data_AVS_bmrb_pdb_report_11304 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11304 _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 53 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11304 1 1 1 1 57 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11304 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 53 GLN C 173.164 . 176.39 1.96 9.9781e-02 11304 1 1 1 1 53 GLN CA 54.935 . 56.62 2.19 4.4165e-01 11304 1 1 1 1 53 GLN CB 32.670 . 29.1 1.97 6.9958e-02 11304 1 1 1 1 53 GLN CG 35.172 . 33.72 1.1 1.8683e-01 11304 1 1 1 1 53 GLN H 9.574 . 8.22 0.62 2.8972e-02 11304 1 1 1 1 53 GLN HA 5.023 . 4.28 0.44 9.1289e-02 11304 1 1 1 1 53 GLN HB2 1.841 . 2.05 0.28 4.5541e-01 11304 1 1 1 1 53 GLN HB3 1.808 . 2.04 0.29 4.2371e-01 11304 1 1 1 1 53 GLN HG2 2.390 . 2.32 0.29 8.0926e-01 11304 1 1 1 1 53 GLN HG3 2.101 . 2.32 0.29 4.5015e-01 11304 1 1 1 1 53 GLN HE21 9.317 A 7.17 0.46 3.0505e-06 11304 1 1 1 1 53 GLN HE22 6.704 . 7.07 0.49 4.5510e-01 11304 1 1 1 1 53 GLN N 123.436 . 119.92 4.01 3.8059e-01 11304 1 1 1 1 53 GLN NE2 116.096 . 111.81 2.2 5.1393e-02 11304 1 1 1 1 57 LYS C 174.659 . 176.46 2.05 3.7965e-01 11304 1 1 1 1 57 LYS CA 55.424 . 56.84 2.25 5.2913e-01 11304 1 1 1 1 57 LYS CB 37.017 . 32.83 1.88 2.5939e-02 11304 1 1 1 1 57 LYS CG 20.675 . 24.91 1.31 1.2257e-03 11304 1 1 1 1 57 LYS CD 27.965 . 28.78 1.39 5.5765e-01 11304 1 1 1 1 57 LYS CE 40.846 . 41.78 0.98 3.4056e-01 11304 1 1 1 1 57 LYS H 9.019 . 8.22 0.64 2.1187e-01 11304 1 1 1 1 57 LYS HA 4.771 . 4.28 0.45 2.7522e-01 11304 1 1 1 1 57 LYS HB2 1.316 . 1.79 0.25 5.7960e-02 11304 1 1 1 1 57 LYS HB3 1.037 . 1.78 0.26 4.2673e-03 11304 1 1 1 1 57 LYS HG2 0.506 . 1.38 0.27 1.2078e-03 11304 1 1 1 1 57 LYS HG3 -0.051 S 1.37 0.29 9.5837e-07 11304 1 1 1 1 57 LYS HD2 0.293 A 1.61 0.25 1.3792e-07 11304 1 1 1 1 57 LYS HD3 -0.911 A 1.61 0.25 6.5024e-24 11304 1 1 1 1 57 LYS HE2 2.170 S 2.93 0.2 1.4470e-04 11304 1 1 1 1 57 LYS HE3 1.562 S 2.93 0.2 7.9193e-12 11304 1 1 1 1 57 LYS N 124.915 . 121.16 4.11 3.6091e-01 11304 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 53 GLN MET 0.59 11304 1 1 1 1 53 GLN GLU 0.26 11304 1 1 1 1 53 GLN GLN 0.11 11304 1 1 1 1 53 GLN LYS 0.01 11304 1 1 1 1 57 LYS ALA 0.94 11304 1 1 1 1 57 LYS MET 0.03 11304 1 1 1 1 57 LYS LYS 0.01 11304 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11304 _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 11304 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11304 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11304 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11304 _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_