data_AVS_bmrb_pdb_report_30149 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30149 _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 14 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30149 1 1 1 1 25 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30149 1 1 1 1 36 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30149 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 14 ARG C 177.182 . 176.41 2.03 7.0373e-01 30149 1 1 1 1 14 ARG CA 58.671 . 56.77 2.31 4.1054e-01 30149 1 1 1 1 14 ARG CB 29.318 . 30.7 1.83 4.5013e-01 30149 1 1 1 1 14 ARG CG 26.421 . 27.21 1.2 5.1086e-01 30149 1 1 1 1 14 ARG CD 43.187 . 43.16 0.88 9.7552e-01 30149 1 1 1 1 14 ARG H 7.778 . 8.24 0.61 4.4882e-01 30149 1 1 1 1 14 ARG HA 4.204 . 4.3 0.46 8.3469e-01 30149 1 1 1 1 14 ARG HB2 1.913 . 1.79 0.27 6.4871e-01 30149 1 1 1 1 14 ARG HB3 1.913 . 1.76 0.28 5.8477e-01 30149 1 1 1 1 14 ARG HG2 1.723 . 1.57 0.27 5.7094e-01 30149 1 1 1 1 14 ARG HG3 1.723 . 1.54 0.29 5.2802e-01 30149 1 1 1 1 14 ARG HD2 3.239 . 3.12 0.24 6.2001e-01 30149 1 1 1 1 14 ARG HD3 3.160 . 3.1 0.26 8.1749e-01 30149 1 1 1 1 14 ARG HE 7.535 . 7.4 0.63 8.3032e-01 30149 1 1 1 1 14 ARG N 120.842 . 120.8 3.68 9.9089e-01 30149 1 1 1 1 14 ARG NE 113.487 A 84.63 1.68 3.9627e-66 30149 1 1 1 1 25 ARG C 174.604 . 176.41 2.03 3.7365e-01 30149 1 1 1 1 25 ARG CA 56.945 . 56.77 2.31 9.3961e-01 30149 1 1 1 1 25 ARG CB 30.654 . 30.7 1.83 9.7995e-01 30149 1 1 1 1 25 ARG CG 27.467 . 27.21 1.2 8.3042e-01 30149 1 1 1 1 25 ARG CD 42.201 . 43.16 0.88 2.7581e-01 30149 1 1 1 1 25 ARG H 7.844 . 8.24 0.61 5.1622e-01 30149 1 1 1 1 25 ARG HA 4.202 . 4.3 0.46 8.3129e-01 30149 1 1 1 1 25 ARG HB2 1.744 . 1.79 0.27 8.6472e-01 30149 1 1 1 1 25 ARG HB3 1.958 . 1.76 0.28 4.7948e-01 30149 1 1 1 1 25 ARG HG2 1.267 . 1.57 0.27 2.6177e-01 30149 1 1 1 1 25 ARG HG3 1.313 . 1.54 0.29 4.3377e-01 30149 1 1 1 1 25 ARG HD2 2.994 . 3.12 0.24 5.9958e-01 30149 1 1 1 1 25 ARG HD3 2.994 . 3.1 0.26 6.8350e-01 30149 1 1 1 1 25 ARG HE 7.392 . 7.4 0.63 9.8987e-01 30149 1 1 1 1 25 ARG N 118.170 . 120.8 3.68 4.7481e-01 30149 1 1 1 1 25 ARG NE 112.117 A 84.63 1.68 3.6127e-60 30149 1 1 1 1 36 ARG CA 57.974 . 56.77 2.31 6.0222e-01 30149 1 1 1 1 36 ARG CB 31.465 . 30.7 1.83 6.7592e-01 30149 1 1 1 1 36 ARG CG 27.226 . 27.21 1.2 9.8936e-01 30149 1 1 1 1 36 ARG CD 43.262 . 43.16 0.88 9.0772e-01 30149 1 1 1 1 36 ARG H 8.603 . 8.24 0.61 5.5179e-01 30149 1 1 1 1 36 ARG HA 4.181 . 4.3 0.46 7.9587e-01 30149 1 1 1 1 36 ARG HB2 1.838 . 1.79 0.27 8.5890e-01 30149 1 1 1 1 36 ARG HB3 1.744 . 1.76 0.28 9.5443e-01 30149 1 1 1 1 36 ARG HG2 1.596 . 1.57 0.27 9.2329e-01 30149 1 1 1 1 36 ARG HG3 1.552 . 1.54 0.29 9.6699e-01 30149 1 1 1 1 36 ARG HD2 3.158 . 3.12 0.24 8.7419e-01 30149 1 1 1 1 36 ARG HD3 3.158 . 3.1 0.26 8.2348e-01 30149 1 1 1 1 36 ARG HE 6.992 . 7.4 0.63 5.1723e-01 30149 1 1 1 1 36 ARG N 128.659 . 120.8 3.68 3.2712e-02 30149 1 1 1 1 36 ARG NE 112.981 A 84.63 1.68 6.8036e-64 30149 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 14 ARG CYS 0.4 30149 1 1 1 1 14 ARG ARG 0.37 30149 1 1 1 1 14 ARG LYS 0.13 30149 1 1 1 1 14 ARG GLY 0.05 30149 1 1 1 1 14 ARG LEU 0.03 30149 1 1 1 1 25 ARG CYS 0.38 30149 1 1 1 1 25 ARG ARG 0.38 30149 1 1 1 1 25 ARG LYS 0.21 30149 1 1 1 1 36 ARG CYS 0.43 30149 1 1 1 1 36 ARG ARG 0.43 30149 1 1 1 1 36 ARG LYS 0.08 30149 1 1 1 1 36 ARG GLY 0.05 30149 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30149 _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 30149 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30149 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30149 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30149 _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_