data_AVS_bmrb_pdb_report_5663 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5663 _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 5663 1 1 1 1 12 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 5663 1 1 1 1 30 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5663 1 1 1 1 72 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 5663 1 1 1 1 12 ARG C 176.47 . 176.49 2.16 9.9261e-01 5663 1 1 1 1 12 ARG CA 55.42 . 56.95 2.41 5.2552e-01 5663 1 1 1 1 12 ARG CB 41.0 M 30.66 1.77 5.1637e-09 5663 1 1 1 1 12 ARG H 8.22 . 8.24 0.6 9.7341e-01 5663 1 1 1 1 12 ARG HA 3.73 . 4.27 0.44 2.1972e-01 5663 1 1 1 1 12 ARG HB2 1.7 . 1.79 0.28 7.4789e-01 5663 1 1 1 1 12 ARG HB3 1.9 . 1.78 0.28 6.6823e-01 5663 1 1 1 1 12 ARG HG2 1.47 . 1.58 0.27 6.8371e-01 5663 1 1 1 1 12 ARG HG3 1.43 . 1.58 0.27 5.7851e-01 5663 1 1 1 1 12 ARG HD2 3.23 . 3.13 0.23 6.6372e-01 5663 1 1 1 1 12 ARG HD3 3.0 . 3.13 0.22 5.5458e-01 5663 1 1 1 1 12 ARG N 120.85 . 120.61 3.9 9.5093e-01 5663 1 1 1 1 30 ASP C 179.43 . 176.41 1.77 8.7968e-02 5663 1 1 1 1 30 ASP CA 61.09 M 54.52 2.1 1.7566e-03 5663 1 1 1 1 30 ASP CB 39.49 . 40.7 1.67 4.6873e-01 5663 1 1 1 1 30 ASP H 8.4 . 8.33 0.57 9.0226e-01 5663 1 1 1 1 30 ASP HA 4.5 . 4.61 0.31 7.2271e-01 5663 1 1 1 1 30 ASP HB2 2.9 . 2.74 0.29 5.8114e-01 5663 1 1 1 1 30 ASP HB3 2.06 . 2.7 0.29 2.7321e-02 5663 1 1 1 1 30 ASP N 119.45 . 120.73 4.2 7.6055e-01 5663 1 1 1 1 72 ILE C 179.43 . 175.82 1.95 6.4129e-02 5663 1 1 1 1 72 ILE CA 65.64 . 61.59 2.78 1.4516e-01 5663 1 1 1 1 72 ILE CB 39.49 . 38.58 2.09 6.6327e-01 5663 1 1 1 1 72 ILE H 8.4 . 8.26 0.71 8.4368e-01 5663 1 1 1 1 72 ILE HA 3.26 . 4.2 0.56 9.3236e-02 5663 1 1 1 1 72 ILE HB 2.31 . 1.8 0.31 9.9937e-02 5663 1 1 1 1 72 ILE HG2 2.01 M 0.8 0.29 3.0139e-05 5663 1 1 1 1 72 ILE HG12 1.05 . 1.3 0.4 5.3197e-01 5663 1 1 1 1 72 ILE HG13 2.05 . 1.24 0.4 4.2867e-02 5663 1 1 1 1 72 ILE HD1 0.81 . 0.7 0.3 7.1387e-01 5663 1 1 1 1 72 ILE N 119.45 . 121.6 4.72 6.4874e-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 5663 1 1 1 1 12 ARG ASP 0.22 5663 1 1 1 1 12 ARG LEU 0.18 5663 1 1 1 1 12 ARG LYS 0.14 5663 1 1 1 1 12 ARG PHE 0.12 5663 1 1 1 1 12 ARG CYS 0.12 5663 1 1 1 1 12 ARG TYR 0.1 5663 1 1 1 1 12 ARG ASN 0.06 5663 1 1 1 1 12 ARG ILE 0.01 5663 1 1 1 1 30 ASP ILE 0.36 5663 1 1 1 1 30 ASP PHE 0.23 5663 1 1 1 1 30 ASP TYR 0.2 5663 1 1 1 1 30 ASP CYS 0.16 5663 1 1 1 1 72 ILE ILE 0.79 5663 1 1 1 1 72 ILE CYS 0.1 5663 1 1 1 1 72 ILE PHE 0.06 5663 1 1 1 1 72 ILE TYR 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5663 _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 5663 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 5663 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5663 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5663 _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_