data_AVS_bmrb_pdb_report_6914 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6914 _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 6914 1 1 1 1 45 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6914 1 1 1 1 124 ARG 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 6914 1 1 1 1 45 THR C 175.80 . 174.6 1.8 5.0499e-01 6914 1 1 1 1 45 THR CA 69.80 M 62.15 2.72 4.9158e-03 6914 1 1 1 1 45 THR CB 68.10 . 69.64 1.7 3.6500e-01 6914 1 1 1 1 45 THR CG2 21.60 . 21.44 1.39 9.0836e-01 6914 1 1 1 1 45 THR H 8.68 . 8.27 0.62 5.0843e-01 6914 1 1 1 1 45 THR HA 3.56 . 4.48 0.5 6.5768e-02 6914 1 1 1 1 45 THR HB 4.16 . 4.17 0.37 9.7844e-01 6914 1 1 1 1 45 THR HG2 1.16 . 1.16 0.28 1.0000e+00 6914 1 1 1 1 45 THR N 119.60 . 115.7 5.05 4.3995e-01 6914 1 1 1 1 124 ARG C 181.70 M 176.49 2.16 1.5864e-02 6914 1 1 1 1 124 ARG CA 59.90 . 56.95 2.41 2.2093e-01 6914 1 1 1 1 124 ARG CB 30.00 . 30.66 1.77 7.0924e-01 6914 1 1 1 1 124 ARG CG 27.30 . 27.31 1.65 9.9516e-01 6914 1 1 1 1 124 ARG CD 43.40 . 43.1 1.1 7.8506e-01 6914 1 1 1 1 124 ARG H 8.40 . 8.24 0.6 7.8973e-01 6914 1 1 1 1 124 ARG HA 4.20 . 4.27 0.44 8.7360e-01 6914 1 1 1 1 124 ARG HB2 1.93 . 1.79 0.28 6.1707e-01 6914 1 1 1 1 124 ARG HG2 1.60 . 1.58 0.27 9.4095e-01 6914 1 1 1 1 124 ARG HG3 1.80 . 1.58 0.27 4.1518e-01 6914 1 1 1 1 124 ARG HD2 3.27 . 3.13 0.23 5.4273e-01 6914 1 1 1 1 124 ARG HD3 3.18 . 3.13 0.22 8.2021e-01 6914 1 1 1 1 124 ARG N 121.20 . 120.61 3.9 8.7975e-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 6914 1 1 1 1 45 THR THR 0.96 6914 1 1 1 1 45 THR CYS 0.03 6914 1 1 1 1 124 ARG ARG 0.46 6914 1 1 1 1 124 ARG CYS 0.37 6914 1 1 1 1 124 ARG GLY 0.1 6914 1 1 1 1 124 ARG LYS 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6914 _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 6914 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 6914 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6914 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6914 _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_