data_AVS_bmrb_pdb_report_16729 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16729 _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 87 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16729 1 1 1 1 90 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16729 1 1 1 1 95 VAL Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16729 1 1 1 1 225 VAL Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16729 1 1 1 1 245 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16729 1 1 1 1 268 ILE Anomalous Suspicious Consistent Consistent Anomalous Suspicious . . 16729 1 1 1 1 271 LEU Anomalous Suspicious Consistent Consistent Anomalous Suspicious . . 16729 1 1 1 1 338 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16729 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 87 LEU C 180.396 . 176.99 1.98 8.5396e-02 16729 1 1 1 1 87 LEU CA 54.589 . 55.62 2.13 6.2836e-01 16729 1 1 1 1 87 LEU CB 18.043 A 42.31 1.88 4.0581e-38 16729 1 1 1 1 87 LEU H 7.687 . 8.23 0.65 4.0350e-01 16729 1 1 1 1 87 LEU N 121.496 . 121.86 3.9 9.2564e-01 16729 1 1 1 1 90 LEU C 174.667 . 176.99 1.98 2.4070e-01 16729 1 1 1 1 90 LEU CA 45.864 A 55.62 2.13 4.6435e-06 16729 1 1 1 1 90 LEU H 7.940 . 8.23 0.65 6.5549e-01 16729 1 1 1 1 90 LEU N 111.004 . 121.86 3.9 5.3761e-03 16729 1 1 1 1 95 VAL C 180.672 . 175.62 1.9 7.8385e-03 16729 1 1 1 1 95 VAL CA 55.392 . 62.49 2.86 1.3071e-02 16729 1 1 1 1 95 VAL CB 17.208 A 32.73 1.79 4.2643e-18 16729 1 1 1 1 95 VAL H 8.851 . 8.29 0.67 4.0242e-01 16729 1 1 1 1 95 VAL N 124.594 . 121.14 4.54 4.4678e-01 16729 1 1 1 1 225 VAL C 181.286 . 175.62 1.9 2.8627e-03 16729 1 1 1 1 225 VAL CA 54.760 . 62.49 2.86 6.8759e-03 16729 1 1 1 1 225 VAL CB 17.675 A 32.73 1.79 4.0787e-17 16729 1 1 1 1 225 VAL H 8.382 . 8.29 0.67 8.9078e-01 16729 1 1 1 1 225 VAL N 118.400 . 121.14 4.54 5.4616e-01 16729 1 1 1 1 245 LEU CA 46.194 A 55.62 2.13 9.6285e-06 16729 1 1 1 1 245 LEU H 8.123 . 8.23 0.65 8.6925e-01 16729 1 1 1 1 245 LEU N 116.796 . 121.86 3.9 1.9413e-01 16729 1 1 1 1 268 ILE C 171.774 . 175.85 1.92 3.3761e-02 16729 1 1 1 1 268 ILE CA 42.819 A 61.61 2.68 2.3566e-12 16729 1 1 1 1 268 ILE H 7.040 . 8.28 0.68 6.8223e-02 16729 1 1 1 1 268 ILE N 104.054 S 121.46 4.28 4.7659e-05 16729 1 1 1 1 271 LEU C 175.510 . 176.99 1.98 4.5478e-01 16729 1 1 1 1 271 LEU CA 43.813 A 55.62 2.13 2.9701e-08 16729 1 1 1 1 271 LEU H 8.243 . 8.23 0.65 9.8404e-01 16729 1 1 1 1 271 LEU N 106.522 S 121.86 3.9 8.3955e-05 16729 1 1 1 1 338 LYS C 175.398 . 176.64 2 5.3460e-01 16729 1 1 1 1 338 LYS CA 55.457 . 56.95 2.2 4.9737e-01 16729 1 1 1 1 338 LYS CB 28.834 . 32.79 1.78 2.6251e-02 16729 1 1 1 1 338 LYS H 64.423 A 8.19 0.6 0.0000e+00 16729 1 1 1 1 338 LYS N 120.938 . 121.05 3.77 9.7630e-01 16729 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 87 LEU ALA 0.48 16729 1 1 1 1 87 LEU MET 0.47 16729 1 1 1 1 87 LEU ILE 0.02 16729 1 1 1 1 87 LEU CYS 0.02 16729 1 1 1 1 90 LEU GLY 0.94 16729 1 1 1 1 90 LEU CYS 0.03 16729 1 1 1 1 95 VAL MET 0.69 16729 1 1 1 1 95 VAL ALA 0.23 16729 1 1 1 1 95 VAL ILE 0.04 16729 1 1 1 1 95 VAL CYS 0.01 16729 1 1 1 1 225 VAL MET 0.55 16729 1 1 1 1 225 VAL ALA 0.39 16729 1 1 1 1 225 VAL ILE 0.02 16729 1 1 1 1 225 VAL CYS 0.01 16729 1 1 1 1 245 LEU GLY 0.94 16729 1 1 1 1 245 LEU CYS 0.04 16729 1 1 1 1 268 ILE LEU 0.32 16729 1 1 1 1 268 ILE ARG 0.28 16729 1 1 1 1 268 ILE LYS 0.1 16729 1 1 1 1 268 ILE ASP 0.09 16729 1 1 1 1 268 ILE PHE 0.07 16729 1 1 1 1 268 ILE TYR 0.04 16729 1 1 1 1 268 ILE CYS 0.03 16729 1 1 1 1 268 ILE GLY 0.02 16729 1 1 1 1 271 LEU ARG 0.46 16729 1 1 1 1 271 LEU GLY 0.25 16729 1 1 1 1 271 LEU ASP 0.07 16729 1 1 1 1 271 LEU PHE 0.06 16729 1 1 1 1 271 LEU CYS 0.06 16729 1 1 1 1 271 LEU TYR 0.03 16729 1 1 1 1 271 LEU LYS 0.01 16729 1 1 1 1 271 LEU ILE 0.01 16729 1 1 1 1 338 LYS GLN 0.2 16729 1 1 1 1 338 LYS HIS 0.16 16729 1 1 1 1 338 LYS TRP 0.13 16729 1 1 1 1 338 LYS CYS 0.13 16729 1 1 1 1 338 LYS GLU 0.12 16729 1 1 1 1 338 LYS ARG 0.11 16729 1 1 1 1 338 LYS LEU 0.04 16729 1 1 1 1 338 LYS MET 0.04 16729 1 1 1 1 338 LYS LYS 0.01 16729 1 1 1 1 338 LYS ILE 0.01 16729 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16729 _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 16729 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16729 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16729 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16729 _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_