data_AVS_bmrb_pdb_report_19716 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19716 _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 1 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 19716 1 1 1 1 9 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CE" 0.9995 19716 1 1 1 1 20 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CG" 1.0000 19716 1 1 1 1 23 LEU Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9997 19716 1 1 1 1 23 LEU . . . . . . "CA > CD2" 0.9996 19716 1 1 1 1 23 LEU . . . . . . "CB > CD2" 0.9996 19716 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 19716 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 1 LYS CA 28.3826 A 56.95 2.2 1.4849e-38 19716 1 1 1 1 1 LYS CB 33.6298 . 32.79 1.78 6.3707e-01 19716 1 1 1 1 1 LYS CG 24.7879 . 24.89 1.13 9.2801e-01 19716 1 1 1 1 1 LYS H 8.4442 . 8.19 0.6 6.7181e-01 19716 1 1 1 1 1 LYS HA 4.3287 . 4.27 0.44 8.9387e-01 19716 1 1 1 1 1 LYS HB2 1.7139 . 1.78 0.25 7.9147e-01 19716 1 1 1 1 1 LYS HB3 1.3657 . 1.74 0.27 1.6566e-01 19716 1 1 1 1 1 LYS HG2 1.4075 . 1.37 0.26 8.8532e-01 19716 1 1 1 1 1 LYS HG3 1.4099 . 1.35 0.28 8.3060e-01 19716 1 1 1 1 1 LYS HD2 1.7170 . 1.61 0.22 6.2671e-01 19716 1 1 1 1 1 LYS HE2 2.9744 . 2.92 0.19 7.7464e-01 19716 1 1 1 1 1 LYS N 123.3586 . 121.05 3.77 5.4030e-01 19716 1 1 1 1 9 LYS CA 30.6809 A 56.95 2.2 7.2784e-33 19716 1 1 1 1 9 LYS CB 29.3794 . 32.79 1.78 5.5357e-02 19716 1 1 1 1 9 LYS CG 25.4130 . 24.89 1.13 6.4348e-01 19716 1 1 1 1 9 LYS CE 42.1216 . 41.89 0.82 7.7761e-01 19716 1 1 1 1 9 LYS H 7.7784 . 8.19 0.6 4.9271e-01 19716 1 1 1 1 9 LYS HA 4.3125 . 4.27 0.44 9.2305e-01 19716 1 1 1 1 9 LYS HB2 2.2010 . 1.78 0.25 9.2182e-02 19716 1 1 1 1 9 LYS HB3 2.0314 . 1.74 0.27 2.8047e-01 19716 1 1 1 1 9 LYS HG2 1.3331 . 1.37 0.26 8.8714e-01 19716 1 1 1 1 9 LYS HD2 1.6564 . 1.61 0.22 8.3296e-01 19716 1 1 1 1 9 LYS HE2 2.9324 . 2.92 0.19 9.4796e-01 19716 1 1 1 1 9 LYS N 117.4516 . 121.05 3.77 3.3984e-01 19716 1 1 1 1 20 LYS CA 30.6971 A 56.95 2.2 7.9520e-33 19716 1 1 1 1 20 LYS CG 52.0289 A 24.89 1.13 0.0000e+00 19716 1 1 1 1 20 LYS H 7.4792 . 8.19 0.6 2.3615e-01 19716 1 1 1 1 20 LYS HA 4.0972 . 4.27 0.44 6.9452e-01 19716 1 1 1 1 20 LYS HB2 1.8674 . 1.78 0.25 7.2664e-01 19716 1 1 1 1 20 LYS HG2 1.4384 . 1.37 0.26 7.9249e-01 19716 1 1 1 1 20 LYS HD2 1.6899 . 1.61 0.22 7.1647e-01 19716 1 1 1 1 20 LYS HE2 3.0115 . 2.92 0.19 6.3010e-01 19716 1 1 1 1 20 LYS N 120.5321 . 121.05 3.77 8.9074e-01 19716 1 1 1 1 23 LEU CA 27.0941 A 55.62 2.13 6.6944e-41 19716 1 1 1 1 23 LEU CB 42.5382 . 42.31 1.88 9.0339e-01 19716 1 1 1 1 23 LEU CG 27.0551 . 26.78 1.1 8.0252e-01 19716 1 1 1 1 23 LEU CD1 25.0616 . 24.72 1.59 8.2989e-01 19716 1 1 1 1 23 LEU CD2 51.1998 A 24.05 1.7 2.0523e-57 19716 1 1 1 1 23 LEU H 8.1699 . 8.23 0.65 9.2633e-01 19716 1 1 1 1 23 LEU HA 4.4252 . 4.32 0.47 8.2289e-01 19716 1 1 1 1 23 LEU HB2 1.6543 . 1.61 0.34 8.9633e-01 19716 1 1 1 1 23 LEU HG 1.6551 . 1.51 0.33 6.6016e-01 19716 1 1 1 1 23 LEU HD11 0.8576 . 0.75 0.28 7.0077e-01 19716 1 1 1 1 23 LEU HD12 0.8576 . 0.75 0.28 7.0077e-01 19716 1 1 1 1 23 LEU HD13 0.8576 . 0.75 0.28 7.0077e-01 19716 1 1 1 1 23 LEU HD21 0.8561 . 0.73 0.29 6.6369e-01 19716 1 1 1 1 23 LEU HD22 0.8561 . 0.73 0.29 6.6369e-01 19716 1 1 1 1 23 LEU HD23 0.8561 . 0.73 0.29 6.6369e-01 19716 1 1 1 1 23 LEU N 123.0899 . 121.86 3.9 7.5249e-01 19716 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 1 LYS LEU 0.84 19716 1 1 1 1 1 LYS VAL 0.15 19716 1 1 1 1 9 LYS GLY 0.97 19716 1 1 1 1 9 LYS LEU 0.02 19716 1 1 1 1 20 LYS CYS 0.24 19716 1 1 1 1 20 LYS HIS 0.22 19716 1 1 1 1 20 LYS PRO 0.21 19716 1 1 1 1 20 LYS ARG 0.18 19716 1 1 1 1 20 LYS TRP 0.13 19716 1 1 1 1 23 LEU CYS 0.48 19716 1 1 1 1 23 LEU ARG 0.25 19716 1 1 1 1 23 LEU GLY 0.25 19716 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19716 _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 19716 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19716 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19716 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19716 _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_