data_AVS_bmrb_pdb_report_34347 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34347 _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 27 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 34347 1 1 1 1 118 LEU Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 34347 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 34347 1 1 1 3 1 AZM UNSUPPORTED . . . . . . . 34347 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 27 ARG C 175.346 . 176.41 2.03 6.0018e-01 34347 1 1 1 1 27 ARG CA 52.814 . 56.77 2.31 8.6795e-02 34347 1 1 1 1 27 ARG CB 30.651 . 30.7 1.83 9.7864e-01 34347 1 1 1 1 27 ARG CG 25.766 . 27.21 1.2 2.2885e-01 34347 1 1 1 1 27 ARG CD 41.440 . 43.16 0.88 5.0637e-02 34347 1 1 1 1 27 ARG CZ 60.100 A 159.97 2.95 0.0000e+00 34347 1 1 1 1 27 ARG H 8.707 . 8.24 0.61 4.4393e-01 34347 1 1 1 1 27 ARG HA 4.146 . 4.3 0.46 7.3779e-01 34347 1 1 1 1 27 ARG HB2 2.283 . 1.79 0.27 6.7862e-02 34347 1 1 1 1 27 ARG HB3 2.283 . 1.76 0.28 6.1782e-02 34347 1 1 1 1 27 ARG HG2 1.787 . 1.57 0.27 4.2157e-01 34347 1 1 1 1 27 ARG HG3 1.787 . 1.54 0.29 3.9437e-01 34347 1 1 1 1 27 ARG N 120.989 . 120.8 3.68 9.5904e-01 34347 1 1 1 1 118 LEU C 170.442 S 176.99 1.98 9.4277e-04 34347 1 1 1 1 118 LEU CA 52.252 . 55.62 2.13 1.1383e-01 34347 1 1 1 1 118 LEU CB 42.246 . 42.31 1.88 9.7284e-01 34347 1 1 1 1 118 LEU CG 26.101 . 26.78 1.1 5.3705e-01 34347 1 1 1 1 118 LEU CD1 27.600 . 24.72 1.59 7.0091e-02 34347 1 1 1 1 118 LEU CD2 20.800 . 24.05 1.7 5.5906e-02 34347 1 1 1 1 118 LEU H 9.921 . 8.23 0.65 9.2807e-03 34347 1 1 1 1 118 LEU HA 4.303 . 4.32 0.47 9.7115e-01 34347 1 1 1 1 118 LEU HB2 3.369 A 1.61 0.34 2.2971e-07 34347 1 1 1 1 118 LEU HB3 3.369 A 1.52 0.36 2.8048e-07 34347 1 1 1 1 118 LEU HG 1.179 . 1.51 0.33 3.1585e-01 34347 1 1 1 1 118 LEU HD21 0.793 . 0.73 0.29 8.2802e-01 34347 1 1 1 1 118 LEU HD22 0.793 . 0.73 0.29 8.2802e-01 34347 1 1 1 1 118 LEU HD23 0.793 . 0.73 0.29 8.2802e-01 34347 1 1 1 1 118 LEU N 130.105 . 121.86 3.9 3.4507e-02 34347 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 27 ARG CYS 0.98 34347 1 1 1 1 27 ARG PRO 0.01 34347 1 1 1 1 118 LEU ALA 0.64 34347 1 1 1 1 118 LEU CYS 0.15 34347 1 1 1 1 118 LEU LEU 0.09 34347 1 1 1 1 118 LEU ARG 0.08 34347 1 1 1 1 118 LEU GLY 0.02 34347 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34347 _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 34347 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34347 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34347 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34347 _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_