data_AVS_bmrb_pdb_report_6121 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6121 _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 6121 1 1 1 1 140 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6121 1 1 1 1 179 SER 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 6121 1 1 1 1 140 LEU C 175.32 . 176.97 2.09 4.2984e-01 6121 1 1 1 1 140 LEU CA 56.13 . 55.65 2.21 8.2806e-01 6121 1 1 1 1 140 LEU CB 41.04 . 42.37 1.86 4.7458e-01 6121 1 1 1 1 140 LEU CG 24.33 . 26.77 1.25 5.0938e-02 6121 1 1 1 1 140 LEU CD2 28.64 M 24.1 1.78 1.0755e-02 6121 1 1 1 1 140 LEU H 8.27 . 8.22 0.65 9.3868e-01 6121 1 1 1 1 140 LEU HA 4.43 . 4.32 0.47 8.1495e-01 6121 1 1 1 1 140 LEU HB3 1.64 . 1.57 0.36 8.4583e-01 6121 1 1 1 1 140 LEU HG 0.98 . 1.54 0.33 8.9702e-02 6121 1 1 1 1 140 LEU HD2 1.64 . 0.76 0.28 1.6731e-03 6121 1 1 1 1 140 LEU N 129.44 . 121.98 4.07 6.6814e-02 6121 1 1 1 1 179 SER C 182.20 M 174.53 1.73 9.2704e-06 6121 1 1 1 1 179 SER CA 56.51 . 58.57 2.12 3.3120e-01 6121 1 1 1 1 179 SER CB 64.31 . 63.8 1.57 7.4530e-01 6121 1 1 1 1 179 SER H 7.48 . 8.29 0.62 1.9140e-01 6121 1 1 1 1 179 SER HA 4.97 . 4.51 0.43 2.8472e-01 6121 1 1 1 1 179 SER HB2 3.95 . 3.88 0.29 8.0926e-01 6121 1 1 1 1 179 SER HB3 3.80 . 3.87 0.31 8.2135e-01 6121 1 1 1 1 179 SER N 116.42 . 116.3 3.95 9.7576e-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 6121 1 1 1 1 140 LEU LYS 0.54 6121 1 1 1 1 140 LEU CYS 0.38 6121 1 1 1 1 140 LEU ARG 0.04 6121 1 1 1 1 140 LEU LEU 0.01 6121 1 1 1 1 179 SER SER 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6121 _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 6121 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 6121 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6121 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6121 _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_