data_AVS_bmrb_pdb_report_4278 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4278 _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 34 ARG Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 4278 1 1 1 1 49 ARG Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 4278 1 1 1 1 50 ARG Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 4278 1 1 1 1 69 ARG Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 4278 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 34 ARG H 8.00 . 8.24 0.61 6.9399e-01 4278 1 1 1 1 34 ARG HA 4.10 . 4.3 0.46 6.6372e-01 4278 1 1 1 1 34 ARG HB2 1.94 . 1.79 0.27 5.7851e-01 4278 1 1 1 1 34 ARG HB3 1.94 . 1.76 0.28 5.2032e-01 4278 1 1 1 1 34 ARG HG2 1.77 . 1.57 0.27 4.5885e-01 4278 1 1 1 1 34 ARG HG3 1.77 . 1.54 0.29 4.2772e-01 4278 1 1 1 1 34 ARG HD2 3.22 . 3.12 0.24 6.7692e-01 4278 1 1 1 1 34 ARG HD3 3.22 . 3.1 0.26 6.4441e-01 4278 1 1 1 1 34 ARG HE 7.03 . 7.4 0.63 5.5700e-01 4278 1 1 1 1 34 ARG N 118.33 . 120.8 3.68 5.0210e-01 4278 1 1 1 1 34 ARG NE 117.77 A 84.63 1.68 1.2850e-86 4278 1 1 1 1 49 ARG H 8.08 . 8.24 0.61 7.9309e-01 4278 1 1 1 1 49 ARG HA 4.25 . 4.3 0.46 9.1344e-01 4278 1 1 1 1 49 ARG HB2 1.80 . 1.79 0.27 9.7046e-01 4278 1 1 1 1 49 ARG HB3 1.65 . 1.76 0.28 6.9442e-01 4278 1 1 1 1 49 ARG HG2 1.55 . 1.57 0.27 9.4095e-01 4278 1 1 1 1 49 ARG HG3 1.55 . 1.54 0.29 9.7249e-01 4278 1 1 1 1 49 ARG HD2 3.11 . 3.12 0.24 9.6676e-01 4278 1 1 1 1 49 ARG HD3 3.11 . 3.1 0.26 9.6932e-01 4278 1 1 1 1 49 ARG HE 7.08 . 7.4 0.63 6.1150e-01 4278 1 1 1 1 49 ARG N 122.04 . 120.8 3.68 7.3615e-01 4278 1 1 1 1 49 ARG NE 112.43 A 84.63 1.68 1.6656e-61 4278 1 1 1 1 50 ARG H 8.08 . 8.24 0.61 7.9309e-01 4278 1 1 1 1 50 ARG HA 4.27 . 4.3 0.46 9.4800e-01 4278 1 1 1 1 50 ARG HB2 1.79 . 1.79 0.27 1.0000e+00 4278 1 1 1 1 50 ARG HB3 1.67 . 1.76 0.28 7.4789e-01 4278 1 1 1 1 50 ARG HG2 1.54 . 1.57 0.27 9.1153e-01 4278 1 1 1 1 50 ARG HG3 1.54 . 1.54 0.29 1.0000e+00 4278 1 1 1 1 50 ARG HD2 3.07 . 3.12 0.24 8.3497e-01 4278 1 1 1 1 50 ARG HD3 3.07 . 3.1 0.26 9.0814e-01 4278 1 1 1 1 50 ARG HE 7.17 . 7.4 0.63 7.1505e-01 4278 1 1 1 1 50 ARG N 121.16 . 120.8 3.68 9.2207e-01 4278 1 1 1 1 50 ARG NE 112.43 A 84.63 1.68 1.6656e-61 4278 1 1 1 1 69 ARG H 7.86 . 8.24 0.61 5.3332e-01 4278 1 1 1 1 69 ARG HA 3.85 . 4.3 0.46 3.2795e-01 4278 1 1 1 1 69 ARG HB2 1.74 . 1.79 0.27 8.5308e-01 4278 1 1 1 1 69 ARG HB3 1.74 . 1.76 0.28 9.4306e-01 4278 1 1 1 1 69 ARG HG2 1.59 . 1.57 0.27 9.4095e-01 4278 1 1 1 1 69 ARG HG3 1.59 . 1.54 0.29 8.6311e-01 4278 1 1 1 1 69 ARG HD2 3.15 . 3.12 0.24 9.0052e-01 4278 1 1 1 1 69 ARG HD3 3.15 . 3.1 0.26 8.4750e-01 4278 1 1 1 1 69 ARG HE 7.37 . 7.4 0.63 9.6202e-01 4278 1 1 1 1 69 ARG N 116.80 . 120.8 3.68 2.7706e-01 4278 1 1 1 1 69 ARG NE 112.86 A 84.63 1.68 2.2978e-63 4278 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4278 _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 4278 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4278 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4278 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4278 _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_