data_AVS_bmrb_pdb_report_15134 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15134 _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 15134 1 1 1 1 47 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15134 1 1 1 1 48 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 15134 1 1 1 1 47 ARG C 176.85 . 176.49 2.16 8.6763e-01 15134 1 1 1 1 47 ARG CA 54.79 . 56.95 2.41 3.7011e-01 15134 1 1 1 1 47 ARG CB 32.55 . 30.66 1.77 2.8561e-01 15134 1 1 1 1 47 ARG CG 25.89 . 27.31 1.65 3.8946e-01 15134 1 1 1 1 47 ARG CD 43.18 . 43.1 1.1 9.4202e-01 15134 1 1 1 1 47 ARG H 8.60 . 8.24 0.6 5.4851e-01 15134 1 1 1 1 47 ARG HA 4.73 . 4.27 0.44 2.9581e-01 15134 1 1 1 1 47 ARG HB2 -0.76 M 1.79 0.28 8.4580e-20 15134 1 1 1 1 47 ARG HB3 0.50 S 1.78 0.28 4.8441e-06 15134 1 1 1 1 47 ARG HG2 0.53 S 1.58 0.27 1.0070e-04 15134 1 1 1 1 47 ARG HG3 1.16 . 1.58 0.27 1.1981e-01 15134 1 1 1 1 47 ARG HD2 2.90 . 3.13 0.23 3.1731e-01 15134 1 1 1 1 47 ARG HD3 1.26 S 3.13 0.22 1.8959e-17 15134 1 1 1 1 47 ARG HE 5.86 . 7.32 0.52 4.9898e-03 15134 1 1 1 1 47 ARG N 126.99 . 120.61 3.9 1.0186e-01 15134 1 1 1 1 48 GLN C 175.13 . 176.39 1.96 5.2032e-01 15134 1 1 1 1 48 GLN CA 57.22 . 56.62 2.19 7.8411e-01 15134 1 1 1 1 48 GLN CB 30.80 . 29.1 1.97 3.8817e-01 15134 1 1 1 1 48 GLN CG 36.90 . 33.72 1.1 3.8413e-03 15134 1 1 1 1 48 GLN H 9.41 . 8.22 0.62 5.4940e-02 15134 1 1 1 1 48 GLN HA 4.23 . 4.28 0.44 9.0953e-01 15134 1 1 1 1 48 GLN HB2 1.73 . 2.05 0.28 2.5310e-01 15134 1 1 1 1 48 GLN HB3 2.95 . 2.04 0.29 1.7014e-03 15134 1 1 1 1 48 GLN HG2 2.47 . 2.32 0.29 6.0499e-01 15134 1 1 1 1 48 GLN HG3 1.96 . 2.32 0.29 2.1447e-01 15134 1 1 1 1 48 GLN HE21 9.51 M 7.17 0.46 3.6386e-07 15134 1 1 1 1 48 GLN HE22 7.04 . 7.07 0.49 9.5118e-01 15134 1 1 1 1 48 GLN N 128.67 . 119.92 4.01 2.9106e-02 15134 1 1 1 1 48 GLN NE2 119.00 . 111.81 2.2 1.0824e-03 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 15134 1 1 1 1 47 ARG ARG 0.49 15134 1 1 1 1 47 ARG LYS 0.39 15134 1 1 1 1 47 ARG GLY 0.1 15134 1 1 1 1 48 GLN GLU 0.63 15134 1 1 1 1 48 GLN MET 0.16 15134 1 1 1 1 48 GLN ILE 0.12 15134 1 1 1 1 48 GLN LYS 0.05 15134 1 1 1 1 48 GLN GLN 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15134 _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 15134 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 15134 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15134 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15134 _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_