data_AVS_bmrb_pdb_report_19738 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19738 _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 6 ALY UNSUPPORTED . . . . . . . 19738 1 1 1 1 9 ALY UNSUPPORTED . . . . . . . 19738 1 1 1 1 10 LYS Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 19738 1 1 1 2 43 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 19738 1 1 1 2 110 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19738 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 10 LYS CA 56.2400 . 56.95 2.2 7.4690e-01 19738 1 1 1 1 10 LYS CG 24.6700 . 24.89 1.13 8.4564e-01 19738 1 1 1 1 10 LYS CD 42.0400 A 28.96 1.08 9.2236e-34 19738 1 1 1 1 10 LYS H 8.4930 . 8.19 0.6 6.1356e-01 19738 1 1 1 1 10 LYS HA 4.3790 . 4.27 0.44 8.0435e-01 19738 1 1 1 1 10 LYS HB2 1.8000 . 1.78 0.25 9.3624e-01 19738 1 1 1 1 10 LYS HB3 1.8720 . 1.74 0.27 6.2492e-01 19738 1 1 1 1 10 LYS HG3 1.4660 . 1.35 0.28 6.7866e-01 19738 1 1 1 1 10 LYS HD3 1.7060 . 1.6 0.22 6.2993e-01 19738 1 1 1 1 10 LYS HE3 3.0100 . 2.91 0.2 6.1707e-01 19738 1 1 1 2 43 PRO CA 64.6690 . 63.33 1.52 3.7836e-01 19738 1 1 1 2 43 PRO CB 30.1110 . 31.85 1.18 1.4055e-01 19738 1 1 1 2 43 PRO CG 27.6250 . 27.17 1.09 6.7636e-01 19738 1 1 1 2 43 PRO CD 50.0050 . 50.32 0.99 7.5035e-01 19738 1 1 1 2 43 PRO HA 3.6380 . 4.4 0.33 2.0939e-02 19738 1 1 1 2 43 PRO HB2 -0.3900 A 2.08 0.35 1.6996e-12 19738 1 1 1 2 43 PRO HB3 1.3420 . 2 0.36 6.7583e-02 19738 1 1 1 2 43 PRO HG2 -0.7200 A 1.93 0.31 1.2482e-17 19738 1 1 1 2 43 PRO HG3 0.9810 . 1.9 0.33 5.3553e-03 19738 1 1 1 2 43 PRO HD2 1.5700 S 3.65 0.35 2.8010e-09 19738 1 1 1 2 43 PRO HD3 2.4200 . 3.61 0.39 2.2787e-03 19738 1 1 1 2 110 MET CA 60.4070 . 56.11 2.23 5.3991e-02 19738 1 1 1 2 110 MET CB 32.0000 . 32.99 2.24 6.5851e-01 19738 1 1 1 2 110 MET CG 33.4000 . 32.01 1.24 2.6230e-01 19738 1 1 1 2 110 MET CE 18.6590 . 17.07 1.58 3.1456e-01 19738 1 1 1 2 110 MET H 7.9520 . 8.26 0.6 6.0772e-01 19738 1 1 1 2 110 MET HA 4.0820 . 4.41 0.48 4.9440e-01 19738 1 1 1 2 110 MET HB2 3.0700 . 2.03 0.34 2.2221e-03 19738 1 1 1 2 110 MET HB3 3.3130 A 1.99 0.34 9.9759e-05 19738 1 1 1 2 110 MET HG2 2.6900 . 2.42 0.35 4.4045e-01 19738 1 1 1 2 110 MET HG3 3.0400 . 2.39 0.38 8.7169e-02 19738 1 1 1 2 110 MET HE1 2.2150 . 1.89 0.46 4.7986e-01 19738 1 1 1 2 110 MET HE2 2.2150 . 1.89 0.46 4.7986e-01 19738 1 1 1 2 110 MET HE3 2.2150 . 1.89 0.46 4.7986e-01 19738 1 1 1 2 110 MET N 119.0620 . 120.09 3.57 7.7338e-01 19738 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 10 LYS LEU 0.66 19738 1 1 1 1 10 LYS CYS 0.23 19738 1 1 1 1 10 LYS ARG 0.07 19738 1 1 1 1 10 LYS ILE 0.01 19738 1 1 1 2 43 PRO PRO 0.77 19738 1 1 1 2 43 PRO CYS 0.22 19738 1 1 1 2 110 MET CYS 0.8 19738 1 1 1 2 110 MET MET 0.18 19738 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19738 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 19738 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19738 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19738 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19738 _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_