data_AVS_bmrb_pdb_report_25798 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25798 _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 79 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25798 1 1 1 1 117 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25798 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 79 ARG C 176.257 . 176.41 2.03 9.3992e-01 25798 1 1 1 1 79 ARG CA 57.89 . 56.77 2.31 6.2778e-01 25798 1 1 1 1 79 ARG CB 31.087 . 30.7 1.83 8.3252e-01 25798 1 1 1 1 79 ARG CG 29.757 . 27.21 1.2 3.3796e-02 25798 1 1 1 1 79 ARG CD 42.309 . 43.16 0.88 3.3352e-01 25798 1 1 1 1 79 ARG H 7.975 . 8.24 0.61 6.6398e-01 25798 1 1 1 1 79 ARG HA 4.477 . 4.3 0.46 7.0040e-01 25798 1 1 1 1 79 ARG HB2 2.497 . 1.79 0.27 8.8312e-03 25798 1 1 1 1 79 ARG HB3 1.736 . 1.76 0.28 9.3169e-01 25798 1 1 1 1 79 ARG HG2 1.401 . 1.57 0.27 5.3136e-01 25798 1 1 1 1 79 ARG HG3 1.401 . 1.54 0.29 6.3172e-01 25798 1 1 1 1 79 ARG HD2 3.633 . 3.12 0.24 3.2557e-02 25798 1 1 1 1 79 ARG HD3 3.371 . 3.1 0.26 2.9727e-01 25798 1 1 1 1 79 ARG HE 6.67 . 7.4 0.63 2.4657e-01 25798 1 1 1 1 79 ARG HH11 6.163 . 6.91 0.46 1.0439e-01 25798 1 1 1 1 79 ARG HH12 10.273 A 6.8 0.33 6.6797e-26 25798 1 1 1 1 79 ARG HH21 6.54 . 6.81 0.48 5.7378e-01 25798 1 1 1 1 79 ARG HH22 9.601 S 6.76 0.36 2.9818e-15 25798 1 1 1 1 79 ARG N 118.159 . 120.8 3.68 4.7297e-01 25798 1 1 1 1 79 ARG NE 81.454 . 84.63 1.68 5.8695e-02 25798 1 1 1 1 117 TRP C 175.097 . 176.12 2.01 6.1078e-01 25798 1 1 1 1 117 TRP CA 57.118 . 57.66 2.58 8.3361e-01 25798 1 1 1 1 117 TRP CB 33.353 . 30.01 2.01 9.6276e-02 25798 1 1 1 1 117 TRP CD1 125.195 . 126.51 1.83 4.7240e-01 25798 1 1 1 1 117 TRP CE3 120.146 . 120.43 1.79 8.7394e-01 25798 1 1 1 1 117 TRP CZ2 112.598 . 114.26 1.12 1.3783e-01 25798 1 1 1 1 117 TRP CZ3 120.473 . 121.35 1.53 5.6651e-01 25798 1 1 1 1 117 TRP CH2 123.03 . 123.86 1.42 5.5888e-01 25798 1 1 1 1 117 TRP H 9.372 . 8.29 0.79 1.7081e-01 25798 1 1 1 1 117 TRP HA 4.528 . 4.68 0.53 7.7427e-01 25798 1 1 1 1 117 TRP HB2 2.648 . 3.19 0.35 1.2148e-01 25798 1 1 1 1 117 TRP HB3 2.623 . 3.12 0.36 1.6742e-01 25798 1 1 1 1 117 TRP HD1 4.606 A 7.14 0.36 1.9378e-12 25798 1 1 1 1 117 TRP HE1 8.187 . 10.08 0.66 4.1284e-03 25798 1 1 1 1 117 TRP HE3 7.119 . 7.31 0.41 6.4132e-01 25798 1 1 1 1 117 TRP HZ2 5.322 S 7.28 0.33 2.9685e-09 25798 1 1 1 1 117 TRP HZ3 6.497 . 6.86 0.4 3.6414e-01 25798 1 1 1 1 117 TRP HH2 5.302 S 6.98 0.39 1.6883e-05 25798 1 1 1 1 117 TRP N 123.964 . 121.68 4.18 5.8478e-01 25798 1 1 1 1 117 TRP NE1 126.462 . 129.32 2.11 1.7558e-01 25798 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 79 ARG CYS 0.49 25798 1 1 1 1 79 ARG LYS 0.38 25798 1 1 1 1 79 ARG ARG 0.11 25798 1 1 1 1 79 ARG GLY 0.01 25798 1 1 1 1 117 TRP CYS 0.69 25798 1 1 1 1 117 TRP TRP 0.3 25798 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25798 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 25798 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25798 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25798 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25798 _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_