data_AVS_bmrb_pdb_report_5590 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5590 _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 5590 1 1 1 1 30 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5590 1 1 1 1 31 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 5590 1 1 1 1 30 ARG C 184.26 M 176.49 2.16 3.2163e-04 5590 1 1 1 1 30 ARG CA 53.58 . 56.95 2.41 1.6201e-01 5590 1 1 1 1 30 ARG CB 28.79 . 30.66 1.77 2.9074e-01 5590 1 1 1 1 30 ARG CG 25 . 27.31 1.65 1.6151e-01 5590 1 1 1 1 30 ARG CD 41.12 . 43.1 1.1 7.1861e-02 5590 1 1 1 1 30 ARG H 8.48 . 8.24 0.6 6.8916e-01 5590 1 1 1 1 30 ARG HA 4.44 . 4.27 0.44 6.9923e-01 5590 1 1 1 1 30 ARG HB2 1.792 . 1.79 0.28 9.9430e-01 5590 1 1 1 1 30 ARG HG2 1.68 . 1.58 0.27 7.1111e-01 5590 1 1 1 1 30 ARG HD2 3.23 . 3.13 0.23 6.6372e-01 5590 1 1 1 1 30 ARG N 126.63 . 120.61 3.9 1.2269e-01 5590 1 1 1 1 31 ARG C 184.286 M 176.49 2.16 3.0707e-04 5590 1 1 1 1 31 ARG CA 53.36 . 56.95 2.41 1.3632e-01 5590 1 1 1 1 31 ARG CB 28.76 . 30.66 1.77 2.8307e-01 5590 1 1 1 1 31 ARG CG 25 . 27.31 1.65 1.6151e-01 5590 1 1 1 1 31 ARG CD 41.12 . 43.1 1.1 7.1861e-02 5590 1 1 1 1 31 ARG H 8.55 . 8.24 0.6 6.0539e-01 5590 1 1 1 1 31 ARG HA 4.269 . 4.27 0.44 9.9819e-01 5590 1 1 1 1 31 ARG HB2 2.17 . 1.79 0.28 1.7474e-01 5590 1 1 1 1 31 ARG HG2 1.868 . 1.58 0.27 2.8612e-01 5590 1 1 1 1 31 ARG HD2 3.4 . 3.13 0.23 2.4043e-01 5590 1 1 1 1 31 ARG N 115.67 . 120.61 3.9 2.0527e-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 5590 1 1 1 1 30 ARG LYS 0.55 5590 1 1 1 1 30 ARG LEU 0.36 5590 1 1 1 1 30 ARG ARG 0.07 5590 1 1 1 1 31 ARG LYS 0.55 5590 1 1 1 1 31 ARG LEU 0.37 5590 1 1 1 1 31 ARG ARG 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5590 _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 5590 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 5590 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5590 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5590 _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_