data_AVS_bmrb_pdb_report_16914 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16914 _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 18 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16914 1 1 1 1 62 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16914 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 18 ARG C 175.443 . 176.41 2.03 6.3382e-01 16914 1 1 1 1 18 ARG CA 55.216 . 56.77 2.31 5.0112e-01 16914 1 1 1 1 18 ARG CB 31.098 . 30.7 1.83 8.2783e-01 16914 1 1 1 1 18 ARG CG 28.51 . 27.21 1.2 2.7866e-01 16914 1 1 1 1 18 ARG CD 43.08 . 43.16 0.88 9.2757e-01 16914 1 1 1 1 18 ARG H 9.006 . 8.24 0.61 2.0921e-01 16914 1 1 1 1 18 ARG HA 4.629 . 4.3 0.46 4.7447e-01 16914 1 1 1 1 18 ARG HB2 1.909 . 1.79 0.27 6.5940e-01 16914 1 1 1 1 18 ARG HB3 1.707 . 1.76 0.28 8.4987e-01 16914 1 1 1 1 18 ARG HG2 1.522 . 1.57 0.27 8.5890e-01 16914 1 1 1 1 18 ARG HG3 1.522 . 1.54 0.29 9.5051e-01 16914 1 1 1 1 18 ARG HD2 3.09 . 3.12 0.24 9.0052e-01 16914 1 1 1 1 18 ARG HD3 3.09 . 3.1 0.26 9.6932e-01 16914 1 1 1 1 18 ARG HE 7.116 . 7.4 0.63 6.5214e-01 16914 1 1 1 1 18 ARG N 121.677 . 120.8 3.68 8.1164e-01 16914 1 1 1 1 18 ARG NE 113.289 A 84.63 1.68 3.0001e-65 16914 1 1 1 1 62 ARG C 173.71 . 176.41 2.03 1.8350e-01 16914 1 1 1 1 62 ARG CA 55.609 . 56.77 2.31 6.1525e-01 16914 1 1 1 1 62 ARG CB 31.937 . 30.7 1.83 4.9907e-01 16914 1 1 1 1 62 ARG CG 27.499 . 27.21 1.2 8.0968e-01 16914 1 1 1 1 62 ARG CD 43.716 . 43.16 0.88 5.2751e-01 16914 1 1 1 1 62 ARG H 7.671 . 8.24 0.61 3.5093e-01 16914 1 1 1 1 62 ARG HA 4.305 . 4.3 0.46 9.9133e-01 16914 1 1 1 1 62 ARG HB2 1.569 . 1.79 0.27 4.1306e-01 16914 1 1 1 1 62 ARG HB3 1.41 . 1.76 0.28 2.1130e-01 16914 1 1 1 1 62 ARG HG2 1.293 . 1.57 0.27 3.0493e-01 16914 1 1 1 1 62 ARG HG3 1.135 . 1.54 0.29 1.6255e-01 16914 1 1 1 1 62 ARG HD2 2.887 . 3.12 0.24 3.3163e-01 16914 1 1 1 1 62 ARG HD3 2.887 . 3.1 0.26 4.1266e-01 16914 1 1 1 1 62 ARG HE 7.078 . 7.4 0.63 6.0927e-01 16914 1 1 1 1 62 ARG N 129.289 . 120.8 3.68 2.1066e-02 16914 1 1 1 1 62 ARG NE 114.813 A 84.63 1.68 3.5927e-72 16914 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 18 ARG ARG 0.6 16914 1 1 1 1 18 ARG LYS 0.32 16914 1 1 1 1 18 ARG GLY 0.06 16914 1 1 1 1 62 ARG ARG 0.72 16914 1 1 1 1 62 ARG GLY 0.18 16914 1 1 1 1 62 ARG LYS 0.09 16914 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16914 _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 16914 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16914 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16914 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16914 _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_