data_AVS_bmrb_pdb_report_15283 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15283 _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 15283 1 1 1 1 1 MET Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 15283 1 1 1 1 4 LYS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 15283 1 1 1 1 10 LYS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 15283 1 1 1 1 13 LYS Anomalous Consistent Consistent Indeterminable Suspicious Anomalous . . 15283 1 1 1 1 19 LYS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 15283 1 1 1 1 28 LYS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 15283 1 1 1 1 31 LYS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 15283 1 1 1 1 50 LYS Anomalous Consistent Consistent Indeterminable 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 15283 1 1 1 1 1 MET C 170.738 . 176.3 2.13 9.0207e-03 15283 1 1 1 1 1 MET CA 54.939 . 56.16 2.34 6.0181e-01 15283 1 1 1 1 1 MET CB 33.517 . 32.9 2.23 7.8202e-01 15283 1 1 1 1 1 MET CG 30.363 . 32.07 1.45 2.3910e-01 15283 1 1 1 1 1 MET CE 15.949 . 17.21 3.42 7.1234e-01 15283 1 1 1 1 1 MET N 38.953 M 120.1 3.88 0.0000e+00 15283 1 1 1 1 4 LYS C 172.857 . 176.46 2.05 7.8822e-02 15283 1 1 1 1 4 LYS CA 54.904 . 56.84 2.25 3.8954e-01 15283 1 1 1 1 4 LYS CB 35.753 . 32.83 1.88 1.2000e-01 15283 1 1 1 1 4 LYS CG 25.499 . 24.91 1.31 6.5299e-01 15283 1 1 1 1 4 LYS CD 28.730 . 28.78 1.39 9.7131e-01 15283 1 1 1 1 4 LYS CE 41.951 . 41.78 0.98 8.6148e-01 15283 1 1 1 1 4 LYS N 123.878 . 121.16 4.11 5.0841e-01 15283 1 1 1 1 4 LYS NZ 32.651 M 71.86 52.41 4.5439e-01 15283 1 1 1 1 10 LYS C 178.948 . 176.46 2.05 2.2488e-01 15283 1 1 1 1 10 LYS CA 58.688 . 56.84 2.25 4.1146e-01 15283 1 1 1 1 10 LYS CB 32.069 . 32.83 1.88 6.8563e-01 15283 1 1 1 1 10 LYS CG 24.875 . 24.91 1.31 9.7869e-01 15283 1 1 1 1 10 LYS CD 28.547 . 28.78 1.39 8.6688e-01 15283 1 1 1 1 10 LYS CE 43.847 . 41.78 0.98 3.4929e-02 15283 1 1 1 1 10 LYS N 119.420 . 121.16 4.11 6.7203e-01 15283 1 1 1 1 10 LYS NZ 32.825 M 71.86 52.41 4.5639e-01 15283 1 1 1 1 13 LYS C 175.625 . 176.46 2.05 6.8377e-01 15283 1 1 1 1 13 LYS CA 53.554 . 56.84 2.25 1.4417e-01 15283 1 1 1 1 13 LYS CB 39.030 S 32.83 1.88 9.7420e-04 15283 1 1 1 1 13 LYS CG 26.665 . 24.91 1.31 1.8034e-01 15283 1 1 1 1 13 LYS CD 30.152 . 28.78 1.39 3.2362e-01 15283 1 1 1 1 13 LYS CE 42.565 . 41.78 0.98 4.2312e-01 15283 1 1 1 1 13 LYS N 121.625 . 121.16 4.11 9.0992e-01 15283 1 1 1 1 13 LYS NZ 30.706 M 71.86 52.41 4.3232e-01 15283 1 1 1 1 19 LYS C 175.775 . 176.46 2.05 7.3827e-01 15283 1 1 1 1 19 LYS CA 55.202 . 56.84 2.25 4.6661e-01 15283 1 1 1 1 19 LYS CB 33.468 . 32.83 1.88 7.3434e-01 15283 1 1 1 1 19 LYS CG 25.554 . 24.91 1.31 6.2300e-01 15283 1 1 1 1 19 LYS CD 29.280 . 28.78 1.39 7.1906e-01 15283 1 1 1 1 19 LYS CE 41.920 . 41.78 0.98 8.8640e-01 15283 1 1 1 1 19 LYS N 125.889 . 121.16 4.11 2.4989e-01 15283 1 1 1 1 19 LYS NZ 32.952 M 71.86 52.41 4.5786e-01 15283 1 1 1 1 28 LYS C 178.909 . 176.46 2.05 2.3223e-01 15283 1 1 1 1 28 LYS CA 59.298 . 56.84 2.25 2.7464e-01 15283 1 1 1 1 28 LYS CB 32.131 . 32.83 1.88 7.1004e-01 15283 1 1 1 1 28 LYS CG 25.334 . 24.91 1.31 7.4619e-01 15283 1 1 1 1 28 LYS CD 28.980 . 28.78 1.39 8.8559e-01 15283 1 1 1 1 28 LYS CE 41.943 . 41.78 0.98 8.6790e-01 15283 1 1 1 1 28 LYS N 117.079 . 121.16 4.11 3.2074e-01 15283 1 1 1 1 28 LYS NZ 32.535 M 71.86 52.41 4.5305e-01 15283 1 1 1 1 31 LYS C 180.032 . 176.46 2.05 8.1432e-02 15283 1 1 1 1 31 LYS CA 59.956 . 56.84 2.25 1.6609e-01 15283 1 1 1 1 31 LYS CB 31.675 . 32.83 1.88 5.3898e-01 15283 1 1 1 1 31 LYS CG 26.528 . 24.91 1.31 2.1679e-01 15283 1 1 1 1 31 LYS CD 29.088 . 28.78 1.39 8.2464e-01 15283 1 1 1 1 31 LYS CE 40.765 . 41.78 0.98 3.0034e-01 15283 1 1 1 1 31 LYS N 121.489 . 121.16 4.11 9.3620e-01 15283 1 1 1 1 31 LYS NZ 31.870 M 71.86 52.41 4.4545e-01 15283 1 1 1 1 50 LYS C 175.094 . 176.46 2.05 5.0519e-01 15283 1 1 1 1 50 LYS CA 55.261 . 56.84 2.25 4.8282e-01 15283 1 1 1 1 50 LYS CB 27.247 . 32.83 1.88 2.9811e-03 15283 1 1 1 1 50 LYS CG 24.710 . 24.91 1.31 8.7866e-01 15283 1 1 1 1 50 LYS CD 27.480 . 28.78 1.39 3.4966e-01 15283 1 1 1 1 50 LYS CE 43.391 . 41.78 0.98 1.0020e-01 15283 1 1 1 1 50 LYS N 119.714 . 121.16 4.11 7.2497e-01 15283 1 1 1 1 50 LYS NZ 32.828 M 71.86 52.41 4.5643e-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 15283 1 1 1 1 1 MET MET 0.79 15283 1 1 1 1 1 MET ALA 0.2 15283 1 1 1 1 4 LYS LYS 0.95 15283 1 1 1 1 4 LYS GLY 0.02 15283 1 1 1 1 4 LYS MET 0.01 15283 1 1 1 1 10 LYS LYS 0.52 15283 1 1 1 1 10 LYS GLY 0.41 15283 1 1 1 1 10 LYS MET 0.05 15283 1 1 1 1 13 LYS GLY 0.88 15283 1 1 1 1 13 LYS LYS 0.09 15283 1 1 1 1 13 LYS MET 0.01 15283 1 1 1 1 19 LYS LYS 0.93 15283 1 1 1 1 19 LYS MET 0.04 15283 1 1 1 1 19 LYS GLY 0.01 15283 1 1 1 1 28 LYS LYS 0.94 15283 1 1 1 1 28 LYS MET 0.03 15283 1 1 1 1 28 LYS GLY 0.01 15283 1 1 1 1 31 LYS LYS 0.97 15283 1 1 1 1 31 LYS MET 0.02 15283 1 1 1 1 50 LYS LEU 0.77 15283 1 1 1 1 50 LYS GLY 0.18 15283 1 1 1 1 50 LYS LYS 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15283 _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 15283 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 15283 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15283 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15283 _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_