data_AVS_bmrb_pdb_report_17716 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17716 _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 18 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17716 1 1 1 1 27 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17716 1 1 1 2 1 CU1 UNSUPPORTED . . . . . . . 17716 1 1 1 3 1 CU UNSUPPORTED . . . . . . . 17716 1 1 1 4 1 HOH UNSUPPORTED . . . . . . . 17716 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 18 VAL C 183.445 A 175.69 2.03 1.3335e-04 17716 1 1 1 1 18 VAL CA 58.679 . 62.48 3.04 2.1118e-01 17716 1 1 1 1 18 VAL CB 34.509 . 32.66 1.91 3.3301e-01 17716 1 1 1 1 18 VAL CG1 23.578 . 21.38 1.53 1.5083e-01 17716 1 1 1 1 18 VAL CG2 20.187 . 21.31 1.76 5.2343e-01 17716 1 1 1 1 18 VAL H 8.580 . 8.29 0.71 6.8294e-01 17716 1 1 1 1 18 VAL HA 5.015 . 4.16 0.57 1.3361e-01 17716 1 1 1 1 18 VAL HB 1.828 . 1.99 0.33 6.2349e-01 17716 1 1 1 1 18 VAL HG11 0.912 . 0.84 0.27 7.8973e-01 17716 1 1 1 1 18 VAL HG12 0.912 . 0.84 0.27 7.8973e-01 17716 1 1 1 1 18 VAL HG13 0.912 . 0.84 0.27 7.8973e-01 17716 1 1 1 1 18 VAL HG21 0.984 . 0.83 0.29 5.9539e-01 17716 1 1 1 1 18 VAL HG22 0.984 . 0.83 0.29 5.9539e-01 17716 1 1 1 1 18 VAL HG23 0.984 . 0.83 0.29 5.9539e-01 17716 1 1 1 1 18 VAL N 117.543 . 121.02 4.96 4.8330e-01 17716 1 1 1 1 27 GLY C 183.552 A 174.04 1.94 9.4339e-07 17716 1 1 1 1 27 GLY CA 44.461 . 45.33 1.42 5.4056e-01 17716 1 1 1 1 27 GLY H 9.063 . 8.34 0.74 3.2856e-01 17716 1 1 1 1 27 GLY HA2 4.820 . 3.95 0.4 2.9630e-02 17716 1 1 1 1 27 GLY HA3 3.412 . 3.93 0.4 1.9532e-01 17716 1 1 1 1 27 GLY N 104.570 . 109.91 4.29 2.1322e-01 17716 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 18 VAL CYS 0.73 17716 1 1 1 1 18 VAL VAL 0.22 17716 1 1 1 1 18 VAL ILE 0.02 17716 1 1 1 1 18 VAL ALA 0.01 17716 1 1 1 1 27 GLY GLY 0.44 17716 1 1 1 1 27 GLY LEU 0.21 17716 1 1 1 1 27 GLY ARG 0.17 17716 1 1 1 1 27 GLY CYS 0.1 17716 1 1 1 1 27 GLY PHE 0.02 17716 1 1 1 1 27 GLY ASP 0.01 17716 1 1 1 1 27 GLY TYR 0.01 17716 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17716 _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 17716 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17716 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17716 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17716 _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_