data_AVS_bmrb_pdb_report_4109 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4109 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4109 1 1 1 1 32 ARG Anomalous Consistent Consistent Duplicate Anomalous Duplicate . . 4109 1 1 1 1 97 ARG Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4109 1 1 1 1 32 ARG C 174.180 . 176.49 2.16 2.8487e-01 4109 1 1 1 1 32 ARG CA 55.539 D 56.95 2.41 5.5823e-01 4109 1 1 1 1 32 ARG CB 34.097 D 30.66 1.77 5.2160e-02 4109 1 1 1 1 32 ARG CG 28.218 D 27.31 1.65 5.8211e-01 4109 1 1 1 1 32 ARG CD 43.900 D 43.1 1.1 4.6706e-01 4109 1 1 1 1 32 ARG CZ 157.517 M 159.01 0.87 8.6145e-02 4109 1 1 1 1 32 ARG H 9.413 D 8.24 0.6 5.0583e-02 4109 1 1 1 1 32 ARG HA 5.098 D 4.27 0.44 5.9861e-02 4109 1 1 1 1 32 ARG HB2 1.982 D 1.79 0.28 4.9289e-01 4109 1 1 1 1 32 ARG HB3 1.982 D 1.78 0.28 4.7065e-01 4109 1 1 1 1 32 ARG HG2 1.673 D 1.58 0.27 7.3051e-01 4109 1 1 1 1 32 ARG HG3 1.412 D 1.58 0.27 5.3380e-01 4109 1 1 1 1 32 ARG HD2 3.156 D 3.13 0.23 9.1000e-01 4109 1 1 1 1 32 ARG HD3 3.048 D 3.13 0.22 7.0935e-01 4109 1 1 1 1 32 ARG HE 7.234 . 7.32 0.52 8.6864e-01 4109 1 1 1 1 32 ARG N 128.751 D 120.61 3.9 3.6849e-02 4109 1 1 1 1 32 ARG NE 84.666 . 89.8 12.83 6.8904e-01 4109 1 1 1 1 97 ARG C 174.096 . 176.49 2.16 2.6772e-01 4109 1 1 1 1 97 ARG CA 53.940 D 56.95 2.41 2.1168e-01 4109 1 1 1 1 97 ARG CB 32.233 D 30.66 1.77 3.7416e-01 4109 1 1 1 1 97 ARG CG 26.892 D 27.31 1.65 8.0001e-01 4109 1 1 1 1 97 ARG CD 42.987 D 43.1 1.1 9.1818e-01 4109 1 1 1 1 97 ARG CZ 157.655 . 159.01 0.87 1.1936e-01 4109 1 1 1 1 97 ARG H 8.870 D 8.24 0.6 2.9372e-01 4109 1 1 1 1 97 ARG HA 4.447 D 4.27 0.44 6.8748e-01 4109 1 1 1 1 97 ARG HB2 1.079 D 1.79 0.28 1.1108e-02 4109 1 1 1 1 97 ARG HB3 -0.004 M 1.78 0.28 1.8728e-10 4109 1 1 1 1 97 ARG HG2 1.033 D 1.58 0.27 4.2772e-02 4109 1 1 1 1 97 ARG HG3 0.843 D 1.58 0.27 6.3406e-03 4109 1 1 1 1 97 ARG HD2 2.691 D 3.13 0.23 5.6301e-02 4109 1 1 1 1 97 ARG HD3 2.492 D 3.13 0.22 3.7316e-03 4109 1 1 1 1 97 ARG HE 7.145 . 7.32 0.52 7.3646e-01 4109 1 1 1 1 97 ARG N 129.101 D 120.61 3.9 2.9467e-02 4109 1 1 1 1 97 ARG NE 86.341 . 89.8 12.83 7.8747e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4109 1 1 1 1 32 ARG GLY 0.65 4109 1 1 1 1 32 ARG ARG 0.34 4109 1 1 1 1 97 ARG ARG 0.81 4109 1 1 1 1 97 ARG GLY 0.18 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4109 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4109 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4109 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4109 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4109 _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_