data_AVS_bmrb_pdb_report_27690 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27690 _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 7 ARG Anomalous Consistent Suspicious Suspicious Consistent Anomalous "HA > HD2" 0.9912 27690 1 1 1 1 90 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 27690 1 1 1 1 91 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 27690 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 7 ARG C 174.280 . 176.41 2.03 2.9406e-01 27690 1 1 1 1 7 ARG CA 53.974 . 56.77 2.31 2.2613e-01 27690 1 1 1 1 7 ARG CB 30.663 . 30.7 1.83 9.8387e-01 27690 1 1 1 1 7 ARG CG 25.973 . 27.21 1.2 3.0262e-01 27690 1 1 1 1 7 ARG CD 43.666 . 43.16 0.88 5.6529e-01 27690 1 1 1 1 7 ARG H 7.878 . 8.24 0.61 5.5288e-01 27690 1 1 1 1 7 ARG HA 2.171 S 4.3 0.46 3.6875e-06 27690 1 1 1 1 7 ARG HB2 0.955 . 1.79 0.27 1.9842e-03 27690 1 1 1 1 7 ARG HB3 0.689 S 1.76 0.28 1.3077e-04 27690 1 1 1 1 7 ARG HG2 1.085 . 1.57 0.27 7.2448e-02 27690 1 1 1 1 7 ARG HG3 0.285 S 1.54 0.29 1.5075e-05 27690 1 1 1 1 7 ARG HD2 2.844 . 3.12 0.24 2.5014e-01 27690 1 1 1 1 7 ARG HD3 2.749 . 3.1 0.26 1.7702e-01 27690 1 1 1 1 7 ARG HE 7.615 . 7.4 0.63 7.3290e-01 27690 1 1 1 1 7 ARG N 125.574 . 120.8 3.68 1.9453e-01 27690 1 1 1 1 7 ARG NE 135.205 A 84.63 1.68 0.0000e+00 27690 1 1 1 1 90 ARG C 174.890 . 176.41 2.03 4.5400e-01 27690 1 1 1 1 90 ARG CA 55.142 . 56.77 2.31 4.8096e-01 27690 1 1 1 1 90 ARG CB 34.269 . 30.7 1.83 5.1144e-02 27690 1 1 1 1 90 ARG CG 27.461 . 27.21 1.2 8.3432e-01 27690 1 1 1 1 90 ARG CD 43.127 . 43.16 0.88 9.7009e-01 27690 1 1 1 1 90 ARG H 8.656 . 8.24 0.61 4.9526e-01 27690 1 1 1 1 90 ARG HA 5.779 . 4.3 0.46 1.3035e-03 27690 1 1 1 1 90 ARG HB2 1.764 . 1.79 0.27 9.2329e-01 27690 1 1 1 1 90 ARG HB3 2.165 . 1.76 0.28 1.4806e-01 27690 1 1 1 1 90 ARG HG2 1.490 . 1.57 0.27 7.6700e-01 27690 1 1 1 1 90 ARG HG3 1.428 . 1.54 0.29 6.9934e-01 27690 1 1 1 1 90 ARG HD2 3.136 . 3.12 0.24 9.4685e-01 27690 1 1 1 1 90 ARG HD3 3.063 . 3.1 0.26 8.8684e-01 27690 1 1 1 1 90 ARG HE 10.525 S 7.4 0.63 7.0378e-07 27690 1 1 1 1 90 ARG N 122.822 . 120.8 3.68 5.8269e-01 27690 1 1 1 1 90 ARG NE 137.303 A 84.63 1.68 0.0000e+00 27690 1 1 1 1 91 ARG C 172.812 . 176.41 2.03 7.6326e-02 27690 1 1 1 1 91 ARG CA 55.047 . 56.77 2.31 4.5574e-01 27690 1 1 1 1 91 ARG CB 36.387 . 30.7 1.83 1.8858e-03 27690 1 1 1 1 91 ARG CG 27.240 . 27.21 1.2 9.8006e-01 27690 1 1 1 1 91 ARG CD 43.902 . 43.16 0.88 3.9913e-01 27690 1 1 1 1 91 ARG H 9.504 . 8.24 0.61 3.8253e-02 27690 1 1 1 1 91 ARG HA 5.319 . 4.3 0.46 2.6745e-02 27690 1 1 1 1 91 ARG HB2 1.943 . 1.79 0.27 5.7094e-01 27690 1 1 1 1 91 ARG HB3 2.168 . 1.76 0.28 1.4508e-01 27690 1 1 1 1 91 ARG HG2 1.579 . 1.57 0.27 9.7341e-01 27690 1 1 1 1 91 ARG HG3 1.554 . 1.54 0.29 9.6150e-01 27690 1 1 1 1 91 ARG HD2 3.296 . 3.12 0.24 4.6336e-01 27690 1 1 1 1 91 ARG HD3 3.193 . 3.1 0.26 7.2057e-01 27690 1 1 1 1 91 ARG HE 8.401 . 7.4 0.63 1.1209e-01 27690 1 1 1 1 91 ARG N 130.789 . 120.8 3.68 6.6396e-03 27690 1 1 1 1 91 ARG NE 134.956 A 84.63 1.68 0.0000e+00 27690 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 7 ARG ARG 0.67 27690 1 1 1 1 7 ARG GLY 0.24 27690 1 1 1 1 7 ARG LYS 0.07 27690 1 1 1 1 90 ARG ARG 0.52 27690 1 1 1 1 90 ARG LYS 0.33 27690 1 1 1 1 90 ARG GLY 0.14 27690 1 1 1 1 91 ARG GLY 0.88 27690 1 1 1 1 91 ARG ARG 0.08 27690 1 1 1 1 91 ARG LYS 0.03 27690 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27690 _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 27690 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27690 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27690 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27690 _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_