data_AVS_bmrb_pdb_report_6865 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6865 _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 6865 1 1 1 1 25 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6865 1 1 1 1 27 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 6865 1 1 1 1 27 ARG . . . . . . "HD2 > HB3" 0.9951 6865 1 1 1 1 27 ARG . . . . . . "HD2 > HG2" 0.9976 6865 1 1 1 1 27 ARG . . . . . . "HD2 > HG3" 0.9983 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 6865 1 1 1 1 25 ARG CA 53.499 . 56.95 2.41 1.5216e-01 6865 1 1 1 1 25 ARG CB 32.178 . 30.66 1.77 3.9110e-01 6865 1 1 1 1 25 ARG CG 24.003 . 27.31 1.65 4.5044e-02 6865 1 1 1 1 25 ARG CD 41.555 . 43.1 1.1 1.6016e-01 6865 1 1 1 1 25 ARG H 8.602 . 8.24 0.6 5.4629e-01 6865 1 1 1 1 25 ARG HA 4.630 . 4.27 0.44 4.1325e-01 6865 1 1 1 1 25 ARG HB2 0.619 S 1.79 0.28 2.8877e-05 6865 1 1 1 1 25 ARG HB3 0.817 S 1.78 0.28 5.8325e-04 6865 1 1 1 1 25 ARG HG2 0.258 S 1.58 0.27 9.7660e-07 6865 1 1 1 1 25 ARG HG3 0.168 S 1.58 0.27 1.6985e-07 6865 1 1 1 1 25 ARG HD2 1.059 M 3.13 0.23 2.1695e-19 6865 1 1 1 1 25 ARG HD3 0.824 M 3.13 0.22 1.0471e-25 6865 1 1 1 1 25 ARG N 120.516 . 120.61 3.9 9.8077e-01 6865 1 1 1 1 27 ARG CA 53.346 . 56.95 2.41 1.3480e-01 6865 1 1 1 1 27 ARG CB 32.351 . 30.66 1.77 3.3939e-01 6865 1 1 1 1 27 ARG CG 23.120 . 27.31 1.65 1.1104e-02 6865 1 1 1 1 27 ARG CD 42.008 . 43.1 1.1 3.2084e-01 6865 1 1 1 1 27 ARG H 8.050 . 8.24 0.6 7.5150e-01 6865 1 1 1 1 27 ARG HA 4.510 . 4.27 0.44 5.8544e-01 6865 1 1 1 1 27 ARG HB2 1.195 . 1.79 0.28 3.3587e-02 6865 1 1 1 1 27 ARG HB3 1.142 . 1.78 0.28 2.2693e-02 6865 1 1 1 1 27 ARG HG2 0.766 . 1.58 0.27 2.5714e-03 6865 1 1 1 1 27 ARG HG3 0.505 S 1.58 0.27 6.8487e-05 6865 1 1 1 1 27 ARG HD2 0.271 M 3.13 0.23 1.7866e-35 6865 1 1 1 1 27 ARG HD3 1.780 S 3.13 0.22 8.4432e-10 6865 1 1 1 1 27 ARG HE 5.952 . 7.32 0.52 8.5192e-03 6865 1 1 1 1 27 ARG N 113.848 . 120.61 3.9 8.2945e-02 6865 1 1 1 1 27 ARG NE 112.640 . 89.8 12.83 7.5043e-02 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 6865 1 1 1 1 25 ARG LYS 0.49 6865 1 1 1 1 25 ARG CYS 0.42 6865 1 1 1 1 25 ARG ARG 0.05 6865 1 1 1 1 25 ARG ALA 0.01 6865 1 1 1 1 27 ARG CYS 0.49 6865 1 1 1 1 27 ARG LYS 0.37 6865 1 1 1 1 27 ARG ALA 0.07 6865 1 1 1 1 27 ARG ARG 0.03 6865 1 1 1 1 27 ARG GLY 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6865 _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 6865 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 6865 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6865 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6865 _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_