data_AVS_bmrb_pdb_report_6744 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6744 _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 6744 1 1 1 1 9 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6744 1 1 1 1 30 VAL 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 6744 1 1 1 1 9 LEU C 174.628 . 176.97 2.09 2.6247e-01 6744 1 1 1 1 9 LEU CA 54.063 . 55.65 2.21 4.7270e-01 6744 1 1 1 1 9 LEU CB 44.792 . 42.37 1.86 1.9286e-01 6744 1 1 1 1 9 LEU CG 27.540 . 26.77 1.25 5.3789e-01 6744 1 1 1 1 9 LEU CD1 26.502 . 24.73 1.71 3.0008e-01 6744 1 1 1 1 9 LEU CD2 26.502 . 24.1 1.78 1.7720e-01 6744 1 1 1 1 9 LEU H 8.368 . 8.22 0.65 8.1989e-01 6744 1 1 1 1 9 LEU HA 5.213 . 4.32 0.47 5.7433e-02 6744 1 1 1 1 9 LEU HB2 1.222 . 1.63 0.34 2.3014e-01 6744 1 1 1 1 9 LEU HB3 1.222 . 1.57 0.36 3.3371e-01 6744 1 1 1 1 9 LEU HG 1.350 . 1.54 0.33 5.6478e-01 6744 1 1 1 1 9 LEU HD1 0.602 . 0.77 0.27 5.3380e-01 6744 1 1 1 1 9 LEU HD2 0.602 . 0.76 0.28 5.7256e-01 6744 1 1 1 1 9 LEU N 102.175 M 121.98 4.07 1.1383e-06 6744 1 1 1 1 30 VAL C 182.264 M 175.69 2.03 1.2019e-03 6744 1 1 1 1 30 VAL CA 65.339 . 62.48 3.04 3.4698e-01 6744 1 1 1 1 30 VAL CB 31.583 . 32.66 1.91 5.7284e-01 6744 1 1 1 1 30 VAL CG1 22.494 . 21.38 1.53 4.6655e-01 6744 1 1 1 1 30 VAL CG2 20.930 . 21.31 1.76 8.2906e-01 6744 1 1 1 1 30 VAL H 9.369 . 8.29 0.71 1.2858e-01 6744 1 1 1 1 30 VAL HA 4.363 . 4.16 0.57 7.2174e-01 6744 1 1 1 1 30 VAL HB 2.297 . 1.99 0.33 3.5221e-01 6744 1 1 1 1 30 VAL HG1 1.207 . 0.84 0.27 1.7406e-01 6744 1 1 1 1 30 VAL HG2 1.056 . 0.83 0.29 4.3580e-01 6744 1 1 1 1 30 VAL N 122.265 . 121.02 4.96 8.0181e-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 6744 1 1 1 1 9 LEU GLY 0.44 6744 1 1 1 1 9 LEU CYS 0.24 6744 1 1 1 1 9 LEU LEU 0.22 6744 1 1 1 1 9 LEU ARG 0.08 6744 1 1 1 1 30 VAL VAL 0.92 6744 1 1 1 1 30 VAL CYS 0.07 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6744 _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 6744 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 6744 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6744 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6744 _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_