data_AVS_bmrb_pdb_report_6111 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6111 _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 6111 1 1 1 1 31 GLN Anomalous Consistent Consistent Duplicate Anomalous Duplicate . . 6111 1 1 1 1 79 ARG Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 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 6111 1 1 1 1 31 GLN C 170.35 M 176.39 1.96 2.0587e-03 6111 1 1 1 1 31 GLN CA 52.67 D 56.62 2.19 7.1286e-02 6111 1 1 1 1 31 GLN CB 27.68 . 29.1 1.97 4.7103e-01 6111 1 1 1 1 31 GLN CG 31.87 . 33.72 1.1 9.2604e-02 6111 1 1 1 1 31 GLN H 8.70 D 8.22 0.62 4.3882e-01 6111 1 1 1 1 31 GLN HA 5.19 D 4.28 0.44 3.8623e-02 6111 1 1 1 1 31 GLN HB2 1.89 . 2.05 0.28 5.6771e-01 6111 1 1 1 1 31 GLN HB3 1.89 . 2.04 0.29 6.0499e-01 6111 1 1 1 1 31 GLN HG2 2.30 . 2.32 0.29 9.4502e-01 6111 1 1 1 1 31 GLN HG3 2.30 . 2.32 0.29 9.4502e-01 6111 1 1 1 1 31 GLN HE21 7.54 . 7.17 0.46 4.2120e-01 6111 1 1 1 1 31 GLN HE22 6.61 . 7.07 0.49 3.4785e-01 6111 1 1 1 1 31 GLN N 117.96 D 119.92 4.01 6.2500e-01 6111 1 1 1 1 31 GLN NE2 111.17 . 111.81 2.2 7.7112e-01 6111 1 1 1 1 79 ARG C 175.63 D 176.49 2.16 6.9052e-01 6111 1 1 1 1 79 ARG CA 50.66 D 56.95 2.41 9.0553e-03 6111 1 1 1 1 79 ARG CB 32.53 . 30.66 1.77 2.9074e-01 6111 1 1 1 1 79 ARG CG 24.63 . 27.31 1.65 1.0432e-01 6111 1 1 1 1 79 ARG CD 41.36 . 43.1 1.1 1.1369e-01 6111 1 1 1 1 79 ARG H 8.32 D 8.24 0.6 8.9393e-01 6111 1 1 1 1 79 ARG HA 6.08 M 4.27 0.44 3.8947e-05 6111 1 1 1 1 79 ARG HB2 1.91 . 1.79 0.28 6.6823e-01 6111 1 1 1 1 79 ARG HB3 1.82 . 1.78 0.28 8.8640e-01 6111 1 1 1 1 79 ARG HG2 1.56 . 1.58 0.27 9.4095e-01 6111 1 1 1 1 79 ARG HG3 1.56 . 1.58 0.27 9.4095e-01 6111 1 1 1 1 79 ARG HD2 3.23 . 3.13 0.23 6.6372e-01 6111 1 1 1 1 79 ARG HD3 3.23 . 3.13 0.22 6.4944e-01 6111 1 1 1 1 79 ARG N 122.51 D 120.61 3.9 6.2613e-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 6111 1 1 1 1 31 GLN CYS 0.3 6111 1 1 1 1 31 GLN ARG 0.25 6111 1 1 1 1 31 GLN LYS 0.19 6111 1 1 1 1 31 GLN PRO 0.11 6111 1 1 1 1 31 GLN GLN 0.07 6111 1 1 1 1 31 GLN MET 0.04 6111 1 1 1 1 79 ARG CYS 0.53 6111 1 1 1 1 79 ARG LYS 0.38 6111 1 1 1 1 79 ARG ARG 0.04 6111 1 1 1 1 79 ARG GLY 0.02 6111 1 1 1 1 79 ARG ALA 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6111 _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 6111 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 6111 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6111 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6111 _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_