data_AVS_bmrb_pdb_report_6999 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6999 _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 6999 1 1 1 1 48 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6999 1 1 1 1 89 TRP Anomalous Consistent Consistent Suspicious Anomalous 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 6999 1 1 1 1 48 ARG C 180.372 . 176.49 2.16 7.2300e-02 6999 1 1 1 1 48 ARG CA 58.985 . 56.95 2.41 3.9845e-01 6999 1 1 1 1 48 ARG CB 29.174 . 30.66 1.77 4.0116e-01 6999 1 1 1 1 48 ARG CG 27.447 . 27.31 1.65 9.3383e-01 6999 1 1 1 1 48 ARG CD 42.922 . 43.1 1.1 8.7145e-01 6999 1 1 1 1 48 ARG H 8.996 . 8.24 0.6 2.0767e-01 6999 1 1 1 1 48 ARG HA 3.891 . 4.27 0.44 3.8904e-01 6999 1 1 1 1 48 ARG HB2 1.850 . 1.79 0.28 8.3032e-01 6999 1 1 1 1 48 ARG HB3 1.879 . 1.78 0.28 7.2366e-01 6999 1 1 1 1 48 ARG HG2 1.611 . 1.58 0.27 9.0859e-01 6999 1 1 1 1 48 ARG HD2 3.232 . 3.13 0.23 6.5742e-01 6999 1 1 1 1 48 ARG HD3 3.184 . 3.13 0.22 8.0610e-01 6999 1 1 1 1 48 ARG HE 7.108 . 7.32 0.52 6.8350e-01 6999 1 1 1 1 48 ARG N 120.243 . 120.61 3.9 9.2503e-01 6999 1 1 1 1 48 ARG NE 131.033 M 89.8 12.83 1.3099e-03 6999 1 1 1 1 89 TRP C 181.112 M 176.1 1.89 8.0052e-03 6999 1 1 1 1 89 TRP CA 57.636 . 57.71 2.65 9.7772e-01 6999 1 1 1 1 89 TRP CB 29.356 . 30.16 2.19 7.1353e-01 6999 1 1 1 1 89 TRP CE3 120.777 . 120.38 1.5 7.9127e-01 6999 1 1 1 1 89 TRP CZ2 114.238 . 114.19 1.09 9.6488e-01 6999 1 1 1 1 89 TRP CZ3 119.052 . 121.57 1.76 1.5252e-01 6999 1 1 1 1 89 TRP CH2 125.261 . 123.75 1.34 2.5948e-01 6999 1 1 1 1 89 TRP H 8.882 . 8.35 0.84 5.2652e-01 6999 1 1 1 1 89 TRP HA 4.749 . 4.74 0.55 9.8694e-01 6999 1 1 1 1 89 TRP HB3 1.985 S 3.18 0.36 9.0197e-04 6999 1 1 1 1 89 TRP HD1 7.133 . 7.16 0.34 9.3671e-01 6999 1 1 1 1 89 TRP HE1 9.853 . 10.13 0.53 6.0122e-01 6999 1 1 1 1 89 TRP HE3 6.503 . 7.17 1.03 5.1726e-01 6999 1 1 1 1 89 TRP HZ2 7.468 . 7.14 0.89 7.1247e-01 6999 1 1 1 1 89 TRP HZ3 6.875 . 6.68 1.02 8.4839e-01 6999 1 1 1 1 89 TRP HH2 6.859 . 6.82 0.94 9.6691e-01 6999 1 1 1 1 89 TRP N 121.555 . 121.87 4.58 9.4517e-01 6999 1 1 1 1 89 TRP NE1 126.134 . 129.48 2.56 1.9120e-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 6999 1 1 1 1 48 ARG ARG 0.7 6999 1 1 1 1 48 ARG LYS 0.16 6999 1 1 1 1 48 ARG GLY 0.07 6999 1 1 1 1 48 ARG LEU 0.06 6999 1 1 1 1 89 TRP TRP 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6999 _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 6999 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 6999 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6999 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6999 _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_