data_AVS_bmrb_pdb_report_15702 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15702 _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 26 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15702 1 1 1 1 54 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15702 1 1 1 1 56 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15702 1 1 1 1 125 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15702 1 1 1 1 134 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15702 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 26 GLN C 174.4 . 176.39 1.96 3.0996e-01 15702 1 1 1 1 26 GLN CA 58.1 . 56.62 2.19 4.9917e-01 15702 1 1 1 1 26 GLN CB 26.5 . 29.1 1.97 1.8690e-01 15702 1 1 1 1 26 GLN CG 35.1 . 33.72 1.1 2.0964e-01 15702 1 1 1 1 26 GLN H 7.92 . 8.22 0.62 6.2848e-01 15702 1 1 1 1 26 GLN HA 3.67 . 4.28 0.44 1.6564e-01 15702 1 1 1 1 26 GLN HB2 2.25 . 2.05 0.28 4.7505e-01 15702 1 1 1 1 26 GLN HB3 2.42 . 2.04 0.29 1.9008e-01 15702 1 1 1 1 26 GLN HG2 2.21 . 2.32 0.29 7.0446e-01 15702 1 1 1 1 26 GLN HG3 2.23 . 2.32 0.29 7.5630e-01 15702 1 1 1 1 26 GLN N 104.1 A 119.92 4.01 7.9754e-05 15702 1 1 1 1 54 ALA C 167.4 A 177.8 2.18 1.8364e-06 15702 1 1 1 1 54 ALA CA 55.8 . 53.16 2.06 2.0000e-01 15702 1 1 1 1 54 ALA CB 18.2 . 18.9 1.85 7.0515e-01 15702 1 1 1 1 54 ALA H 9.34 . 8.2 0.6 5.7433e-02 15702 1 1 1 1 54 ALA HA 4.46 . 4.26 0.42 6.3394e-01 15702 1 1 1 1 54 ALA HB1 1.53 . 1.38 0.25 5.4851e-01 15702 1 1 1 1 54 ALA HB2 1.53 . 1.38 0.25 5.4851e-01 15702 1 1 1 1 54 ALA HB3 1.53 . 1.38 0.25 5.4851e-01 15702 1 1 1 1 54 ALA N 123.8 . 123.23 3.7 8.7757e-01 15702 1 1 1 1 56 LEU C 168.1 A 176.97 2.09 2.1955e-05 15702 1 1 1 1 56 LEU CA 57.9 . 55.65 2.21 3.0863e-01 15702 1 1 1 1 56 LEU CB 42.1 . 42.37 1.86 8.8458e-01 15702 1 1 1 1 56 LEU CG 27.6 . 26.77 1.25 5.0669e-01 15702 1 1 1 1 56 LEU CD1 25.9 . 24.73 1.71 4.9384e-01 15702 1 1 1 1 56 LEU CD2 22.9 . 24.1 1.78 5.0021e-01 15702 1 1 1 1 56 LEU H 7.81 . 8.22 0.65 5.2819e-01 15702 1 1 1 1 56 LEU HA 4.28 . 4.32 0.47 9.3218e-01 15702 1 1 1 1 56 LEU HB2 1.21 . 1.63 0.34 2.1672e-01 15702 1 1 1 1 56 LEU HB3 1.76 . 1.57 0.36 5.9765e-01 15702 1 1 1 1 56 LEU HG 1.52 . 1.54 0.33 9.5167e-01 15702 1 1 1 1 56 LEU HD11 0.68 . 0.77 0.27 7.3888e-01 15702 1 1 1 1 56 LEU HD12 0.68 . 0.77 0.27 7.3888e-01 15702 1 1 1 1 56 LEU HD13 0.68 . 0.77 0.27 7.3888e-01 15702 1 1 1 1 56 LEU HD21 0.58 . 0.76 0.28 5.2032e-01 15702 1 1 1 1 56 LEU HD22 0.58 . 0.76 0.28 5.2032e-01 15702 1 1 1 1 56 LEU HD23 0.58 . 0.76 0.28 5.2032e-01 15702 1 1 1 1 56 LEU N 122.5 . 121.98 4.07 8.9834e-01 15702 1 1 1 1 125 ALA C 167.8 A 177.8 2.18 4.4933e-06 15702 1 1 1 1 125 ALA CA 54.8 . 53.16 2.06 4.2596e-01 15702 1 1 1 1 125 ALA CB 18.7 . 18.9 1.85 9.1391e-01 15702 1 1 1 1 125 ALA H 8.21 . 8.2 0.6 9.8670e-01 15702 1 1 1 1 125 ALA HA 3.96 . 4.26 0.42 4.7505e-01 15702 1 1 1 1 125 ALA HB1 1.37 . 1.38 0.25 9.6809e-01 15702 1 1 1 1 125 ALA HB2 1.37 . 1.38 0.25 9.6809e-01 15702 1 1 1 1 125 ALA HB3 1.37 . 1.38 0.25 9.6809e-01 15702 1 1 1 1 125 ALA N 122.6 . 123.23 3.7 8.6480e-01 15702 1 1 1 1 134 MET C 167.4 A 176.3 2.13 2.9356e-05 15702 1 1 1 1 134 MET CA 58.4 . 56.16 2.34 3.3843e-01 15702 1 1 1 1 134 MET CB 30.7 . 32.9 2.23 3.2386e-01 15702 1 1 1 1 134 MET CG 31.4 . 32.07 1.45 6.4403e-01 15702 1 1 1 1 134 MET CE 17.6 . 17.21 3.42 9.0921e-01 15702 1 1 1 1 134 MET H 8.99 . 8.26 0.6 2.2373e-01 15702 1 1 1 1 134 MET HA 3.87 . 4.39 0.46 2.5829e-01 15702 1 1 1 1 134 MET HB2 1.40 . 2.03 0.38 9.7339e-02 15702 1 1 1 1 134 MET HB3 1.75 . 2.01 0.36 4.7016e-01 15702 1 1 1 1 134 MET HG2 2.21 . 2.44 0.36 5.2290e-01 15702 1 1 1 1 134 MET HG3 2.64 . 2.41 0.4 5.6529e-01 15702 1 1 1 1 134 MET HE1 2.08 . 1.86 0.47 6.3972e-01 15702 1 1 1 1 134 MET HE2 2.08 . 1.86 0.47 6.3972e-01 15702 1 1 1 1 134 MET HE3 2.08 . 1.86 0.47 6.3972e-01 15702 1 1 1 1 134 MET N 119.9 . 120.1 3.88 9.5889e-01 15702 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 26 GLN LYS 0.29 15702 1 1 1 1 26 GLN GLN 0.23 15702 1 1 1 1 26 GLN GLU 0.19 15702 1 1 1 1 26 GLN ILE 0.16 15702 1 1 1 1 26 GLN ARG 0.06 15702 1 1 1 1 26 GLN MET 0.02 15702 1 1 1 1 54 ALA MET 0.63 15702 1 1 1 1 54 ALA ALA 0.27 15702 1 1 1 1 54 ALA ILE 0.06 15702 1 1 1 1 54 ALA VAL 0.01 15702 1 1 1 1 56 LEU LEU 0.68 15702 1 1 1 1 56 LEU ARG 0.27 15702 1 1 1 1 56 LEU GLY 0.01 15702 1 1 1 1 56 LEU LYS 0.01 15702 1 1 1 1 125 ALA MET 0.49 15702 1 1 1 1 125 ALA ALA 0.46 15702 1 1 1 1 125 ALA ILE 0.02 15702 1 1 1 1 134 MET MET 0.95 15702 1 1 1 1 134 MET ALA 0.04 15702 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15702 _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 15702 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15702 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15702 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15702 _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_