data_AVS_bmrb_pdb_report_6247 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6247 _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 6247 1 1 1 1 17 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 6247 1 1 1 1 41 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 6247 1 1 1 1 61 ARG Anomalous Suspicious Consistent Consistent 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 6247 1 1 1 1 17 ARG C 175.260 . 176.49 2.16 5.6905e-01 6247 1 1 1 1 17 ARG CA 62.489 . 56.95 2.41 2.1542e-02 6247 1 1 1 1 17 ARG CB 28.254 . 30.66 1.77 1.7404e-01 6247 1 1 1 1 17 ARG CG 31.278 . 27.31 1.65 1.6179e-02 6247 1 1 1 1 17 ARG CD 43.047 . 43.1 1.1 9.6157e-01 6247 1 1 1 1 17 ARG CZ 172.499 M 159.01 0.87 3.2293e-54 6247 1 1 1 1 17 ARG H 8.093 . 8.24 0.6 8.0646e-01 6247 1 1 1 1 17 ARG HA 3.948 . 4.27 0.44 4.6428e-01 6247 1 1 1 1 17 ARG HB2 1.927 . 1.79 0.28 6.2464e-01 6247 1 1 1 1 17 ARG HB3 2.022 . 1.78 0.28 3.8743e-01 6247 1 1 1 1 17 ARG HG2 1.658 . 1.58 0.27 7.7267e-01 6247 1 1 1 1 17 ARG HG3 2.026 . 1.58 0.27 9.8565e-02 6247 1 1 1 1 17 ARG HD2 3.355 . 3.13 0.23 3.2795e-01 6247 1 1 1 1 17 ARG HE 7.154 . 7.32 0.52 7.4955e-01 6247 1 1 1 1 17 ARG N 119.824 . 120.61 3.9 8.4028e-01 6247 1 1 1 1 17 ARG NE 118.913 . 89.8 12.83 2.3260e-02 6247 1 1 1 1 41 ARG C 174.526 . 176.49 2.16 3.6321e-01 6247 1 1 1 1 41 ARG CA 54.326 . 56.95 2.41 2.7624e-01 6247 1 1 1 1 41 ARG CB 32.492 . 30.66 1.77 3.0066e-01 6247 1 1 1 1 41 ARG CG 27.475 . 27.31 1.65 9.2034e-01 6247 1 1 1 1 41 ARG CD 43.135 . 43.1 1.1 9.7462e-01 6247 1 1 1 1 41 ARG CZ 172.551 M 159.01 0.87 1.2712e-54 6247 1 1 1 1 41 ARG H 9.456 . 8.24 0.6 4.2697e-02 6247 1 1 1 1 41 ARG HA 4.990 . 4.27 0.44 1.0176e-01 6247 1 1 1 1 41 ARG HB2 1.530 . 1.79 0.28 3.5311e-01 6247 1 1 1 1 41 ARG HB3 1.752 . 1.78 0.28 9.2034e-01 6247 1 1 1 1 41 ARG HG2 1.368 . 1.58 0.27 4.3235e-01 6247 1 1 1 1 41 ARG HG3 1.476 . 1.58 0.27 7.0010e-01 6247 1 1 1 1 41 ARG HD2 3.131 . 3.13 0.23 9.9653e-01 6247 1 1 1 1 41 ARG HD3 3.041 . 3.13 0.22 6.8581e-01 6247 1 1 1 1 41 ARG HE 7.344 . 7.32 0.52 9.6319e-01 6247 1 1 1 1 41 ARG N 125.218 . 120.61 3.9 2.3739e-01 6247 1 1 1 1 41 ARG NE 118.145 . 89.8 12.83 2.7156e-02 6247 1 1 1 1 61 ARG C 177.932 . 176.49 2.16 5.0439e-01 6247 1 1 1 1 61 ARG CA 59.113 . 56.95 2.41 3.6945e-01 6247 1 1 1 1 61 ARG CB 29.457 . 30.66 1.77 4.9672e-01 6247 1 1 1 1 61 ARG CG 29.056 . 27.31 1.65 2.8997e-01 6247 1 1 1 1 61 ARG CD 43.163 . 43.1 1.1 9.5433e-01 6247 1 1 1 1 61 ARG CZ 172.975 M 159.01 0.87 5.5598e-58 6247 1 1 1 1 61 ARG H 7.446 . 8.24 0.6 1.8572e-01 6247 1 1 1 1 61 ARG HA 3.953 . 4.27 0.44 4.7125e-01 6247 1 1 1 1 61 ARG HB2 1.729 . 1.79 0.28 8.2754e-01 6247 1 1 1 1 61 ARG HB3 1.891 . 1.78 0.28 6.9179e-01 6247 1 1 1 1 61 ARG HG2 1.360 . 1.58 0.27 4.1518e-01 6247 1 1 1 1 61 ARG HG3 1.891 . 1.58 0.27 2.4938e-01 6247 1 1 1 1 61 ARG HD2 3.069 . 3.13 0.23 7.9084e-01 6247 1 1 1 1 61 ARG HE 6.786 . 7.32 0.52 3.0446e-01 6247 1 1 1 1 61 ARG N 113.865 . 120.61 3.9 8.3722e-02 6247 1 1 1 1 61 ARG NE 118.931 . 89.8 12.83 2.3175e-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 6247 1 1 1 1 17 ARG GLY 0.99 6247 1 1 1 1 41 ARG GLY 0.98 6247 1 1 1 1 61 ARG GLY 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6247 _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 6247 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 6247 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6247 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6247 _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_