data_AVS_bmrb_pdb_report_10281 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10281 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 22 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10281 1 1 1 1 58 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10281 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 22 LEU C 177.861 . 176.97 2.09 6.6988e-01 10281 1 1 1 1 22 LEU CA 58.530 . 55.65 2.21 1.9252e-01 10281 1 1 1 1 22 LEU CB 37.691 . 42.37 1.86 1.1883e-02 10281 1 1 1 1 22 LEU CG 25.973 . 26.77 1.25 5.2373e-01 10281 1 1 1 1 22 LEU CD1 23.520 . 24.73 1.71 4.7919e-01 10281 1 1 1 1 22 LEU CD2 23.694 . 24.1 1.78 8.1958e-01 10281 1 1 1 1 22 LEU H 8.100 . 8.22 0.65 8.5353e-01 10281 1 1 1 1 22 LEU HA 3.490 . 4.32 0.47 7.7403e-02 10281 1 1 1 1 22 LEU HB2 0.570 . 1.63 0.34 1.8230e-03 10281 1 1 1 1 22 LEU HB3 -1.225 A 1.57 0.36 8.2364e-15 10281 1 1 1 1 22 LEU HG 1.099 . 1.54 0.33 1.8143e-01 10281 1 1 1 1 22 LEU HD11 -0.667 S 0.77 0.27 1.0251e-07 10281 1 1 1 1 22 LEU HD12 -0.667 S 0.77 0.27 1.0251e-07 10281 1 1 1 1 22 LEU HD13 -0.667 S 0.77 0.27 1.0251e-07 10281 1 1 1 1 22 LEU HD21 0.453 . 0.76 0.28 2.7289e-01 10281 1 1 1 1 22 LEU HD22 0.453 . 0.76 0.28 2.7289e-01 10281 1 1 1 1 22 LEU HD23 0.453 . 0.76 0.28 2.7289e-01 10281 1 1 1 1 22 LEU N 122.412 . 121.98 4.07 9.1547e-01 10281 1 1 1 1 58 ARG C 179.919 . 176.49 2.16 1.1240e-01 10281 1 1 1 1 58 ARG CA 56.451 . 56.95 2.41 8.3597e-01 10281 1 1 1 1 58 ARG CB 27.981 . 30.66 1.77 1.3014e-01 10281 1 1 1 1 58 ARG CG 23.734 . 27.31 1.65 3.0214e-02 10281 1 1 1 1 58 ARG CD 40.756 . 43.1 1.1 3.3097e-02 10281 1 1 1 1 58 ARG H 8.531 . 8.24 0.6 6.2768e-01 10281 1 1 1 1 58 ARG HA 3.533 . 4.27 0.44 9.3934e-02 10281 1 1 1 1 58 ARG HB2 0.667 S 1.79 0.28 6.0535e-05 10281 1 1 1 1 58 ARG HB3 -0.554 A 1.78 0.28 7.7032e-17 10281 1 1 1 1 58 ARG HG2 -0.199 S 1.58 0.27 4.4313e-11 10281 1 1 1 1 58 ARG HG3 -0.668 A 1.58 0.27 8.3672e-17 10281 1 1 1 1 58 ARG HD2 2.077 S 3.13 0.23 4.6886e-06 10281 1 1 1 1 58 ARG HD3 2.372 S 3.13 0.22 5.7010e-04 10281 1 1 1 1 58 ARG HE 9.513 S 7.32 0.52 2.4724e-05 10281 1 1 1 1 58 ARG N 124.704 . 120.61 3.9 2.9384e-01 10281 1 1 1 1 58 ARG NE 90.012 . 89.8 12.83 9.8682e-01 10281 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 22 LEU LEU 0.87 10281 1 1 1 1 22 LEU VAL 0.11 10281 1 1 1 1 22 LEU ALA 0.01 10281 1 1 1 1 58 ARG LEU 0.51 10281 1 1 1 1 58 ARG LYS 0.46 10281 1 1 1 1 58 ARG ARG 0.01 10281 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10281 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 10281 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10281 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10281 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10281 _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_