data_AVS_bmrb_pdb_report_15509 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15509 _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 15509 1 1 1 1 56 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15509 1 1 1 1 57 VAL 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 15509 1 1 1 1 56 GLN C 174.0 . 176.39 1.96 2.2270e-01 15509 1 1 1 1 56 GLN CA 55.5 . 56.62 2.19 6.0906e-01 15509 1 1 1 1 56 GLN CB 27.9 . 29.1 1.97 5.4243e-01 15509 1 1 1 1 56 GLN CG 35.1 . 33.72 1.1 2.0964e-01 15509 1 1 1 1 56 GLN H 8.83 . 8.22 0.62 3.2518e-01 15509 1 1 1 1 56 GLN HA 3.50 . 4.28 0.44 7.6274e-02 15509 1 1 1 1 56 GLN HB2 -1.14 M 2.05 0.28 4.5386e-30 15509 1 1 1 1 56 GLN HB3 1.35 . 2.04 0.29 1.7345e-02 15509 1 1 1 1 56 GLN HG2 0.44 S 2.32 0.29 9.0061e-11 15509 1 1 1 1 56 GLN HG3 1.03 S 2.32 0.29 8.6562e-06 15509 1 1 1 1 56 GLN HE21 6.56 . 7.17 0.46 1.8481e-01 15509 1 1 1 1 56 GLN HE22 7.25 . 7.07 0.49 7.1336e-01 15509 1 1 1 1 56 GLN N 129.0 . 119.92 4.01 2.3553e-02 15509 1 1 1 1 56 GLN NE2 113.0 . 111.81 2.2 5.8857e-01 15509 1 1 1 1 57 VAL C 173.5 . 175.69 2.03 2.8067e-01 15509 1 1 1 1 57 VAL CA 59.4 . 62.48 3.04 3.1098e-01 15509 1 1 1 1 57 VAL CB 36.4 . 32.66 1.91 5.0217e-02 15509 1 1 1 1 57 VAL CG1 18.7 . 21.38 1.53 7.9837e-02 15509 1 1 1 1 57 VAL CG2 22.5 . 21.31 1.76 4.9895e-01 15509 1 1 1 1 57 VAL H 7.45 . 8.29 0.71 2.3677e-01 15509 1 1 1 1 57 VAL HA 4.22 . 4.16 0.57 9.1617e-01 15509 1 1 1 1 57 VAL HB 1.16 . 1.99 0.33 1.1898e-02 15509 1 1 1 1 57 VAL HG1 -1.18 M 0.84 0.27 7.3489e-14 15509 1 1 1 1 57 VAL HG2 0.57 . 0.83 0.29 3.6996e-01 15509 1 1 1 1 57 VAL N 129.4 . 121.02 4.96 9.1121e-02 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 15509 1 1 1 1 56 GLN GLN 0.31 15509 1 1 1 1 56 GLN LYS 0.31 15509 1 1 1 1 56 GLN GLU 0.27 15509 1 1 1 1 56 GLN ARG 0.04 15509 1 1 1 1 56 GLN ILE 0.03 15509 1 1 1 1 56 GLN MET 0.01 15509 1 1 1 1 57 VAL ILE 0.57 15509 1 1 1 1 57 VAL VAL 0.37 15509 1 1 1 1 57 VAL ALA 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15509 _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 15509 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 15509 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15509 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15509 _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_