data_AVS_bmrb_pdb_report_5511 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5511 _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 5511 1 1 1 1 70 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5511 1 1 1 1 130 LYS 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 5511 1 1 1 1 70 LEU C 168.33 M 176.97 2.09 3.5655e-05 5511 1 1 1 1 70 LEU CA 55.12 . 55.65 2.21 8.1047e-01 5511 1 1 1 1 70 LEU H 7.74 . 8.22 0.65 4.6023e-01 5511 1 1 1 1 70 LEU N 121.91 . 121.98 4.07 9.8628e-01 5511 1 1 1 1 130 LYS C 169.65 M 176.46 2.05 8.9390e-04 5511 1 1 1 1 130 LYS CA 57.62 . 56.84 2.25 7.2884e-01 5511 1 1 1 1 130 LYS H 8.36 . 8.22 0.64 8.2684e-01 5511 1 1 1 1 130 LYS N 122.42 . 121.16 4.11 7.5917e-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 5511 1 1 1 1 70 LEU LEU 0.12 5511 1 1 1 1 70 LEU ASP 0.11 5511 1 1 1 1 70 LEU MET 0.09 5511 1 1 1 1 70 LEU HIS 0.08 5511 1 1 1 1 70 LEU CYS 0.07 5511 1 1 1 1 70 LEU GLN 0.07 5511 1 1 1 1 70 LEU ARG 0.06 5511 1 1 1 1 70 LEU LYS 0.06 5511 1 1 1 1 70 LEU ASN 0.05 5511 1 1 1 1 70 LEU ALA 0.05 5511 1 1 1 1 70 LEU TRP 0.04 5511 1 1 1 1 70 LEU GLU 0.04 5511 1 1 1 1 70 LEU TYR 0.04 5511 1 1 1 1 70 LEU PHE 0.03 5511 1 1 1 1 70 LEU SER 0.01 5511 1 1 1 1 130 LYS TRP 0.1 5511 1 1 1 1 130 LYS CYS 0.1 5511 1 1 1 1 130 LYS GLU 0.09 5511 1 1 1 1 130 LYS TYR 0.09 5511 1 1 1 1 130 LYS PHE 0.08 5511 1 1 1 1 130 LYS ARG 0.08 5511 1 1 1 1 130 LYS LYS 0.07 5511 1 1 1 1 130 LYS SER 0.06 5511 1 1 1 1 130 LYS GLN 0.06 5511 1 1 1 1 130 LYS HIS 0.06 5511 1 1 1 1 130 LYS MET 0.05 5511 1 1 1 1 130 LYS LEU 0.03 5511 1 1 1 1 130 LYS ILE 0.01 5511 1 1 1 1 130 LYS ASP 0.01 5511 1 1 1 1 130 LYS VAL 0.01 5511 1 1 1 1 130 LYS THR 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5511 _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 5511 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 5511 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5511 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5511 _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_