data_AVS_bmrb_pdb_report_5312 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5312 _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 5312 1 1 1 1 22 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5312 1 1 1 1 45 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 5312 1 1 1 1 22 THR CA 69.5 M 62.15 2.72 6.8881e-03 5312 1 1 1 1 22 THR CB 69.7 . 69.64 1.7 9.7185e-01 5312 1 1 1 1 22 THR CG2 16.0 S 21.44 1.39 9.0904e-05 5312 1 1 1 1 22 THR H 8.08 . 8.27 0.62 7.5926e-01 5312 1 1 1 1 22 THR HA 4.34 . 4.48 0.5 7.7948e-01 5312 1 1 1 1 22 THR HB 4.15 . 4.17 0.37 9.5689e-01 5312 1 1 1 1 22 THR HG2 1.21 . 1.16 0.28 8.5827e-01 5312 1 1 1 1 22 THR N 115.9 . 115.7 5.05 9.6841e-01 5312 1 1 1 1 45 ARG CA 59.6 . 56.95 2.41 2.7151e-01 5312 1 1 1 1 45 ARG CB 24.0 M 30.66 1.77 1.6808e-04 5312 1 1 1 1 45 ARG CG 27.47 . 27.31 1.65 9.2275e-01 5312 1 1 1 1 45 ARG CD 43.1 . 43.1 1.1 1.0000e+00 5312 1 1 1 1 45 ARG H 8.34 . 8.24 0.6 8.6763e-01 5312 1 1 1 1 45 ARG HA 3.74 . 4.27 0.44 2.2838e-01 5312 1 1 1 1 45 ARG HB2 2.06 . 1.79 0.28 3.3490e-01 5312 1 1 1 1 45 ARG HG2 1.74 . 1.58 0.27 5.5345e-01 5312 1 1 1 1 45 ARG HD2 3.29 . 3.13 0.23 4.8665e-01 5312 1 1 1 1 45 ARG N 117.6 . 120.61 3.9 4.4024e-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 5312 1 1 1 1 22 THR CYS 0.51 5312 1 1 1 1 22 THR THR 0.48 5312 1 1 1 1 45 ARG CYS 0.35 5312 1 1 1 1 45 ARG LEU 0.32 5312 1 1 1 1 45 ARG LYS 0.22 5312 1 1 1 1 45 ARG GLY 0.08 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5312 _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 5312 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 5312 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5312 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5312 _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_