data_AVS_bmrb_pdb_report_17534 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17534 _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 67 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17534 1 1 1 1 86 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17534 1 1 1 1 88 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 17534 1 1 1 1 119 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17534 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 67 ARG C 178.072 . 176.41 2.03 4.1295e-01 17534 1 1 1 1 67 ARG CA 56.394 . 56.77 2.31 8.7070e-01 17534 1 1 1 1 67 ARG CB 32.242 . 30.7 1.83 3.9944e-01 17534 1 1 1 1 67 ARG CG 28.472 . 27.21 1.2 2.9295e-01 17534 1 1 1 1 67 ARG CD 43.649 . 43.16 0.88 5.7843e-01 17534 1 1 1 1 67 ARG H 8.989 . 8.24 0.61 2.1950e-01 17534 1 1 1 1 67 ARG HA 4.965 . 4.3 0.46 1.4827e-01 17534 1 1 1 1 67 ARG HB2 1.998 . 1.79 0.27 4.4108e-01 17534 1 1 1 1 67 ARG HB3 1.998 . 1.76 0.28 3.9533e-01 17534 1 1 1 1 67 ARG HG2 1.804 . 1.57 0.27 3.8612e-01 17534 1 1 1 1 67 ARG HG3 1.804 . 1.54 0.29 3.6264e-01 17534 1 1 1 1 67 ARG HD2 3.664 . 3.12 0.24 2.3411e-02 17534 1 1 1 1 67 ARG HD3 2.774 . 3.1 0.26 2.0990e-01 17534 1 1 1 1 67 ARG HE 8.818 . 7.4 0.63 2.4399e-02 17534 1 1 1 1 67 ARG N 125.874 . 120.8 3.68 1.6795e-01 17534 1 1 1 1 67 ARG NE 111.365 A 84.63 1.68 5.0921e-57 17534 1 1 1 1 86 ARG C 175.815 . 176.41 2.03 7.6944e-01 17534 1 1 1 1 86 ARG CA 56.292 . 56.77 2.31 8.3607e-01 17534 1 1 1 1 86 ARG CB 31.760 . 30.7 1.83 5.6243e-01 17534 1 1 1 1 86 ARG CG 27.996 . 27.21 1.2 5.1247e-01 17534 1 1 1 1 86 ARG CD 43.434 . 43.16 0.88 7.5552e-01 17534 1 1 1 1 86 ARG H 8.458 . 8.24 0.61 7.2081e-01 17534 1 1 1 1 86 ARG HA 4.478 . 4.3 0.46 6.9879e-01 17534 1 1 1 1 86 ARG HB2 1.881 . 1.79 0.27 7.3609e-01 17534 1 1 1 1 86 ARG HB3 1.716 . 1.76 0.28 8.7513e-01 17534 1 1 1 1 86 ARG HG2 1.561 . 1.57 0.27 9.7341e-01 17534 1 1 1 1 86 ARG HG3 1.468 . 1.54 0.29 8.0392e-01 17534 1 1 1 1 86 ARG HD2 2.828 . 3.12 0.24 2.2373e-01 17534 1 1 1 1 86 ARG HD3 2.828 . 3.1 0.26 2.9549e-01 17534 1 1 1 1 86 ARG HE 8.163 . 7.4 0.63 2.2585e-01 17534 1 1 1 1 86 ARG N 128.912 . 120.8 3.68 2.7500e-02 17534 1 1 1 1 86 ARG NE 114.011 A 84.63 1.68 1.7473e-68 17534 1 1 1 1 88 LYS C 174.376 . 176.64 2 2.5763e-01 17534 1 1 1 1 88 LYS CA 55.780 . 56.95 2.2 5.9485e-01 17534 1 1 1 1 88 LYS CB 33.895 . 32.79 1.78 5.3474e-01 17534 1 1 1 1 88 LYS CG 24.741 . 24.89 1.13 8.9510e-01 17534 1 1 1 1 88 LYS CD 28.773 . 28.96 1.08 8.6254e-01 17534 1 1 1 1 88 LYS CE 40.610 . 41.89 0.82 1.1853e-01 17534 1 1 1 1 88 LYS H 8.737 . 8.19 0.6 3.6194e-01 17534 1 1 1 1 88 LYS HA 4.243 . 4.27 0.44 9.5107e-01 17534 1 1 1 1 88 LYS HB2 1.265 . 1.78 0.25 3.9399e-02 17534 1 1 1 1 88 LYS HB3 1.094 . 1.74 0.27 1.6730e-02 17534 1 1 1 1 88 LYS HG2 0.042 S 1.37 0.26 3.2612e-07 17534 1 1 1 1 88 LYS HG3 -0.252 S 1.35 0.28 1.0563e-08 17534 1 1 1 1 88 LYS HD2 0.387 S 1.61 0.22 2.7118e-08 17534 1 1 1 1 88 LYS HD3 0.241 S 1.6 0.22 6.5218e-10 17534 1 1 1 1 88 LYS HE2 1.359 S 2.92 0.19 2.1077e-16 17534 1 1 1 1 88 LYS HE3 1.128 A 2.91 0.2 5.1033e-19 17534 1 1 1 1 88 LYS N 124.830 . 121.05 3.77 3.1603e-01 17534 1 1 1 1 119 ARG C 173.991 . 176.41 2.03 2.3341e-01 17534 1 1 1 1 119 ARG CA 56.455 . 56.77 2.31 8.9153e-01 17534 1 1 1 1 119 ARG CB 31.379 . 30.7 1.83 7.1061e-01 17534 1 1 1 1 119 ARG CG 28.062 . 27.21 1.2 4.7770e-01 17534 1 1 1 1 119 ARG CD 43.080 . 43.16 0.88 9.2757e-01 17534 1 1 1 1 119 ARG H 8.870 . 8.24 0.61 3.0170e-01 17534 1 1 1 1 119 ARG HA 4.691 . 4.3 0.46 3.9533e-01 17534 1 1 1 1 119 ARG HB2 1.810 . 1.79 0.27 9.4095e-01 17534 1 1 1 1 119 ARG HB3 1.584 . 1.76 0.28 5.2963e-01 17534 1 1 1 1 119 ARG HG2 1.360 . 1.57 0.27 4.3670e-01 17534 1 1 1 1 119 ARG HG3 1.360 . 1.54 0.29 5.3480e-01 17534 1 1 1 1 119 ARG HD2 3.202 . 3.12 0.24 7.3260e-01 17534 1 1 1 1 119 ARG HD3 3.267 . 3.1 0.26 5.2067e-01 17534 1 1 1 1 119 ARG HE 8.197 . 7.4 0.63 2.0584e-01 17534 1 1 1 1 119 ARG N 123.962 . 120.8 3.68 3.9021e-01 17534 1 1 1 1 119 ARG NE 111.899 A 84.63 1.68 3.0175e-59 17534 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 67 ARG ARG 0.58 17534 1 1 1 1 67 ARG LYS 0.24 17534 1 1 1 1 67 ARG GLY 0.16 17534 1 1 1 1 86 ARG ARG 0.66 17534 1 1 1 1 86 ARG LYS 0.22 17534 1 1 1 1 86 ARG GLY 0.1 17534 1 1 1 1 88 LYS LYS 0.98 17534 1 1 1 1 88 LYS ARG 0.01 17534 1 1 1 1 119 ARG ARG 0.62 17534 1 1 1 1 119 ARG LYS 0.31 17534 1 1 1 1 119 ARG GLY 0.05 17534 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17534 _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 17534 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17534 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17534 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17534 _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_