data_AVS_bmrb_pdb_report_11042 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11042 _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 41 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11042 1 1 1 1 56 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11042 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 41 ARG C 176.750 . 176.49 2.16 9.0419e-01 11042 1 1 1 1 41 ARG CA 56.231 . 56.95 2.41 7.6544e-01 11042 1 1 1 1 41 ARG CB 28.519 . 30.66 1.77 2.2643e-01 11042 1 1 1 1 41 ARG CG 27.981 . 27.31 1.65 6.8425e-01 11042 1 1 1 1 41 ARG CD 42.996 . 43.1 1.1 9.2468e-01 11042 1 1 1 1 41 ARG H 7.735 . 8.24 0.6 3.9997e-01 11042 1 1 1 1 41 ARG HA 3.737 . 4.27 0.44 2.2576e-01 11042 1 1 1 1 41 ARG HB2 1.432 . 1.79 0.28 2.0105e-01 11042 1 1 1 1 41 ARG HB3 1.252 . 1.78 0.28 5.9334e-02 11042 1 1 1 1 41 ARG HG2 0.626 S 1.58 0.27 4.1035e-04 11042 1 1 1 1 41 ARG HG3 -1.075 A 1.58 0.27 8.0896e-23 11042 1 1 1 1 41 ARG HD2 2.555 . 3.13 0.23 1.2419e-02 11042 1 1 1 1 41 ARG HD3 2.782 . 3.13 0.22 1.1369e-01 11042 1 1 1 1 41 ARG HE 6.881 . 7.32 0.52 3.9854e-01 11042 1 1 1 1 41 ARG N 116.847 . 120.61 3.9 3.3461e-01 11042 1 1 1 1 41 ARG NE 83.634 . 89.8 12.83 6.3081e-01 11042 1 1 1 1 56 TRP C 173.031 . 176.1 1.89 1.0442e-01 11042 1 1 1 1 56 TRP CA 56.764 . 57.71 2.65 7.2111e-01 11042 1 1 1 1 56 TRP CB 36.136 . 30.16 2.19 6.3572e-03 11042 1 1 1 1 56 TRP CD1 126.475 . 126.16 1.76 8.5796e-01 11042 1 1 1 1 56 TRP CE3 119.389 . 120.38 1.5 5.0883e-01 11042 1 1 1 1 56 TRP CZ2 114.855 . 114.19 1.09 5.4180e-01 11042 1 1 1 1 56 TRP CZ3 121.252 . 121.57 1.76 8.5662e-01 11042 1 1 1 1 56 TRP CH2 123.671 . 123.75 1.34 9.5299e-01 11042 1 1 1 1 56 TRP H 9.715 . 8.35 0.84 1.0416e-01 11042 1 1 1 1 56 TRP HA 4.695 . 4.74 0.55 9.3479e-01 11042 1 1 1 1 56 TRP HB2 3.008 . 3.22 0.36 5.5594e-01 11042 1 1 1 1 56 TRP HB3 2.569 . 3.18 0.36 8.9655e-02 11042 1 1 1 1 56 TRP HD1 5.523 A 7.16 0.34 1.4742e-06 11042 1 1 1 1 56 TRP HE1 10.715 . 10.13 0.53 2.6969e-01 11042 1 1 1 1 56 TRP HE3 7.509 . 7.17 1.03 7.4206e-01 11042 1 1 1 1 56 TRP HZ2 7.313 . 7.14 0.89 8.4588e-01 11042 1 1 1 1 56 TRP HZ3 7.158 . 6.68 1.02 6.3934e-01 11042 1 1 1 1 56 TRP HH2 7.205 . 6.82 0.94 6.8212e-01 11042 1 1 1 1 56 TRP N 127.002 . 121.87 4.58 2.6249e-01 11042 1 1 1 1 56 TRP NE1 129.978 . 129.48 2.56 8.4576e-01 11042 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 41 ARG ARG 0.41 11042 1 1 1 1 41 ARG CYS 0.35 11042 1 1 1 1 41 ARG LEU 0.11 11042 1 1 1 1 41 ARG LYS 0.06 11042 1 1 1 1 41 ARG GLY 0.05 11042 1 1 1 1 56 TRP CYS 0.79 11042 1 1 1 1 56 TRP TRP 0.2 11042 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11042 _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 11042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11042 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11042 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11042 _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_