data_AVS_bmrb_pdb_report_28074 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 28074 _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 Consistent Consistent Consistent Consistent Anomalous . . 28074 1 1 1 1 48 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 28074 1 1 1 1 49 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 28074 1 1 1 2 5 PTR UNSUPPORTED . . . . . . . 28074 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 CA 54.067 . 56.77 2.31 2.4195e-01 28074 1 1 1 1 34 ARG CB 30.083 . 30.7 1.83 7.3600e-01 28074 1 1 1 1 34 ARG CG 26.126 . 27.21 1.2 3.6635e-01 28074 1 1 1 1 34 ARG CD 44.123 . 43.16 0.88 2.7382e-01 28074 1 1 1 1 34 ARG H 9.219 . 8.24 0.61 1.0851e-01 28074 1 1 1 1 34 ARG HA 5.103 . 4.3 0.46 8.0871e-02 28074 1 1 1 1 34 ARG HB2 1.981 . 1.79 0.27 4.7931e-01 28074 1 1 1 1 34 ARG HB3 1.686 . 1.76 0.28 7.9156e-01 28074 1 1 1 1 34 ARG HG2 1.509 . 1.57 0.27 8.2126e-01 28074 1 1 1 1 34 ARG HG3 1.604 . 1.54 0.29 8.2533e-01 28074 1 1 1 1 34 ARG HD2 3.025 . 3.12 0.24 6.9223e-01 28074 1 1 1 1 34 ARG HD3 2.568 . 3.1 0.26 4.0741e-02 28074 1 1 1 1 34 ARG HE 6.897 . 7.4 0.63 4.2463e-01 28074 1 1 1 1 34 ARG N 117.343 . 120.8 3.68 3.4752e-01 28074 1 1 1 1 34 ARG NE 106.091 A 84.63 1.68 2.2788e-37 28074 1 1 1 1 48 ARG C 175.550 . 176.41 2.03 6.7182e-01 28074 1 1 1 1 48 ARG CA 54.761 . 56.77 2.31 3.8447e-01 28074 1 1 1 1 48 ARG CB 31.854 . 30.7 1.83 5.2830e-01 28074 1 1 1 1 48 ARG CG 26.962 . 27.21 1.2 8.3627e-01 28074 1 1 1 1 48 ARG CD 43.875 . 43.16 0.88 4.1651e-01 28074 1 1 1 1 48 ARG H 9.221 . 8.24 0.61 1.0779e-01 28074 1 1 1 1 48 ARG HA 5.238 . 4.3 0.46 4.1437e-02 28074 1 1 1 1 48 ARG HB2 2.277 . 1.79 0.27 7.1278e-02 28074 1 1 1 1 48 ARG HB3 1.355 . 1.76 0.28 1.4806e-01 28074 1 1 1 1 48 ARG HG2 1.522 . 1.57 0.27 8.5890e-01 28074 1 1 1 1 48 ARG HG3 1.810 . 1.54 0.29 3.5184e-01 28074 1 1 1 1 48 ARG HD2 2.632 . 3.12 0.24 4.2019e-02 28074 1 1 1 1 48 ARG HD3 2.702 . 3.1 0.26 1.2583e-01 28074 1 1 1 1 48 ARG HE 7.292 . 7.4 0.63 8.6389e-01 28074 1 1 1 1 48 ARG N 127.495 . 120.8 3.68 6.8867e-02 28074 1 1 1 1 48 ARG NE 107.384 A 84.63 1.68 8.5921e-42 28074 1 1 1 1 49 ARG C 174.929 . 176.41 2.03 4.6566e-01 28074 1 1 1 1 49 ARG CA 55.391 . 56.77 2.31 5.5053e-01 28074 1 1 1 1 49 ARG CB 32.045 . 30.7 1.83 4.6236e-01 28074 1 1 1 1 49 ARG CG 26.135 . 27.21 1.2 3.7034e-01 28074 1 1 1 1 49 ARG CD 43.727 . 43.16 0.88 5.1937e-01 28074 1 1 1 1 49 ARG H 9.462 . 8.24 0.61 4.5147e-02 28074 1 1 1 1 49 ARG HA 4.643 . 4.3 0.46 4.5588e-01 28074 1 1 1 1 49 ARG HB2 1.793 . 1.79 0.27 9.9113e-01 28074 1 1 1 1 49 ARG HB3 1.968 . 1.76 0.28 4.5757e-01 28074 1 1 1 1 49 ARG HG2 1.496 . 1.57 0.27 7.8403e-01 28074 1 1 1 1 49 ARG HG3 1.703 . 1.54 0.29 5.7407e-01 28074 1 1 1 1 49 ARG HD2 3.030 . 3.12 0.24 7.0766e-01 28074 1 1 1 1 49 ARG HD3 3.187 . 3.1 0.26 7.3792e-01 28074 1 1 1 1 49 ARG HE 7.622 . 7.4 0.63 7.2455e-01 28074 1 1 1 1 49 ARG HH11 6.782 . 6.91 0.46 7.8081e-01 28074 1 1 1 1 49 ARG N 130.390 . 120.8 3.68 9.1612e-03 28074 1 1 1 1 49 ARG NE 107.946 A 84.63 1.68 8.5430e-44 28074 1 1 1 1 49 ARG NH1 119.079 A 73.82 4.62 1.1676e-22 28074 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 34 ARG ARG 0.36 28074 1 1 1 1 34 ARG CYS 0.31 28074 1 1 1 1 34 ARG GLY 0.27 28074 1 1 1 1 34 ARG LEU 0.01 28074 1 1 1 1 34 ARG LYS 0.01 28074 1 1 1 1 48 ARG ARG 0.46 28074 1 1 1 1 48 ARG CYS 0.34 28074 1 1 1 1 48 ARG GLY 0.16 28074 1 1 1 1 48 ARG LYS 0.02 28074 1 1 1 1 49 ARG ARG 0.4 28074 1 1 1 1 49 ARG CYS 0.38 28074 1 1 1 1 49 ARG GLY 0.12 28074 1 1 1 1 49 ARG LYS 0.07 28074 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 28074 _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 28074 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 28074 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 28074 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 28074 _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_