data_AVS_bmrb_pdb_report_5056 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5056 _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 47 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5056 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 47 ARG C 173.31 . 176.41 2.03 1.2674e-01 5056 1 1 1 1 47 ARG CA 54.236 . 56.77 2.31 2.7265e-01 5056 1 1 1 1 47 ARG CB 33.447 . 30.7 1.83 1.3333e-01 5056 1 1 1 1 47 ARG CG 26.422 . 27.21 1.2 5.1140e-01 5056 1 1 1 1 47 ARG CD 43.332 . 43.16 0.88 8.4504e-01 5056 1 1 1 1 47 ARG H 9.670 . 8.24 0.61 1.9065e-02 5056 1 1 1 1 47 ARG HA 4.696 . 4.3 0.46 3.8931e-01 5056 1 1 1 1 47 ARG HB2 1.899 . 1.79 0.27 6.8643e-01 5056 1 1 1 1 47 ARG HB3 1.693 . 1.76 0.28 8.1088e-01 5056 1 1 1 1 47 ARG HG2 1.527 . 1.57 0.27 8.7346e-01 5056 1 1 1 1 47 ARG HG3 1.53 . 1.54 0.29 9.7249e-01 5056 1 1 1 1 47 ARG HD2 3.186 . 3.12 0.24 7.8332e-01 5056 1 1 1 1 47 ARG HD3 3.063 . 3.1 0.26 8.8684e-01 5056 1 1 1 1 47 ARG HE 7.335 . 7.4 0.63 9.1782e-01 5056 1 1 1 1 47 ARG N 121.86 . 120.8 3.68 7.7331e-01 5056 1 1 1 1 47 ARG NE 124.06 A 84.63 1.68 0.0000e+00 5056 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 47 ARG CYS 0.39 5056 1 1 1 1 47 ARG ARG 0.35 5056 1 1 1 1 47 ARG LYS 0.13 5056 1 1 1 1 47 ARG GLY 0.11 5056 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5056 _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 5056 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5056 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5056 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5056 _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_