data_AVS_bmrb_pdb_report_6185 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6185 _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 6185 1 1 1 1 27 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6185 1 1 1 1 29 GLN Anomalous Consistent Consistent Consistent 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 6185 1 1 1 1 27 VAL CA 64.312 . 62.48 3.04 5.4675e-01 6185 1 1 1 1 27 VAL CB 31.039 . 32.66 1.91 3.9605e-01 6185 1 1 1 1 27 VAL CG1 20.508 . 21.38 1.53 5.6872e-01 6185 1 1 1 1 27 VAL CG2 21.933 . 21.31 1.76 7.2336e-01 6185 1 1 1 1 27 VAL H 6.625 . 8.29 0.71 1.9023e-02 6185 1 1 1 1 27 VAL HA 1.696 M 4.16 0.57 1.5406e-05 6185 1 1 1 1 27 VAL HB 1.600 . 1.99 0.33 2.3728e-01 6185 1 1 1 1 27 VAL HG1 0.346 . 0.84 0.27 6.7306e-02 6185 1 1 1 1 27 VAL HG2 0.185 . 0.83 0.29 2.6139e-02 6185 1 1 1 1 27 VAL N 116.440 . 121.02 4.96 3.5581e-01 6185 1 1 1 1 29 GLN CA 55.966 . 56.62 2.19 7.6522e-01 6185 1 1 1 1 29 GLN CB 29.298 . 29.1 1.97 9.1994e-01 6185 1 1 1 1 29 GLN CG 34.301 . 33.72 1.1 5.9737e-01 6185 1 1 1 1 29 GLN H 7.218 . 8.22 0.62 1.0607e-01 6185 1 1 1 1 29 GLN HA 4.230 . 4.28 0.44 9.0953e-01 6185 1 1 1 1 29 GLN HB2 2.060 . 2.05 0.28 9.7151e-01 6185 1 1 1 1 29 GLN HB3 2.306 . 2.04 0.29 3.5902e-01 6185 1 1 1 1 29 GLN HG2 2.469 . 2.32 0.29 6.0740e-01 6185 1 1 1 1 29 GLN HG3 2.543 . 2.32 0.29 4.4191e-01 6185 1 1 1 1 29 GLN HE21 7.408 . 7.17 0.46 6.0488e-01 6185 1 1 1 1 29 GLN HE22 6.870 . 7.07 0.49 6.8315e-01 6185 1 1 1 1 29 GLN N 116.268 . 119.92 4.01 3.6244e-01 6185 1 1 1 1 29 GLN NE2 11.964 M 111.81 2.2 0.0000e+00 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 6185 1 1 1 1 27 VAL VAL 0.99 6185 1 1 1 1 29 GLN GLN 0.34 6185 1 1 1 1 29 GLN LYS 0.29 6185 1 1 1 1 29 GLN GLU 0.21 6185 1 1 1 1 29 GLN MET 0.09 6185 1 1 1 1 29 GLN ARG 0.04 6185 1 1 1 1 29 GLN ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6185 _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 6185 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 6185 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6185 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6185 _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_