data_AVS_bmrb_pdb_report_6658 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6658 _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 73 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6658 1 1 1 1 104 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6658 1 1 1 1 144 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6658 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 6658 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 73 ARG C 175.183 . 176.41 2.03 5.4556e-01 6658 1 1 1 1 73 ARG CA 58.955 . 56.77 2.31 3.4421e-01 6658 1 1 1 1 73 ARG CB 30.079 . 30.7 1.83 7.3435e-01 6658 1 1 1 1 73 ARG CG 27.038 . 27.21 1.2 8.8603e-01 6658 1 1 1 1 73 ARG CD 43.078 . 43.16 0.88 9.2576e-01 6658 1 1 1 1 73 ARG H 8.414 . 8.24 0.61 7.7546e-01 6658 1 1 1 1 73 ARG HA 3.661 . 4.3 0.46 1.6479e-01 6658 1 1 1 1 73 ARG HB3 1.378 . 1.76 0.28 1.7248e-01 6658 1 1 1 1 73 ARG HG2 0.852 . 1.57 0.27 7.8313e-03 6658 1 1 1 1 73 ARG HG3 1.11 . 1.54 0.29 1.3814e-01 6658 1 1 1 1 73 ARG HD3 2.862 . 3.1 0.26 3.5999e-01 6658 1 1 1 1 73 ARG HE 7.21 . 7.4 0.63 7.6297e-01 6658 1 1 1 1 73 ARG N 119.337 . 120.8 3.68 6.9096e-01 6658 1 1 1 1 73 ARG NE 116.837 A 84.63 1.68 6.4861e-82 6658 1 1 1 1 104 ARG C 176.398 . 176.41 2.03 9.9528e-01 6658 1 1 1 1 104 ARG CA 55.718 . 56.77 2.31 6.4881e-01 6658 1 1 1 1 104 ARG CB 32.648 . 30.7 1.83 2.8711e-01 6658 1 1 1 1 104 ARG H 8.166 . 8.24 0.61 9.0344e-01 6658 1 1 1 1 104 ARG HA 4.46 . 4.3 0.46 7.2797e-01 6658 1 1 1 1 104 ARG HB2 2.085 . 1.79 0.27 2.7457e-01 6658 1 1 1 1 104 ARG HB3 1.995 . 1.76 0.28 4.0131e-01 6658 1 1 1 1 104 ARG HD2 2.534 . 3.12 0.24 1.4620e-02 6658 1 1 1 1 104 ARG HD3 2.462 . 3.1 0.26 1.4134e-02 6658 1 1 1 1 104 ARG HE 7.503 . 7.4 0.63 8.7013e-01 6658 1 1 1 1 104 ARG HH11 7.763 . 6.91 0.46 6.3690e-02 6658 1 1 1 1 104 ARG HH21 7.077 . 6.81 0.48 5.7804e-01 6658 1 1 1 1 104 ARG N 124.04 . 120.8 3.68 3.7862e-01 6658 1 1 1 1 104 ARG NE 112.449 A 84.63 1.68 1.3803e-61 6658 1 1 1 1 104 ARG NH1 112.431 A 73.82 4.62 6.4138e-17 6658 1 1 1 1 104 ARG NH2 112.563 A 73.26 3.32 2.4756e-32 6658 1 1 1 1 144 HIS C 178.134 . 175.25 1.97 1.4320e-01 6658 1 1 1 1 144 HIS CA 59.306 . 56.52 2.31 2.2779e-01 6658 1 1 1 1 144 HIS CB 31.151 . 30.24 2.07 6.5987e-01 6658 1 1 1 1 144 HIS CD2 120.017 . 120.49 3.42 8.9000e-01 6658 1 1 1 1 144 HIS CE1 138.553 . 137.71 2.12 6.9089e-01 6658 1 1 1 1 144 HIS H 8.522 . 8.24 0.68 6.7836e-01 6658 1 1 1 1 144 HIS HA 4.617 . 4.61 0.43 9.8701e-01 6658 1 1 1 1 144 HIS HB2 3.315 . 3.1 0.36 5.5036e-01 6658 1 1 1 1 144 HIS HB3 3.056 . 3.04 0.38 9.6641e-01 6658 1 1 1 1 144 HIS HD2 7.038 . 7 0.43 9.2958e-01 6658 1 1 1 1 144 HIS HE1 7.407 . 7.95 0.48 2.5795e-01 6658 1 1 1 1 144 HIS N 119.699 . 119.69 4 9.9820e-01 6658 1 1 1 1 144 HIS ND1 236.63 A 195.02 18.51 2.4578e-02 6658 1 1 1 1 144 HIS NE2 174.016 . 182.41 14.4 5.5995e-01 6658 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 73 ARG CYS 0.44 6658 1 1 1 1 73 ARG ARG 0.44 6658 1 1 1 1 73 ARG LYS 0.05 6658 1 1 1 1 73 ARG GLY 0.04 6658 1 1 1 1 104 ARG MET 0.2 6658 1 1 1 1 104 ARG LYS 0.18 6658 1 1 1 1 104 ARG CYS 0.15 6658 1 1 1 1 104 ARG GLN 0.11 6658 1 1 1 1 104 ARG ARG 0.1 6658 1 1 1 1 104 ARG HIS 0.1 6658 1 1 1 1 104 ARG TRP 0.06 6658 1 1 1 1 104 ARG GLU 0.04 6658 1 1 1 1 104 ARG VAL 0.01 6658 1 1 1 1 144 HIS TRP 0.35 6658 1 1 1 1 144 HIS CYS 0.35 6658 1 1 1 1 144 HIS HIS 0.29 6658 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6658 _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 6658 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6658 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6658 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6658 _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_