data_AVS_bmrb_pdb_report_10130 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10130 _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 10130 1 1 1 1 54 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 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 10130 1 1 1 1 54 ARG C 177.399 . 176.49 2.16 6.7388e-01 10130 1 1 1 1 54 ARG CA 57.020 . 56.95 2.41 9.7683e-01 10130 1 1 1 1 54 ARG CB 29.710 . 30.66 1.77 5.9146e-01 10130 1 1 1 1 54 ARG CG 25.947 . 27.31 1.65 4.0877e-01 10130 1 1 1 1 54 ARG CD 43.656 . 43.1 1.1 6.1324e-01 10130 1 1 1 1 54 ARG H 8.442 . 8.24 0.6 7.3637e-01 10130 1 1 1 1 54 ARG HA 1.880 M 4.27 0.44 5.5783e-08 10130 1 1 1 1 54 ARG HB2 1.383 . 1.79 0.28 1.4606e-01 10130 1 1 1 1 54 ARG HB3 1.383 . 1.78 0.28 1.5623e-01 10130 1 1 1 1 54 ARG HG2 1.500 . 1.58 0.27 7.6700e-01 10130 1 1 1 1 54 ARG HG3 1.149 . 1.58 0.27 1.1042e-01 10130 1 1 1 1 54 ARG HD2 3.079 . 3.13 0.23 8.2452e-01 10130 1 1 1 1 54 ARG HD3 3.079 . 3.13 0.22 8.1668e-01 10130 1 1 1 1 54 ARG N 126.896 . 120.61 3.9 1.0701e-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 10130 1 1 1 1 54 ARG ARG 0.55 10130 1 1 1 1 54 ARG LYS 0.2 10130 1 1 1 1 54 ARG GLY 0.15 10130 1 1 1 1 54 ARG LEU 0.09 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10130 _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 10130 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 10130 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10130 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10130 _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_