.2 3.2832e-01 18412 1 1 1 1 83 ARG CD 44.1160 . 43.16 0.88 2.7732e-01 18412 1 1 1 1 83 ARG H 8.5960 . 8.24 0.61 5.5949e-01 18412 1 1 1 1 83 ARG HA 3.6710 . 4.3 0.46 1.7150e-01 18412 1 1 1 1 83 ARG HB2 1.9540 . 1.79 0.27 5.4358e-01 18412 1 1 1 1 83 ARG HB3 1.9080 . 1.76 0.28 5.9710e-01 18412 1 1 1 1 83 ARG HG2 1.7070 . 1.57 0.27 6.1187e-01 18412 1 1 1 1 83 ARG HD2 3.2070 . 3.12 0.24 7.1698e-01 18412 1 1 1 1 83 ARG HD3 3.1510 . 3.1 0.26 8.4449e-01 18412 1 1 1 1 83 ARG HE 8.3470 . 7.4 0.63 1.3279e-01 18412 1 1 1 1 83 ARG N 119.3790 . 120.8 3.68 6.9939e-01 18412 1 1 1 1 83 ARG NE 112.9430 A 84.63 1.68 9.9765e-64 18412 1 1 1 1 85 ARG CA 58.9050 . 56.77 2.31 3.5536e-01 18412 1 1 1 1 85 ARG CB 30.8050 . 30.7 1.83 9.5425e-01 18412 1 1 1 1 85 ARG CG 28.1920 . 27.21 1.2 4.1317e-01 18412 1 1 1 1 85 ARG CD 43.4590 . 43.16 0.88 7.3403e-01 18412 1 1 1 1 85 ARG H 7.9490 . 8.24 0.61 6.3333e-01 18412 1 1 1 1 85 ARG HA 4.0570 . 4.3 0.46 5.9732e-01 18412 1 1 1 1 85 ARG HB2 1.7770 . 1.79 0.27 9.6160e-01 18412 1 1 1 1 85 ARG HG2 1.6930 . 1.57 0.27 6.4871e-01 18412 1 1 1 1 85 ARG HD2 3.1740 . 3.12 0.24 8.2198e-01 18412 1 1 1 1 85 ARG HE 7.6340 . 7.4 0.63 7.1032e-01 18412 1 1 1 1 85 ARG N 121.4570 . 120.8 3.68 8.5830e-01 18412 1 1 1 1 85 ARG NE 113.2510 A 84.63 1.68 4.4174e-65 18412 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 72 ARG PRO 0.84 18412 1 1 1 1 72 ARG CYS 0.06 18412 1 1 1 1 72 ARG HIS 0.02 18412 1 1 1 1 72 ARG TRP 0.01 18412 1 1 1 1 72 ARG LEU 0.01 18412 1 1 1 1 72 ARG GLN 0.01 18412 1 1 1 1 72 ARG ARG 0.01 18412 1 1 1 1 83 ARG CYS 0.51 18412 1 1 1 1 83 ARG ARG 0.25 18412 1 1 1 1 83 ARG GLY 0.21 18412 1 1 1 1 83 ARG LYS 0.01 18412 1 1 1 1 85 ARG CYS 0.45 18412 1 1 1 1 85 ARG ARG 0.38 18412 1 1 1 1 85 ARG LYS 0.08 18412 1 1 1 1 85 ARG GLY 0.07 18412 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18412 _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 18412 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18412 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18412 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18412 _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_