data_AVS_bmrb_pdb_report_6451 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6451 _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 6451 1 1 1 1 29 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 6451 1 1 1 1 37 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 6451 1 1 1 1 29 ARG C 173.5 . 176.49 2.16 1.6628e-01 6451 1 1 1 1 29 ARG CA 55.31 . 56.95 2.41 4.9619e-01 6451 1 1 1 1 29 ARG CB 23.42 M 30.66 1.77 4.3064e-05 6451 1 1 1 1 29 ARG H 8.385 . 8.24 0.6 8.0904e-01 6451 1 1 1 1 29 ARG N 112.8 . 120.61 3.9 4.5224e-02 6451 1 1 1 1 37 GLU C 177.3 . 176.93 2.11 8.6080e-01 6451 1 1 1 1 37 GLU CA 60.05 . 57.42 2.19 2.2978e-01 6451 1 1 1 1 37 GLU CB 28.40 . 30.07 1.84 3.6409e-01 6451 1 1 1 1 37 GLU H 8.355 . 8.34 0.61 9.8038e-01 6451 1 1 1 1 37 GLU N 109.6 M 120.68 3.68 2.6050e-03 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 6451 1 1 1 1 29 ARG LEU 0.49 6451 1 1 1 1 29 ARG LYS 0.22 6451 1 1 1 1 29 ARG CYS 0.12 6451 1 1 1 1 29 ARG MET 0.09 6451 1 1 1 1 29 ARG VAL 0.01 6451 1 1 1 1 29 ARG ALA 0.01 6451 1 1 1 1 37 GLU ILE 0.22 6451 1 1 1 1 37 GLU CYS 0.14 6451 1 1 1 1 37 GLU TRP 0.13 6451 1 1 1 1 37 GLU ARG 0.09 6451 1 1 1 1 37 GLU LYS 0.09 6451 1 1 1 1 37 GLU GLU 0.08 6451 1 1 1 1 37 GLU GLN 0.07 6451 1 1 1 1 37 GLU HIS 0.06 6451 1 1 1 1 37 GLU PRO 0.02 6451 1 1 1 1 37 GLU VAL 0.01 6451 1 1 1 1 37 GLU LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6451 _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 6451 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 6451 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6451 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6451 _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_