data_AVS_bmrb_pdb_report_10012 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10012 _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 39 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 10012 1 1 1 1 43 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE > HA" 0.9911 10012 1 1 1 1 43 ARG . . . . . . "HE > HD2" 0.9992 10012 1 1 1 1 43 ARG . . . . . . "HE > HD3" 0.9992 10012 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 39 GLY C 174.7 . 174.04 1.94 7.3370e-01 10012 1 1 1 1 39 GLY CA 45.67 . 45.33 1.42 8.1077e-01 10012 1 1 1 1 39 GLY H 8.529 . 8.34 0.74 7.9841e-01 10012 1 1 1 1 39 GLY HA2 4.031 . 3.95 0.4 8.3953e-01 10012 1 1 1 1 39 GLY HA3 4.031 . 3.93 0.4 8.0065e-01 10012 1 1 1 1 39 GLY N 11.09 A 109.91 4.29 0.0000e+00 10012 1 1 1 1 43 ARG C 176.6 . 176.49 2.16 9.5938e-01 10012 1 1 1 1 43 ARG CA 56.45 . 56.95 2.41 8.3564e-01 10012 1 1 1 1 43 ARG CB 30.88 . 30.66 1.77 9.0108e-01 10012 1 1 1 1 43 ARG CG 27.23 . 27.31 1.65 9.6133e-01 10012 1 1 1 1 43 ARG CD 43.47 . 43.1 1.1 7.3660e-01 10012 1 1 1 1 43 ARG H 8.055 . 8.24 0.6 7.5783e-01 10012 1 1 1 1 43 ARG HA 4.327 . 4.27 0.44 8.9693e-01 10012 1 1 1 1 43 ARG HB2 1.811 . 1.79 0.28 9.4021e-01 10012 1 1 1 1 43 ARG HB3 1.811 . 1.78 0.28 9.1184e-01 10012 1 1 1 1 43 ARG HG2 1.655 . 1.58 0.27 7.8118e-01 10012 1 1 1 1 43 ARG HG3 1.655 . 1.58 0.27 7.8118e-01 10012 1 1 1 1 43 ARG HD2 3.206 . 3.13 0.23 7.4107e-01 10012 1 1 1 1 43 ARG HD3 3.206 . 3.13 0.22 7.2975e-01 10012 1 1 1 1 43 ARG HE 3.028 A 7.32 0.52 1.5338e-16 10012 1 1 1 1 43 ARG N 120.5 . 120.61 3.9 9.7750e-01 10012 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 39 GLY GLY 0.88 10012 1 1 1 1 39 GLY LEU 0.08 10012 1 1 1 1 39 GLY ARG 0.02 10012 1 1 1 1 43 ARG ARG 0.68 10012 1 1 1 1 43 ARG LYS 0.17 10012 1 1 1 1 43 ARG GLY 0.13 10012 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10012 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 10012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10012 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10012 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10012 _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_