data_AVS_bmrb_pdb_report_6023 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6023 _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 6023 1 1 1 1 37 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6023 1 1 1 1 148 LYS Anomalous Consistent 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 6023 1 1 1 1 37 ARG C 181.8 M 176.49 2.16 1.3958e-02 6023 1 1 1 1 37 ARG CA 59.0 . 56.95 2.41 3.9498e-01 6023 1 1 1 1 37 ARG CB 29.7 . 30.66 1.77 5.8756e-01 6023 1 1 1 1 37 ARG CG 29.4 . 27.31 1.65 2.0527e-01 6023 1 1 1 1 37 ARG CD 43.6 . 43.1 1.1 6.4944e-01 6023 1 1 1 1 37 ARG H 8.67 . 8.24 0.6 4.7358e-01 6023 1 1 1 1 37 ARG HA 4.77 . 4.27 0.44 2.5580e-01 6023 1 1 1 1 37 ARG HB2 1.92 . 1.79 0.28 6.4244e-01 6023 1 1 1 1 37 ARG HB3 1.92 . 1.78 0.28 6.1707e-01 6023 1 1 1 1 37 ARG HG2 1.89 . 1.58 0.27 2.5091e-01 6023 1 1 1 1 37 ARG HG3 1.89 . 1.58 0.27 2.5091e-01 6023 1 1 1 1 37 ARG HD2 3.30 . 3.13 0.23 4.5983e-01 6023 1 1 1 1 37 ARG HD3 3.15 . 3.13 0.22 9.2757e-01 6023 1 1 1 1 37 ARG N 119.1 . 120.61 3.9 6.9862e-01 6023 1 1 1 1 148 LYS C 181.7 M 176.46 2.05 1.0585e-02 6023 1 1 1 1 148 LYS CA 57.7 . 56.84 2.25 7.0230e-01 6023 1 1 1 1 148 LYS CB 33.3 . 32.83 1.88 8.0259e-01 6023 1 1 1 1 148 LYS H 7.96 . 8.22 0.64 6.8456e-01 6023 1 1 1 1 148 LYS HA 4.07 . 4.28 0.45 6.4074e-01 6023 1 1 1 1 148 LYS HG2 1.40 . 1.38 0.27 9.4095e-01 6023 1 1 1 1 148 LYS HG3 1.01 . 1.37 0.29 2.1447e-01 6023 1 1 1 1 148 LYS HD2 1.68 . 1.61 0.25 7.7948e-01 6023 1 1 1 1 148 LYS HD3 1.68 . 1.61 0.25 7.7948e-01 6023 1 1 1 1 148 LYS HE2 3.22 . 2.93 0.2 1.4706e-01 6023 1 1 1 1 148 LYS HE3 3.22 . 2.93 0.2 1.4706e-01 6023 1 1 1 1 148 LYS N 126.4 . 121.16 4.11 2.0233e-01 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 6023 1 1 1 1 37 ARG ARG 0.62 6023 1 1 1 1 37 ARG GLY 0.23 6023 1 1 1 1 37 ARG LYS 0.12 6023 1 1 1 1 148 LYS LYS 0.24 6023 1 1 1 1 148 LYS GLN 0.22 6023 1 1 1 1 148 LYS MET 0.21 6023 1 1 1 1 148 LYS ARG 0.08 6023 1 1 1 1 148 LYS VAL 0.07 6023 1 1 1 1 148 LYS HIS 0.07 6023 1 1 1 1 148 LYS GLU 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6023 _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 6023 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 6023 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6023 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6023 _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_