data_AVS_bmrb_pdb_report_15661 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15661 _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 23 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15661 1 1 1 1 67 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15661 1 1 1 1 77 HIS Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 15661 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 23 ARG C 172.157 . 176.49 2.16 4.4854e-02 15661 1 1 1 1 23 ARG CA 56.190 . 56.95 2.41 7.5249e-01 15661 1 1 1 1 23 ARG CB 31.230 . 30.66 1.77 7.4743e-01 15661 1 1 1 1 23 ARG CG 27.660 . 27.31 1.65 8.3201e-01 15661 1 1 1 1 23 ARG CD 43.450 . 43.1 1.1 7.5035e-01 15661 1 1 1 1 23 ARG H 7.467 . 8.24 0.6 1.9763e-01 15661 1 1 1 1 23 ARG HA 4.358 . 4.27 0.44 8.4148e-01 15661 1 1 1 1 23 ARG HB2 2.051 . 1.79 0.28 3.5126e-01 15661 1 1 1 1 23 ARG HB3 1.938 . 1.78 0.28 5.7256e-01 15661 1 1 1 1 23 ARG HG2 1.923 . 1.58 0.27 2.0395e-01 15661 1 1 1 1 23 ARG HG3 1.574 . 1.58 0.27 9.8227e-01 15661 1 1 1 1 23 ARG HD2 2.800 . 3.13 0.23 1.5135e-01 15661 1 1 1 1 23 ARG HD3 2.800 . 3.13 0.22 1.3361e-01 15661 1 1 1 1 23 ARG HE 9.749 S 7.32 0.52 2.9951e-06 15661 1 1 1 1 23 ARG HH11 8.199 S 6.74 0.31 2.5207e-06 15661 1 1 1 1 23 ARG HH21 11.352 A 6.72 0.32 1.7433e-47 15661 1 1 1 1 23 ARG N 120.418 . 120.61 3.9 9.6074e-01 15661 1 1 1 1 23 ARG NE 82.053 . 89.8 12.83 5.4596e-01 15661 1 1 1 1 23 ARG NH1 76.066 . 74.78 11.38 9.1003e-01 15661 1 1 1 1 67 ARG C 178.691 . 176.49 2.16 3.0821e-01 15661 1 1 1 1 67 ARG CA 60.930 . 56.95 2.41 9.8646e-02 15661 1 1 1 1 67 ARG CB 31.240 . 30.66 1.77 7.4315e-01 15661 1 1 1 1 67 ARG CG 27.350 . 27.31 1.65 9.8066e-01 15661 1 1 1 1 67 ARG CD 43.320 . 43.1 1.1 8.4148e-01 15661 1 1 1 1 67 ARG H 8.118 . 8.24 0.6 8.3887e-01 15661 1 1 1 1 67 ARG HA 4.141 . 4.27 0.44 7.6938e-01 15661 1 1 1 1 67 ARG HB2 2.073 . 1.79 0.28 3.1215e-01 15661 1 1 1 1 67 ARG HB3 2.026 . 1.78 0.28 3.7963e-01 15661 1 1 1 1 67 ARG HG2 1.742 . 1.58 0.27 5.4851e-01 15661 1 1 1 1 67 ARG HG3 1.742 . 1.58 0.27 5.4851e-01 15661 1 1 1 1 67 ARG HD2 3.336 . 3.13 0.23 3.7044e-01 15661 1 1 1 1 67 ARG HD3 3.262 . 3.13 0.22 5.4851e-01 15661 1 1 1 1 67 ARG HE 7.567 . 7.32 0.52 6.3479e-01 15661 1 1 1 1 67 ARG HH11 8.538 S 6.74 0.31 6.6315e-09 15661 1 1 1 1 67 ARG HH21 9.268 A 6.72 0.32 1.6860e-15 15661 1 1 1 1 67 ARG N 121.922 . 120.61 3.9 7.3656e-01 15661 1 1 1 1 67 ARG NE 80.004 . 89.8 12.83 4.4515e-01 15661 1 1 1 1 67 ARG NH1 87.074 . 74.78 11.38 2.8000e-01 15661 1 1 1 1 77 HIS C 181.596 A 175.19 2.14 2.7584e-03 15661 1 1 1 1 77 HIS CA 59.550 . 56.37 2.4 1.8517e-01 15661 1 1 1 1 77 HIS CB 30.720 . 29.95 2.15 7.2024e-01 15661 1 1 1 1 77 HIS CD2 116.957 . 119.84 3.3 3.8232e-01 15661 1 1 1 1 77 HIS CE1 135.343 . 136.05 3.58 8.4345e-01 15661 1 1 1 1 77 HIS H 9.450 . 8.25 0.74 1.0488e-01 15661 1 1 1 1 77 HIS HA 5.148 . 4.62 0.51 3.0053e-01 15661 1 1 1 1 77 HIS HB2 3.187 . 3.12 0.43 8.7618e-01 15661 1 1 1 1 77 HIS HB3 2.988 . 3.11 0.45 7.8631e-01 15661 1 1 1 1 77 HIS HD2 7.216 . 7.08 0.5 7.8562e-01 15661 1 1 1 1 77 HIS HE1 5.296 S 8.08 0.57 1.0384e-06 15661 1 1 1 1 77 HIS N 123.245 . 119.44 4.52 3.9989e-01 15661 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 23 ARG ARG 0.41 15661 1 1 1 1 23 ARG CYS 0.35 15661 1 1 1 1 23 ARG LYS 0.15 15661 1 1 1 1 23 ARG GLY 0.07 15661 1 1 1 1 67 ARG ARG 0.41 15661 1 1 1 1 67 ARG CYS 0.38 15661 1 1 1 1 67 ARG GLY 0.11 15661 1 1 1 1 67 ARG LYS 0.07 15661 1 1 1 1 77 HIS CYS 0.54 15661 1 1 1 1 77 HIS HIS 0.45 15661 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15661 _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 15661 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15661 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15661 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15661 _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_