data_AVS_bmrb_pdb_report_6376 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6376 _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 6376 1 1 1 1 21 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6376 1 1 1 1 133 THR 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 6376 1 1 1 1 21 LEU C 175.140 . 176.97 2.09 3.8125e-01 6376 1 1 1 1 21 LEU CA 53.680 . 55.65 2.21 3.7271e-01 6376 1 1 1 1 21 LEU CB 45.900 . 42.37 1.86 5.7716e-02 6376 1 1 1 1 21 LEU CG 28.800 . 26.77 1.25 1.0438e-01 6376 1 1 1 1 21 LEU CD1 24.500 . 24.73 1.71 8.9301e-01 6376 1 1 1 1 21 LEU CD2 29.100 M 24.1 1.78 4.9697e-03 6376 1 1 1 1 21 LEU H 9.873 . 8.22 0.65 1.0988e-02 6376 1 1 1 1 21 LEU HA 5.390 . 4.32 0.47 2.2810e-02 6376 1 1 1 1 21 LEU HB2 1.855 . 1.63 0.34 5.0812e-01 6376 1 1 1 1 21 LEU HB3 0.825 . 1.57 0.36 3.8504e-02 6376 1 1 1 1 21 LEU HG 1.315 . 1.54 0.33 4.9535e-01 6376 1 1 1 1 21 LEU HD1 0.340 . 0.77 0.27 1.1125e-01 6376 1 1 1 1 21 LEU HD2 0.120 . 0.76 0.28 2.2271e-02 6376 1 1 1 1 21 LEU N 133.985 . 121.98 4.07 3.1815e-03 6376 1 1 1 1 133 THR C 174.408 . 174.6 1.8 9.1505e-01 6376 1 1 1 1 133 THR CA 62.706 . 62.15 2.72 8.3803e-01 6376 1 1 1 1 133 THR CB 69.976 . 69.64 1.7 8.4332e-01 6376 1 1 1 1 133 THR CG2 22.700 . 21.44 1.39 3.6468e-01 6376 1 1 1 1 133 THR H 7.942 . 8.27 0.62 5.9678e-01 6376 1 1 1 1 133 THR HA 4.188 . 4.48 0.5 5.5922e-01 6376 1 1 1 1 133 THR HB 4.122 . 4.17 0.37 8.9678e-01 6376 1 1 1 1 133 THR HG2 1.120 . 1.16 0.28 8.8640e-01 6376 1 1 1 1 133 THR N 133.117 M 115.7 5.05 5.6285e-04 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 6376 1 1 1 1 21 LEU GLY 0.59 6376 1 1 1 1 21 LEU CYS 0.35 6376 1 1 1 1 21 LEU ARG 0.03 6376 1 1 1 1 133 THR THR 0.91 6376 1 1 1 1 133 THR CYS 0.08 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6376 _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 6376 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 6376 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6376 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6376 _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_